#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f91 s LYS 2 N 0.00 4.67 0.15 2.12 1.02 -1.26 -5.05 119.74 121.39 1f91 s LYS 2 Ca 0.00 1.37 -0.16 0.00 0.02 0.00 0.00 55.97 57.20 1f91 s LYS 2 Cb 0.00 -3.36 -0.07 0.00 -0.52 0.00 0.00 37.83 33.88 1f91 s LYS 2 CO 0.00 0.28 0.58 1.03 -0.92 0.00 0.00 175.35 176.32 1f91 s ARG 3 N -0.21 4.04 -0.07 1.68 0.52 -1.26 -4.68 118.95 118.99 1f91 s ARG 3 Ca 0.44 0.57 0.05 0.00 -0.52 0.00 0.00 55.73 56.28 1f91 s ARG 3 Cb -0.23 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 1f91 s ARG 3 CO 0.29 0.49 -0.24 0.08 0.02 0.00 0.00 175.30 175.94 1f91 s VAL 4 N -1.43 1.97 0.29 3.52 1.01 -1.26 -0.57 120.40 123.93 1f91 s VAL 4 Ca 0.37 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.39 1f91 s VAL 4 Cb -0.16 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 1f91 s VAL 4 CO 0.19 0.55 0.02 0.68 0.00 0.00 0.00 175.10 176.54 1f91 s VAL 5 N 0.01 1.19 -0.20 2.92 -7.23 0.07 -0.86 120.40 116.29 1f91 s VAL 5 Ca -0.08 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.04 1f91 s VAL 5 Cb -0.15 -2.60 -0.00 0.00 0.56 0.00 0.00 36.38 34.19 1f91 s VAL 5 CO 0.05 -0.14 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.98 1f91 s ILE 6 N -3.31 3.11 -0.39 -0.62 1.01 -0.33 -0.57 121.20 120.11 1f91 s ILE 6 Ca 0.33 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.43 1f91 s ILE 6 Cb 0.07 -2.39 0.08 0.00 0.01 0.00 0.00 42.46 40.23 1f91 s ILE 6 CO 0.13 0.46 0.92 0.35 0.00 0.00 0.00 174.94 176.80 1f91 n THR 7 N 4.59 0.64 -3.56 2.92 -2.24 -0.65 -1.34 114.28 114.64 1f91 n THR 7 Ca -0.19 -0.82 -0.12 0.00 -2.27 0.00 0.00 64.05 60.65 1f91 n THR 7 Cb 0.51 0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 69.40 1f91 n THR 7 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1f91 s GLY 8 N -0.76 -0.35 0.02 3.38 0.00 -1.26 -3.96 107.32 104.40 1f91 s GLY 8 Ca 0.07 1.82 -0.14 0.00 0.00 0.00 0.00 44.72 46.47 1f91 s GLY 8 CO 0.05 0.98 0.31 0.48 0.00 0.00 0.00 173.10 174.92 1f91 s LEU 9 N -1.19 0.86 0.01 0.66 0.05 -1.26 -0.97 118.68 116.84 1f91 s LEU 9 Ca -0.03 -0.10 -0.09 0.00 0.05 0.00 0.00 54.13 53.96 1f91 s LEU 9 Cb -0.00 1.33 0.00 0.00 -2.05 0.00 0.00 46.19 45.47 1f91 s LEU 9 CO 0.03 -0.56 0.17 -0.83 -0.55 0.00 0.00 176.35 174.61 1f91 s GLY 10 N -1.82 0.02 -0.26 -3.48 0.00 -0.53 -3.49 107.32 97.75 1f91 s GLY 10 Ca -0.08 -0.11 -0.25 0.00 0.00 0.00 0.00 44.72 44.28 1f91 s GLY 10 CO -0.01 -0.27 0.78 -1.50 0.00 0.00 0.00 173.10 172.10 1f91 s ILE 11 N -1.67 0.00 -0.27 0.90 2.07 -1.26 -2.10 121.20 118.87 1f91 s ILE 11 Ca -0.12 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.11 1f91 s ILE 11 Cb -0.06 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.61 1f91 s ILE 11 CO 0.01 0.00 0.04 -0.69 -1.91 0.00 0.00 174.94 172.39 1f91 s VAL 12 N 0.28 1.05 0.33 4.00 1.01 -0.37 -2.85 120.40 123.85 1f91 s VAL 12 Ca 0.00 -1.23 0.05 0.00 0.00 0.00 0.00 61.98 60.80 1f91 s VAL 12 Cb -0.05 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1f91 s VAL 12 CO 0.00 -0.43 0.22 -0.94 0.00 0.00 0.00 175.10 173.95 1f91 s SER 13 N 1.57 1.68 0.62 3.32 1.04 0.20 -0.61 113.70 121.52 1f91 s SER 13 Ca 0.04 -1.67 0.38 0.00 0.48 0.00 0.00 55.95 55.18 1f91 s SER 13 Cb -0.18 0.50 2.09 0.00 0.10 0.00 0.00 66.02 68.54 1f91 s SER 13 CO -0.15 -0.99 2.29 0.77 0.98 0.00 0.00 173.24 176.14 1f91 h SER 14 N 2.14 0.00 -0.36 7.02 4.64 -1.75 -2.38 113.55 122.86 1f91 h SER 14 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1f91 h SER 14 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1f91 h SER 14 CO 0.44 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 178.72 1f91 n ILE 15 N -3.37 1.77 0.00 0.95 -5.35 -1.26 -4.51 119.36 107.58 1f91 n ILE 15 Ca -0.03 -1.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.01 1f91 n ILE 15 Cb 0.10 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 1f91 n ILE 15 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1f91 n GLY 16 N 0.14 3.49 1.30 3.28 0.00 -0.90 -3.84 105.19 108.66 1f91 n GLY 16 Ca 0.19 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1f91 n GLY 16 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f91 n ASN 17 N 0.00 3.83 -3.62 1.61 3.02 -1.26 -0.63 115.26 118.21 1f91 n ASN 17 Ca 0.00 -2.00 -0.04 0.00 -0.03 0.00 0.00 54.58 52.52 1f91 n ASN 17 Cb 0.00 -0.43 -0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1f91 n ASN 17 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1f91 s ASN 18 N -1.12 -0.12 0.46 6.41 6.03 -1.13 -4.60 114.94 120.86 1f91 s ASN 18 Ca 0.46 -0.52 0.19 0.00 -1.03 0.00 0.00 52.86 51.96 1f91 s ASN 18 Cb 0.25 0.52 1.11 0.00 -3.03 0.00 0.00 41.25 40.09 1f91 s ASN 18 CO 0.33 -0.98 1.99 0.06 -2.03 0.00 0.00 177.10 176.46 1f91 h GLN 19 N 2.00 0.00 -0.47 3.55 3.07 -1.93 -1.74 115.11 119.59 1f91 h GLN 19 Ca -0.25 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.40 1f91 h GLN 19 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.77 1f91 h GLN 19 CO 0.29 0.20 -0.03 1.96 0.09 0.00 0.00 178.83 181.33 1f91 h GLN 20 N 0.00 0.86 -0.22 0.06 7.50 -1.98 -0.56 115.11 120.76 1f91 h GLN 20 Ca -0.00 -0.29 -0.18 0.00 0.50 0.00 0.00 58.65 58.68 1f91 h GLN 20 Cb 0.40 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.86 1f91 h GLN 20 CO 0.03 0.92 -0.55 0.93 -1.50 0.00 0.00 178.83 178.66 1f91 h GLU 21 N 0.71 0.77 -0.47 1.46 5.08 -1.84 -2.70 114.58 117.59 1f91 h GLU 21 Ca 0.13 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1f91 h GLU 21 Cb 0.55 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1f91 h GLU 21 CO 0.03 1.15 0.27 0.28 -1.00 0.00 0.00 179.01 179.74 1f91 h VAL 22 N 0.50 1.15 -0.26 3.13 2.07 -1.27 -1.82 116.25 119.76 1f91 h VAL 22 Ca -0.00 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.20 1f91 h VAL 22 Cb 1.16 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1f91 h VAL 22 CO 0.12 0.16 -0.03 0.25 0.02 0.00 0.00 177.57 178.09 1f91 h LEU 23 N 0.63 -0.16 -0.41 2.57 5.85 -1.08 0.11 115.31 122.82 1f91 h LEU 23 Ca 0.17 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1f91 h LEU 23 Cb 0.02 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1f91 h LEU 23 CO -0.03 -0.05 0.24 0.00 -0.34 0.00 0.00 178.44 178.26 1f91 h ALA 24 N 1.24 0.52 -0.17 1.25 0.00 -1.22 -1.47 119.26 119.40 1f91 h ALA 24 Ca 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1f91 h ALA 24 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1f91 h ALA 24 CO -0.23 -0.10 0.11 0.77 0.00 0.00 0.00 179.25 179.80 1f91 h SER 25 N 0.48 0.21 -0.80 0.00 0.02 -0.81 -1.65 113.55 111.00 1f91 h SER 25 Ca 0.17 -0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.15 1f91 h SER 25 Cb 0.02 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 1f91 h SER 25 CO -0.08 0.18 0.48 -0.07 -1.14 0.00 0.00 176.83 176.20 1f91 h LEU 26 N 0.22 0.74 -1.00 5.07 3.38 -0.45 0.10 115.31 123.37 1f91 h LEU 26 Ca 0.06 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1f91 h LEU 26 Cb 0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1f91 h LEU 26 CO -0.01 0.47 -0.20 0.03 0.09 0.00 0.00 178.44 178.82 1f91 h ARG 27 N 0.87 0.48 -0.00 1.13 3.08 -1.02 -3.06 114.38 115.87 1f91 h ARG 27 Ca 0.36 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1f91 h ARG 27 Cb 0.20 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1f91 h ARG 27 CO -0.18 0.66 -0.46 0.39 -1.07 0.00 0.00 179.97 179.31 1f91 n GLU 28 N -4.15 0.19 -2.88 0.04 1.02 -0.64 -4.73 120.64 109.49 1f91 n GLU 28 Ca -0.00 -0.11 -0.17 0.00 -0.02 0.00 0.00 57.16 56.86 1f91 n GLU 28 Cb 0.37 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.33 1f91 n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f91 n GLY 29 N 1.46 -0.22 3.70 0.62 0.00 0.28 -4.96 105.19 106.08 1f91 n GLY 29 Ca 0.07 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1f91 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1f91 s ARG 30 N -5.46 4.48 0.42 1.61 3.52 -0.93 -5.01 118.95 117.58 1f91 s ARG 30 Ca 0.25 1.31 -0.23 0.00 -0.13 0.00 0.00 55.73 56.92 1f91 s ARG 30 Cb -0.11 -3.49 -0.09 0.00 -1.56 0.00 0.00 34.95 29.70 1f91 s ARG 30 CO 0.31 -0.13 1.06 0.45 -0.81 0.00 0.00 175.30 176.18 1f91 s SER 31 N 1.02 6.64 0.00 -2.12 0.15 -1.26 -4.82 113.70 113.30 1f91 s SER 31 Ca 0.48 2.05 0.10 0.00 0.70 0.00 0.00 55.95 59.28 1f91 s SER 31 Cb -0.19 -2.58 0.24 0.00 -1.71 0.00 0.00 66.02 61.77 1f91 s SER 31 CO 0.23 -0.58 1.14 0.61 1.20 0.00 0.00 173.24 175.84 1f91 n GLY 32 N 0.27 2.00 3.74 9.45 0.00 0.58 -4.98 105.19 116.25 1f91 n GLY 32 Ca 0.06 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1f91 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f91 s ILE 33 N -0.97 4.75 0.25 -0.61 -1.09 -1.25 -4.11 121.20 118.16 1f91 s ILE 33 Ca 0.20 1.67 0.02 0.00 -2.23 0.00 0.00 60.65 60.30 1f91 s ILE 33 Cb 0.11 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 1f91 s ILE 33 CO 0.14 0.34 0.07 0.42 -1.23 0.00 0.00 174.94 174.69 1f91 s THR 34 N 0.08 0.68 0.26 2.92 -4.23 -0.39 -4.30 115.64 110.65 1f91 s THR 34 Ca 0.40 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.61 1f91 s THR 34 Cb -0.20 -2.55 -0.09 0.00 1.34 0.00 0.00 72.50 70.99 1f91 s THR 34 CO 0.23 -0.10 1.03 0.12 -0.54 0.00 0.00 174.62 175.37 1f91 s PHE 35 N -3.67 3.75 -0.29 3.99 5.36 -1.26 -1.65 117.98 124.20 1f91 s PHE 35 Ca 0.35 1.79 -0.00 0.00 -0.96 0.00 0.00 56.93 58.10 1f91 s PHE 35 Cb 0.07 -3.16 0.05 0.00 -0.34 0.00 0.00 43.02 39.65 1f91 s PHE 35 CO 0.12 -0.14 -0.03 0.45 -1.46 0.00 0.00 175.22 174.16 1f91 s SER 36 N -0.96 4.77 0.32 6.13 0.15 0.21 -4.88 113.70 119.44 1f91 s SER 36 Ca 0.43 -1.31 0.04 0.00 0.70 0.00 0.00 55.95 55.82 1f91 s SER 36 Cb -0.29 -1.67 0.56 0.00 -1.71 0.00 0.00 66.02 62.90 1f91 s SER 36 CO 0.37 -0.24 1.83 -0.61 1.20 0.00 0.00 173.24 175.79 1f91 h GLN 37 N 7.93 0.50 -0.39 5.44 5.75 -1.96 -2.29 115.11 130.09 1f91 h GLN 37 Ca -0.20 -0.13 0.04 0.00 -0.15 0.00 0.00 58.65 58.21 1f91 h GLN 37 Cb 1.06 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.51 1f91 h GLN 37 CO 0.51 0.59 0.17 1.49 -2.65 0.00 0.00 178.83 178.94 1f91 h GLU 38 N 0.47 0.34 -0.35 1.69 4.81 -1.96 -0.46 114.58 119.12 1f91 h GLU 38 Ca 0.09 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1f91 h GLU 38 Cb 0.43 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1f91 h GLU 38 CO 0.02 0.23 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.40 1f91 h LEU 39 N 0.35 0.67 -0.21 1.64 3.38 -1.81 -2.29 115.31 117.04 1f91 h LEU 39 Ca 0.18 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1f91 h LEU 39 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1f91 h LEU 39 CO -0.15 0.86 0.06 0.50 0.09 0.00 0.00 178.44 179.80 1f91 h LYS 40 N 0.46 0.15 0.00 1.13 3.64 -1.08 -2.09 116.57 118.79 1f91 h LYS 40 Ca 0.09 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1f91 h LYS 40 Cb 0.55 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1f91 h LYS 40 CO 0.03 0.10 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.82 1f91 h ASP 41 N 0.16 0.00 1.18 4.20 3.32 -1.03 -1.36 116.42 122.88 1f91 h ASP 41 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1f91 h ASP 41 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1f91 h ASP 41 CO -0.10 0.05 0.00 -1.54 -1.72 0.00 0.00 179.24 175.93 1f91 n SER 42 N -3.44 0.76 0.00 6.45 3.41 -0.80 -4.88 113.62 115.12 1f91 n SER 42 Ca -0.02 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1f91 n SER 42 Cb 0.18 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1f91 n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f91 n GLY 43 N 0.79 0.88 3.88 5.00 0.00 -0.51 -5.08 105.19 110.15 1f91 n GLY 43 Ca 0.04 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1f91 n GLY 43 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1f91 s MET 44 N -0.64 3.04 -0.01 1.61 -1.94 -1.13 -4.99 119.30 115.23 1f91 s MET 44 Ca 0.00 0.53 0.15 0.00 -1.71 0.00 0.00 55.69 54.66 1f91 s MET 44 Cb 0.00 -2.03 -0.20 0.00 2.01 0.00 0.00 34.83 34.61 1f91 s MET 44 CO 0.00 -0.92 0.68 0.54 -0.01 0.00 0.00 175.02 175.31 1f91 n ARG 45 N -2.95 0.63 -3.11 2.03 1.74 -1.26 -4.72 116.66 109.02 1f91 n ARG 45 Ca 0.07 0.24 -0.41 0.00 -0.77 0.00 0.00 57.85 56.98 1f91 n ARG 45 Cb 0.56 -1.78 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 1f91 n ARG 45 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1f91 s SER 46 N -5.91 6.49 -0.16 0.55 0.15 -1.26 -4.77 113.70 108.78 1f91 s SER 46 Ca -0.04 0.39 0.16 0.00 0.70 0.00 0.00 55.95 57.16 1f91 s SER 46 Cb 0.08 -2.33 0.50 0.00 -1.71 0.00 0.00 66.02 62.56 1f91 s SER 46 CO 0.82 -0.50 1.39 1.41 1.20 0.00 0.00 173.24 177.56 1f91 n HIS 47 N 5.91 0.84 -4.57 3.44 8.25 -1.26 -4.62 115.22 123.21 1f91 n HIS 47 Ca -0.01 -0.86 -0.28 0.00 -0.26 0.00 0.00 57.72 56.32 1f91 n HIS 47 Cb 0.49 -0.28 -0.14 0.00 1.12 0.00 0.00 29.99 31.18 1f91 n HIS 47 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1f91 s VAL 48 N -2.69 1.99 0.19 1.59 -7.23 -1.26 0.66 120.40 113.64 1f91 s VAL 48 Ca 0.40 -1.49 -0.17 0.00 -1.81 0.00 0.00 61.98 58.91 1f91 s VAL 48 Cb 0.32 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.54 1f91 s VAL 48 CO 0.09 0.16 0.50 -1.66 -0.31 0.00 0.00 175.10 173.88 1f91 s TRP 49 N -0.95 -0.06 -0.81 2.82 -2.14 -0.66 -4.39 118.94 112.74 1f91 s TRP 49 Ca 0.10 -0.28 -0.08 0.00 2.66 0.00 0.00 56.10 58.50 1f91 s TRP 49 Cb -0.10 0.35 0.21 0.00 -3.10 0.00 0.00 33.47 30.83 1f91 s TRP 49 CO 0.04 -0.90 0.71 0.20 -2.66 0.00 0.00 176.95 174.33 1f91 s GLY 50 N -2.89 2.76 0.28 3.67 0.00 0.21 -1.27 107.32 110.08 1f91 s GLY 50 Ca 0.10 -3.46 -0.08 0.00 0.00 0.00 0.00 44.72 41.28 1f91 s GLY 50 CO -0.02 1.21 0.59 0.54 0.00 0.00 0.00 173.10 175.42 1f91 s ASN 51 N 1.23 6.56 -0.31 1.64 6.03 -1.26 -1.85 114.94 126.98 1f91 s ASN 51 Ca 0.21 0.90 -0.29 0.00 -1.03 0.00 0.00 52.86 52.65 1f91 s ASN 51 Cb -0.13 -2.22 0.02 0.00 -3.03 0.00 0.00 41.25 35.89 1f91 s ASN 51 CO -0.08 -0.17 1.07 -0.69 -2.03 0.00 0.00 177.10 175.20 1f91 s VAL 52 N -2.00 4.53 -1.32 3.54 1.01 -1.26 -4.23 120.40 120.66 1f91 s VAL 52 Ca 0.47 1.77 -0.14 