#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x97 s ALA 1 N 0.00 3.55 -0.53 -5.12 0.00 -1.26 -4.92 121.76 113.47 1x97 s ALA 1 Ca 0.00 1.18 0.26 0.00 0.00 0.00 0.00 51.96 53.40 1x97 s ALA 1 Cb 0.00 -3.50 0.83 0.00 0.00 0.00 0.00 23.12 20.46 1x97 s ALA 1 CO 0.00 -0.59 1.75 0.66 0.00 0.00 0.00 175.76 177.58 1x97 h SER 2 N 5.00 0.00 -4.00 0.00 4.64 -2.02 -3.46 113.55 113.71 1x97 h SER 2 Ca -0.46 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.54 1x97 h SER 2 Cb 1.22 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.16 1x97 h SER 2 CO 0.76 0.00 -0.71 -0.13 -0.87 0.00 0.00 176.83 175.87 1x97 s ARG 3 N -3.23 1.05 0.02 4.77 0.52 -1.26 -1.20 118.95 119.61 1x97 s ARG 3 Ca 0.07 -1.44 0.08 0.00 -0.52 0.00 0.00 55.73 53.92 1x97 s ARG 3 Cb 0.10 -0.60 -0.02 0.00 0.52 0.00 0.00 34.95 34.94 1x97 s ARG 3 CO 0.55 0.07 -0.23 -1.50 0.02 0.00 0.00 175.30 174.21 1x97 s ILE 4 N -3.32 1.85 -0.12 1.52 2.07 -0.16 -4.89 121.20 118.16 1x97 s ILE 4 Ca 0.16 -1.16 -0.26 0.00 -1.41 0.00 0.00 60.65 57.99 1x97 s ILE 4 Cb 0.03 -1.57 -0.02 0.00 0.13 0.00 0.00 42.46 41.02 1x97 s ILE 4 CO 0.00 0.38 0.84 -0.22 -1.91 0.00 0.00 174.94 174.03 1x97 s LEU 5 N -0.93 4.24 0.44 8.50 2.96 -1.26 -0.25 118.68 132.37 1x97 s LEU 5 Ca 0.09 1.27 -0.05 0.00 -0.22 0.00 0.00 54.13 55.22 1x97 s LEU 5 Cb -0.09 -3.27 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 1x97 s LEU 5 CO 0.01 -0.32 0.74 -0.76 -1.32 0.00 0.00 176.35 174.69 1x97 s LEU 6 N 1.70 3.74 0.00 -0.68 1.43 -0.31 -4.97 118.68 119.59 1x97 s LEU 6 Ca 0.41 0.88 0.07 0.00 -1.03 0.00 0.00 54.13 54.46 1x97 s LEU 6 Cb -0.18 -3.80 0.41 0.00 0.03 0.00 0.00 46.19 42.65 1x97 s LEU 6 CO 0.16 -0.49 1.06 -0.46 0.23 0.00 0.00 176.35 176.85 1x97 n ASN 7 N -1.95 0.00 -0.82 2.29 0.23 -1.26 -1.27 115.26 112.48 1x97 n ASN 7 Ca -0.00 -1.31 0.10 0.00 -0.53 0.00 0.00 54.58 52.84 1x97 n ASN 7 Cb 0.55 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.35 1x97 n ASN 7 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1x97 n ASN 8 N -0.64 2.74 0.00 0.53 2.04 -1.26 -4.99 115.26 113.68 1x97 n ASN 8 Ca 0.05 -1.84 0.00 0.00 -0.44 0.00 0.00 54.58 52.35 1x97 n ASN 8 Cb 0.02 -0.03 0.00 0.00 -2.53 0.00 0.00 39.78 37.24 1x97 n ASN 8 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1x97 n GLY 9 N 1.13 0.86 3.94 4.83 0.00 -0.39 -5.05 105.19 110.51 1x97 n GLY 9 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1x97 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x97 s ALA 10 N -3.41 3.75 -0.15 4.61 0.00 -1.26 -4.86 121.76 120.45 1x97 s ALA 10 Ca 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 1x97 s ALA 10 Cb 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1x97 s ALA 10 CO 0.00 0.13 0.05 0.15 0.00 0.00 0.00 175.76 176.09 1x97 s LYS 11 N -4.01 3.66 -0.13 0.00 1.02 -1.26 -1.16 119.74 117.86 1x97 s LYS 11 Ca 0.39 -0.34 -0.02 0.00 0.02 0.00 0.00 55.97 56.02 1x97 s LYS 11 Cb -0.10 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 1x97 s LYS 11 CO 0.33 0.43 -0.08 1.41 -0.92 0.00 0.00 175.35 176.53 1x97 s MET 12 N -0.10 3.43 0.20 1.68 -2.45 0.65 -4.88 119.30 117.83 1x97 s MET 12 Ca 0.06 -0.59 -0.31 0.00 -1.25 0.00 0.00 55.69 53.60 1x97 s MET 12 Cb -0.12 -2.75 -0.10 0.00 1.25 0.00 0.00 34.83 33.10 1x97 s MET 12 CO 0.01 0.29 1.54 -2.14 1.05 0.00 0.00 175.02 175.77 1x97 s PRO 13 N 0.19 4.22 0.19 4.11 0.02 -1.26 -0.99 135.00 141.48 1x97 s PRO 13 Ca -0.05 2.36 0.25 0.00 0.02 0.00 0.00 61.00 63.59 1x97 s PRO 13 Cb -0.14 -3.13 0.90 0.00 0.02 0.00 0.00 34.50 32.15 1x97 s PRO 13 CO 0.04 -0.56 1.75 0.44 -0.33 0.00 0.00 177.00 178.34 1x97 n ILE 14 N 3.39 0.63 -4.24 2.83 -5.35 -0.34 -4.52 119.36 111.76 1x97 n ILE 14 Ca 0.12 -0.05 -0.34 0.00 -0.27 0.00 0.00 62.75 62.21 1x97 n ILE 14 Cb 0.39 -0.79 -0.15 0.00 -1.74 0.00 0.00 39.64 37.34 1x97 n ILE 14 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1x97 s LEU 15 N -4.23 2.56 0.27 7.28 2.96 -1.26 -0.12 118.68 126.13 1x97 s LEU 15 Ca 0.09 -0.47 0.06 0.00 -0.22 0.00 0.00 54.13 53.58 1x97 s LEU 15 Cb 0.12 -1.61 -0.06 0.00 0.50 0.00 0.00 46.19 45.14 1x97 s LEU 15 CO 0.50 0.04 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.69 1x97 s GLY 16 N 1.11 1.77 -0.23 7.98 0.00 -0.22 -4.35 107.32 113.36 1x97 s GLY 16 Ca 0.00 -1.87 -0.13 0.00 0.00 0.00 0.00 44.72 42.73 1x97 s GLY 16 CO -0.04 -1.80 0.25 -2.27 0.00 0.00 0.00 173.10 169.25 1x97 s LEU 17 N -3.41 4.11 0.47 0.66 2.96 0.05 -3.38 118.68 120.15 1x97 s LEU 17 Ca 0.29 0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 54.26 1x97 s LEU 17 Cb 0.04 -2.26 -0.09 0.00 0.50 0.00 0.00 46.19 44.38 1x97 s LEU 17 CO 0.11 -0.01 0.97 -0.83 -1.32 0.00 0.00 176.35 175.28 1x97 s GLY 18 N 1.15 2.26 0.00 7.98 0.00 -0.53 -0.76 107.32 117.41 1x97 s GLY 18 Ca 0.12 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.17 1x97 s GLY 18 CO 0.06 0.61 0.46 -1.30 0.00 0.00 0.00 173.10 172.94 1x97 n THR 19 N -1.09 0.21 -1.96 0.90 -2.24 -1.14 -4.15 114.28 104.81 1x97 n THR 19 Ca 0.07 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1x97 n THR 19 Cb 0.54 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.92 1x97 n THR 19 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1x97 s TRP 20 N -0.21 2.70 0.00 4.78 -0.00 -1.26 -1.85 118.94 123.09 1x97 s TRP 20 Ca 0.00 0.48 0.00 0.00 -0.00 0.00 0.00 56.10 56.58 1x97 s TRP 20 Cb 0.00 -3.92 0.00 0.00 -0.00 0.00 0.00 33.47 29.55 1x97 s TRP 20 CO 0.00 -3.55 0.00 1.63 -0.00 0.00 0.00 176.95 175.03 1x97 n LYS 21 N 4.98 0.00 -2.27 5.86 5.02 -1.26 -4.99 118.16 125.49 1x97 n LYS 21 Ca 0.15 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.01 1x97 n LYS 21 Cb 0.40 -2.32 -0.02 0.00 -0.02 0.00 0.00 35.03 33.07 1x97 n LYS 21 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1x97 s SER 22 N -2.95 6.81 0.41 4.39 0.01 -0.77 -4.94 113.70 116.66 1x97 s SER 22 Ca 0.00 1.84 -0.26 0.00 1.31 0.00 0.00 55.95 58.84 1x97 s SER 22 Cb 0.00 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.60 1x97 s SER 22 CO 0.00 -0.86 1.39 -2.65 0.41 0.00 0.00 173.24 171.53 1x97 n PRO 23 N 6.87 2.25 0.18 12.44 -0.02 -1.26 -4.71 135.00 150.75 1x97 n PRO 23 Ca 0.15 0.80 0.07 0.00 -2.02 0.00 0.00 63.50 62.50 1x97 n PRO 23 Cb 0.44 -2.54 0.58 0.00 -0.02 0.00 0.00 33.50 31.96 1x97 n PRO 23 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1x97 h PRO 24 N 2.41 0.15 0.00 0.52 0.13 -1.92 0.10 132.00 133.40 1x97 h PRO 24 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1x97 h PRO 24 Cb 1.27 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x97 h PRO 24 CO 0.61 0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 1x97 n GLY 25 N -1.52 -1.11 0.00 1.56 0.00 -1.26 -3.79 105.19 99.06 1x97 n GLY 25 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1x97 n GLY 25 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x97 n GLN 26 N -1.34 1.23 0.15 1.61 6.02 0.14 -4.80 117.38 120.39 1x97 n GLN 26 Ca 0.10 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.12 1x97 n GLN 26 Cb 0.21 -0.90 0.13 0.00 1.02 0.00 0.00 30.24 30.70 1x97 n GLN 26 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1x97 h VAL 27 N 0.00 0.89 -0.10 5.09 3.04 -1.07 -1.88 116.25 122.22 1x97 h VAL 27 Ca 0.00 -2.02 -0.00 0.00 -1.01 0.00 0.00 66.70 63.67 1x97 h VAL 27 Cb 0.00 2.27 -0.00 0.00 -2.01 0.00 0.00 31.29 31.54 1x97 h VAL 27 CO 0.00 0.46 0.05 0.74 -1.01 0.00 0.00 177.57 177.82 1x97 h THR 28 N 0.00 1.10 -0.64 3.17 2.02 -1.76 -0.65 112.91 116.16 1x97 h THR 28 Ca -0.00 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1x97 h THR 28 Cb 1.23 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 1x97 h THR 28 CO 0.06 0.09 0.20 -0.08 0.37 0.00 0.00 175.52 176.16 1x97 h GLU 29 N 0.05 0.97 -0.58 6.66 4.57 -1.87 -1.45 114.58 122.93 1x97 h GLU 29 Ca 0.03 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1x97 h GLU 29 Cb 0.10 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1x97 h GLU 29 CO -0.00 0.84 0.32 0.00 -1.18 0.00 0.00 179.01 178.98 1x97 h ALA 30 N 1.27 0.74 -0.17 2.92 0.00 -1.08 0.29 119.26 123.23 1x97 h ALA 30 Ca 0.21 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1x97 h ALA 30 Cb 0.27 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1x97 h ALA 30 CO -0.01 0.26 -0.61 0.28 0.00 0.00 0.00 179.25 179.17 1x97 h VAL 31 N 0.78 1.32 -0.10 0.00 2.07 -0.92 -0.81 116.25 118.60 1x97 h VAL 31 Ca 0.20 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1x97 h VAL 31 Cb 0.04 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1x97 h VAL 31 CO -0.03 0.59 0.06 0.11 0.02 0.00 0.00 177.57 178.31 1x97 h LYS 32 N 0.45 0.12 -0.47 1.57 1.57 -1.00 -0.76 116.57 118.05 1x97 h LYS 32 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1x97 h LYS 32 Cb 1.18 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1x97 h LYS 32 CO 0.12 0.08 0.24 0.28 -0.57 0.00 0.00 179.45 179.60 1x97 h VAL 33 N 0.13 1.18 -0.23 0.50 2.07 -0.88 -1.12 116.25 117.89 1x97 h VAL 33 Ca 0.04 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.13 1x97 h VAL 33 Cb -0.01 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1x97 h VAL 33 CO -0.01 0.19 -0.09 0.00 0.02 0.00 0.00 177.57 177.68 1x97 h ALA 34 N 1.09 0.11 -0.95 1.67 0.00 -0.99 -0.49 119.26 119.70 1x97 h ALA 34 Ca 0.16 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1x97 h ALA 34 Cb 0.08 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1x97 h ALA 34 CO -0.02 -0.51 0.57 0.82 0.00 0.00 0.00 179.25 180.11 1x97 h ILE 35 N -0.05 1.26 -0.28 0.00 2.04 -0.96 -0.25 117.51 119.27 1x97 h ILE 35 Ca 0.12 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1x97 h ILE 35 Cb 0.23 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1x97 h ILE 35 CO -0.27 0.28 0.12 0.44 0.00 0.00 0.00 178.15 178.72 1x97 h ASP 36 N 1.31 0.34 -0.70 1.72 3.32 -0.49 -2.81 116.42 119.11 1x97 h ASP 36 Ca 0.34 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1x97 h ASP 36 Cb -0.05 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1x97 h ASP 36 CO -0.06 0.31 0.00 1.33 -1.72 0.00 0.00 179.24 179.10 1x97 n VAL 37 N -4.43 1.26 0.00 -1.35 0.24 -0.26 -4.93 118.33 108.86 1x97 n VAL 37 Ca 0.01 -1.06 0.00 0.00 -2.04 0.00 0.00 64.34 61.25 1x97 n VAL 37 Cb 0.12 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1x97 n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x97 n GLY 38 N 1.46 1.42 3.77 7.63 0.00 -0.85 -5.02 105.19 113.60 1x97 n GLY 38 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 1x97 n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x97 s TYR 39 N -1.30 3.10 0.00 1.61 1.51 -0.16 -4.88 117.35 117.23 1x97 s TYR 39 Ca 0.00 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 1x97 s TYR 39 Cb 0.00 -3.42 0.00 0.00 -0.11 0.00 0.00 41.96 38.43 1x97 s TYR 39 CO 0.00 -1.33 0.53 0.54 -1.11 0.00 0.00 175.55 174.17 1x97 n ARG 40 N 0.24 0.60 -4.33 -0.62 5.12 -1.26 -4.21 116.66 112.19 1x97 n ARG 40 Ca 0.03 -0.66 -0.21 0.00 -1.93 0.00 0.00 57.85 55.08 1x97 n ARG 40 Cb 0.46 -0.75 -0.16 0.00 -1.16 0.00 0.00 32.46 30.84 1x97 n ARG 40 