0.00 0.00 0.00 0.00 61.98 64.09 1f91 s VAL 52 Cb -0.11 -4.40 0.11 0.00 0.00 0.00 0.00 36.38 31.98 1f91 s VAL 52 CO 0.25 -0.44 1.86 0.29 0.00 0.00 0.00 175.10 177.06 1f91 n LYS 53 N 6.79 3.24 -3.64 2.72 4.76 -1.26 -4.88 118.16 125.89 1f91 n LYS 53 Ca 0.12 -3.26 -0.09 0.00 -2.87 0.00 0.00 58.31 52.21 1f91 n LYS 53 Cb 0.47 -3.20 -0.07 0.00 -1.84 0.00 0.00 35.03 30.39 1f91 n LYS 53 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1f91 s LEU 54 N 2.01 -0.73 -0.37 -0.35 2.96 -1.26 -4.96 118.68 115.97 1f91 s LEU 54 Ca 0.46 1.27 -0.21 0.00 -0.22 0.00 0.00 54.13 55.43 1f91 s LEU 54 Cb 0.07 2.23 0.01 0.00 0.50 0.00 0.00 46.19 48.99 1f91 s LEU 54 CO -0.00 -0.21 0.67 -0.62 -1.32 0.00 0.00 176.35 174.86 1f91 s ASP 55 N 0.93 6.43 0.00 3.68 -1.08 -1.26 -4.91 116.67 120.46 1f91 s ASP 55 Ca -0.04 0.09 0.29 0.00 -0.52 0.00 0.00 52.55 52.37 1f91 s ASP 55 Cb -0.05 -2.34 1.24 0.00 -1.46 0.00 0.00 42.92 40.31 1f91 s ASP 55 CO -0.10 -0.66 1.86 0.35 0.52 0.00 0.00 175.17 177.14 1f91 n THR 56 N 5.69 0.00 -1.66 1.71 -2.24 -1.26 -4.88 114.28 111.63 1f91 n THR 56 Ca -0.00 -0.10 -0.47 0.00 -2.27 0.00 0.00 64.05 61.20 1f91 n THR 56 Cb 0.48 0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.69 1f91 n THR 56 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1f91 n THR 57 N -0.69 0.11 -0.83 4.28 -1.04 -1.26 -1.79 114.28 113.05 1f91 n THR 57 Ca 0.17 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1f91 n THR 57 Cb 0.28 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 1f91 n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1f91 n GLY 58 N 3.48 0.51 0.02 3.41 0.00 -1.26 -4.85 105.19 106.49 1f91 n GLY 58 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1f91 n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1f91 n LEU 59 N 0.00 0.18 -4.07 0.99 4.77 -0.74 -4.78 117.00 113.35 1f91 n LEU 59 Ca 0.00 0.47 -0.21 0.00 -0.03 0.00 0.00 56.01 56.24 1f91 n LEU 59 Cb 0.05 -0.45 -0.15 0.00 -2.33 0.00 0.00 43.42 40.54 1f91 n LEU 59 CO 0.00 -0.02 -0.46 -0.63 -1.33 0.00 0.00 177.39 174.96 1f91 s ILE 60 N -3.02 0.94 0.18 -0.08 1.01 -1.26 -5.10 121.20 113.88 1f91 s ILE 60 Ca 0.13 -0.50 -0.32 0.00 0.00 0.00 0.00 60.65 59.96 1f91 s ILE 60 Cb 0.18 -0.79 -0.16 0.00 0.01 0.00 0.00 42.46 41.70 1f91 s ILE 60 CO 0.56 0.27 1.14 -0.67 0.00 0.00 0.00 174.94 176.24 1f91 n ASP 61 N 2.83 1.32 -0.34 3.58 2.03 -1.26 -4.67 116.55 120.04 1f91 n ASP 61 Ca -0.14 1.14 0.04 0.00 0.52 0.00 0.00 54.79 56.36 1f91 n ASP 61 Cb 0.56 -1.22 0.20 0.00 -0.72 0.00 0.00 41.12 39.93 1f91 n ASP 61 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1f91 h ARG 62 N 3.24 0.93 0.00 -0.67 0.11 -1.99 -0.73 114.38 115.27 1f91 h ARG 62 Ca -0.43 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1f91 h ARG 62 Cb 1.34 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1f91 h ARG 62 CO 0.69 0.61 0.00 1.63 0.10 0.00 0.00 179.97 183.00 1f91 n LYS 63 N -4.64 0.07 -0.12 0.08 5.02 -1.26 -2.75 118.16 114.56 1f91 n LYS 63 Ca 0.16 0.37 -0.22 0.00 -2.02 0.00 0.00 58.31 56.60 1f91 n LYS 63 Cb 0.29 -1.65 -0.09 0.00 -0.02 0.00 0.00 35.03 33.56 1f91 n LYS 63 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1f91 n VAL 64 N -1.78 1.30 0.30 -0.18 0.31 -0.40 -4.55 118.33 113.32 1f91 n VAL 64 Ca 0.02 -0.40 0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1f91 n VAL 64 Cb 0.15 -1.61 0.89 0.00 -0.91 0.00 0.00 33.84 32.36 1f91 n VAL 64 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1f91 h VAL 65 N -0.51 0.08 0.00 2.52 3.04 -1.23 -2.81 116.25 117.34 1f91 h VAL 65 Ca -0.56 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 64.79 1f91 h VAL 65 Cb 1.63 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 32.22 1f91 h VAL 65 CO -0.25 0.02 0.00 0.08 -1.01 0.00 0.00 177.57 176.41 1f91 h ARG 66 N 0.00 0.00 0.00 4.17 0.11 -1.76 -1.57 114.38 115.34 1f91 h ARG 66 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1f91 h ARG 66 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1f91 h ARG 66 CO 0.00 0.00 -1.22 1.19 0.10 0.00 0.00 179.97 180.04 1f91 n PHE 67 N -2.32 0.11 -3.57 4.08 3.01 -1.06 -4.83 117.46 112.88 1f91 n PHE 67 Ca -0.00 0.03 -0.30 0.00 1.01 0.00 0.00 57.45 58.19 1f91 n PHE 67 Cb 0.12 -0.30 -0.04 0.00 -0.01 0.00 0.00 39.48 39.25 1f91 n PHE 67 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1f91 s MET 68 N -3.20 3.63 0.52 -1.08 -1.94 -0.59 -3.25 119.30 113.39 1f91 s MET 68 Ca 0.03 -0.06 0.07 0.00 -1.71 0.00 0.00 55.69 54.02 1f91 s MET 68 Cb 0.15 -2.77 0.04 0.00 2.01 0.00 0.00 34.83 34.25 1f91 s MET 68 CO 0.85 0.38 0.49 -1.54 -0.01 0.00 0.00 175.02 175.19 1f91 s SER 69 N -2.70 4.86 0.25 3.03 1.04 -1.26 -4.92 113.70 114.00 1f91 s SER 69 Ca 0.42 -1.02 -0.06 0.00 0.48 0.00 0.00 55.95 55.77 1f91 s SER 69 Cb -0.11 0.13 0.28 0.00 0.10 0.00 0.00 66.02 66.42 1f91 s SER 69 CO 0.26 -1.05 1.90 0.44 0.98 0.00 0.00 173.24 175.77 1f91 h ASP 70 N 0.68 1.05 -0.72 7.02 3.32 -1.94 -0.92 116.42 124.91 1f91 h ASP 70 Ca -0.36 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 56.75 1f91 h ASP 70 Cb 1.29 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.53 1f91 h ASP 70 CO 0.53 0.73 0.39 0.00 -1.72 0.00 0.00 179.24 179.17 1f91 h ALA 71 N 1.38 0.98 -0.51 3.45 0.00 -1.86 0.11 119.26 122.80 1f91 h ALA 71 Ca 0.37 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 1f91 h ALA 71 Cb -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1f91 h ALA 71 CO -0.11 0.05 -0.14 0.77 0.00 0.00 0.00 179.25 179.82 1f91 h SER 72 N 0.70 1.00 -0.08 0.00 0.02 -1.72 -1.64 113.55 111.82 1f91 h SER 72 Ca 0.33 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1f91 h SER 72 Cb 0.26 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1f91 h SER 72 CO -0.21 1.13 0.05 0.40 -1.14 0.00 0.00 176.83 177.05 1f91 h ILE 73 N 0.87 1.07 -0.66 3.27 2.04 -0.17 0.77 117.51 124.71 1f91 h ILE 73 Ca 0.13 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1f91 h ILE 73 Cb 0.70 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1f91 h ILE 73 CO 0.05 0.06 0.39 1.88 0.00 0.00 0.00 178.15 180.54 1f91 h TYR 74 N 0.05 0.87 -0.35 1.37 0.05 -0.75 -1.45 116.97 116.77 1f91 h TYR 74 Ca 0.03 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 1f91 h TYR 74 Cb 0.06 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 1f91 h TYR 74 CO -0.05 0.60 -0.14 0.00 -1.05 0.00 0.00 178.16 177.51 1f91 h ALA 75 N 1.20 1.09 -0.12 3.88 0.00 -1.14 -1.95 119.26 122.23 1f91 h ALA 75 Ca 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1f91 h ALA 75 Cb -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1f91 h ALA 75 CO -0.04 0.56 0.02 0.35 0.00 0.00 0.00 179.25 180.14 1f91 h PHE 76 N 0.57 0.20 -0.50 0.00 3.57 -0.40 -0.28 116.94 120.10 1f91 h PHE 76 Ca 0.10 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1f91 h PHE 76 Cb 0.58 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1f91 h PHE 76 CO 0.02 0.38 0.18 -0.07 -2.23 0.00 0.00 178.31 176.59 1f91 h LEU 77 N -0.03 0.66 -0.71 0.59 3.38 -1.20 -1.19 115.31 116.81 1f91 h LEU 77 Ca 0.04 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1f91 h LEU 77 Cb 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1f91 h LEU 77 CO 0.00 0.61 -0.25 0.28 0.09 0.00 0.00 178.44 179.17 1f91 h SER 78 N 0.71 0.73 -0.48 -0.43 0.02 -1.10 -2.71 113.55 110.31 1f91 h SER 78 Ca 0.17 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 60.71 1f91 h SER 78 Cb 0.18 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1f91 h SER 78 CO -0.01 0.96 -0.23 -0.03 -1.14 0.00 0.00 176.83 176.37 1f91 h MET 79 N 0.62 1.00 -0.83 3.45 1.85 -0.29 -1.20 114.93 119.54 1f91 h MET 79 Ca 0.08 -0.44 0.05 0.00 -0.61 0.00 0.00 59.70 58.79 1f91 h MET 79 Cb 0.75 -0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.70 1f91 h MET 79 CO 0.06 1.12 0.52 0.93 -0.40 0.00 0.00 176.91 179.13 1f91 h GLU 80 N 0.86 0.94 -0.38 0.39 5.08 -1.11 0.25 114.58 120.60 1f91 h GLU 80 Ca 0.11 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1f91 h GLU 80 Cb 0.82 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1f91 h GLU 80 CO 0.07 0.62 -0.09 1.96 -1.00 0.00 0.00 179.01 180.57 1f91 h GLN 81 N 0.96 0.74 -0.87 2.33 4.20 -1.29 -2.51 115.11 118.67 1f91 h GLN 81 Ca 0.35 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1f91 h GLN 81 Cb 0.12 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1f91 h GLN 81 CO -0.15 0.88 0.50 0.00 -0.67 0.00 0.00 178.83 179.39 1f91 h ALA 82 N 0.84 1.11 -0.40 3.87 0.00 -0.48 0.30 119.26 124.51 1f91 h ALA 82 Ca 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1f91 h ALA 82 Cb 0.60 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1f91 h ALA 82 CO 0.04 0.60 0.15 0.82 0.00 0.00 0.00 179.25 180.85 1f91 h ILE 83 N 1.21 1.20 -0.59 0.00 2.04 -0.92 0.24 117.51 120.70 1f91 h ILE 83 Ca 0.31 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 1f91 h ILE 83 Cb -0.01 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1f91 h ILE 83 CO -0.05 0.23 0.04 0.00 0.00 0.00 0.00 178.15 178.37 1f91 h ALA 84 N 0.99 0.79 -0.04 1.87 0.00 -0.98 -1.83 119.26 120.06 1f91 h ALA 84 Ca 0.13 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1f91 h ALA 84 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1f91 h ALA 84 CO -0.01 0.59 -0.53 0.22 0.00 0.00 0.00 179.25 179.52 1f91 h ASP 85 N 0.91 0.13 1.55 0.00 3.58 -0.16 -2.83 116.42 119.59 1f91 h ASP 85 Ca 0.17 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1f91 h ASP 85 Cb 0.50 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1f91 h ASP 85 CO 0.02 0.63 -0.02 0.00 -2.88 0.00 0.00 179.24 176.99 1f91 h ALA 86 N 1.37 0.99 -2.81 -0.78 0.00 -0.28 -3.44 119.26 114.31 1f91 h ALA 86 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1f91 h ALA 86 Cb 0.97 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.80 1f91 h ALA 86 CO 0.08 0.00 -0.30 0.41 0.00 0.00 0.00 179.25 179.43 1f91 n GLY 87 N 1.27 0.17 3.77 0.00 0.00 -0.72 -4.79 105.19 104.89 1f91 n GLY 87 Ca 0.05 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1f91 n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f91 s LEU 88 N -3.69 4.23 0.14 0.99 1.43 -1.01 -5.07 118.68 115.69 1f91 s LEU 88 Ca 0.21 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1f91 s LEU 88 Cb -0.09 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1f91 s LEU 88 CO 0.26 0.25 0.29 -0.94 0.23 0.00 0.00 176.35 176.43 1f91 s SER 89 N -0.07 6.36 0.30 2.29 1.04 -1.26 -4.78 113.70 117.58 1f91 s SER 89 Ca 0.10 0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.81 1f91 s SER 89 Cb -0.11 -1.95 0.75 0.00 0.10 0.00 0.00 66.02 64.80 1f91 s SER 89 CO -0.00 0.07 1.62 -0.65 0.98 0.00 0.00 173.24 175.26 1f91 h PRO 90 N 2.38 0.14 0.00 4.02 0.11 -1.99 0.36 132.00 137.02 1f91 h PRO 90 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1f91 h PRO 90 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1f91 h PRO 90 CO 0.71 0.09 0.00 -0.85 -0.21 0.00 0.00 178.00 177.74 1f91 n GLU 91 N -5.29 0.10 -0.07 1.05 0.00 -1.26 -0.51 120.64 114.65 1f91 n GLU 91 Ca 0.22 0.22 -0.22 0.00 0.00 0.00 0.00 57.16 57.39 1f91 n GLU 91 Cb 0.73 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.54 1f91 n GLU 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1f91 n ALA 92 N -1.38 1.01 0.04 -1.84 0.00 0.13 -4.67 120.51 113.80 1f91 n ALA 92 Ca 0.05 -0.74 0.10 0.00 0.00 0.00 0.00 53.44 52.84 1f91 n ALA 92 Cb 0.12 -0.41 -0.15 0.00 0.00 0.00 0.00 19.45 19.01 1f91 n ALA 92 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1f91 n TYR 93 N -3.83 0.00 -2.83 0.00 0.18 -1.11 -4.85 117.16 104.72 1f91 n TYR 93 Ca -0.38 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.03 1f91 n TYR 93 Cb 0.91 -0.42 -0.06 0.00 -0.38 0.00 0.00 39.34 39.38 1f91 n TYR 93 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1f91 s GLN 94 N -3.33 4.52 -1.62 -3.48 -0.21 0.33 -3.80 119.66 112.08 1f91 s GLN 94 Ca -0.06 1.25 -0.16 0.00 0.02 0.00 0.00 55.36 56.40 1f91 s GLN 94 Cb 0.13 -2.79 0.12 0.00 1.00 0.00 0.00 33.01 31.46 1f91 s GLN 94 CO 0.82 0.29 0.89 0.09 -2.12 0.00 0.00 175.29 175.26 1f91 n ASN 95 N 0.55 -4.08 -4.13 5.90 3.02 0.37 -4.88 115.26 112.02 1f91 n ASN 95 Ca 0.01 -0.89 -0.33 0.00 -0.03 0.00 0.00 54.58 53.34 1f91 n ASN 95 Cb 0.50 -3.33 -0.15 0.00 -0.61 0.00 0.00 39.78 36.19 1f91 n ASN 95 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1f91 s ASN 96 N -3.30 4.35 0.61 6.41 3.84 -1.25 -4.93 114.94 120.68 1f91 s ASN 96 Ca 0.70 -1.16 0.39 0.00 0.21 0.00 0.00 52.86 53.00 1f91 s ASN 96 Cb -0.37 -1.60 2.10 0.00 -0.55 0.00 0.00 41.25 40.83 1f91 s ASN 96 CO 0.88 -0.17 2.18 -0.65 -2.79 0.00 0.00 177.10 176.55 1f91 h PRO 97 N 7.90 0.00 -0.43 0.43 0.11 -1.92 -1.17 132.00 136.91 1f91 h PRO 97 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1f91 h PRO 97 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1f91 h PRO 97 CO 0.52 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.85 1f91 n ARG 98 N -2.91 2.12 -4.01 1.05 5.12 -1.26 -4.10 116.66 112.67 1f91 n ARG 98 Ca -0.03 -1.73 -0.30 0.00 -1.93 0.00 0.00 57.85 53.86 1f91 n ARG 98 Cb 0.12 -1.40 -0.16 0.00 -1.16 0.00 0.00 32.46 29.85 1f91 n ARG 98 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1f91 s VAL 99 N -1.43 1.60 0.20 1.55 1.01 -0.44 -0.50 120.40 122.37 1f91 s VAL 99 Ca 0.34 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1f91 s VAL 99 Cb 0.18 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 1f91 s VAL 99 CO 0.24 0.37 0.02 0.61 0.00 0.00 0.00 175.10 176.35 1f91 n GLY 100 N 4.75 3.88 3.02 4.51 0.00 -0.09 -0.73 105.19 120.53 1f91 n GLY 100 Ca -0.16 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.54 1f91 n GLY 100 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f91 s LEU 101 N 0.00 0.29 -0.26 0.99 0.20 0.10 -1.02 118.68 118.99 1f91 s LEU 101 Ca 0.03 0.50 -0.01 0.00 0.69 0.00 0.00 54.13 55.34 1f91 s LEU 101 Cb 0.00 0.67 0.08 0.00 -0.43 0.00 0.00 46.19 46.51 1f91 s LEU 101 CO 0.02 -0.18 0.05 -0.63 -0.29 0.00 0.00 176.35 175.31 1f91 s ILE 102 N 1.51 0.96 -0.11 6.68 1.01 -0.22 -2.84 121.20 128.20 1f91 s ILE 102 Ca -0.07 -1.15 -0.12 0.00 0.00 0.00 0.00 60.65 59.31 1f91 s ILE 102 Cb -0.11 -1.54 0.03 0.00 0.01 0.00 0.00 42.46 40.85 1f91 s ILE 102 CO -0.08 -0.41 0.33 0.00 0.00 0.00 0.00 174.94 174.78 1f91 s ALA 103 N 1.61 -0.82 0.17 9.38 0.00 -1.15 -2.66 121.76 128.30 1f91 s ALA 103 Ca 0.03 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.84 1f91 s ALA 103 Cb -0.18 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 1f91 s ALA 103 CO -0.15 -0.18 0.21 0.41 0.00 0.00 0.00 175.76 176.04 1f91 n GLY 104 N 2.61 2.95 3.25 0.00 0.00 -1.15 -3.45 105.19 109.40 1f91 n GLY 104 Ca -0.14 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 1f91 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f91 s SER 105 N -2.12 0.83 -0.01 1.61 1.04 -1.26 -2.33 113.70 111.46 1f91 s SER 105 Ca 0.17 -1.31 -0.15 0.00 0.48 0.00 0.00 55.95 55.14 1f91 s SER 105 Cb 0.00 0.22 -0.34 0.00 0.10 0.00 0.00 66.02 66.01 1f91 s SER 105 CO 0.12 -0.72 0.87 1.23 0.98 0.00 0.00 173.24 175.72 1f91 h GLY 106 N 2.58 0.55 0.00 7.32 0.00 -1.84 -3.41 103.07 108.27 1f91 h GLY 106 Ca -0.37 -1.39 0.00 0.00 0.00 0.00 0.00 47.33 45.57 1f91 h GLY 106 CO 0.59 1.22 0.00 0.61 0.00 0.00 0.00 176.54 178.96 1f91 n GLY 107 N 1.77 1.60 7.00 4.60 0.00 -1.26 -4.78 105.19 114.12 1f91 n GLY 107 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1f91 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f91 n GLY 108 N -0.35 2.10 2.53 -0.02 0.00 -1.26 -4.04 105.19 104.15 1f91 n GLY 108 Ca 0.00 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1f91 n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f91 s SER 109 N -4.00 1.48 0.34 1.61 0.15 -1.26 -4.67 113.70 107.34 1f91 s SER 109 Ca 0.00 -2.38 0.01 0.00 0.70 0.00 0.00 55.95 54.28 1f91 s SER 109 Cb 0.00 0.03 0.58 0.00 -1.71 0.00 0.00 66.02 64.92 1f91 s SER 109 CO 0.00 -0.21 2.00 -0.65 1.20 0.00 0.00 173.24 175.58 1f91 h PRO 110 N 6.25 0.90 -0.29 5.44 0.11 -1.93 -1.58 132.00 140.90 1f91 h PRO 110 Ca 0.15 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.25 1f91 h PRO 110 Cb 0.98 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.84 1f91 h PRO 110 CO 0.27 0.60 0.03 -0.09 -0.21 0.00 0.00 178.00 178.59 1f91 h ARG 111 N 0.93 0.12 0.00 1.05 2.43 -1.93 -0.82 114.38 116.15 1f91 h ARG 111 Ca 0.25 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1f91 h ARG 111 Cb -0.10 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1f91 h ARG 111 CO -0.06 0.08 -0.10 0.74 -1.51 0.00 0.00 179.97 179.12 1f91 h PHE 112 N 0.12 0.00 -0.28 2.20 -1.00 -1.84 -1.34 116.94 114.80 1f91 h PHE 112 Ca 0.14 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.73 1f91 h PHE 112 Cb 0.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1f91 h PHE 112 CO -0.20 0.10 -0.56 0.37 -1.61 0.00 0.00 178.31 176.42 1f91 h GLN 113 N 0.00 0.86 -0.28 1.51 5.75 -0.95 -1.60 115.11 120.40 1f91 h GLN 113 Ca -0.00 -0.55 -0.18 0.00 -0.15 0.00 0.00 58.65 57.77 1f91 h GLN 113 Cb 1.06 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.68 1f91 h GLN 113 CO 0.01 1.19 -0.52 0.28 -2.65 0.00 0.00 178.83 177.14 1f91 h VAL 114 N 0.66 1.28 -0.90 2.39 2.07 -1.09 -2.55 116.25 118.11 1f91 h VAL 114 Ca 0.01 -1.71 0.01 0.00 0.82 0.00 0.00 66.70 65.83 1f91 h VAL 114 Cb 1.17 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 1f91 h VAL 114 CO 0.12 0.56 0.60 0.15 0.02 0.00 0.00 177.57 179.02 1f91 h PHE 115 N 0.64 1.13 -0.31 1.57 3.57 -1.16 0.21 116.94 122.57 1f91 h PHE 115 Ca 0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1f91 h PHE 115 Cb 1.11 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1f91 h PHE 115 CO 0.06 0.70 0.09 0.78 -2.23 0.00 0.00 178.31 177.71 1f91 h GLY 116 N 1.21 0.54 1.34 2.40 0.00 -1.05 -0.53 103.07 106.97 1f91 h GLY 116 Ca 0.34 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 1f91 h GLY 116 CO -0.08 0.31 -0.38 0.00 0.00 0.00 0.00 176.54 176.39 1f91 h ALA 117 N 0.92 0.75 -0.43 3.60 0.00 -1.09 -1.45 119.26 121.57 1f91 h ALA 117 Ca 0.10 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1f91 h ALA 117 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1f91 h ALA 117 CO -0.00 0.66 0.09 -0.44 0.00 0.00 0.00 179.25 179.56 1f91 h ASP 118 N 0.60 0.67 -0.34 0.00 3.45 -0.85 -2.10 116.42 117.84 1f91 h ASP 118 Ca 0.05 -0.24 -0.04 0.00 0.43 0.00 0.00 57.03 57.23 1f91 h ASP 118 Cb 0.92 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.50 1f91 h ASP 118 CO 0.08 0.74 0.06 0.00 -1.57 0.00 0.00 179.24 178.55 1f91 h ALA 119 N 0.96 0.46 -0.69 3.45 0.00 -1.03 -2.94 119.26 119.46 1f91 h ALA 119 Ca 0.13 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1f91 h ALA 119 Cb 0.34 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1f91 h ALA 119 CO 0.00 0.16 0.45 1.98 0.00 0.00 0.00 179.25 181.84 1f91 h MET 120 N 0.40 0.83 -0.02 0.00 1.85 -1.17 -1.43 114.93 115.40 1f91 h MET 120 Ca 0.10 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 1f91 h MET 120 Cb 0.35 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 32.19 1f91 h MET 120 CO 0.01 0.55 0.00 0.54 -0.40 0.00 0.00 176.91 177.61 1f91 n ARG 121 N -4.45 1.15 -2.39 0.39 1.74 -0.80 -4.11 116.66 108.20 1f91 n ARG 121 Ca 0.08 -0.23 -0.25 0.00 -0.77 0.00 0.00 57.85 56.69 1f91 n ARG 121 Cb 0.10 -1.39 0.11 0.00 -1.02 0.00 0.00 32.46 30.26 1f91 n ARG 121 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1f91 s GLY 122 N -1.76 1.76 0.44 -0.13 0.00 -0.54 -4.97 107.32 102.12 1f91 s GLY 122 Ca 0.36 -1.45 0.30 0.00 0.00 0.00 0.00 44.72 43.93 1f91 s GLY 122 CO 0.28 -0.89 1.90 -0.56 0.00 0.00 0.00 173.10 173.84 1f91 h PRO 123 N -0.72 0.00 -0.01 2.90 0.13 -1.89 -2.92 132.00 129.49 1f91 h PRO 123 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1f91 h PRO 123 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1f91 h PRO 123 CO 0.44 0.00 -0.24 0.54 -0.23 0.00 0.00 178.00 178.51 1f91 n ARG 124 N -2.68 0.80 0.00 0.86 1.74 -1.26 -5.01 116.66 111.12 1f91 n ARG 124 Ca 0.00 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.63 1f91 n ARG 124 Cb 0.21 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1f91 n ARG 124 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f91 n GLY 125 N 1.34 2.62 0.38 -0.13 0.00 -1.11 -1.97 105.19 106.31 1f91 n GLY 125 Ca 0.12 0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.40 1f91 n GLY 125 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1f91 h LEU 126 N 0.00 0.60 -1.48 0.99 3.38 -1.87 -0.51 115.31 116.43 1f91 h LEU 126 Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1f91 h LEU 126 Cb 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1f91 h LEU 126 CO 0.00 0.16 0.26 0.11 0.09 0.00 0.00 178.44 179.06 1f91 h LYS 127 N 0.56 0.61 0.00 1.13 1.57 -1.79 -2.54 116.57 116.11 1f91 h LYS 127 Ca 0.58 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 59.15 1f91 h LYS 127 Cb 1.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1f91 h LYS 127 CO -0.34 0.44 -0.78 0.00 -0.57 0.00 0.00 179.45 178.19 1f91 h ALA 128 N 1.67 0.60 -0.21 3.86 0.00 -1.13 -3.30 119.26 120.75 1f91 h ALA 128 Ca 0.16 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 1f91 h ALA 128 Cb -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1f91 h ALA 128 CO -0.03 0.98 -0.08 0.28 0.00 0.00 0.00 179.25 180.39 1f91 h VAL 129 N 0.00 1.30 0.00 0.00 2.07 -1.26 -3.48 116.25 114.89 1f91 h VAL 129 Ca -0.01 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1f91 h VAL 129 Cb 1.48 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1f91 h VAL 129 CO 0.10 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.64 1f91 n GLY 130 N -0.06 -1.40 1.42 2.17 0.00 -1.10 -4.64 105.19 101.58 1f91 n GLY 130 Ca -0.05 -1.58 0.06 0.00 0.00 0.00 0.00 46.02 44.45 1f91 n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f91 n PRO 131 N -1.54 3.55 -0.02 1.61 -0.04 -1.26 -4.30 135.00 133.00 1f91 n PRO 131 Ca 0.00 -2.24 0.01 0.00 -0.04 0.00 0.00 63.50 61.23 1f91 n PRO 131 Cb 0.00 -1.94 0.02 0.00 -0.04 0.00 0.00 33.50 31.54 1f91 n PRO 131 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1f91 n TYR 132 N 0.59 0.05 0.04 0.54 4.01 -1.26 -4.74 117.16 116.38 1f91 n TYR 132 Ca 0.20 -0.26 -0.05 0.00 -0.16 0.00 0.00 57.90 57.63 1f91 n TYR 132 Cb 0.85 -0.02 0.15 0.00 -0.31 0.00 0.00 39.34 40.01 1f91 n TYR 132 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1f91 h VAL 133 N 0.40 1.32 -0.15 -0.72 2.07 -1.83 -3.24 116.25 114.11 1f91 h VAL 133 Ca 0.00 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 65.90 1f91 h VAL 133 Cb 0.32 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1f91 h VAL 133 CO 0.00 0.50 0.08 0.58 0.02 0.00 0.00 177.57 178.74 1f91 h VAL 134 N 0.32 1.00 0.00 2.57 2.07 -1.92 0.11 116.25 120.40 1f91 h VAL 134 Ca 0.02 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1f91 h VAL 134 Cb 0.92 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1f91 h VAL 134 CO 0.08 0.03 -0.04 0.71 0.02 0.00 0.00 177.57 178.37 1f91 h THR 135 N 0.16 0.11 0.18 2.57 1.35 -1.82 0.06 112.91 115.53 1f91 h THR 135 Ca 0.06 -0.54 -0.33 0.00 -0.55 0.00 0.00 66.41 65.05 1f91 h THR 135 Cb 0.01 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 67.92 1f91 h THR 135 CO -0.04 0.04 -1.58 0.11 -0.25 0.00 0.00 175.52 173.80 1f91 h LYS 136 N 0.00 0.39 0.00 4.72 1.57 -1.38 -3.39 116.57 118.47 1f91 h LYS 136 Ca -0.00 -0.66 -0.16 0.00 -1.87 0.00 0.00 60.65 57.95 1f91 h LYS 136 Cb 0.48 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 1f91 h LYS 136 CO 0.00 1.29 -1.35 0.00 -0.57 0.00 0.00 179.45 178.83 1f91 h ALA 137 N 0.27 0.65 -3.02 3.86 0.00 -0.62 -3.37 119.26 117.04 1f91 h ALA 137 Ca -0.28 -0.82 -0.55 0.00 0.00 0.00 0.00 54.91 53.27 1f91 h ALA 137 Cb 2.09 0.25 0.13 0.00 0.00 0.00 0.00 17.79 20.27 1f91 h ALA 137 CO 0.20 0.90 0.64 0.00 0.00 0.00 0.00 179.25 180.99 1f91 s MET 138 N -2.92 3.29 0.59 0.00 0.23 -0.01 -4.05 119.30 116.43 1f91 s MET 138 Ca -0.02 2.29 0.31 0.00 -1.03 0.00 0.00 55.69 57.24 1f91 s MET 138 Cb 0.09 -2.37 1.86 0.00 -1.53 0.00 0.00 34.83 32.88 1f91 s MET 138 CO 0.81 -1.09 2.25 0.00 -2.03 0.00 0.00 175.02 174.96 1f91 h ALA 139 N 1.69 1.44 -0.51 3.16 0.00 -1.92 -2.08 119.26 121.05 1f91 h ALA 139 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1f91 h ALA 139 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1f91 h ALA 139 CO 0.58 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.72 1f91 n SER 140 N -3.74 3.32 -0.24 0.00 3.41 -1.26 -4.55 113.62 110.56 1f91 n SER 140 Ca -0.03 -2.18 0.04 0.00 -0.26 0.00 0.00 58.87 56.44 1f91 n SER 140 Cb 0.10 -0.44 0.16 0.00 -0.26 0.00 0.00 64.21 63.77 1f91 n SER 140 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1f91 h GLY 141 N 4.68 0.93 0.59 5.00 0.00 -1.60 -0.70 103.07 111.98 1f91 h GLY 141 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.42 1f91 h GLY 141 CO 0.10 -0.19 0.62 -2.08 0.00 0.00 0.00 176.54 174.99 1f91 h VAL 142 N 0.25 0.96 0.14 4.60 2.07 -1.84 0.52 116.25 122.95 1f91 h VAL 142 Ca 0.39 -0.34 -0.29 0.00 0.82 0.00 0.00 66.70 67.28 1f91 h VAL 142 Cb 0.65 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1f91 h VAL 142 CO -0.50 0.18 -1.47 0.77 0.02 0.00 0.00 177.57 176.57 1f91 h SER 143 N 0.99 0.46 -0.62 0.57 4.64 -1.44 -3.25 113.55 114.90 1f91 h SER 143 Ca 0.46 -0.89 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1f91 h SER 143 Cb 0.42 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1f91 h SER 143 CO -0.22 1.65 0.41 0.00 -0.87 0.00 0.00 176.83 177.80 1f91 h ALA 144 N 0.01 0.78 0.00 5.18 0.00 -0.96 -0.01 119.26 124.27 1f91 h ALA 144 Ca -0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1f91 h ALA 144 Cb 1.86 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1f91 h ALA 144 CO 0.10 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1f91 n LEU 146 N -2.55 2.83 -0.35 0.00 4.32 -0.98 -4.34 117.00 115.94 1f91 n LEU 146 Ca 0.02 -0.07 -0.03 0.00 -0.02 0.00 0.00 56.01 55.91 1f91 n LEU 146 Cb 0.30 -0.89 0.10 0.00 -1.62 0.00 0.00 43.42 41.31 1f91 n LEU 146 CO 0.25 0.89 1.22 0.00 -1.22 0.00 0.00 177.39 178.52 1f91 h ALA 147 N -0.14 1.21 0.63 -1.18 0.00 -1.07 -2.47 119.26 116.24 1f91 h ALA 147 Ca -0.60 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.17 1f91 h ALA 147 Cb 1.86 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 19.28 1f91 h ALA 147 CO -0.14 0.67 -0.30 1.15 0.00 0.00 0.00 179.25 180.62 1f91 h THR 148 N 1.29 0.20 -0.27 0.00 2.02 -1.75 -0.77 112.91 113.63 1f91 h THR 148 Ca 0.33 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 1f91 h THR 148 Cb -0.03 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 1f91 h THR 148 CO -0.06 0.03 -0.02 1.55 0.37 0.00 0.00 175.52 177.38 1f91 h PRO 149 N -1.11 0.41 -0.10 6.66 0.13 -1.75 -2.37 132.00 133.88 1f91 h PRO 149 Ca -0.09 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1f91 h PRO 149 Cb 0.69 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1f91 h PRO 149 CO 0.14 0.46 0.00 1.19 -0.23 0.00 0.00 178.00 179.57 1f91 n PHE 150 N -4.30 0.13 -3.72 1.56 3.01 -0.93 -4.92 117.46 108.29 1f91 n PHE 150 Ca 0.01 -0.07 -0.25 0.00 1.01 0.00 0.00 57.45 58.15 1f91 n PHE 150 Cb 0.23 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.76 1f91 n PHE 150 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1f91 n LYS 151 N -0.23 -6.48 -2.51 -1.08 4.76 -0.89 -4.62 118.16 107.10 1f91 n LYS 151 Ca 0.07 0.71 -0.42 0.00 -2.87 0.00 0.00 58.31 55.81 1f91 n LYS 151 Cb 0.12 -5.64 -0.03 0.00 -1.84 0.00 0.00 35.03 27.64 1f91 n LYS 151 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1f91 s ILE 152 N -3.36 4.27 -0.66 -0.18 -1.09 -0.32 -0.48 121.20 119.38 1f91 s ILE 152 Ca 0.49 1.65 0.09 0.00 -2.23 0.00 0.00 60.65 60.65 1f91 s ILE 152 Cb -0.23 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.54 1f91 s ILE 152 CO 0.78 0.14 0.51 1.41 -1.23 0.00 0.00 174.94 176.55 1f91 n HIS 153 N 3.81 0.00 -0.08 3.97 8.25 -1.24 -4.88 115.22 125.06 1f91 n HIS 