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1x97 s HIS 41 N -0.28 0.98 -0.08 -1.55 2.46 -1.26 0.64 115.29 116.21 1x97 s HIS 41 Ca 0.00 -0.30 0.03 0.00 0.47 0.00 0.00 55.06 55.25 1x97 s HIS 41 Cb 0.00 -0.78 0.01 0.00 -0.13 0.00 0.00 32.58 31.68 1x97 s HIS 41 CO 0.00 -0.19 -0.15 0.42 -2.47 0.00 0.00 174.74 172.34 1x97 s ILE 42 N 0.69 1.38 -0.24 0.89 -1.09 -0.98 -0.77 121.20 121.08 1x97 s ILE 42 Ca -0.11 -0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 57.58 1x97 s ILE 42 Cb -0.14 -1.24 -0.05 0.00 -1.58 0.00 0.00 42.46 39.45 1x97 s ILE 42 CO 0.01 0.41 0.19 -0.62 -1.23 0.00 0.00 174.94 173.70 1x97 s ASP 43 N 0.64 6.13 0.30 3.58 2.15 0.06 -1.79 116.67 127.73 1x97 s ASP 43 Ca -0.14 0.13 0.04 0.00 0.43 0.00 0.00 52.55 53.00 1x97 s ASP 43 Cb -0.16 -2.12 -0.06 0.00 -0.30 0.00 0.00 42.92 40.28 1x97 s ASP 43 CO 0.04 0.03 0.04 0.00 -0.17 0.00 0.00 175.17 175.11 1x97 s ALA 45 N -3.30 -1.83 0.32 0.00 0.00 -1.26 -3.70 121.76 111.99 1x97 s ALA 45 Ca 0.35 1.88 0.03 0.00 0.00 0.00 0.00 51.96 54.21 1x97 s ALA 45 Cb 0.08 -1.06 0.61 0.00 0.00 0.00 0.00 23.12 22.75 1x97 s ALA 45 CO 0.14 -0.32 1.91 1.25 0.00 0.00 0.00 175.76 178.75 1x97 h HIS 46 N 4.41 0.96 0.00 0.00 -0.00 -1.98 -1.74 115.15 116.81 1x97 h HIS 46 Ca -0.28 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1x97 h HIS 46 Cb 1.16 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 28.26 1x97 h HIS 46 CO 0.37 0.48 0.00 1.55 -0.00 0.00 0.00 177.93 180.33 1x97 n VAL 47 N -4.50 0.86 0.40 5.26 3.14 -1.26 -1.93 118.33 120.30 1x97 n VAL 47 Ca 0.14 0.29 0.14 0.00 -2.96 0.00 0.00 64.34 61.94 1x97 n VAL 47 Cb 0.24 -1.23 0.47 0.00 -1.06 0.00 0.00 33.84 32.26 1x97 n VAL 47 CO 0.00 0.00 0.00 1.88 -6.46 0.00 0.00 176.83 172.25 1x97 h TYR 48 N 0.00 0.00 -1.78 1.45 0.05 -1.71 -3.47 116.97 111.51 1x97 h TYR 48 Ca 0.00 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.48 1x97 h TYR 48 Cb 0.32 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 1x97 h TYR 48 CO 0.00 0.00 -0.36 1.04 -1.05 0.00 0.00 178.16 177.79 1x97 n GLN 49 N -2.58 -1.16 -0.13 4.88 6.02 -0.81 -4.80 117.38 118.79 1x97 n GLN 49 Ca 0.03 0.81 0.01 0.00 -0.01 0.00 0.00 57.00 57.83 1x97 n GLN 49 Cb 0.34 -5.09 0.01 0.00 1.02 0.00 0.00 30.24 26.52 1x97 n GLN 49 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1x97 n ASN 50 N -0.76 0.45 0.21 1.08 2.04 -1.26 -4.84 115.26 112.17 1x97 n ASN 50 Ca -0.17 -1.53 0.05 0.00 -0.44 0.00 0.00 54.58 52.48 1x97 n ASN 50 Cb 0.60 -0.08 0.47 0.00 -2.53 0.00 0.00 39.78 38.24 1x97 n ASN 50 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 1x97 h GLU 51 N 0.00 0.00 -0.82 -3.83 5.08 -1.89 -1.65 114.58 111.48 1x97 h GLU 51 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1x97 h GLU 51 Cb 1.03 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1x97 h GLU 51 CO 0.00 0.23 0.36 -0.97 -1.00 0.00 0.00 179.01 177.63 1x97 h ASN 52 N 0.00 1.10 0.46 1.42 -0.00 -1.89 -0.65 115.58 116.03 1x97 h ASN 52 Ca -0.00 -0.15 -0.17 0.00 -0.00 0.00 0.00 56.30 55.97 1x97 h ASN 52 Cb 0.42 -0.28 -0.01 0.00 -0.00 0.00 0.00 38.32 38.45 1x97 h ASN 52 CO 0.03 0.95 -0.75 -0.33 -0.00 0.00 0.00 177.43 177.34 1x97 h GLU 53 N 1.18 0.23 -0.48 6.67 3.07 -1.73 -0.86 114.58 122.67 1x97 h GLU 53 Ca 0.28 -0.20 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 1x97 h GLU 53 Cb 0.17 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 1x97 h GLU 53 CO -0.03 0.88 0.27 0.28 -1.40 0.00 0.00 179.01 179.01 1x97 h VAL 54 N 0.15 1.16 -0.99 3.13 2.07 -1.07 -2.91 116.25 117.79 1x97 h VAL 54 Ca -0.03 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1x97 h VAL 54 Cb 1.32 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1x97 h VAL 54 CO 0.12 0.17 0.65 1.23 0.02 0.00 0.00 177.57 179.75 1x97 h GLY 55 N 0.63 1.42 0.65 2.17 0.00 -0.67 -1.96 103.07 105.31 1x97 h GLY 55 Ca 0.17 -0.50 0.08 0.00 0.00 0.00 0.00 47.33 47.08 1x97 h GLY 55 CO -0.03 0.45 0.59 -2.08 0.00 0.00 0.00 176.54 175.47 1x97 h VAL 56 N 1.28 1.02 -0.27 4.60 2.07 -0.97 0.26 116.25 124.24 1x97 h VAL 56 Ca 0.38 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1x97 h VAL 56 Cb -0.05 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.60 1x97 h VAL 56 CO -0.11 0.19 -0.03 0.00 0.02 0.00 0.00 177.57 177.64 1x97 h ALA 57 N 1.46 0.36 -0.27 1.67 0.00 -1.32 -1.52 119.26 119.65 1x97 h ALA 57 Ca 0.42 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1x97 h ALA 57 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1x97 h ALA 57 CO -0.20 0.13 0.15 0.82 0.00 0.00 0.00 179.25 180.15 1x97 h ILE 58 N 0.26 1.12 -0.77 0.00 2.04 -0.89 -1.78 117.51 117.48 1x97 h ILE 58 Ca 0.07 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1x97 h ILE 58 Cb 0.47 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1x97 h ILE 58 CO 0.02 0.12 0.49 -0.61 0.00 0.00 0.00 178.15 178.17 1x97 h GLN 59 N 0.32 0.93 -0.39 2.37 5.75 -0.94 0.17 115.11 123.33 1x97 h GLN 59 Ca 0.09 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1x97 h GLN 59 Cb 0.05 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.38 1x97 h GLN 59 CO -0.02 0.62 0.05 1.49 -2.65 0.00 0.00 178.83 178.32 1x97 h GLU 60 N 0.96 0.65 -0.07 1.69 4.81 -0.90 0.49 114.58 122.22 1x97 h GLU 60 Ca 0.31 -0.18 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 1x97 h GLU 60 Cb 0.01 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1x97 h GLU 60 CO -0.11 0.72 -0.53 0.87 -0.73 0.00 0.00 179.01 179.23 1x97 h LYS 61 N 0.49 0.19 -0.14 1.92 1.79 -0.85 -0.05 116.57 119.92 1x97 h LYS 61 Ca 0.12 -0.11 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1x97 h LYS 61 Cb 0.39 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1x97 h LYS 61 CO 0.01 0.67 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.95 1x97 h LEU 62 N 0.15 0.26 -1.03 2.94 3.38 -0.72 -0.66 115.31 119.64 1x97 h LEU 62 Ca 0.00 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 1x97 h LEU 62 Cb 0.98 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1x97 h LEU 62 CO 0.08 0.57 0.14 -0.09 0.09 0.00 0.00 178.44 179.22 1x97 h ARG 63 N -0.05 0.83 0.00 1.13 2.43 -0.56 -1.66 114.38 116.51 1x97 h ARG 63 Ca 0.03 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1x97 h ARG 63 Cb 0.45 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1x97 h ARG 63 CO 0.01 0.75 0.00 0.39 -1.51 0.00 0.00 179.97 179.61 1x97 n GLU 64 N -4.28 0.13 -3.99 0.20 1.02 -0.06 -4.88 120.64 108.78 1x97 n GLU 64 Ca 0.04 0.18 -0.32 0.00 -0.02 0.00 0.00 57.16 57.04 1x97 n GLU 64 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1x97 n GLU 64 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1x97 n GLN 65 N -1.37 -4.28 0.08 3.49 6.02 -0.62 -4.87 117.38 115.81 1x97 n GLN 65 Ca 0.06 0.49 -0.06 0.00 -0.01 0.00 0.00 57.00 57.48 1x97 n GLN 65 Cb 0.15 -5.30 0.11 0.00 1.02 0.00 0.00 30.24 26.22 1x97 n GLN 65 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1x97 h VAL 66 N -1.71 1.38 -3.44 5.09 2.07 -1.36 -3.46 116.25 114.82 1x97 h VAL 66 Ca -0.57 -1.97 -0.11 0.00 0.82 0.00 0.00 66.70 64.87 1x97 h VAL 66 Cb 1.37 1.99 -0.18 0.00 -1.52 0.00 0.00 31.29 32.95 1x97 h VAL 66 CO 0.71 0.59 -0.36 0.54 0.02 0.00 0.00 177.57 179.06 1x97 s VAL 67 N -3.77 0.09 0.22 2.57 0.11 -1.22 -5.06 120.40 113.33 1x97 s VAL 67 Ca -0.04 -0.78 -0.06 0.00 -2.93 0.00 0.00 61.98 58.17 1x97 s VAL 67 Cb 0.12 -0.83 -0.06 0.00 -1.53 0.00 0.00 36.38 34.08 1x97 s VAL 67 CO 0.80 -0.43 0.48 -0.54 -3.33 0.00 0.00 175.10 172.09 1x97 s LYS 68 N -2.29 3.67 0.33 1.54 -0.14 -1.26 -4.39 119.74 117.21 1x97 s LYS 68 Ca -0.07 0.03 0.04 0.00 -1.36 0.00 0.00 55.97 54.61 1x97 s LYS 68 Cb -0.02 -2.72 0.67 0.00 -1.68 0.00 0.00 37.83 34.07 1x97 s LYS 68 CO -0.02 0.34 1.92 -0.09 -0.76 0.00 0.00 175.35 176.74 1x97 h ARG 69 N 2.32 0.83 0.00 1.68 9.65 -1.95 -1.17 114.38 125.75 1x97 h ARG 69 Ca -0.47 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.36 1x97 h ARG 69 Cb 1.18 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 29.57 1x97 h ARG 69 CO 0.69 0.55 -0.03 1.49 2.80 0.00 0.00 179.97 185.48 1x97 h GLU 70 N 0.86 0.00 0.00 0.20 4.57 -2.03 -2.04 114.58 116.14 1x97 h GLU 70 Ca 0.37 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1x97 h GLU 70 Cb 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1x97 h GLU 70 CO -0.14 0.03 -0.55 0.93 -1.18 0.00 0.00 179.01 178.09 1x97 h GLU 71 N 0.00 0.00 -6.71 1.92 5.08 -1.61 -3.46 114.58 109.80 1x97 h GLU 71 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1x97 h GLU 71 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1x97 h GLU 71 CO 0.00 0.00 0.05 -0.51 -1.00 0.00 0.00 179.01 177.56 1x97 s LEU 72 N -5.46 3.99 -0.33 1.33 1.43 -0.77 -4.84 118.68 114.04 1x97 s LEU 72 Ca 0.04 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.26 1x97 s LEU 72 Cb 0.09 -3.95 0.10 0.00 0.03 0.00 0.00 46.19 42.46 1x97 s LEU 72 CO 0.73 -0.26 0.11 0.12 0.23 0.00 0.00 176.35 177.28 1x97 s PHE 73 N -2.11 2.02 -0.18 0.29 2.19 0.21 -4.95 117.98 115.45 1x97 s PHE 73 Ca 0.51 -1.99 -0.06 0.00 0.33 0.00 0.00 56.93 55.72 1x97 s PHE 73 Cb -0.10 -1.90 -0.03 0.00 -1.31 0.00 0.00 43.02 39.67 1x97 s PHE 73 CO 0.24 -0.88 0.03 0.42 1.83 0.00 0.00 175.22 176.86 1x97 s ILE 74 N 1.37 4.42 -0.08 3.12 -1.09 -1.26 -2.32 121.20 125.35 1x97 s ILE 74 Ca 0.11 -0.16 0.03 0.00 -2.23 0.00 0.00 60.65 58.40 1x97 s ILE 74 Cb -0.18 -2.98 -0.01 0.00 -1.58 0.00 0.00 42.46 37.70 1x97 s ILE 74 CO -0.20 0.46 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.10 1x97 s VAL 75 N 0.51 2.62 0.22 2.92 1.01 -0.74 -1.29 120.40 125.64 1x97 s VAL 75 Ca 0.01 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1x97 s VAL 75 Cb -0.13 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1x97 s VAL 75 CO 0.02 0.56 0.16 -0.24 0.00 0.00 0.00 175.10 175.60 1x97 n SER 76 N 3.04 -0.16 -3.80 3.32 2.88 -0.83 -0.63 113.62 117.45 1x97 n SER 76 Ca -0.18 -2.38 -0.13 0.00 -1.33 0.00 0.00 58.87 54.86 1x97 n SER 76 Cb 0.52 0.98 -0.13 0.00 -0.75 0.00 0.00 64.21 64.83 1x97 n SER 76 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1x97 s LYS 77 N -2.88 0.12 -0.20 -1.46 1.02 -1.24 -1.31 119.74 113.79 1x97 s LYS 77 Ca 0.23 0.25 -0.29 0.00 0.02 0.00 0.00 55.97 56.18 1x97 s LYS 77 Cb 0.01 -0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.27 1x97 s LYS 77 CO 0.16 -0.08 1.45 -1.17 -0.92 0.00 0.00 175.35 174.80 1x97 s LEU 78 N 0.52 4.03 0.61 3.17 2.96 0.99 -3.84 118.68 127.12 1x97 s LEU 78 Ca -0.04 1.63 -0.15 0.00 -0.22 0.00 0.00 54.13 55.36 1x97 s LEU 78 Cb -0.05 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 1x97 s LEU 78 CO -0.02 -1.03 1.05 0.86 -1.32 0.00 0.00 176.35 175.89 1x97 s TRP 79 N 4.38 3.05 0.55 5.38 -0.11 -1.26 -2.11 118.94 128.82 1x97 s TRP 79 Ca 0.64 1.49 0.24 0.00 1.22 0.00 0.00 56.10 59.68 1x97 s TRP 79 Cb -0.23 -2.97 1.49 0.00 -1.50 0.00 0.00 33.47 30.26 1x97 s TRP 79 CO 0.24 -1.08 2.12 0.00 -4.62 0.00 0.00 176.95 173.61 1x97 n THR 81 N -4.20 0.06 -1.62 0.00 -2.24 -1.26 -0.92 114.28 104.10 1x97 n THR 81 Ca 0.01 -0.08 0.06 0.00 -2.27 0.00 0.00 64.05 61.78 1x97 n THR 81 Cb 0.26 -0.06 