153 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1f91 n HIS 153 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1f91 n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f91 n GLY 154 N 1.05 1.12 3.77 -1.41 0.00 0.10 -4.62 105.19 105.20 1f91 n GLY 154 Ca 0.03 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 1f91 n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f91 s VAL 155 N 0.98 2.69 -0.26 1.61 -7.23 -1.26 -4.84 120.40 112.08 1f91 s VAL 155 Ca 0.00 0.60 -0.02 0.00 -1.81 0.00 0.00 61.98 60.76 1f91 s VAL 155 Cb 0.00 -3.35 0.13 0.00 0.56 0.00 0.00 36.38 33.72 1f91 s VAL 155 CO 0.00 0.08 0.30 0.21 -0.31 0.00 0.00 175.10 175.38 1f91 s ASN 156 N -0.82 1.28 0.10 4.85 2.47 -1.26 0.01 114.94 121.58 1f91 s ASN 156 Ca 0.58 -0.44 -0.26 0.00 0.42 0.00 0.00 52.86 53.15 1f91 s ASN 156 Cb -0.37 0.62 0.08 0.00 -1.45 0.00 0.00 41.25 40.13 1f91 s ASN 156 CO 0.47 -0.36 1.08 -0.72 -3.72 0.00 0.00 177.10 173.85 1f91 s TYR 157 N 2.40 -0.08 0.03 0.43 1.13 -1.13 -5.01 117.35 115.12 1f91 s TYR 157 Ca 0.09 -0.17 0.06 0.00 -1.41 0.00 0.00 57.07 55.64 1f91 s TYR 157 Cb -0.14 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.30 1f91 s TYR 157 CO -0.25 -0.65 -0.14 -1.12 -2.51 0.00 0.00 175.55 170.88 1f91 s SER 158 N -3.03 4.09 -0.08 -0.18 0.01 -1.26 -2.92 113.70 110.34 1f91 s SER 158 Ca 0.14 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.09 1f91 s SER 158 Cb 0.00 -0.77 -0.02 0.00 0.21 0.00 0.00 66.02 65.44 1f91 s SER 158 CO 0.01 0.26 -0.13 -0.63 0.41 0.00 0.00 173.24 173.15 1f91 s ILE 159 N -0.96 3.11 -0.04 1.44 1.01 -1.26 -4.94 121.20 119.55 1f91 s ILE 159 Ca 0.16 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1f91 s ILE 159 Cb -0.11 -2.25 0.01 0.00 0.01 0.00 0.00 42.46 40.12 1f91 s ILE 159 CO 0.06 0.57 -0.12 -0.55 0.00 0.00 0.00 174.94 174.90 1f91 s SER 160 N -0.36 1.61 -0.40 3.58 0.15 -1.26 -4.18 113.70 112.84 1f91 s SER 160 Ca 0.04 -0.26 0.09 0.00 0.70 0.00 0.00 55.95 56.52 1f91 s SER 160 Cb -0.12 -0.56 0.39 0.00 -1.71 0.00 0.00 66.02 64.02 1f91 s SER 160 CO 0.02 0.07 1.34 -1.54 1.20 0.00 0.00 173.24 174.33 1f91 n SER 161 N 3.46 -1.86 0.00 5.45 3.41 -1.26 -4.91 113.62 117.90 1f91 n SER 161 Ca -0.20 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 55.88 1f91 n SER 161 Cb 0.53 1.03 0.00 0.00 -0.26 0.00 0.00 64.21 65.51 1f91 n SER 161 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f91 n ALA 162 N -0.54 0.00 0.35 7.33 0.00 -1.26 -1.37 120.51 125.02 1f91 n ALA 162 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1f91 n ALA 162 Cb 0.84 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.61 1f91 n ALA 162 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1f91 n SER 163 N 4.23 0.22 -0.29 0.00 7.64 -1.26 -2.09 113.62 122.07 1f91 n SER 163 Ca 0.00 0.57 0.11 0.00 1.01 0.00 0.00 58.87 60.56 1f91 n SER 163 Cb 0.00 -0.61 0.04 0.00 -1.01 0.00 0.00 64.21 62.63 1f91 n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f91 n ALA 164 N -1.60 3.82 -0.03 -0.43 0.00 -0.47 -4.21 120.51 117.58 1f91 n ALA 164 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1f91 n ALA 164 Cb 0.14 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1f91 n ALA 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1f91 n THR 165 N -0.62 0.00 0.31 0.00 -1.04 -0.89 -1.04 114.28 111.01 1f91 n THR 165 Ca 0.08 1.05 0.16 0.00 -2.04 0.00 0.00 64.05 63.30 1f91 n THR 165 Cb 0.40 -1.40 0.71 0.00 -1.82 0.00 0.00 70.33 68.22 1f91 n THR 165 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1f91 h SER 166 N 0.00 0.00 -0.09 8.00 4.64 -1.78 -1.94 113.55 122.39 1f91 h SER 166 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1f91 h SER 166 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1f91 h SER 166 CO 0.00 0.00 -0.70 0.00 -0.87 0.00 0.00 176.83 175.26 1f91 h ALA 167 N 2.08 0.20 -0.25 5.18 0.00 -1.35 -2.68 119.26 122.45 1f91 h ALA 167 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 1f91 h ALA 167 Cb 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1f91 h ALA 167 CO 0.00 0.52 -0.20 0.45 0.00 0.00 0.00 179.25 180.02 1f91 h HIS 168 N 0.27 0.49 -0.74 0.00 -0.00 -0.67 -1.38 115.15 113.14 1f91 h HIS 168 Ca -0.06 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.21 1f91 h HIS 168 Cb 1.35 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 28.60 1f91 h HIS 168 CO 0.11 0.63 0.43 0.00 -0.00 0.00 0.00 177.93 179.10 1f91 h ILE 170 N 1.01 1.26 -0.65 0.00 2.04 -1.13 -1.21 117.51 118.84 1f91 h ILE 170 Ca 0.26 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1f91 h ILE 170 Cb -0.01 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1f91 h ILE 170 CO -0.05 0.34 0.28 1.23 0.00 0.00 0.00 178.15 179.95 1f91 h GLY 171 N 0.46 1.02 1.43 5.37 0.00 -0.84 -1.31 103.07 109.20 1f91 h GLY 171 Ca 0.10 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1f91 h GLY 171 CO 0.02 0.50 -0.21 -0.57 0.00 0.00 0.00 176.54 176.29 1f91 h ASN 172 N 0.90 0.67 -0.65 0.19 -0.00 -0.65 -1.96 115.58 114.09 1f91 h ASN 172 Ca 0.22 -0.23 -0.01 0.00 -0.00 0.00 0.00 56.30 56.28 1f91 h ASN 172 Cb 0.16 -0.18 -0.03 0.00 -0.00 0.00 0.00 38.32 38.27 1f91 h ASN 172 CO -0.02 0.87 0.35 0.00 -0.00 0.00 0.00 177.43 178.63 1f91 h ALA 173 N 1.18 0.84 -0.53 1.57 0.00 -0.83 -0.85 119.26 120.63 1f91 h ALA 173 Ca 0.09 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1f91 h ALA 173 Cb 0.67 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1f91 h ALA 173 CO 0.05 0.36 0.29 0.28 0.00 0.00 0.00 179.25 180.23 1f91 h VAL 174 N 0.89 0.98 -0.43 0.00 2.07 -0.82 -2.13 116.25 116.81 1f91 h VAL 174 Ca 0.23 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1f91 h VAL 174 Cb 0.05 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1f91 h VAL 174 CO -0.04 0.10 0.06 -0.33 0.02 0.00 0.00 177.57 177.39 1f91 h GLU 175 N 0.56 0.66 -0.79 1.57 5.08 -0.65 -1.11 114.58 119.91 1f91 h GLU 175 Ca 0.23 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1f91 h GLU 175 Cb 0.11 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1f91 h GLU 175 CO -0.15 0.64 0.46 1.96 -1.00 0.00 0.00 179.01 180.92 1f91 h GLN 176 N 0.64 1.08 -0.11 2.33 1.08 -0.53 -1.26 115.11 118.34 1f91 h GLN 176 Ca 0.14 -0.11 -0.17 0.00 -1.45 0.00 0.00 58.65 57.06 1f91 h GLN 176 Cb 0.31 -0.22 0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1f91 h GLN 176 CO 0.00 0.77 -0.60 0.82 -0.95 0.00 0.00 178.83 178.87 1f91 h ILE 177 N 1.09 1.34 0.00 2.54 2.04 -1.04 -2.09 117.51 121.39 1f91 h ILE 177 Ca 0.28 -1.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.23 1f91 h ILE 177 Cb -0.01 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1f91 h ILE 177 CO -0.05 0.58 -0.07 1.56 0.00 0.00 0.00 178.15 180.16 1f91 h GLN 178 N 0.23 0.00 -0.00 2.37 4.20 -0.89 0.71 115.11 121.74 1f91 h GLN 178 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1f91 h GLN 178 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1f91 h GLN 178 CO 0.12 0.07 -0.04 1.28 -0.67 0.00 0.00 178.83 179.60 1f91 n LEU 179 N -4.33 0.11 -0.19 1.46 4.77 -0.50 -4.44 117.00 113.87 1f91 n LEU 179 Ca -0.03 0.24 -0.03 0.00 -0.03 0.00 0.00 56.01 56.16 1f91 n LEU 179 Cb 0.15 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1f91 n LEU 179 CO 0.34 0.02 -0.02 0.61 -1.33 0.00 0.00 177.39 177.01 1f91 n GLY 180 N 1.30 0.58 0.09 -0.72 0.00 0.24 -4.92 105.19 101.77 1f91 n GLY 180 Ca 0.14 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 1f91 n GLY 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f91 h LYS 181 N 0.35 0.00 -4.52 1.61 1.57 -1.58 -3.47 116.57 110.53 1f91 h LYS 181 Ca -0.05 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.50 1f91 h LYS 181 Cb 0.26 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.39 1f91 h LYS 181 CO 0.08 0.61 -0.71 -0.65 -0.57 0.00 0.00 179.45 178.21 1f91 s GLN 182 N -2.79 0.63 -0.13 3.15 -1.52 -1.16 -4.72 119.66 113.11 1f91 s GLN 182 Ca -0.00 -1.00 0.14 0.00 -1.95 0.00 0.00 55.36 52.54 1f91 s GLN 182 Cb 0.09 -0.18 -0.19 0.00 -0.22 0.00 0.00 33.01 32.51 1f91 s GLN 182 CO 0.80 0.00 0.08 -0.25 -0.25 0.00 0.00 175.29 175.68 1f91 n ASP 183 N 0.79 1.33 -3.79 5.90 8.00 0.34 -4.30 116.55 124.82 1f91 n ASP 183 Ca -0.18 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.19 1f91 n ASP 183 Cb 0.58 0.96 -0.14 0.00 -0.02 0.00 0.00 41.12 42.49 1f91 n ASP 183 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1f91 s ILE 184 N -2.44 -0.03 -0.04 0.53 1.01 -0.99 -1.33 121.20 117.90 1f91 s ILE 184 Ca -0.07 0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1f91 s ILE 184 Cb 0.05 -0.15 0.03 0.00 0.01 0.00 0.00 42.46 42.40 1f91 s ILE 184 CO 0.62 0.05 0.03 -0.69 0.00 0.00 0.00 174.94 174.94 1f91 s VAL 185 N 0.67 0.07 -0.25 2.92 1.01 0.01 -0.91 120.40 123.92 1f91 s VAL 185 Ca -0.05 0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 1f91 s VAL 185 Cb -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1f91 s VAL 185 CO -0.03 0.18 0.94 -0.36 0.00 0.00 0.00 175.10 175.83 1f91 s PHE 186 N 1.71 3.30 -0.04 5.22 0.40 -0.18 -1.63 117.98 126.75 1f91 s PHE 186 Ca -0.00 1.26 0.06 0.00 -0.60 0.00 0.00 56.93 57.65 1f91 s PHE 186 Cb -0.13 -3.21 -0.01 0.00 0.51 0.00 0.00 43.02 40.18 1f91 s PHE 186 CO -0.03 -0.48 -0.22 0.00 0.70 0.00 0.00 175.22 175.19 1f91 s ALA 187 N 3.08 1.89 0.00 5.36 0.00 -0.21 -1.05 121.76 130.82 1f91 s ALA 187 Ca 0.40 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1f91 s ALA 187 Cb -0.15 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1f91 s ALA 187 CO 0.08 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.63 1f91 n GLY 188 N 2.90 -0.76 4.01 0.00 0.00 -1.09 0.47 105.19 110.72 1f91 n GLY 188 Ca -0.17 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.56 1f91 n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f91 s GLY 189 N 0.00 -0.22 0.15 -0.02 0.00 -0.42 -2.95 107.32 103.86 1f91 s GLY 189 Ca 0.00 0.19 -0.20 0.00 0.00 0.00 0.00 44.72 44.71 1f91 s GLY 189 CO 0.00 6.52 0.52 -0.32 0.00 0.00 0.00 173.10 179.82 1f91 s GLY 190 N -3.91 -0.44 -0.17 0.20 0.00 -0.99 -1.70 107.32 100.31 1f91 s GLY 190 Ca 0.31 0.22 -0.10 0.00 0.00 0.00 0.00 44.72 45.15 1f91 s GLY 190 CO -0.03 -0.05 0.42 1.85 0.00 0.00 0.00 173.10 175.29 1f91 s GLU 191 N -3.78 0.42 0.72 2.90 2.56 -0.45 -4.22 118.70 116.85 1f91 s GLU 191 Ca 0.02 0.77 -0.11 0.00 0.00 0.00 0.00 54.97 55.65 1f91 s GLU 191 Cb 0.00 0.02 0.02 0.00 2.00 0.00 0.00 34.13 36.17 1f91 s GLU 191 CO -0.12 -0.14 1.09 -1.83 -0.56 0.00 0.00 175.26 173.70 1f91 s GLU 192 N 1.23 2.74 -0.20 4.30 -1.05 -1.26 -1.84 118.70 122.63 1f91 s GLU 192 Ca -0.08 0.54 0.01 0.00 -0.15 0.00 0.00 54.97 55.29 1f91 s GLU 192 Cb -0.07 -2.00 0.04 0.00 -0.44 0.00 0.00 34.13 31.65 1f91 s GLU 192 CO -0.11 -1.13 -0.14 -1.17 0.95 0.00 0.00 175.26 173.66 1f91 s LEU 193 N -5.45 2.36 0.07 1.83 2.96 -1.26 -4.74 118.68 114.46 1f91 s LEU 193 Ca 0.58 -0.85 -0.26 0.00 -0.22 0.00 0.00 54.13 53.38 1f91 s LEU 193 Cb -0.12 -1.36 0.08 0.00 0.50 0.00 0.00 46.19 45.29 1f91 s LEU 193 CO 0.53 -0.10 0.67 0.00 -1.32 0.00 0.00 176.35 176.13 1f91 h TRP 195 N 2.30 0.00 -0.95 0.00 5.08 -1.97 -1.42 115.95 118.98 1f91 h TRP 195 Ca -0.30 0.00 0.16 0.00 1.08 0.00 0.00 58.89 59.83 1f91 h TRP 195 Cb 1.25 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 27.33 1f91 h TRP 195 CO 0.28 0.42 0.60 0.93 -1.28 0.00 0.00 178.44 179.39 1f91 h GLU 196 N 0.00 0.73 0.07 0.12 3.07 -1.96 -0.43 114.58 116.19 1f91 h GLU 196 Ca -0.00 -0.04 -0.32 0.00 -0.50 0.00 0.00 59.36 58.50 1f91 h GLU 196 Cb 0.76 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.48 1f91 h GLU 196 CO 0.05 0.49 -1.74 -0.12 -1.40 0.00 0.00 179.01 176.29 1f91 n MET 197 N -4.62 0.67 -0.28 2.33 1.56 -1.12 -4.44 117.12 111.22 1f91 n MET 197 Ca 0.20 0.39 0.02 0.00 -0.27 0.00 0.00 57.70 58.03 1f91 n MET 197 Cb 0.50 -1.71 0.15 0.00 2.15 0.00 0.00 33.22 34.30 1f91 n MET 197 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1f91 h ALA 198 N -0.19 1.12 -0.19 -5.12 0.00 -0.93 -1.76 119.26 112.19 1f91 h ALA 198 Ca -0.41 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.58 1f91 h ALA 198 Cb 1.72 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1f91 h ALA 198 CO -0.05 0.12 0.13 0.00 0.00 0.00 0.00 179.25 179.45 1f91 h GLU 200 N 0.00 1.11 -0.05 0.00 5.08 -1.53 0.21 114.58 119.40 1f91 h GLU 200 Ca 0.09 -0.23 -0.23 0.00 -1.00 0.00 0.00 59.36 58.00 1f91 h GLU 200 Cb 0.36 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1f91 h GLU 200 CO -0.00 0.94 -0.89 0.74 -1.00 0.00 0.00 179.01 178.79 1f91 h PHE 201 N 1.07 0.80 -0.89 4.33 0.04 -1.24 -3.07 116.94 117.98 1f91 h PHE 201 Ca 0.24 -0.40 -0.02 0.00 2.80 0.00 0.00 57.97 60.59 1f91 h PHE 201 Cb 0.28 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 1f91 h PHE 201 CO 0.02 1.21 0.48 0.22 -0.60 0.00 0.00 178.31 179.65 1f91 h ASP 202 N 0.34 1.11 0.10 2.17 1.82 -0.96 -1.47 116.42 119.53 1f91 h ASP 202 Ca -0.08 -0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.44 1f91 h ASP 202 Cb 1.52 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 41.24 1f91 h ASP 202 CO 0.17 0.89 -0.09 0.00 -1.61 0.00 0.00 179.24 178.60 1f91 h ALA 203 N 1.28 1.78 -0.65 -0.78 0.00 -0.50 -1.06 119.26 119.33 1f91 h ALA 203 Ca 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1f91 h ALA 203 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1f91 h ALA 203 CO -0.05 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1f91 n MET 204 N -4.33 2.54 -2.27 0.00 0.00 -0.86 -4.95 117.12 107.26 1f91 n MET 204 Ca -0.03 -2.39 -0.13 0.00 0.00 0.00 0.00 57.70 55.15 1f91 n MET 204 Cb 0.16 -1.52 -0.00 0.00 0.00 0.00 0.00 33.22 31.86 1f91 n MET 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1f91 n GLY 205 N 1.56 -0.15 0.12 3.17 0.00 -0.40 -4.94 105.19 104.55 1f91 n GLY 205 Ca 0.22 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.97 1f91 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f91 h ALA 206 N 0.60 0.58 -2.57 4.61 0.00 -1.50 -3.47 119.26 117.51 1f91 h ALA 