0.16 0.00 -2.10 0.00 0.00 70.33 68.58 1x97 n THR 81 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1x97 n TYR 82 N -0.45 0.00 0.34 4.78 4.01 -0.71 -4.14 117.16 120.99 1x97 n TYR 82 Ca 0.08 -1.19 0.15 0.00 -0.16 0.00 0.00 57.90 56.78 1x97 n TYR 82 Cb 0.09 -0.21 0.55 0.00 -0.31 0.00 0.00 39.34 39.45 1x97 n TYR 82 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1x97 h HIS 83 N 0.73 0.00 -3.85 -0.72 3.86 -1.70 -3.35 115.15 110.13 1x97 h HIS 83 Ca -0.03 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.64 1x97 h HIS 83 Cb 1.13 0.00 0.11 0.00 1.06 0.00 0.00 27.41 29.71 1x97 h HIS 83 CO 0.49 0.00 0.73 0.39 0.86 0.00 0.00 177.93 180.40 1x97 n GLU 84 N -2.74 2.56 -0.27 2.45 -0.58 -1.26 -4.48 120.64 116.32 1x97 n GLU 84 Ca 0.02 0.90 0.12 0.00 -0.42 0.00 0.00 57.16 57.78 1x97 n GLU 84 Cb 0.31 -2.62 0.38 0.00 -0.57 0.00 0.00 31.44 28.94 1x97 n GLU 84 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1x97 h LYS 85 N 2.82 0.67 0.00 3.49 2.10 -1.88 -0.68 116.57 123.09 1x97 h LYS 85 Ca -0.50 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 1x97 h LYS 85 Cb 1.25 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1x97 h LYS 85 CO 0.63 0.44 0.00 0.41 -2.00 0.00 0.00 179.45 178.93 1x97 n GLY 86 N -1.43 -1.08 0.00 0.07 0.00 -1.26 -3.51 105.19 97.97 1x97 n GLY 86 Ca 0.17 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1x97 n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x97 n LEU 87 N -1.12 0.19 -0.06 0.99 4.77 -0.27 -4.75 117.00 116.74 1x97 n LEU 87 Ca 0.19 -0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 1x97 n LEU 87 Cb 0.16 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1x97 n LEU 87 CO 0.19 0.05 0.80 0.58 -1.33 0.00 0.00 177.39 177.68 1x97 h VAL 88 N 0.00 1.21 -0.78 4.08 2.07 -1.56 -2.12 116.25 119.15 1x97 h VAL 88 Ca 0.00 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1x97 h VAL 88 Cb 0.34 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1x97 h VAL 88 CO 0.00 0.21 0.47 0.50 0.02 0.00 0.00 177.57 178.77 1x97 h LYS 89 N 0.12 1.05 -0.72 1.57 3.64 -1.85 -1.06 116.57 119.32 1x97 h LYS 89 Ca 0.06 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1x97 h LYS 89 Cb 0.28 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1x97 h LYS 89 CO 0.00 0.74 0.31 0.78 -2.27 0.00 0.00 179.45 179.01 1x97 h GLY 90 N 1.06 1.12 0.93 5.01 0.00 -1.82 0.12 103.07 109.48 1x97 h GLY 90 Ca 0.28 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 1x97 h GLY 90 CO -0.05 0.54 0.05 0.00 0.00 0.00 0.00 176.54 177.08 1x97 h ALA 91 N 1.31 0.50 -0.38 3.60 0.00 -1.08 0.17 119.26 123.38 1x97 h ALA 91 Ca 0.24 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1x97 h ALA 91 Cb 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1x97 h ALA 91 CO -0.03 0.22 0.10 0.00 0.00 0.00 0.00 179.25 179.55 1x97 h GLN 93 N 0.47 0.52 -0.43 0.00 4.20 -0.60 0.48 115.11 119.75 1x97 h GLN 93 Ca 0.12 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 1x97 h GLN 93 Cb 0.29 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1x97 h GLN 93 CO -0.00 0.48 -0.21 -0.22 -0.67 0.00 0.00 178.83 178.21 1x97 h LYS 94 N 0.51 0.90 -0.60 1.46 1.63 -0.74 -0.75 116.57 118.98 1x97 h LYS 94 Ca 0.12 -0.39 -0.02 0.00 -0.85 0.00 0.00 60.65 59.51 1x97 h LYS 94 Cb 0.20 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 1x97 h LYS 94 CO -0.00 1.05 0.30 1.15 -3.45 0.00 0.00 179.45 178.49 1x97 h THR 95 N 0.73 1.21 -0.38 1.00 2.02 -0.93 -0.61 112.91 115.96 1x97 h THR 95 Ca 0.10 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1x97 h THR 95 Cb 0.78 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1x97 h THR 95 CO 0.06 0.23 0.18 -0.07 0.37 0.00 0.00 175.52 176.29 1x97 h LEU 96 N 0.81 0.49 -0.43 2.58 3.38 -0.65 -0.67 115.31 120.82 1x97 h LEU 96 Ca 0.21 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1x97 h LEU 96 Cb 0.09 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1x97 h LEU 96 CO -0.03 0.48 0.17 0.28 0.09 0.00 0.00 178.44 179.43 1x97 h SER 97 N 0.47 0.20 -0.77 -0.43 0.02 -0.99 0.16 113.55 112.20 1x97 h SER 97 Ca 0.13 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1x97 h SER 97 Cb 0.12 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1x97 h SER 97 CO -0.02 0.15 0.37 0.44 -1.14 0.00 0.00 176.83 176.64 1x97 h ASP 98 N 0.35 1.00 0.55 3.07 3.45 -0.79 -2.57 116.42 121.47 1x97 h ASP 98 Ca 0.20 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1x97 h ASP 98 Cb 0.16 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 1x97 h ASP 98 CO -0.18 0.85 -0.11 0.18 -1.57 0.00 0.00 179.24 178.41 1x97 n LEU 99 N -4.38 0.27 -3.51 1.55 4.77 -0.29 -4.06 117.00 111.36 1x97 n LEU 99 Ca 0.07 0.16 -0.20 0.00 -0.03 0.00 0.00 56.01 56.01 1x97 n LEU 99 Cb 0.13 -0.27 0.08 0.00 -2.33 0.00 0.00 43.42 41.03 1x97 n LEU 99 CO 0.39 0.05 0.16 0.29 -1.33 0.00 0.00 177.39 176.95 1x97 n LYS 100 N -1.19 -7.10 -4.42 3.23 4.01 -0.10 -4.40 118.16 108.18 1x97 n LYS 100 Ca 0.12 0.83 -0.26 0.00 -0.51 0.00 0.00 58.31 58.50 1x97 n LYS 100 Cb 0.29 -5.86 -0.11 0.00 -0.51 0.00 0.00 35.03 28.84 1x97 n LYS 100 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1x97 s LEU 101 N -6.74 2.53 0.00 -0.35 1.43 -0.36 -4.89 118.68 110.30 1x97 s LEU 101 Ca 0.23 -0.89 0.18 0.00 -1.03 0.00 0.00 54.13 52.62 1x97 s LEU 101 Cb -0.10 -1.20 -0.13 0.00 0.03 0.00 0.00 46.19 44.79 1x97 s LEU 101 CO 0.73 0.09 0.83 0.47 0.23 0.00 0.00 176.35 178.71 1x97 n ASP 102 N -0.02 1.16 -3.67 2.29 9.92 -1.26 -4.47 116.55 120.50 1x97 n ASP 102 