206 Ca -0.30 -0.26 -0.55 0.00 0.00 0.00 0.00 54.91 53.79 1f91 h ALA 206 Cb 1.22 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1f91 h ALA 206 CO 0.36 0.29 -0.12 -0.51 0.00 0.00 0.00 179.25 179.26 1f91 s LEU 207 N -5.58 4.26 0.23 0.00 1.43 -1.26 -1.13 118.68 116.63 1f91 s LEU 207 Ca -0.01 0.96 -0.30 0.00 -1.03 0.00 0.00 54.13 53.75 1f91 s LEU 207 Cb 0.09 -3.42 -0.10 0.00 0.03 0.00 0.00 46.19 42.78 1f91 s LEU 207 CO 0.79 0.03 1.50 -0.55 0.23 0.00 0.00 176.35 178.35 1f91 s SER 208 N -2.03 6.59 0.00 2.29 0.15 -0.37 -4.66 113.70 115.67 1f91 s SER 208 Ca 0.42 2.70 0.00 0.00 0.70 0.00 0.00 55.95 59.77 1f91 s SER 208 Cb -0.13 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1f91 s SER 208 CO 0.20 -0.77 0.00 0.35 1.20 0.00 0.00 173.24 174.22 1f91 n THR 209 N 2.72 0.00 1.13 6.45 -2.24 -1.26 -4.35 114.28 116.73 1f91 n THR 209 Ca 0.09 -0.11 0.14 0.00 -2.27 0.00 0.00 64.05 61.90 1f91 n THR 209 Cb 0.39 0.55 0.59 0.00 -2.10 0.00 0.00 70.33 69.75 1f91 n THR 209 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1f91 n LYS 210 N -0.80 0.17 -0.86 -0.78 5.02 -1.26 -4.14 118.16 115.50 1f91 n LYS 210 Ca 0.00 -0.03 0.03 0.00 -2.02 0.00 0.00 58.31 56.29 1f91 n LYS 210 Cb 0.00 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.68 1f91 n LYS 210 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1f91 n TYR 211 N -1.39 0.28 0.28 2.13 4.02 -1.26 -4.79 117.16 116.43 1f91 n TYR 211 Ca 0.09 -1.48 0.12 0.00 -0.01 0.00 0.00 57.90 56.63 1f91 n TYR 211 Cb 0.31 -0.25 0.80 0.00 -0.02 0.00 0.00 39.34 40.18 1f91 n TYR 211 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1f91 h ASN 212 N 1.14 0.00 1.79 7.72 2.35 -1.92 -1.65 115.58 125.00 1f91 h ASN 212 Ca 0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1f91 h ASN 212 Cb 1.15 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.52 1f91 h ASN 212 CO 0.09 0.01 -0.10 0.44 -1.65 0.00 0.00 177.43 176.22 1f91 h ASP 213 N 0.00 0.00 -2.12 5.81 3.32 -1.94 -3.34 116.42 118.15 1f91 h ASP 213 Ca -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1f91 h ASP 213 Cb 0.02 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.16 1f91 h ASP 213 CO 0.00 0.10 -0.83 0.35 -1.72 0.00 0.00 179.24 177.13 1f91 n THR 214 N -3.13 0.90 -0.34 0.35 -2.24 -0.63 -4.98 114.28 104.20 1f91 n THR 214 Ca 0.03 -4.63 0.26 0.00 -2.27 0.00 0.00 64.05 57.43 1f91 n THR 214 Cb 0.54 -2.03 0.50 0.00 -2.10 0.00 0.00 70.33 67.25 1f91 n THR 214 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1f91 h PRO 215 N 4.14 0.28 0.00 -0.78 0.11 -1.66 -0.32 132.00 133.77 1f91 h PRO 215 Ca 0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1f91 h PRO 215 Cb 0.77 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1f91 h PRO 215 CO 0.66 0.18 0.00 0.39 -0.21 0.00 0.00 178.00 179.02 1f91 n GLU 216 N -5.00 0.11 -0.05 1.05 1.02 -1.26 -2.71 120.64 113.81 1f91 n GLU 216 Ca 0.32 0.36 0.06 0.00 -0.02 0.00 0.00 57.16 57.88 1f91 n GLU 216 Cb 1.04 -1.72 0.08 0.00 -0.02 0.00 0.00 31.44 30.82 1f91 n GLU 216 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1f91 n LYS 217 N -1.94 1.18 -0.05 3.49 5.02 -0.13 -4.65 118.16 121.08 1f91 n LYS 217 Ca 0.03 -1.41 -0.12 0.00 -2.02 0.00 0.00 58.31 54.79 1f91 n LYS 217 Cb 0.20 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 1f91 n LYS 217 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f91 h ALA 218 N 2.24 0.20 -2.10 7.82 0.00 -1.51 -3.40 119.26 122.52 1f91 h ALA 218 Ca 0.00 -0.17 -0.59 0.00 0.00 0.00 0.00 54.91 54.14 1f91 h ALA 218 Cb 0.55 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 1f91 h ALA 218 CO 0.00 -0.12 0.56 0.45 0.00 0.00 0.00 179.25 180.13 1f91 s SER 219 N -5.72 6.71 -0.42 0.00 0.15 -1.26 -4.75 113.70 108.41 1f91 s SER 219 Ca -0.14 0.67 0.09 0.00 0.70 0.00 0.00 55.95 57.26 1f91 s SER 219 Cb 0.06 -2.45 0.31 0.00 -1.71 0.00 0.00 66.02 62.22 1f91 s SER 219 CO 0.71 -0.77 0.82 -2.11 1.20 0.00 0.00 173.24 173.09 1f91 n ARG 220 N 6.57 0.91 -1.57 5.44 1.85 -1.26 -4.67 116.66 123.93 1f91 n ARG 220 Ca 0.06 -2.71 -0.51 0.00 -1.00 0.00 0.00 57.85 53.69 1f91 n ARG 220 Cb 0.48 -1.39 -0.05 0.00 -1.05 0.00 0.00 32.46 30.45 1f91 n ARG 220 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1f91 n THR 221 N 0.71 0.52 -0.89 8.89 -1.04 -1.26 -1.30 114.28 119.91 1f91 n THR 221 Ca 0.17 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1f91 n THR 221 Cb 0.64 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 1f91 n THR 221 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1f91 n TYR 222 N 1.83 0.00 -2.89 -1.42 4.01 -1.26 -4.78 117.16 112.64 1f91 n TYR 222 Ca 0.17 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.53 1f91 n TYR 222 Cb 0.21 -0.40 -0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1f91 n TYR 222 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1f91 s ASP 223 N -2.64 7.29 0.58 7.72 2.15 -0.42 -1.59 116.67 129.77 1f91 s ASP 223 Ca 0.00 1.70 0.28 0.00 0.43 0.00 0.00 52.55 54.96 1f91 s ASP 223 Cb 0.00 -2.53 1.73 0.00 -0.30 0.00 0.00 42.92 41.82 1f91 s ASP 223 CO 0.00 0.02 2.21 0.00 -0.17 0.00 0.00 175.17 177.23 1f91 h ALA 224 N 3.48 1.64 -0.52 3.66 0.00 -0.24 -2.86 119.26 124.41 1f91 h ALA 224 Ca -0.47 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 1f91 h ALA 224 Cb 1.19 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 1f91 h ALA 224 CO 0.65 -0.06 0.14 0.72 0.00 0.00 0.00 179.25 180.70 1f91 n HIS 225 N -3.92 1.68 -2.03 0.00 8.25 -1.26 -5.00 115.22 112.94 1f91 n HIS 225 Ca -0.02 -1.39 -0.37 0.00 -0.26 0.00 0.00 57.72 55.69 1f91 n HIS 225 Cb 0.13 -0.57 0.02 0.00 1.12 0.00 0.00 29.99 30.70 1f91 n HIS 225 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1f91 s ARG 226 N -3.11 3.18 -0.23 -0.41 1.70 -1.08 -4.96 118.95 114.03 1f91 s ARG 226 Ca 0.48 1.88 0.23 0.00 -0.47 0.00 0.00 55.73 57.86 1f91 s ARG 226 Cb 0.41 -2.09 0.50 0.00 -0.57 0.00 0.00 34.95 33.20 1f91 s ARG 226 CO 0.07 -1.06 1.12 -0.40 -1.08 0.00 0.00 175.30 173.95 1f91 n ASP 227 N -1.25 1.59 0.00 -2.89 5.75 -1.26 -4.65 116.55 113.84 1f91 n ASP 227 Ca 0.12 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1f91 n ASP 227 Cb 0.48 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1f91 n ASP 227 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f91 n GLY 228 N -0.47 2.52 3.92 6.12 0.00 -1.06 -3.62 105.19 112.60 1f91 n GLY 228 Ca 0.08 -2.09 -0.26 0.00 0.00 0.00 0.00 46.02 43.75 1f91 n GLY 228 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1f91 s PHE 229 N -2.23 3.22 -0.27 1.61 -0.12 -0.29 -3.91 117.98 116.00 1f91 s PHE 229 Ca 0.00 0.58 -0.06 0.00 -0.05 0.00 0.00 56.93 57.40 1f91 s PHE 229 Cb 0.00 -2.74 -0.01 0.00 -0.63 0.00 0.00 43.02 39.65 1f91 s PHE 229 CO 0.00 -0.83 0.05 0.08 -0.05 0.00 0.00 175.22 174.47 1f91 s VAL 230 N -2.97 3.95 0.38 -2.49 1.01 -1.26 -1.24 120.40 117.78 1f91 s VAL 230 Ca 0.54 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.75 1f91 s VAL 230 Cb -0.10 -2.93 -0.10 0.00 0.00 0.00 0.00 36.38 33.25 1f91 s VAL 230 CO 0.44 0.23 1.35 -0.51 0.00 0.00 0.00 175.10 176.61 1f91 s ILE 231 N 1.53 2.50 0.23 2.22 2.07 -1.26 -0.35 121.20 128.14 1f91 s ILE 231 Ca 0.04 0.48 -0.02 0.00 -1.41 0.00 0.00 60.65 59.74 1f91 s ILE 231 Cb -0.16 -3.29 -0.03 0.00 0.13 0.00 0.00 42.46 39.10 1f91 s ILE 231 CO 0.02 0.09 0.22 0.00 -1.91 0.00 0.00 174.94 173.36 1f91 s ALA 232 N -1.19 1.01 0.26 1.50 0.00 -0.30 -0.62 121.76 122.42 1f91 s ALA 232 Ca 0.54 -1.61 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1f91 s ALA 232 Cb -0.41 1.34 -0.02 0.00 0.00 0.00 0.00 23.12 24.04 1f91 s ALA 232 CO 0.54 -0.65 0.26 0.41 0.00 0.00 0.00 175.76 176.32 1f91 n GLY 233 N -0.34 2.96 0.00 0.00 0.00 -0.77 -4.21 105.19 102.82 1f91 n GLY 233 Ca 0.02 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1f91 n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f91 n GLY 234 N -0.49 0.71 3.51 -0.02 0.00 -0.76 -4.31 105.19 103.82 1f91 n GLY 234 Ca 0.05 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 43.90 1f91 n GLY 234 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f91 s GLY 235 N 0.00 0.63 -0.02 -0.02 0.00 0.22 -1.34 107.32 106.78 1f91 s GLY 235 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 1f91 s GLY 235 CO 0.00 -0.74 0.73 -0.32 0.00 0.00 0.00 173.10 172.77 1f91 s GLY 236 N -3.03 -0.53 -0.20 0.20 0.00 -0.69 -1.23 107.32 101.85 1f91 s GLY 236 Ca 0.24 1.26 -0.17 0.00 0.00 0.00 0.00 44.72 46.04 1f91 s GLY 236 CO 0.08 0.78 0.52 -0.29 0.00 0.00 0.00 173.10 174.18 1f91 s MET 237 N -1.80 0.59 0.14 2.90 1.75 -0.89 -1.31 119.30 120.68 1f91 s MET 237 Ca -0.06 0.75 0.07 0.00 -1.25 0.00 0.00 55.69 55.20 1f91 s MET 237 Cb -0.00 0.26 -0.04 0.00 2.84 0.00 0.00 34.83 37.88 1f91 s MET 237 CO 0.03 -0.08 -0.16 0.14 -0.65 0.00 0.00 175.02 174.29 1f91 s VAL 238 N 0.46 1.55 -0.44 10.11 -7.23 0.18 -1.46 120.40 123.56 1f91 s VAL 238 Ca -0.01 -1.79 -0.15 0.00 -1.81 0.00 0.00 61.98 58.21 1f91 s VAL 238 Cb -0.04 -1.66 0.05 0.00 0.56 0.00 0.00 36.38 35.28 1f91 s VAL 238 CO -0.02 -0.36 0.36 -0.69 -0.31 0.00 0.00 175.10 174.08 1f91 s VAL 239 N -2.06 5.24 -0.25 1.32 1.01 -0.14 -1.05 120.40 124.47 1f91 s VAL 239 Ca 0.12 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 1f91 s VAL 239 Cb -0.05 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1f91 s VAL 239 CO 0.04 -0.46 0.47 -0.69 0.00 0.00 0.00 175.10 174.47 1f91 s VAL 240 N 1.68 5.11 0.05 2.92 1.01 -0.65 -1.64 120.40 128.89 1f91 s VAL 240 Ca 0.05 0.79 0.03 0.00 0.00 0.00 0.00 61.98 62.85 1f91 s VAL 240 Cb -0.22 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1f91 s VAL 240 CO 0.08 0.13 -0.10 -0.70 0.00 0.00 0.00 175.10 174.51 1f91 s GLU 241 N 2.07 0.64 0.30 2.72 2.12 0.27 -0.81 118.70 126.01 1f91 s GLU 241 Ca 0.20 -0.78 -0.29 0.00 0.36 0.00 0.00 54.97 54.45 1f91 s GLU 241 Cb -0.16 -0.52 -0.10 0.00 0.26 0.00 0.00 34.13 33.62 1f91 s GLU 241 CO 0.09 0.11 1.25 -2.00 -0.54 0.00 0.00 175.26 174.17 1f91 s GLU 242 N -1.51 4.44 0.12 4.30 -6.30 -0.44 -0.75 118.70 118.55 1f91 s GLU 242 Ca -0.06 2.08 -0.31 0.00 -2.50 0.00 0.00 54.97 54.18 1f91 s GLU 242 Cb -0.09 -3.12 -0.09 0.00 0.00 0.00 0.00 34.13 30.82 1f91 s GLU 242 CO 0.01 -0.09 1.58 1.25 0.02 0.00 0.00 175.26 178.03 1f91 h LEU 243 N 3.80 -1.35 -0.99 2.70 5.85 -1.19 -1.42 115.31 122.72 1f91 h LEU 243 Ca -0.48 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.45 1f91 h LEU 243 Cb 1.22 0.52 -0.06 0.00 0.37 0.00 0.00 40.66 42.71 1f91 h LEU 243 CO 0.68 -0.48 0.65 -0.33 -0.34 0.00 0.00 178.44 178.61 1f91 h GLU 244 N -0.61 1.19 -0.65 1.25 4.39 -1.93 0.90 114.58 119.12 1f91 h GLU 244 Ca 0.04 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1f91 h GLU 244 Cb 0.68 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1f91 h GLU 244 CO -0.31 0.79 0.31 1.25 -1.16 0.00 0.00 179.01 179.89 1f91 h HIS 245 N 1.23 0.91 -0.13 4.33 2.76 -1.88 0.23 115.15 122.61 1f91 h HIS 245 Ca 0.41 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.42 1f91 h HIS 245 Cb 0.05 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.72 1f91 h HIS 245 CO -0.00 0.67 -0.41 0.00 -1.30 0.00 0.00 177.93 176.89 1f91 h ALA 246 N 1.42 0.22 -0.73 5.26 0.00 -0.10 -3.09 119.26 122.24 1f91 h ALA 246 Ca 0.23 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1f91 h ALA 246 Cb 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1f91 h ALA 246 CO -0.03 0.33 0.20 -0.07 0.00 0.00 0.00 179.25 179.68 1f91 h LEU 247 N 0.10 1.09 -1.97 0.00 3.38 -0.68 -1.58 115.31 115.65 1f91 h LEU 247 Ca -0.01 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.79 1f91 h LEU 247 Cb 1.03 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1f91 h LEU 247 CO 0.09 1.02 0.16 0.00 0.09 0.00 0.00 178.44 179.80 1f91 h ALA 248 N 1.11 2.17 -0.46 1.53 0.00 -0.95 -1.02 119.26 121.63 1f91 h ALA 248 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1f91 h ALA 248 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1f91 h ALA 248 CO -0.00 -0.22 0.00 2.89 0.00 0.00 0.00 179.25 181.91 1f91 n ARG 249 N -4.48 3.44 -3.70 0.00 1.85 -1.09 -4.96 116.66 107.71 1f91 n ARG 249 Ca 0.02 -2.73 -0.24 0.00 -1.00 0.00 0.00 57.85 53.90 1f91 n ARG 249 Cb 0.28 -1.79 0.05 0.00 -1.05 0.00 0.00 32.46 29.96 1f91 n ARG 249 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1f91 n GLY 250 N 0.46 -0.44 3.83 2.89 0.00 -0.39 -4.96 105.19 106.58 1f91 n GLY 250 Ca 0.22 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 1f91 n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f91 s ALA 251 N -3.41 2.88 -0.10 4.61 0.00 -0.62 -5.01 121.76 120.11 1f91 s ALA 251 Ca 0.37 0.20 -0.27 0.00 0.00 0.00 0.00 51.96 52.26 1f91 s ALA 251 Cb -0.18 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1f91 s ALA 251 CO 0.78 -0.71 0.89 -1.58 0.00 0.00 0.00 175.76 175.14 1f91 s HIS 252 N -2.73 3.52 -0.30 0.00 5.65 -1.26 -4.88 115.29 115.28 1f91 s HIS 252 Ca 0.60 1.43 -0.07 0.00 0.25 0.00 0.00 55.06 57.27 1f91 s HIS 252 Cb -0.13 -3.05 0.01 0.00 -1.18 0.00 0.00 32.58 28.23 1f91 s HIS 252 CO 0.41 -0.14 0.09 0.42 -0.65 0.00 0.00 174.74 174.88 1f91 s ILE 253 N 1.68 4.01 0.00 0.89 1.01 -1.26 -4.36 121.20 123.18 1f91 s ILE 253 Ca 0.43 -0.73 -0.24 0.00 0.00 0.00 0.00 60.65 60.12 1f91 s ILE 253 Cb -0.18 -3.10 -0.18 0.00 0.01 0.00 0.00 42.46 39.01 1f91 s ILE 253 CO 0.18 0.04 1.32 1.88 0.00 0.00 0.00 174.94 178.36 1f91 h TYR 254 N 8.25 0.13 -1.66 3.97 0.05 -1.56 -3.46 116.97 122.69 1f91 h TYR 254 Ca -0.30 -0.04 0.29 0.00 0.05 0.00 0.00 58.73 58.73 1f91 h TYR 254 Cb 1.12 -0.03 -0.11 0.00 1.01 0.00 0.00 36.73 38.72 1f91 h TYR 254 CO 0.61 0.54 0.75 0.00 -1.05 0.00 0.00 178.16 179.00 1f91 s ALA 255 N -4.40 -2.09 -0.08 3.88 0.00 -1.24 -4.69 121.76 113.13 1f91 s ALA 255 Ca -0.15 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 1f91 s ALA 255 Cb 0.03 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1f91 s ALA 255 CO 0.70 -1.04 -0.01 -2.00 0.00 0.00 0.00 175.76 173.41 1f91 s GLU 256 N -2.63 2.95 -0.42 0.00 2.12 -0.15 -1.19 118.70 119.37 1f91 