Ca -0.10 -1.08 -0.11 0.00 -0.53 0.00 0.00 54.79 52.96 1x97 n ASP 102 Cb 0.57 0.83 -0.06 0.00 -0.64 0.00 0.00 41.12 41.82 1x97 n ASP 102 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 1x97 s TYR 103 N -2.53 -0.21 0.01 1.24 -0.85 -1.26 -4.72 117.35 109.03 1x97 s TYR 103 Ca 0.10 0.02 -0.01 0.00 -0.52 0.00 0.00 57.07 56.65 1x97 s TYR 103 Cb 0.14 0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 1x97 s TYR 103 CO 0.66 -0.62 0.16 -0.51 -1.52 0.00 0.00 175.55 173.72 1x97 s LEU 104 N -2.41 4.25 0.21 -3.49 1.43 -0.42 -4.98 118.68 113.28 1x97 s LEU 104 Ca -0.01 0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.45 1x97 s LEU 104 Cb 0.01 -2.62 0.13 0.00 0.03 0.00 0.00 46.19 43.74 1x97 s LEU 104 CO -0.07 0.24 1.48 0.44 0.23 0.00 0.00 176.35 178.67 1x97 h ASP 105 N 3.69 0.03 -3.28 2.29 3.32 -1.53 -0.39 116.42 120.54 1x97 h ASP 105 Ca -0.48 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 1x97 h ASP 105 Cb 1.18 -0.01 -0.25 0.00 0.22 0.00 0.00 39.33 40.47 1x97 h ASP 105 CO 0.69 0.78 -0.20 -0.22 -1.72 0.00 0.00 179.24 178.58 1x97 s LEU 106 N -7.30 -0.27 -0.10 1.55 2.96 -1.08 -2.13 118.68 112.30 1x97 s LEU 106 Ca -0.01 1.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.98 1x97 s LEU 106 Cb 0.12 1.65 0.01 0.00 0.50 0.00 0.00 46.19 48.47 1x97 s LEU 106 CO 0.79 -0.20 -0.16 -0.47 -1.32 0.00 0.00 176.35 174.99 1x97 s TYR 107 N 1.28 1.96 -0.01 5.38 5.04 -0.52 -1.97 117.35 128.51 1x97 s TYR 107 Ca -0.08 -0.87 0.03 0.00 -2.44 0.00 0.00 57.07 53.71 1x97 s TYR 107 Cb -0.07 -1.40 -0.03 0.00 0.35 0.00 0.00 41.96 40.81 1x97 s TYR 107 CO -0.12 -0.43 -0.08 -0.51 -1.34 0.00 0.00 175.55 173.06 1x97 s LEU 108 N 0.84 3.10 -0.20 6.97 1.43 -0.43 -1.08 118.68 129.30 1x97 s LEU 108 Ca -0.10 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 1x97 s LEU 108 Cb -0.15 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1x97 s LEU 108 CO 0.01 0.30 1.46 -0.63 0.23 0.00 0.00 176.35 177.72 1x97 s ILE 109 N -0.94 3.93 0.15 -0.59 1.01 -0.09 -0.01 121.20 124.66 1x97 s ILE 109 Ca 0.16 1.08 -0.12 0.00 0.00 0.00 0.00 60.65 61.77 1x97 s ILE 109 Cb -0.11 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1x97 s ILE 109 CO 0.06 -0.27 1.56 -0.74 0.00 0.00 0.00 174.94 175.55 1x97 h HIS 110 N 9.59 1.03 -3.98 3.97 2.76 -1.70 -1.18 115.15 125.63 1x97 h HIS 110 Ca -0.31 -0.22 -0.17 0.00 -2.20 0.00 0.00 60.37 57.47 1x97 h HIS 110 Cb 1.13 -0.25 -0.21 0.00 1.55 0.00 0.00 27.41 29.63 1x97 h HIS 110 CO 0.87 1.00 -0.70 -1.58 -1.30 0.00 0.00 177.93 176.22 1x97 s TRP 111 N -4.80 0.27 -0.89 5.26 0.52 -1.25 -4.31 118.94 113.74 1x97 s TRP 111 Ca -0.12 -0.53 0.15 0.00 0.02 0.00 0.00 56.10 55.62 1x97 s TRP 111 Cb 0.12 -0.20 0.66 0.00 -1.15 0.00 0.00 33.47 32.90 1x97 s TRP 111 CO 0.84 -0.19 1.49 -0.35 0.02 0.00 0.00 176.95 178.76 1x97 n PRO 112 N 1.59 0.04 -3.00 4.98 -0.04 -1.26 -4.70 135.00 132.62 1x97 n PRO 112 Ca -0.24 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 1x97 n PRO 112 Cb 0.55 -1.58 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1x97 n PRO 112 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1x97 s THR 113 N -3.07 4.82 0.09 0.52 -4.23 -1.26 -4.85 115.64 107.66 1x97 s THR 113 Ca 0.06 1.00 -0.21 0.00 -1.18 0.00 0.00 61.69 61.36 1x97 s THR 113 Cb 0.09 -4.12 -0.07 0.00 1.34 0.00 0.00 72.50 69.74 1x97 s THR 113 CO 0.27 -0.27 0.64 -0.83 -0.54 0.00 0.00 174.62 173.89 1x97 s GLY 114 N 1.68 2.75 0.20 3.99 0.00 -1.26 -4.60 107.32 110.09 1x97 s GLY 114 Ca 0.30 0.14 0.11 0.00 0.00 0.00 0.00 44.72 45.27 1x97 s GLY 114 CO 0.13 0.62 -0.19 -1.36 0.00 0.00 0.00 173.10 172.31 1x97 s PHE 115 N -1.02 2.40 0.02 1.90 0.08 -0.10 -1.18 117.98 120.08 1x97 s PHE 115 Ca 0.31 -0.32 -0.37 0.00 0.12 0.00 0.00 56.93 56.68 1x97 s PHE 115 Cb -0.21 -1.16 -0.16 0.00 -0.57 0.00 0.00 43.02 40.93 1x97 s PHE 115 CO 0.21 0.53 1.50 1.17 -0.10 0.00 0.00 175.22 178.54 1x97 n LYS 116 N 0.07 1.44 -1.23 0.44 4.81 -0.41 -4.19 118.16 119.09 1x97 n LYS 116 Ca -0.11 0.52 -0.33 0.00 -0.87 0.00 0.00 58.31 57.53 1x97 n LYS 116 Cb 0.56 -2.22 0.11 0.00 0.02 0.00 0.00 35.03 33.51 1x97 n LYS 116 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1x97 s PRO 117 N 1.39 1.91 0.00 1.64 0.04 -1.26 -4.79 135.00 133.94 1x97 s PRO 117 Ca 0.86 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1x97 s PRO 117 Cb -0.90 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1x97 s PRO 117 CO 0.49 -1.97 0.00 0.41 0.04 0.00 0.00 177.00 175.97 1x97 n GLY 118 N -0.01 -0.55 0.17 0.56 0.00 -1.26 -4.96 105.19 99.14 1x97 n GLY 118 Ca 0.12 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.48 1x97 n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x97 h LYS 119 N 3.66 0.00 -6.41 1.61 1.57 -1.99 -3.43 116.57 111.58 1x97 h LYS 119 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1x97 h LYS 119 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1x97 h LYS 119 CO 0.00 0.44 0.40 -1.21 -0.57 0.00 0.00 179.45 178.51 1x97 s GLU 120 N -4.04 4.54 0.44 3.15 2.02 -1.26 -4.94 118.70 118.60 1x97 s GLU 120 Ca -0.02 1.45 0.22 0.00 0.02 0.00 0.00 54.97 56.64 1x97 s GLU 120 Cb 0.14 -3.46 1.00 0.00 0.10 0.00 0.00 34.13 31.91 1x97 s GLU 120 CO 0.73 -0.09 1.88 0.74 0.02 0.00 0.00 175.26 178.54 1x97 h PHE 121 N 6.83 0.00 -2.99 1.61 0.04 -1.96 -3.37 116.94 117.10 1x97 h PHE 121 Ca -0.40 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.77 1x97 h PHE 121 Cb 1.21 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.97 1x97 h PHE 121 CO 0.68 0.25 -0.76 -0.06 -0.60 0.00 0.00 178.31 177.82 1x97 s PHE 122 N -3.89 1.66 -0.32 -0.55 0.40 -1.26 -4.69 117.98 109.32 1x97 s PHE 122 Ca -0.01 -2.02 -0.29 0.00 -0.60 0.00 0.00 56.93 54.01 1x97 s PHE 122 Cb 0.12 -1.66 0.01 0.00 0.51 0.00 0.00 43.02 42.00 1x97 s PHE 122 CO 0.65 -0.83 1.24 -1.25 0.70 0.00 0.00 175.22 175.73 1x97 s PRO 123 N 0.97 3.93 -0.16 0.24 0.04 -1.26 -4.97 135.00 133.79 1x97 s PRO 123 Ca 0.15 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.37 1x97 s PRO 123 Cb -0.21 -3.85 0.01 0.00 0.04 0.00 0.00 34.50 30.49 1x97 s PRO 123 CO -0.10 -1.10 -0.21 -0.51 0.04 0.00 0.00 177.00 175.13 1x97 s LEU 124 N 4.24 2.10 0.40 -3.56 1.43 -1.25 0.18 118.68 122.22 1x97 s LEU 124 Ca 0.53 -0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 52.92 1x97 s LEU 124 Cb -0.15 -1.45 -0.07 0.00 0.03 0.00 0.00 46.19 44.55 1x97 s LEU 124 CO 0.22 0.04 -0.55 -0.90 0.23 0.00 0.00 176.35 175.39 1x97 n ASP 125 N 4.30 -1.23 0.29 2.29 5.68 -1.22 -4.69 116.55 121.96 1x97 n ASP 125 Ca -0.20 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.24 1x97 n ASP 125 Cb 0.51 -0.22 0.90 0.00 -1.14 0.00 0.00 41.12 41.17 1x97 n ASP 125 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1x97 h GLU 126 N -0.53 0.00 0.00 0.11 5.08 -2.02 -2.85 114.58 114.37 1x97 h GLU 126 Ca -0.14 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1x97 h GLU 126 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1x97 h GLU 126 CO 0.07 0.00 -1.24 0.43 -1.00 0.00 0.00 179.01 177.27 1x97 n SER 127 N -3.86 0.80 0.00 1.42 7.64 -1.26 -5.10 113.62 113.25 1x97 n SER 127 Ca -0.02 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1x97 n SER 127 Cb 0.11 0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1x97 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x97 n GLY 128 N 1.28 3.38 0.03 0.23 0.00 -1.08 -5.13 105.19 103.90 1x97 n GLY 128 Ca -0.05 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1x97 n GLY 128 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x97 n ASN 129 N 0.00 -0.12 -4.73 1.61 2.85 -1.26 -4.84 115.26 108.77 1x97 n ASN 129 Ca 0.00 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.06 1x97 n ASN 129 Cb 0.00 -0.06 -0.05 0.00 1.24 0.00 0.00 39.78 40.92 1x97 n ASN 129 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1x97 s VAL 130 N -0.00 4.39 -0.45 3.44 0.11 -1.20 -3.46 120.40 123.22 1x97 s VAL 130 Ca 0.00 2.03 -0.24 0.00 -2.93 0.00 0.00 61.98 60.83 1x97 s VAL 130 Cb 0.00 -4.29 0.03 0.00 -1.53 0.00 0.00 36.38 30.58 1x97 s VAL 130 CO 0.00 0.33 0.87 -0.69 -3.33 0.00 0.00 175.10 172.28 1x97 s VAL 131 N -0.16 4.55 0.73 2.04 1.01 0.49 -4.92 120.40 124.15 1x97 s VAL 131 Ca 0.47 0.65 -0.11 0.00 0.00 0.00 0.00 61.98 62.99 1x97 s VAL 131 Cb -0.24 -4.38 0.03 0.00 0.00 0.00 0.00 36.38 31.79 1x97 s VAL 131 CO 0.31 -0.76 1.08 -2.84 0.00 0.00 0.00 175.10 172.88 1x97 s PRO 132 N 3.54 2.63 0.13 2.72 0.02 -1.26 -1.28 135.00 141.50 1x97 s PRO 132 Ca 0.34 0.74 -0.03 0.00 0.02 0.00 0.00 61.00 62.07 1x97 s PRO 132 Cb -0.11 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 1x97 s PRO 132 CO 0.24 -1.26 0.34 -1.54 -0.33 0.00 0.00 177.00 174.45 1x97 s SER 133 N -3.95 6.44 0.00 2.53 1.04 -0.33 -3.91 113.70 115.52 1x97 s SER 133 Ca 0.59 0.47 0.23 0.00 0.48 0.00 0.00 55.95 57.72 1x97 s SER 133 Cb -0.13 -2.04 1.00 0.00 0.10 0.00 0.00 66.02 64.95 1x97 s SER 133 CO 0.54 0.06 1.69 -0.90 0.98 0.00 0.00 173.24 175.61 1x97 n ASP 134 N -0.01 1.07 -4.73 7.02 3.85 -1.26 -4.79 116.55 117.70 1x97 n ASP 134 Ca -0.03 -1.53 -0.42 0.00 -0.71 0.00 0.00 54.79 52.10 1x97 n ASP 134 Cb 0.52 -0.05 -0.03 0.00 -1.35 0.00 0.00 41.12 40.21 1x97 n ASP 134 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1x97 s THR 135 N -1.90 2.95 0.32 2.12 2.01 -1.26 -4.94 115.64 114.93 1x97 s THR 135 Ca 0.34 0.74 -0.28 0.00 0.31 0.00 0.00 61.69 62.80 1x97 s THR 135 Cb 0.17 -3.47 -0.09 0.00 0.01 0.00 0.00 72.50 69.12 1x97 s THR 135 CO 0.27 0.09 1.07 0.21 -0.69 0.00 0.00 174.62 175.57 1x97 s ASN 136 N 0.68 7.13 0.18 3.53 3.84 -1.26 -4.85 114.94 124.19 1x97 s ASN 136 Ca 0.62 2.16 -0.14 0.00 0.21 0.00 0.00 52.86 55.71 1x97 s ASN 136 Cb -0.40 -2.61 0.18 0.00 -0.55 0.00 0.00 41.25 37.87 1x97 s ASN 136 CO 0.37 -0.23 1.71 0.40 -2.79 0.00 0.00 177.10 176.55 1x97 h ILE 137 N 2.80 0.70 -0.51 -5.21 2.04 -1.92 -0.82 117.51 114.58 1x97 h ILE 137 Ca -0.47 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.38 1x97 h ILE 137 Cb 1.21 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1x97 h ILE 137 CO 0.65 0.03 0.34 -0.07 0.00 0.00 0.00 178.15 179.11 1x97 h LEU 138 N 0.19 0.42 -0.51 1.44 4.07 -1.97 0.44 115.31 119.38 1x97 h LEU 138 Ca 0.24 -0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.03 1x97 h LEU 138 Cb 0.33 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1x97 h LEU 138 CO -0.34 0.28 -0.61 0.44 -1.08 0.00 0.00 178.44 177.13 1x97 h ASP 139 N 0.48 0.53 -0.81 -0.43 3.45 -1.57 -1.40 116.42 116.67 1x97 h ASP 139 Ca 0.22 -0.30 -0.02 0.00 0.43 0.00 0.00 57.03 57.36 1x97 h ASP 139 Cb 0.25 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 38.83 1x97 h ASP 139 CO -0.06 1.01 0.43 0.74 -1.57 0.00 0.00 179.24 179.79 1x97 h THR 140 N 0.34 1.24 -0.47 0.35 2.02 0.64 -2.12 112.91 114.93 1x97 h THR 140 Ca -0.01 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1x97 h THR 140 Cb 1.15 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1x97 h THR 140 CO 0.11 0.28 0.24 -0.25 0.37 0.00 0.00 175.52 176.26 1x97 h TRP 141 N 1.13 0.66 -0.69 3.16 2.91 -0.44 -1.11 