s GLU 256 Ca 0.14 -0.43 -0.24 0.00 0.36 0.00 0.00 54.97 54.80 1f91 s GLU 256 Cb 0.03 -2.77 0.02 0.00 0.26 0.00 0.00 34.13 31.68 1f91 s GLU 256 CO -0.02 0.70 0.83 0.42 -0.54 0.00 0.00 175.26 176.64 1f91 s ILE 257 N -0.88 4.63 -1.63 -3.70 1.01 -0.04 -1.26 121.20 119.33 1f91 s ILE 257 Ca 0.13 0.68 0.16 0.00 0.00 0.00 0.00 60.65 61.63 1f91 s ILE 257 Cb -0.11 -4.32 0.04 0.00 0.01 0.00 0.00 42.46 38.08 1f91 s ILE 257 CO 0.02 -0.65 0.90 1.33 0.00 0.00 0.00 174.94 176.54 1f91 n VAL 258 N 6.10 0.00 -3.66 2.92 0.24 -0.44 -4.56 118.33 118.93 1f91 n VAL 258 Ca 0.04 -0.39 -0.12 0.00 -2.04 0.00 0.00 64.34 61.82 1f91 n VAL 258 Cb 0.48 1.24 -0.08 0.00 -1.47 0.00 0.00 33.84 34.01 1f91 n VAL 258 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1f91 s GLY 259 N -1.70 -0.49 -0.13 7.63 0.00 -1.12 -4.75 107.32 106.77 1f91 s GLY 259 Ca 0.15 1.86 -0.04 0.00 0.00 0.00 0.00 44.72 46.69 1f91 s GLY 259 CO 0.33 1.68 0.23 -0.47 0.00 0.00 0.00 173.10 174.88 1f91 s TYR 260 N 0.63 -0.34 -0.00 1.90 5.04 -1.26 -0.94 117.35 122.38 1f91 s TYR 260 Ca -0.02 0.76 0.08 0.00 -2.44 0.00 0.00 57.07 55.44 1f91 s TYR 260 Cb -0.05 -0.15 -0.02 0.00 0.35 0.00 0.00 41.96 42.09 1f91 s TYR 260 CO -0.04 -0.37 -0.26 0.20 -1.34 0.00 0.00 175.55 173.74 1f91 s GLY 261 N 2.37 1.29 -0.20 8.97 0.00 -0.51 -4.49 107.32 114.75 1f91 s GLY 261 Ca 0.03 -1.15 -0.04 0.00 0.00 0.00 0.00 44.72 43.56 1f91 s GLY 261 CO -0.08 -0.98 0.22 0.00 0.00 0.00 0.00 173.10 172.26 1f91 s ALA 262 N -0.65 -0.27 0.40 3.20 0.00 -1.26 -1.22 121.76 121.95 1f91 s ALA 262 Ca 0.10 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.37 1f91 s ALA 262 Cb -0.10 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1f91 s ALA 262 CO -0.00 -1.20 0.09 0.95 0.00 0.00 0.00 175.76 175.61 1f91 s THR 263 N 2.33 0.83 0.02 0.00 -4.23 -0.84 -4.99 115.64 108.76 1f91 s THR 263 Ca 0.07 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.62 1f91 s THR 263 Cb -0.16 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 1f91 s THR 263 CO -0.12 0.00 -0.12 -0.55 -0.54 0.00 0.00 174.62 173.29 1f91 s SER 264 N -3.61 1.41 0.00 3.99 0.15 -1.26 -1.17 113.70 113.21 1f91 s SER 264 Ca 0.25 -0.36 -0.16 0.00 0.70 0.00 0.00 55.95 56.38 1f91 s SER 264 Cb 0.04 -0.11 -0.34 0.00 -1.71 0.00 0.00 66.02 63.90 1f91 s SER 264 CO 0.13 0.05 0.92 0.44 1.20 0.00 0.00 173.24 175.98 1f91 h ASP 265 N 5.28 0.75 -5.91 5.45 3.32 -0.84 -3.44 116.42 121.03 1f91 h ASP 265 Ca -0.35 -0.93 -0.39 0.00 0.02 0.00 0.00 57.03 55.38 1f91 h ASP 265 Cb 1.18 -0.24 0.10 0.00 0.22 0.00 0.00 39.33 40.59 1f91 h ASP 265 CO 0.46 1.68 -0.76 0.61 -1.72 0.00 0.00 179.24 179.50 1f91 n GLY 266 N 1.73 -0.41 0.00 2.75 0.00 -1.26 -4.88 105.19 103.13 1f91 n GLY 266 Ca -0.18 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1f91 n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f91 n ALA 267 N -4.46 1.86 -2.64 4.61 0.00 -1.26 -5.14 120.51 113.47 1f91 n ALA 267 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.96 1f91 n ALA 267 Cb 0.62 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.98 1f91 n ALA 267 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1f91 s ASP 268 N 1.00 4.82 0.19 0.00 2.15 -1.26 -5.04 116.67 118.52 1f91 s ASP 268 Ca 0.00 -0.18 0.05 0.00 0.43 0.00 0.00 52.55 52.85 1f91 s ASP 268 Cb 0.00 -1.12 0.05 0.00 -0.30 0.00 0.00 42.92 41.55 1f91 s ASP 268 CO 0.00 0.22 1.42 0.24 -0.17 0.00 0.00 175.17 176.88 1f91 h MET 269 N 3.89 0.11 0.00 4.34 2.86 -1.99 -3.34 114.93 120.81 1f91 h MET 269 Ca -0.48 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.03 1f91 h MET 269 Cb 1.17 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 1f91 h MET 269 CO 0.56 0.87 -1.18 0.28 1.06 0.00 0.00 176.91 178.51 1f91 n VAL 270 N -3.65 0.03 -4.75 -2.22 0.31 -1.26 -0.55 118.33 106.24 1f91 n VAL 270 Ca -0.02 -0.09 -0.31 0.00 -0.01 0.00 0.00 64.34 63.91 1f91 n VAL 270 Cb 0.78 0.26 -0.13 0.00 -0.91 0.00 0.00 33.84 33.84 1f91 n VAL 270 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f91 s ALA 271 N -2.24 2.54 0.55 3.52 0.00 -1.26 -4.85 121.76 120.03 1f91 s ALA 271 Ca -0.01 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 50.60 1f91 s ALA 271 Cb 0.02 -0.73 -0.06 0.00 0.00 0.00 0.00 23.12 22.36 1f91 s ALA 271 CO 0.15 0.56 1.05 -1.25 0.00 0.00 0.00 175.76 176.28 1f91 s PRO 272 N -1.29 3.53 0.03 0.00 0.04 -1.26 -4.37 135.00 131.68 1f91 s PRO 272 Ca 0.14 1.26 0.23 0.00 0.04 0.00 0.00 61.00 62.66 1f91 s PRO 272 Cb -0.10 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1f91 s PRO 272 CO 0.04 -0.64 0.97 -1.13 0.04 0.00 0.00 177.00 176.28 1f91 n SER 273 N -1.59 0.62 0.00 6.66 3.41 -1.26 -4.96 113.62 116.50 1f91 n SER 273 Ca 0.09 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1f91 n SER 273 Cb 0.53 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.39 1f91 n SER 273 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f91 n GLY 274 N 1.39 1.66 0.28 5.00 0.00 -1.26 -4.71 105.19 107.55 1f91 n GLY 274 Ca 0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 1f91 n GLY 274 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1f91 h GLU 275 N 0.00 0.94 -0.23 1.61 4.22 -1.93 -1.19 114.58 118.01 1f91 h GLU 275 Ca 0.00 -0.12 -0.13 0.00 0.08 0.00 0.00 59.36 59.19 1f91 h GLU 275 Cb 0.00 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1f91 h GLU 275 CO 0.00 0.72 -0.40 0.78 -2.18 0.00 0.00 179.01 177.94 1f91 h GLY 276 N 0.91 0.58 1.22 1.92 0.00 -1.85 -2.77 103.07 103.07 1f91 h GLY 276 Ca 0.23 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1f91 h GLY 276 CO -0.03 0.51 0.05 0.00 0.00 0.00 0.00 176.54 177.07 1f91 h ALA 277 N 1.13 1.00 -0.31 3.60 0.00 -1.84 0.10 119.26 122.93 1f91 h ALA 277 Ca 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1f91 h ALA 277 Cb 0.89 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1f91 h ALA 277 CO 0.08 0.62 0.14 0.28 0.00 0.00 0.00 179.25 180.37 1f91 h VAL 278 N 0.89 1.17 -0.59 0.00 2.07 -1.03 -0.71 116.25 118.04 1f91 h VAL 278 Ca 0.17 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1f91 h VAL 278 Cb 0.45 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1f91 h VAL 278 CO 0.02 0.18 0.19 0.03 0.02 0.00 0.00 177.57 178.00 1f91 h ARG 279 N 0.37 0.92 0.07 1.57 3.08 -1.29 -1.81 114.38 117.29 1f91 h ARG 279 Ca 0.11 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1f91 h ARG 279 Cb 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1f91 h ARG 279 CO -0.01 0.82 -0.08 0.00 -1.07 0.00 0.00 179.97 179.63 1f91 h MET 281 N -0.17 1.11 -0.74 0.00 2.86 -1.09 -1.84 114.93 115.06 1f91 h MET 281 Ca 0.01 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.34 1f91 h MET 281 Cb 0.17 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1f91 h MET 281 CO -0.03 0.96 0.25 0.87 1.06 0.00 0.00 176.91 180.02 1f91 h LYS 282 N 1.05 1.13 -0.72 1.72 1.57 -1.10 -1.69 116.57 118.53 1f91 h LYS 282 Ca 0.22 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1f91 h LYS 282 Cb 0.34 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1f91 h LYS 282 CO -0.00 0.95 0.25 1.98 -0.57 0.00 0.00 179.45 182.05 1f91 h MET 283 N 1.09 1.10 0.00 3.15 4.05 -0.70 -1.98 114.93 121.63 1f91 h MET 283 Ca 0.24 -0.22 -0.06 0.00 -0.28 0.00 0.00 59.70 59.39 1f91 h MET 283 Cb 0.28 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1f91 h MET 283 CO -0.01 0.92 -0.28 0.00 0.23 0.00 0.00 176.91 177.77 1f91 h ALA 284 N 1.20 1.05 -0.00 0.39 0.00 -0.91 -2.97 119.26 118.01 1f91 h ALA 284 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1f91 h ALA 284 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1f91 h ALA 284 CO -0.01 0.35 -0.60 -1.33 0.00 0.00 0.00 179.25 177.66 1f91 n MET 285 N -3.49 0.04 -1.68 0.00 2.00 -0.67 -4.14 117.12 109.17 1f91 n MET 285 Ca -0.00 -0.03 -0.45 0.00 0.00 0.00 0.00 57.70 57.22 1f91 n MET 285 Cb 0.44 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 32.12 1f91 n MET 285 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 1f91 n HIS 286 N -1.46 2.41 0.00 2.03 -0.00 -0.78 -0.78 115.22 116.64 1f91 n HIS 286 Ca 0.05 0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.36 1f91 n HIS 286 Cb 0.34 -2.61 0.00 0.00 -0.12 0.00 0.00 29.99 27.59 1f91 n HIS 286 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1f91 n GLY 287 N 3.79 2.50 3.55 1.57 0.00 -1.26 -4.93 105.19 110.41 1f91 n GLY 287 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1f91 n GLY 287 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f91 s VAL 288 N -2.32 4.46 -0.51 1.61 1.01 0.04 -4.90 120.40 119.79 1f91 s VAL 288 Ca 0.00 0.58 0.24 0.00 0.00 0.00 0.00 61.98 62.80 1f91 s VAL 288 Cb 0.00 -4.46 0.30 0.00 0.00 0.00 0.00 36.38 32.22 1f91 s VAL 288 CO 0.00 -0.91 1.61 -2.24 0.00 0.00 0.00 175.10 173.56 1f91 h ASP 289 N 9.15 0.00 -3.23 3.32 -0.00 -1.94 -3.46 116.42 120.26 1f91 h ASP 289 Ca -0.25 -0.01 -0.53 0.00 -0.00 0.00 0.00 57.03 56.25 1f91 h ASP 289 Cb 1.08 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.39 1f91 h ASP 289 CO 1.04 0.00 -0.17 0.42 -0.00 0.00 0.00 179.24 180.54 1f91 s THR 290 N -3.19 5.03 0.72 1.15 -4.23 -1.26 -5.08 115.64 108.78 1f91 s THR 290 Ca 0.08 0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.60 1f91 s THR 290 Cb 0.07 -3.69 0.02 0.00 1.34 0.00 0.00 72.50 70.24 1f91 s THR 290 CO 0.66 -0.22 1.07 -2.16 -0.54 0.00 0.00 174.62 173.43 1f91 s PRO 291 N -3.27 2.76 -0.22 3.99 0.04 -1.26 -5.00 135.00 132.04 1f91 s PRO 291 Ca 0.44 0.89 -0.25 0.00 0.04 0.00 0.00 61.00 62.12 1f91 s PRO 291 Cb -0.11 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1f91 s PRO 291 CO 0.27 -1.21 0.83 0.42 0.04 0.00 0.00 177.00 177.35 1f91 s ILE 292 N -3.07 4.85 0.01 0.56 -1.09 -1.26 -4.51 121.20 116.70 1f91 s ILE 292 Ca 0.59 1.58 0.01 0.00 -2.23 0.00 0.00 60.65 60.60 1f91 s ILE 292 Cb -0.14 -4.12 -0.26 0.00 -1.58 0.00 0.00 42.46 36.36 1f91 s ILE 292 CO 0.55 -0.04 0.89 0.44 -1.23 0.00 0.00 174.94 175.55 1f91 h ASP 293 N 7.55 0.26 -3.87 3.58 3.32 -1.22 -3.40 116.42 122.64 1f91 h ASP 293 Ca -0.25 -0.37 -0.17 0.00 0.02 0.00 0.00 57.03 56.26 1f91 h ASP 293 Cb 1.11 -0.09 -0.25 0.00 0.22 0.00 0.00 39.33 40.32 1f91 h ASP 293 CO 0.86 1.31 -0.44 -0.47 -1.72 0.00 0.00 179.24 178.78 1f91 s TYR 294 N -2.63 -0.25 -0.17 4.55 5.04 -1.17 -2.59 117.35 120.14 1f91 s TYR 294 Ca -0.07 0.61 0.01 0.00 -2.44 0.00 0.00 57.07 55.17 1f91 s TYR 294 Cb 0.08 0.09 0.03 0.00 0.35 0.00 0.00 41.96 42.50 1f91 s TYR 294 CO 0.84 -0.13 -0.12 -1.17 -1.34 0.00 0.00 175.55 173.62 1f91 s LEU 295 N 0.05 1.91 -0.77 6.97 0.20 0.28 -1.06 118.68 126.27 1f91 s LEU 295 Ca -0.01 -0.65 -0.20 0.00 0.69 0.00 0.00 54.13 53.97 1f91 s LEU 295 Cb -0.02 -1.19 0.11 0.00 -0.43 0.00 0.00 46.19 44.67 1f91 s LEU 295 CO 0.00 -0.10 0.96 0.21 -0.29 0.00 0.00 176.35 177.14 1f91 s ASN 296 N 1.46 6.40 1.03 3.68 3.84 0.35 -3.09 114.94 128.62 1f91 s ASN 296 Ca 0.02 -1.64 -0.12 0.00 0.21 0.00 0.00 52.86 51.33 1f91 s ASN 296 Cb -0.14 -2.37 0.21 0.00 -0.55 0.00 0.00 41.25 38.40 1f91 s ASN 296 CO -0.10 -1.15 1.07 -0.94 -2.79 0.00 0.00 177.10 173.20 1f91 s SER 297 N 3.55 2.19 0.08 -4.21 1.04 -1.19 -2.01 113.70 113.13 1f91 s SER 297 Ca 0.24 1.54 -0.10 0.00 0.48 0.00 0.00 55.95 58.10 1f91 s SER 297 Cb -0.13 -2.22 -0.24 0.00 0.10 0.00 0.00 66.02 63.53 1f91 s SER 297 CO -0.00 -3.45 1.15 -0.74 0.98 0.00 0.00 173.24 171.18 1f91 h HIS 298 N -2.11 0.82 -0.21 5.02 2.76 -1.93 -3.43 115.15 116.07 1f91 h HIS 298 Ca -0.55 -0.52 0.00 0.00 -2.20 0.00 0.00 60.37 57.11 1f91 h HIS 298 Cb 1.31 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.21 1f91 h HIS 298 CO 0.34 1.37 0.00 0.41 -1.30 0.00 0.00 177.93 178.75 1f91 n GLY 299 N 1.32 0.00 0.19 5.26 0.00 -1.26 -4.81 105.19 105.88 1f91 n GLY 299 Ca -0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1f91 n GLY 299 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1f91 n THR 300 N 0.13 0.00 -2.16 2.61 -2.24 -1.26 -4.58 114.28 106.79 1f91 n THR 300 Ca 0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1f91 n THR 300 Cb 0.00 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1f91 n THR 300 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1f91 n SER 301 N -0.74 -1.36 -4.76 3.42 2.88 -1.26 -3.94 113.62 107.86 1f91 n SER 301 Ca 0.15 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.39 1f91 n SER 301 Cb 0.30 -0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 63.20 1f91 n SER 301 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1f91 s THR 302 N -2.37 4.45 0.11 2.46 -4.23 -1.26 -2.55 115.64 112.24 1f91 s THR 302 Ca 0.00 -0.83 -0.33 0.00 -1.18 0.00 0.00 61.69 59.35 1f91 s THR 302 Cb 0.00 -3.16 -0.12 0.00 1.34 0.00 0.00 72.50 70.56 1f91 s THR 302 CO 0.00 0.10 1.57 -0.65 -0.54 0.00 0.00 174.62 175.10 1f91 h PRO 303 N 3.22 -0.69 -0.01 3.99 0.11 -1.94 -2.87 132.00 133.81 1f91 h PRO 303 Ca -0.47 0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.60 1f91 h PRO 303 Cb 1.17 0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.44 1f91 h PRO 303 CO 0.65 -0.46 -0.36 0.28 -0.21 0.00 0.00 178.00 177.90 1f91 h VAL 304 N -0.72 1.49 -0.21 3.15 2.07 -1.99 -3.37 116.25 116.67 1f91 h VAL 304 Ca 0.01 -1.95 0.06 0.00 0.82 0.00 0.00 66.70 65.64 1f91 h VAL 304 Cb 0.73 2.65 -0.07 0.00 -1.52 0.00 0.00 31.29 33.09 1f91 h VAL 304 CO -0.28 0.55 -0.27 1.23 0.02 0.00 0.00 177.57 178.82 1f91 h GLY 305 N -0.34 -0.26 0.55 2.17 0.00 -1.96 -2.19 103.07 101.04 1f91 h GLY 305 Ca -0.04 0.34 0.08 0.00 0.00 0.00 0.00 47.33 47.71 1f91 h GLY 305 CO 0.07 -0.21 0.41 -0.55 0.00 0.00 0.00 176.54 176.26 1f91 h ASP 306 N -0.30 0.58 0.13 0.19 3.32 -1.69 -2.78 116.42 115.87 1f91 h ASP 306 Ca 0.12 0.05 -0.21 0.00 0.02 0.00 0.00 57.03 57.01 1f91 h ASP 306 Cb 0.49 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1f91 h ASP 306 CO -0.38 0.34 -0.82 -0.37 -1.72 0.00 0.00 179.24 176.29 1f91 h VAL 307 N 0.71 1.34 -0.81 -1.35 -1.51 -1.69 -2.33 116.25 110.61 1f91 h VAL 307 Ca 0.36 -2.17 0.04 0.00 -1.23 0.00 0.00 66.70 63.70 1f91 h VAL 307 Cb 0.31 2.16 -0.05 0.00 -2.13 0.00 0.00 31.29 31.59 1f91 h VAL 307 CO -0.24 0.66 0.51 0.11 -1.23 0.00 0.00 177.57 177.39 1f91 h LYS 308 N 0.35 0.95 -0.24 5.19 1.79 -1.20 -0.06 116.57 123.35 1f91 h LYS 308 Ca -0.06 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.22 1f91 h LYS 308 Cb 1.43 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.86 1f91 h LYS 308 CO 0.15 0.63 -0.40 1.49 -1.08 0.00 0.00 179.45 180.24 1f91 h GLU 309 N 0.98 0.58 -0.42 3.15 4.81 -1.48 -1.83 114.58 120.38 1f91 h GLU 309 Ca 0.33 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1f91 h GLU 309 Cb 0.05 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1f91 h GLU 309 CO -0.13 0.88 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.89 1f91 h LEU 310 N 0.47 0.71 -0.50 1.64 3.38 -0.78 0.56 115.31 120.79 1f91 h LEU 310 Ca 0.04 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 1f91 h LEU 310 Cb 0.91 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1f91 h LEU 310 CO 0.08 0.83 -0.14 0.00 0.09 0.00 0.00 178.44 179.30 1f91 h ALA 311 N 1.25 0.68 -0.76 1.53 0.00 -0.85 -0.53 119.26 120.59 1f91 h ALA 311 Ca 0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1f91 h ALA 311 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1f91 h ALA 311 CO 0.03 0.62 0.32 0.00 0.00 0.00 0.00 179.25 180.22 1f91 h ALA 312 N 0.89 0.98 -0.63 0.00 0.00 -0.85 -0.85 119.26 118.81 1f91 h ALA 312 Ca 0.12 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1f91 h ALA 312 Cb 0.71 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1f91 h ALA 312 CO 0.05 0.59 0.10 0.82 0.00 0.00 0.00 179.25 180.81 1f91 h ILE 313 N 1.09 1.26 -0.26 0.00 2.04 -0.57 -1.72 117.51 119.35 1f91 h ILE 313 Ca 0.26 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1f91 h ILE 313 Cb 0.19 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1f91 h ILE 313 CO -0.02 0.38 0.06 0.03 0.00 0.00 0.00 178.15 178.60 1f91 h ARG 314 N 0.97 0.41 -0.03 2.37 3.08 -0.60 -1.78 114.38 118.79 1f91 h ARG 314 Ca 0.19 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1f91 h ARG 314 Cb 0.42 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1f91 h ARG 314 CO 0.01 0.51 -0.09 1.49 -1.07 0.00 0.00 179.97 180.82 1f91 h GLU 315 N 0.25 0.05 0.16 0.04 4.81 -0.91 0.19 114.58 119.16 1f91 h GLU 315 Ca 0.08 -0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 59.03 1f91 h GLU 315 Cb 0.28 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.66 1f91 h GLU 315 CO 0.00 0.14 -1.32 0.28 -0.73 0.00 0.00 179.01 177.38 1f91 h VAL 316 N 0.05 1.18 0.00 0.32 2.07 -1.15 -3.39 116.25 115.33 1f91 h VAL 316 Ca 0.01 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1f91 h VAL 316 Cb 0.19 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1f91 h VAL 316 CO 0.01 0.75 -1.43 0.49 0.02 0.00 0.00 177.57 177.41 1f91 n PHE 317 N -3.89 0.09 0.00 1.57 3.01 -0.68 -5.03 117.46 112.52 1f91 n PHE 317 Ca -0.21 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1f91 n PHE 317 Cb 0.94 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 1f91 n PHE 317 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1f91 n GLY 318 N 1.36 3.27 0.77 1.37 0.00 0.66 -0.97 105.19 111.65 1f91 n GLY 318 Ca 0.00 0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.40 1f91 n GLY 318 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f91 n ASP 319 N 9.35 2.35 -2.28 1.61 9.92 -1.26 -4.22 116.55 132.02 1f91 n ASP 319 Ca 0.00 -1.79 -0.29 0.00 -0.53 0.00 0.00 54.79 52.18 1f91 n ASP 319 Cb 0.00 -0.08 0.03 0.00 -0.64 0.00 0.00 41.12 40.43 1f91 n ASP 319 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1f91 n LYS 320 N 0.80 3.27 -2.26 -1.24 4.76 -0.14 -5.05 118.16 118.30 1f91 n LYS 320 Ca 0.17 -3.96 -0.41 0.00 -2.87 0.00 0.00 58.31 51.24 1f91 n LYS 320 Cb 0.47 -2.28 -0.03 0.00 -1.84 0.00 0.00 35.03 31.35 1f91 n LYS 320 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1f91 s SER 321 N -2.91 6.97 0.99 4.39 1.04 -1.26 -4.90 113.70 118.03 1f91 s SER 321 Ca 0.54 2.47 -0.15 0.00 0.48 0.00 0.00 55.95 59.28 1f91 s SER 321 Cb 0.43 -2.63 0.19 0.00 0.10 0.00 0.00 66.02 64.12 1f91 s SER 321 CO -0.07 -0.40 1.21 -2.16 0.98 0.00 0.00 173.24 172.80 1f91 s PRO 322 N -1.19 0.44 0.38 4.02 0.04 -1.26 -4.84 135.00 132.59 1f91 s PRO 322 Ca 0.50 -0.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.17 1f91 s PRO 322 Cb -0.36 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1f91 s PRO 322 CO 0.45 -2.60 1.18 0.00 0.04 0.00 0.00 177.00 176.07 1f91 s ALA 323 N -3.49 3.22 0.04 8.56 0.00 -1.07 -4.50 121.76 124.52 1f91 s ALA 323 Ca 0.70 0.99 0.03 0.00 0.00 0.00 0.00 51.96 53.68 1f91 s ALA 323 Cb -0.09 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1f91 s ALA 323 CO 0.53 -0.50 -0.10 0.42 0.00 0.00 0.00 175.76 176.12 1f91 s ILE 324 N -1.36 0.74 -0.22 0.00 1.01 -0.36 -0.56 121.20 120.46 1f91 s ILE 324 Ca 0.55 -1.01 -0.27 0.00 0.00 0.00 0.00 60.65 59.92 1f91 s ILE 324 Cb -0.32 -0.74 0.09 0.00 0.01 0.00 0.00 42.46 41.50 1f91 s ILE 324 CO 0.40 -0.23 0.82 -0.94 0.00 0.00 0.00 174.94 175.00 1f91 s SER 325 N -1.37 -0.61 -0.35 3.58 1.04 -1.18 -0.45 113.70 114.37 1f91 s SER 325 Ca -0.05 1.05 -0.07 0.00 0.48 0.00 0.00 55.95 57.35 1f91 s SER 325 Cb -0.09 1.01 0.04 0.00 0.10 0.00 0.00 66.02 67.09 1f91 s SER 325 CO 0.01 -0.30 0.13 0.00 0.98 0.00 0.00 173.24 174.05 1f91 s ALA 326 N -0.12 3.09 -0.38 5.32 0.00 -1.26 -3.19 121.76 125.22 1f91 s ALA 326 Ca -0.01 -1.77 0.25 0.00 0.00 0.00 0.00 51.96 50.43 1f91 s ALA 326 Cb -0.04 -2.33 1.05 0.00 0.00 0.00 0.00 23.12 21.81 1f91 s ALA 326 CO 0.01 -1.36 1.76 1.79 0.00 0.00 0.00 175.76 177.96 1f91 h THR 327 N 6.13 0.00 0.00 0.00 1.35 -1.86 -2.90 112.91 115.63 1f91 h THR 327 Ca -0.23 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1f91 h THR 327 Cb 1.08 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1f91 h THR 327 CO 0.62 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 176.00 1f91 h LYS 328 N 0.00 0.00 0.00 4.72 1.57 -1.81 0.01 116.57 121.06 1f91 h LYS 328 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1f91 h LYS 328 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1f91 h LYS 328 CO 0.00 0.00 -0.24 0.00 -0.57 0.00 0.00 179.45 178.64 1f91 h ALA 329 N 2.04 1.27 0.03 3.86 0.00 -1.78 0.22 119.26 124.90 1f91 h ALA 329 Ca 0.00 -0.22 -0.37 0.00 0.00 0.00 0.00 54.91 54.32 1f91 h ALA 329 Cb 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1f91 h ALA 329 CO 0.00 0.31 -2.11 -1.33 0.00 0.00 0.00 179.25 176.11 1f91 n MET 330 N -3.77 0.63 0.02 0.00 2.81 -0.12 -4.61 117.12 112.08 1f91 n MET 330 Ca -0.01 0.31 -0.16 0.00 -1.81 0.00 0.00 57.70 56.03 1f91 n MET 330 Cb 0.35 -1.60 -0.14 0.00 -0.71 0.00 0.00 33.22 31.11 1f91 n MET 330 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1f91 h THR 331 N -0.54 0.91 0.00 2.03 1.35 -1.26 0.16 112.91 115.57 1f91 h THR 331 Ca -0.53 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 62.69 1f91 h THR 331 Cb 1.69 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 70.71 1f91 h THR 331 CO -0.19 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1f91 n GLY 332 N 1.73 0.40 3.39 5.82 0.00 0.78 -4.51 105.19 112.79 1f91 n GLY 332 Ca -0.21 -2.07 -0.45 0.00 0.00 0.00 0.00 46.02 43.30 1f91 n GLY 332 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1f91 s HIS 333 N -1.12 3.17 -1.86 1.61 2.46 0.52 -4.61 115.29 115.46 1f91 s HIS 333 Ca 0.00 -0.90 0.02 0.00 0.47 0.00 0.00 55.06 54.65 1f91 s HIS 333 Cb 0.00 -3.47 0.07 0.00 -0.13 0.00 0.00 32.58 29.05 1f91 s HIS 333 CO 0.00 -0.95 1.00 -1.13 -2.47 0.00 0.00 174.74 171.19 1f91 n SER 334 N 5.57 0.54 0.00 9.88 3.41 -1.26 -1.15 113.62 130.61 1f91 n SER 334 Ca -0.11 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 1f91 n SER 334 Cb 0.43 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1f91 n SER 334 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1f91 n LEU 335 N -0.24 0.00 0.18 1.04 4.77 -1.26 -1.95 117.00 119.54 1f91 n LEU 335 Ca 0.03 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.14 1f91 n LEU 335 Cb 0.10 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 41.88 1f91 n LEU 335 CO 0.02 0.00 1.12 1.23 -1.33 0.00 0.00 177.39 178.42 1f91 h GLY 336 N 0.00 0.00 1.00 -0.72 0.00 -1.86 -1.78 103.07 99.71 1f91 h GLY 336 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1f91 h GLY 336 CO 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 176.54 175.94 1f91 n ALA 337 N -2.53 3.33 -0.14 3.60 0.00 -0.83 -2.81 120.51 121.14 1f91 n ALA 337 Ca 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 53.44 53.10 1f91 n ALA 337 Cb 0.26 -1.12 0.05 0.00 0.00 0.00 0.00 19.45 18.65 1f91 n ALA 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f91 h ALA 338 N 2.79 0.48 -0.06 0.00 0.00 -1.42 -1.82 119.26 119.24 1f91 h ALA 338 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1f91 h ALA 338 Cb 0.60 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1f91 h ALA 338 CO 0.00 -0.34 -0.35 0.78 0.00 0.00 0.00 179.25 179.34 1f91 h GLY 339 N 0.19 -0.57 1.36 0.00 0.00 -1.75 0.08 103.07 102.38 1f91 h GLY 339 Ca 0.23 0.43 -0.18 0.00 0.00 0.00 0.00 47.33 47.81 1f91 h GLY 339 CO -0.33 -0.23 -0.61 -0.24 0.00 0.00 0.00 176.54 175.13 1f91 h VAL 340 N -0.47 1.31 -0.56 4.60 3.04 -1.72 -2.48 116.25 119.97 1f91 h VAL 340 Ca 0.07 -1.86 -0.04 0.00 -1.01 0.00 0.00 66.70 63.87 1f91 h VAL 340 Cb 0.58 1.81 -0.02 0.00 -2.01 0.00 0.00 31.29 31.65 1f91 h VAL 340 CO -0.32 0.58 0.20 1.56 -1.01 0.00 0.00 177.57 178.58 1f91 h GLN 341 N 0.49 0.85 0.00 4.17 4.20 -1.15 -1.28 115.11 122.39 1f91 h GLN 341 Ca -0.01 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1f91 h GLN 341 Cb 1.19 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1f91 h GLN 341 CO 0.12 0.76 -0.25 0.93 -0.67 0.00 0.00 178.83 179.72 1f91 h GLU 342 N 0.77 0.00 -0.21 1.46 5.08 -1.00 -0.43 114.58 120.26 1f91 h GLU 342 Ca 0.18 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.37 1f91 h GLU 342 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1f91 h GLU 342 CO -0.01 0.25 -0.56 0.00 -1.00 0.00 0.00 179.01 177.69 1f91 h ALA 343 N 1.75 0.63 -0.52 3.43 0.00 -1.00 -2.07 119.26 121.48 1f91 h ALA 343 Ca -0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 1f91 h ALA 343 Cb 0.78 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1f91 h ALA 343 CO 0.03 0.69 -0.13 0.82 0.00 0.00 0.00 179.25 180.66 1f91 h ILE 344 N 0.48 1.27 -0.25 0.00 2.04 -0.39 0.25 117.51 120.90 1f91 h ILE 344 Ca 0.01 -1.29 -0.07 0.00 1.00 0.00 0.00 64.86 64.50 1f91 h ILE 344 Cb 1.12 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1f91 h ILE 344 CO 0.11 0.45 -0.15 1.88 0.00 0.00 0.00 178.15 180.44 1f91 h TYR 345 N 0.89 0.46 -0.17 1.37 0.05 -0.99 -0.75 116.97 117.83 1f91 h TYR 345 Ca 0.13 -0.07 -0.20 0.00 0.05 0.00 0.00 58.73 58.64 1f91 h TYR 345 Cb 0.70 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1f91 h TYR 345 CO 0.05 0.57 -0.68 0.77 -1.05 0.00 0.00 178.16 177.81 1f91 h SER 346 N 0.40 0.80 -0.07 3.88 0.02 -1.01 -2.04 113.55 115.53 1f91 h SER 346 Ca 0.07 -0.49 -0.10 0.00 -0.84 0.00 0.00 61.79 60.43 1f91 h SER 346 Cb 0.50 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1f91 h SER 346 CO 0.03 1.26 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.64 1f91 h LEU 347 N 0.49 0.52 -0.72 5.07 3.38 -0.59 -1.39 115.31 122.08 1f91 h LEU 347 Ca -0.02 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 1f91 h LEU 347 Cb 1.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1f91 h LEU 347 CO 0.14 0.78 -0.41 -0.07 0.09 0.00 0.00 178.44 178.97 1f91 h LEU 348 N 0.45 0.53 -0.56 1.67 3.38 -1.03 0.53 115.31 120.28 1f91 h LEU 348 Ca 0.06 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 1f91 h LEU 348 Cb 0.71 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1f91 h LEU 348 CO 0.05 0.88 -0.36 0.24 0.09 0.00 0.00 178.44 179.34 1f91 h MET 349 N 0.41 0.76 -0.27 1.13 2.86 -1.07 -0.90 114.93 117.84 1f91 h MET 349 Ca 0.04 -0.38 -0.12 0.00 -2.06 0.00 0.00 59.70 57.17 1f91 h MET 349 Cb 0.89 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 1f91 h MET 349 CO 0.08 1.00 -0.32 1.25 1.06 0.00 0.00 176.91 179.98 1f91 h LEU 350 N 0.63 0.75 -0.80 1.22 5.85 -1.03 -0.61 115.31 121.31 1f91 h LEU 350 Ca 0.06 -0.49 -0.12 0.00 0.84 0.00 0.00 57.88 58.17 1f91 h LEU 350 Cb 0.91 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1f91 h LEU 350 CO 0.08 1.09 -0.45 -0.08 -0.34 0.00 0.00 178.44 178.73 1f91 h GLU 351 N 0.43 0.33 -0.44 1.25 4.57 -0.83 -3.25 114.58 116.64 1f91 h GLU 351 Ca 0.04 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1f91 h GLU 351 Cb 0.89 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1f91 h GLU 351 CO 0.08 0.72 0.00 0.72 -1.18 0.00 0.00 179.01 179.35 1f91 n HIS 352 N -3.99 0.69 -3.50 0.92 8.25 -0.35 -5.02 115.22 112.21 1f91 n HIS 352 Ca -0.02 -0.54 -0.19 0.00 -0.26 0.00 0.00 57.72 56.71 1f91 n HIS 352 Cb 0.52 -0.07 0.02 0.00 1.12 0.00 0.00 29.99 31.58 1f91 n HIS 352 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f91 n GLY 353 N 0.69 -1.17 3.48 -1.41 0.00 -0.30 -4.91 105.19 101.57 1f91 n GLY 353 Ca 0.16 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.57 1f91 n GLY 353 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1f91 s PHE 354 N -3.19 -0.49 -0.20 1.61 -0.12 -0.84 -1.80 117.98 112.96 1f91 s PHE 354 Ca 0.20 0.45 -0.01 0.00 -0.05 0.00 0.00 56.93 57.52 1f91 s PHE 354 Cb -0.07 0.52 0.01 0.00 -0.63 0.00 0.00 43.02 42.85 1f91 s PHE 354 CO 0.83 -0.67 -0.14 0.42 -0.05 0.00 0.00 175.22 175.61 1f91 s ILE 355 N -2.90 2.60 0.38 -4.49 1.01 0.11 -4.57 121.20 113.35 1f91 s ILE 355 Ca -0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 60.65 59.63 1f91 s ILE 355 Cb -0.01 -2.14 -0.09 0.00 0.01 0.00 0.00 42.46 40.24 1f91 s ILE 355 CO -0.07 0.49 1.22 0.00 0.00 0.00 0.00 174.94 176.59 1f91 s ALA 356 N 1.35 3.27 0.55 9.38 0.00 -1.26 -2.18 121.76 132.87 1f91 s ALA 356 Ca 0.05 1.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 1f91 s ALA 356 Cb -0.14 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 1f91 s ALA 356 CO -0.09 -0.59 1.04 -1.25 0.00 0.00 0.00 175.76 174.88 1f91 s PRO 357 N -2.10 3.56 -0.55 0.00 0.04 -1.26 -4.79 135.00 129.89 1f91 s PRO 357 Ca 0.54 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 1f91 s PRO 357 Cb -0.34 -2.07 0.12 0.00 0.04 0.00 0.00 34.50 32.25 1f91 s PRO 357 CO 0.44 -0.61 0.56 0.45 0.04 0.00 0.00 177.00 177.88 1f91 s SER 358 N -2.52 6.19 0.84 6.66 0.15 0.20 -4.73 113.70 120.49 1f91 s SER 358 Ca 0.64 -1.68 -0.11 0.00 0.70 0.00 0.00 55.95 55.51 1f91 s SER 358 Cb -0.15 -2.24 0.13 0.00 -1.71 0.00 0.00 66.02 62.05 1f91 s SER 358 CO 0.30 -0.93 1.18 0.27 1.20 0.00 0.00 173.24 175.25 1f91 s ILE 359 N 1.93 2.08 -1.63 6.45 -4.36 -1.26 -4.51 121.20 119.90 1f91 s ILE 359 Ca 0.06 -0.15 0.00 0.00 -0.26 0.00 0.00 60.65 60.29 1f91 s ILE 359 Cb -0.28 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.50 1f91 s ILE 359 CO 0.04 0.00 0.00 0.59 0.24 0.00 0.00 174.94 175.81 1f91 n ASN 360 N -3.35 -5.13 -4.34 4.36 3.02 -1.26 -4.50 115.26 104.05 1f91 n ASN 360 Ca 0.12 0.14 -0.45 0.00 -0.03 0.00 0.00 54.58 54.35 1f91 n ASN 360 Cb 0.60 -4.20 -0.04 0.00 -0.61 0.00 0.00 39.78 35.53 1f91 n ASN 360 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1f91 s ILE 361 N -2.80 5.07 -0.09 2.41 1.01 -1.26 -4.73 121.20 120.80 1f91 s ILE 361 Ca 0.00 -1.37 0.07 0.00 0.00 0.00 0.00 60.65 59.36 1f91 s ILE 361 Cb 0.00 -4.42 -0.24 0.00 0.01 0.00 0.00 42.46 37.81 1f91 s ILE 361 CO 0.00 -1.01 0.49 -0.62 0.00 0.00 0.00 174.94 173.81 1f91 n GLU 362 N 5.64 0.67 -3.60 2.79 1.02 -1.26 -4.80 120.64 121.10 1f91 n GLU 362 Ca -0.09 0.26 -0.23 0.00 -0.02 0.00 0.00 57.16 57.07 1f91 n GLU 362 Cb 0.42 -1.74 -0.16 0.00 -0.02 0.00 0.00 31.44 29.94 1f91 n GLU 362 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1f91 s GLU 363 N -2.57 0.06 0.17 3.49 2.12 -1.26 -5.06 118.70 115.65 1f91 s GLU 363 Ca -0.11 0.08 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 1f91 s GLU 363 Cb 0.07 -1.42 -0.08 0.00 0.26 0.00 0.00 34.13 32.96 1f91 s GLU 363 CO 0.80 -0.59 1.27 -1.17 -0.54 0.00 0.00 175.26 175.03 1f91 s LEU 364 N 2.18 4.42 0.34 2.70 2.96 -1.26 0.49 118.68 130.51 1f91 s LEU 364 Ca 0.03 2.30 -0.29 0.00 -0.22 0.00 0.00 54.13 55.95 1f91 s LEU 364 Cb -0.15 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.83 1f91 s LEU 364 CO -0.08 -0.48 1.48 -0.62 -1.32 0.00 0.00 176.35 175.32 1f91 s ASP 365 N 0.43 6.43 0.27 3.68 -1.08 -0.62 -4.71 116.67 121.07 1f91 s ASP 365 Ca 0.56 2.95 -0.02 0.00 -0.52 0.00 0.00 52.55 55.53 1f91 s ASP 365 Cb -0.34 -2.66 0.59 0.00 -1.46 0.00 0.00 42.92 39.05 1f91 s ASP 365 CO 0.36 -0.82 1.65 -0.33 0.52 0.00 0.00 175.17 176.55 1f91 h GLU 366 N 3.57 0.19 0.00 4.34 5.08 -1.93 0.41 114.58 126.24 1f91 h GLU 366 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1f91 h GLU 366 Cb 1.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1f91 h GLU 366 CO 0.68 0.13 0.00 1.04 -1.00 0.00 0.00 179.01 179.86 1f91 n GLN 367 N -5.24 0.08 0.00 2.33 6.02 -1.26 -1.76 117.38 117.55 1f91 n GLN 367 Ca 0.18 0.23 0.11 0.00 -0.01 0.00 0.00 57.00 57.51 1f91 n GLN 367 Cb 0.58 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.46 1f91 n GLN 367 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f91 n ALA 368 N -1.41 3.71 -1.65 -1.58 0.00 0.13 -4.90 120.51 114.82 1f91 n ALA 368 Ca 0.04 -0.52 -0.46 0.00 0.00 0.00 0.00 53.44 52.51 1f91 n ALA 368 Cb 0.13 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1f91 n ALA 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f91 n ALA 369 N -0.80 0.75 0.00 0.00 0.00 -0.72 -2.28 120.51 117.46 1f91 n ALA 369 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1f91 n ALA 369 Cb 0.38 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1f91 n ALA 369 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f91 n GLY 370 N 2.31 3.19 3.83 0.00 0.00 -1.26 -5.04 105.19 108.21 1f91 n GLY 370 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1f91 n GLY 370 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f91 s LEU 371 N 0.00 3.86 -1.25 0.99 1.43 -0.96 -4.97 118.68 117.77 1f91 s LEU 371 Ca 0.00 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 1f91 s LEU 371 Cb 0.00 -4.53 0.16 0.00 0.03 0.00 0.00 46.19 41.85 1f91 s LEU 371 CO 0.00 -0.42 1.68 -3.20 0.23 0.00 0.00 176.35 174.64 1f91 n ASN 372 N -0.88 5.12 -4.56 2.29 5.15 -1.26 -4.94 115.26 116.18 1f91 n ASN 372 Ca 0.07 -3.04 -0.43 0.00 -0.60 0.00 0.00 54.58 50.58 1f91 n ASN 372 Cb 0.54 -1.53 -0.05 0.00 -0.53 0.00 0.00 39.78 38.21 1f91 n ASN 372 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1f91 s ILE 373 N 1.06 4.64 0.05 -1.44 1.01 -1.26 -1.22 121.20 124.05 1f91 s ILE 373 Ca 0.42 0.63 -0.31 0.00 0.00 0.00 0.00 60.65 61.39 1f91 s ILE 373 Cb 0.04 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.14 1f91 s ILE 373 CO 0.00 -0.65 1.33 -0.69 0.00 0.00 0.00 174.94 174.93 1f91 s VAL 374 N 3.31 3.70 -0.80 2.92 1.01 0.41 -4.92 120.40 126.04 1f91 s VAL 374 Ca 0.32 1.17 0.07 0.00 0.00 0.00 0.00 61.98 63.54 1f91 s VAL 374 Cb -0.12 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.55 1f91 s VAL 374 CO 0.21 0.05 0.67 0.35 0.00 0.00 0.00 175.10 176.39 1f91 n THR 375 N 4.22 0.00 -3.82 3.92 -2.24 -1.26 -0.63 114.28 114.47 1f91 n THR 375 Ca 0.11 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 1f91 n THR 375 Cb 0.44 1.13 -0.14 0.00 -2.10 0.00 0.00 70.33 69.66 1f91 n THR 375 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1f91 s GLU 376 N -0.66 0.09 -0.17 -0.78 -1.05 -1.26 -4.51 118.70 110.37 1f91 s GLU 376 Ca 0.07 0.17 -0.41 0.00 -0.15 0.00 0.00 54.97 54.65 1f91 s GLU 376 Cb 0.06 -0.01 -0.18 0.00 -0.44 0.00 0.00 34.13 33.55 1f91 s GLU 376 CO 0.10 -0.05 1.40 2.41 0.95 0.00 0.00 175.26 180.07 1f91 n THR 377 N 3.32 0.06 -4.13 1.83 -1.04 -1.26 -4.66 114.28 108.40 1f91 n THR 377 Ca -0.16 -0.01 -0.28 0.00 -2.04 0.00 0.00 64.05 61.56 1f91 n THR 377 Cb 0.57 -0.56 -0.17 0.00 -1.82 0.00 0.00 70.33 68.36 1f91 n THR 377 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1f91 s THR 378 N 1.59 1.36 0.21 12.58 2.01 -0.92 -4.97 115.64 127.49 1f91 s THR 378 Ca 0.95 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 62.13 1f91 s THR 378 Cb -1.22 -1.29 -0.08 0.00 0.01 0.00 0.00 72.50 69.92 1f91 s THR 378 CO 0.63 0.42 1.03 -1.81 -0.69 0.00 0.00 174.62 174.20 1f91 s ASP 379 N 1.37 7.42 -0.26 3.53 1.01 -1.26 0.10 116.67 128.58 1f91 s ASP 379 Ca 0.01 2.04 -0.28 0.00 0.71 0.00 0.00 52.55 55.03 1f91 s ASP 379 Cb -0.13 -2.61 0.17 0.00 1.01 0.00 0.00 42.92 41.36 1f91 s ASP 379 CO -0.07 -0.07 1.27 -0.60 0.21 0.00 0.00 175.17 175.92 1f91 s ARG 380 N -0.79 0.22 -0.35 8.23 3.52 -0.75 -4.92 118.95 124.10 1f91 s ARG 380 Ca 0.45 0.10 -0.29 0.00 -0.13 0.00 0.00 55.73 55.87 1f91 s ARG 380 Cb -0.28 0.10 0.02 0.00 -1.56 0.00 0.00 34.95 33.23 1f91 s ARG 380 CO 0.35 -0.06 1.10 -1.21 -0.81 0.00 0.00 175.30 174.67 1f91 s GLU 381 N -0.71 3.98 0.06 5.12 2.02 -1.26 -3.09 118.70 124.82 1f91 s GLU 381 Ca 0.06 0.97 0.00 0.00 0.02 0.00 0.00 54.97 56.02 1f91 s GLU 381 Cb -0.02 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 1f91 s GLU 381 CO -0.07 -1.02 0.17 -0.51 0.02 0.00 0.00 175.26 173.85 1f91 s LEU 382 N 3.86 4.22 0.00 1.80 1.43 -1.26 -5.00 118.68 123.74 1f91 s LEU 382 Ca 0.46 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1f91 s LEU 382 Cb -0.11 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.31 1f91 s LEU 382 CO 0.19 0.18 0.00 0.41 0.23 0.00 0.00 176.35 177.37 1f91 n THR 383 N 0.42 0.00 -4.14 5.49 -1.04 -1.26 -4.87 114.28 108.88 1f91 n THR 383 Ca -0.07 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.70 1f91 n THR 383 Cb 0.51 -0.43 -0.17 0.00 -1.82 0.00 0.00 70.33 68.43 1f91 n THR 383 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1f91 s THR 384 N -1.74 0.93 0.15 12.58 2.01 -1.26 -0.84 115.64 127.47 1f91 s THR 384 Ca 0.00 -0.28 0.09 0.00 0.31 0.00 0.00 61.69 61.81 1f91 s THR 384 Cb 0.00 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1f91 s THR 384 CO 0.00 0.33 -0.21 0.68 -0.69 0.00 0.00 174.62 174.73 1f91 s VAL 385 N 1.29 1.97 0.08 3.82 -7.23 0.15 -0.57 120.40 119.91 1f91 s VAL 385 Ca -0.04 -1.83 0.07 0.00 -1.81 0.00 0.00 61.98 58.37 1f91 s VAL 385 Cb -0.14 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 1f91 s VAL 385 CO -0.03 -0.16 -0.18 -0.32 -0.31 0.00 0.00 175.10 174.10 1f91 s MET 386 N -2.46 1.06 -0.03 4.82 -2.45 -0.22 -0.91 119.30 119.11 1f91 s MET 386 Ca 0.14 -1.02 -0.01 0.00 -1.25 0.00 0.00 55.69 53.55 1f91 s MET 386 Cb -0.08 -1.20 0.03 0.00 1.25 0.00 0.00 34.83 34.83 1f91 s MET 386 CO 0.07 0.28 0.04 0.45 1.05 0.00 0.00 175.02 176.91 1f91 s SER 387 N -1.66 0.47 -0.01 1.11 0.15 -0.32 -0.49 113.70 112.94 1f91 s SER 387 Ca 0.04 0.05 -0.02 0.00 0.70 0.00 0.00 55.95 56.72 1f91 s SER 387 Cb -0.10 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.07 1f91 s SER 387 CO 0.03 -0.17 0.12 0.20 1.20 0.00 0.00 173.24 174.62 1f91 s ASN 388 N 1.46 5.98 -0.13 5.45 0.01 -0.85 -1.86 114.94 125.00 1f91 s ASN 388 Ca -0.04 0.24 -0.04 0.00 -0.71 0.00 0.00 52.86 52.31 1f91 s ASN 388 Cb -0.13 -1.80 0.06 0.00 0.41 0.00 0.00 41.25 39.80 1f91 s ASN 388 CO -0.03 0.28 0.17 -0.44 -1.51 0.00 0.00 177.10 175.57 1f91 s SER 389 N -1.75 1.08 -0.11 -1.22 0.01 -0.25 -3.65 113.70 107.81 1f91 s SER 389 Ca 0.24 0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.61 1f91 s SER 389 Cb -0.12 0.26 0.01 0.00 0.21 0.00 0.00 66.02 66.38 1f91 s SER 389 CO 0.15 -0.28 -0.16 -0.36 0.41 0.00 0.00 173.24 173.00 1f91 s PHE 390 N 2.29 2.00 0.44 2.43 0.08 -1.26 -0.59 117.98 123.37 1f91 s PHE 390 Ca 0.04 -0.93 0.06 0.00 0.12 0.00 0.00 56.93 56.23 1f91 s PHE 390 Cb -0.13 -1.43 -0.05 0.00 -0.57 0.00 0.00 43.02 40.83 1f91 s PHE 390 CO -0.08 -0.47 0.11 0.20 -0.10 0.00 0.00 175.22 174.89 1f91 s GLY 391 N 0.92 2.50 0.78 4.36 0.00 0.52 -4.57 107.32 111.84 1f91 s GLY 391 Ca -0.08 -1.85 -0.14 0.00 0.00 0.00 0.00 44.72 42.65 1f91 s GLY 391 CO -0.01 -2.02 1.18 0.69 0.00 0.00 0.00 173.10 172.94 1f91 n PHE 392 N -1.19 1.24 -0.68 1.90 0.99 -1.26 -2.54 117.46 115.92 1f91 n PHE 392 Ca -0.05 0.40 0.00 0.00 -0.00 0.00 0.00 57.45 57.80 1f91 n PHE 392 Cb 0.66 -2.12 0.00 0.00 -1.00 0.00 0.00 39.48 37.02 1f91 n PHE 392 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1f91 n GLY 393 N 0.67 0.69 3.35 1.37 0.00 0.28 -4.06 105.19 107.50 1f91 n GLY 393 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1f91 n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f91 n GLY 394 N -2.57 -0.53 3.70 -0.02 0.00 -1.05 -4.70 105.19 100.02 1f91 n GLY 394 Ca 0.00 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1f91 n GLY 394 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1f91 s THR 395 N -3.25 5.33 0.02 2.61 -1.32 -1.10 -0.17 115.64 117.76 1f91 s THR 395 Ca 0.46 0.37 0.08 0.00 -1.21 0.00 0.00 61.69 61.39 1f91 s THR 395 Cb -0.21 -3.56 -0.02 0.00 -1.51 0.00 0.00 72.50 67.20 1f91 s THR 395 CO 0.57 0.37 -0.23 0.20 -2.21 0.00 0.00 174.62 173.32 1f91 s ASN 396 N 0.70 2.73 -0.04 8.08 0.01 -0.31 -0.36 114.94 125.75 1f91 s ASN 396 Ca 0.12 -0.49 -0.04 0.00 -0.71 0.00 0.00 52.86 51.74 1f91 s ASN 396 Cb -0.13 -0.27 0.01 0.00 0.41 0.00 0.00 41.25 41.27 1f91 s ASN 396 CO 0.03 0.24 0.11 0.00 -1.51 0.00 0.00 177.10 175.96 1f91 s ALA 397 N -0.68 -0.26 -0.01 0.60 0.00 0.24 -1.99 121.76 119.66 1f91 s ALA 397 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1f91 s ALA 397 Cb -0.09 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1f91 s ALA 397 CO 0.01 -0.06 0.01 0.99 0.00 0.00 0.00 175.76 176.70 1f91 s THR 398 N -0.02 0.03 -0.03 0.00 2.01 -0.36 -1.09 115.64 116.18 1f91 s THR 398 Ca -0.01 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.12 1f91 s THR 398 Cb -0.01 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.40 1f91 s THR 398 CO 0.00 0.05 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.00 1f91 s LEU 399 N 0.45 2.03 -0.13 4.42 1.43 -0.78 -1.42 118.68 124.68 1f91 s LEU 399 Ca -0.04 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1f91 s LEU 399 Cb -0.06 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.99 1f91 s LEU 399 CO -0.01 0.25 -0.20 -0.69 0.23 0.00 0.00 176.35 175.94 1f91 s VAL 400 N -0.36 1.87 0.00 -1.59 1.01 -0.12 -1.18 120.40 120.04 1f91 s VAL 400 Ca 0.04 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.23 1f91 s VAL 400 Cb -0.10 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1f91 s VAL 400 CO 0.01 0.51 -0.21 -0.04 0.00 0.00 0.00 175.10 175.36 1f91 s MET 401 N 0.90 1.63 0.01 2.72 -1.94 -0.08 -1.32 119.30 121.21 1f91 s MET 401 Ca -0.06 -0.84 0.02 0.00 -1.71 0.00 0.00 55.69 53.10 1f91 s MET 401 Cb -0.15 -1.64 -0.01 0.00 2.01 0.00 0.00 34.83 35.04 1f91 s MET 401 CO -0.02 0.44 -0.05 0.50 -0.01 0.00 0.00 175.02 175.87 1f91 s ARG 402 N -0.74 0.41 0.52 2.03 3.52 -0.39 -0.67 118.95 123.62 1f91 s ARG 402 Ca 0.08 -0.31 -0.22 0.00 -0.13 0.00 0.00 55.73 55.15 1f91 s ARG 402 Cb -0.08 -0.33 -0.06 0.00 -1.56 0.00 0.00 34.95 32.91 1f91 s ARG 402 CO 0.00 0.08 1.25 1.63 -0.81 0.00 0.00 175.30 177.46 1f91 n LYS 403 N 2.59 1.61 -2.92 5.12 5.02 -0.02 -0.98 118.16 128.58 1f91 n LYS 403 Ca -0.15 0.59 -0.41 0.00 -2.02 0.00 0.00 58.31 56.32 1f91 n LYS 403 Cb 0.57 -2.43 -0.04 0.00 -0.02 0.00 0.00 35.03 33.11 1f91 n LYS 403 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1f91 s LEU 404 N -2.59 4.31 -0.73 -0.35 2.96 -1.26 -4.79 118.68 116.23 1f91 s LEU 404 Ca 0.69 1.34 -0.32 0.00 -0.22 0.00 0.00 54.13 55.61 1f91 s LEU 404 Cb -0.45 -3.26 -0.17 0.00 0.50 0.00 0.00 46.19 42.81 1f91 s LEU 404 CO 0.52 -0.20 2.49 2.29 -1.32 0.00 0.00 176.35 180.13 1f91 n LYS 405 N 4.03 0.37 0.00 1.98 0.00 -1.26 -5.11 118.16 118.17 1f91 n LYS 405 Ca 0.02 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1f91 n LYS 405 Cb 0.51 -2.05 0.00 0.00 -0.00 0.00 0.00 35.03 33.49 1f91 n LYS 405 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93