115.95 121.58 1x97 h TRP 141 Ca 0.28 -0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.32 1x97 h TRP 141 Cb 0.06 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 28.46 1x97 h TRP 141 CO 0.01 0.51 0.46 0.00 -1.03 0.00 0.00 178.44 178.39 1x97 h ALA 142 N 1.08 1.63 -0.34 2.65 0.00 -0.93 0.30 119.26 123.66 1x97 h ALA 142 Ca 0.16 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1x97 h ALA 142 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1x97 h ALA 142 CO -0.02 0.29 -0.23 0.00 0.00 0.00 0.00 179.25 179.29 1x97 h ALA 143 N 1.60 0.96 -0.70 0.00 0.00 -0.66 -2.13 119.26 118.34 1x97 h ALA 143 Ca 0.28 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1x97 h ALA 143 Cb 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1x97 h ALA 143 CO -0.08 0.60 0.29 0.52 0.00 0.00 0.00 179.25 180.59 1x97 h MET 144 N 0.58 1.04 -0.31 0.00 2.07 -0.20 -2.64 114.93 115.48 1x97 h MET 144 Ca 0.08 -0.18 -0.02 0.00 -2.07 0.00 0.00 59.70 57.51 1x97 h MET 144 Cb 0.71 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 30.25 1x97 h MET 144 CO 0.05 0.85 0.08 0.93 1.07 0.00 0.00 176.91 179.90 1x97 h GLU 145 N 1.00 0.44 -0.18 1.72 5.08 -0.51 -1.09 114.58 121.03 1x97 h GLU 145 Ca 0.24 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1x97 h GLU 145 Cb 0.19 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1x97 h GLU 145 CO -0.02 0.40 -0.03 1.49 -1.00 0.00 0.00 179.01 179.85 1x97 h GLU 146 N 0.43 0.26 -0.45 2.33 4.81 -1.03 -2.29 114.58 118.65 1x97 h GLU 146 Ca 0.11 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1x97 h GLU 146 Cb 0.16 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1x97 h GLU 146 CO -0.01 0.31 0.07 -0.07 -0.73 0.00 0.00 179.01 178.59 1x97 h LEU 147 N 0.26 0.65 -0.10 1.64 3.38 -1.09 -1.17 115.31 118.87 1x97 h LEU 147 Ca 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1x97 h LEU 147 Cb 0.23 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1x97 h LEU 147 CO 0.01 0.67 0.03 0.58 0.09 0.00 0.00 178.44 179.82 1x97 h VAL 148 N 0.67 1.18 0.00 1.22 2.07 -1.39 -1.67 116.25 118.33 1x97 h VAL 148 Ca 0.15 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1x97 h VAL 148 Cb 0.31 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1x97 h VAL 148 CO 0.00 0.16 0.00 0.47 0.02 0.00 0.00 177.57 178.22 1x97 n ASP 149 N -4.89 0.00 -0.62 0.57 8.00 -0.89 -1.78 116.55 116.93 1x97 n ASP 149 Ca -0.06 0.38 0.10 0.00 0.71 0.00 0.00 54.79 55.93 1x97 n ASP 149 Cb 0.14 -0.45 0.04 0.00 -0.02 0.00 0.00 41.12 40.83 1x97 n ASP 149 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x97 n GLU 150 N -1.45 1.64 -0.87 -1.24 4.71 -0.49 -4.98 120.64 117.96 1x97 n GLU 150 Ca 0.05 -1.29 0.00 0.00 -0.01 0.00 0.00 57.16 55.91 1x97 n GLU 150 Cb 0.18 -1.41 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 1x97 n GLU 150 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1x97 n GLY 151 N 1.27 0.68 0.17 0.62 0.00 -0.74 -4.92 105.19 102.27 1x97 n GLY 151 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 1x97 n GLY 151 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x97 h LEU 152 N 0.00 0.00 -7.82 0.99 -0.00 -1.54 -3.44 115.31 103.49 1x97 h LEU 152 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.68 1x97 h LEU 152 Cb 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 40.66 40.41 1x97 h LEU 152 CO 0.00 0.31 -0.68 0.68 -0.00 0.00 0.00 178.44 178.75 1x97 s VAL 153 N -3.06 0.05 -0.11 1.22 -7.23 -1.19 -1.30 120.40 108.79 1x97 s VAL 153 Ca 0.05 -0.42 0.15 0.00 -1.81 0.00 0.00 61.98 59.95 1x97 s VAL 153 Cb 0.07 -0.16 -0.10 0.00 0.56 0.00 0.00 36.38 36.75 1x97 s VAL 153 CO 0.72 -0.23 0.99 0.11 -0.31 0.00 0.00 175.10 176.38 1x97 h LYS 154 N 5.39 0.00 -3.63 4.82 1.79 -1.19 -3.37 116.57 120.38 1x97 h LYS 154 Ca -0.28 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.04 1x97 h LYS 154 Cb 1.21 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.65 1x97 h LYS 154 CO 0.45 0.41 -0.53 0.00 -1.08 0.00 0.00 179.45 178.70 1x97 s ALA 155 N -2.89 -0.22 0.15 3.86 0.00 -0.91 -5.00 121.76 116.75 1x97 s ALA 155 Ca -0.01 -0.26 0.09 0.00 0.00 0.00 0.00 51.96 51.78 1x97 s ALA 155 Cb 0.08 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1x97 s ALA 155 CO 0.80 -0.21 -0.21 0.96 0.00 0.00 0.00 175.76 177.10 1x97 s ILE 156 N -1.52 1.90 0.00 0.00 -4.36 -1.26 -1.43 121.20 114.53 1x97 s ILE 156 Ca -0.14 -1.81 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1x97 s ILE 156 Cb -0.07 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.82 1x97 s ILE 156 CO 0.01 -0.17 0.00 0.61 0.24 0.00 0.00 174.94 175.62 1x97 n GLY 157 N 0.58 2.79 3.25 6.27 0.00 -0.25 -1.01 105.19 116.83 1x97 n GLY 157 Ca -0.15 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 1x97 n GLY 157 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x97 s ILE 158 N -2.86 0.54 -0.14 -0.61 -4.36 -0.24 -0.91 121.20 112.62 1x97 s ILE 158 Ca 0.00 -1.98 -0.11 0.00 -0.26 0.00 0.00 60.65 58.30 1x97 s ILE 158 Cb 0.00 -2.26 0.04 0.00 1.25 0.00 0.00 42.46 41.49 1x97 s ILE 158 CO 0.00 -0.33 0.36 -0.55 0.24 0.00 0.00 174.94 174.65 1x97 s SER 159 N -3.19 -0.38 -1.43 4.36 0.15 -0.45 -1.23 113.70 111.52 1x97 s SER 159 Ca 0.28 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.66 1x97 s SER 159 Cb 0.07 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 1x97 s SER 159 CO 0.06 -0.14 0.00 0.59 1.20 0.00 0.00 173.24 174.96 1x97 n ASN 160 N 3.17 -4.78 -4.72 5.45 3.02 -0.55 -3.93 115.26 112.92 1x97 n ASN 160 Ca -0.15 0.08 -0.39 0.00 -0.03 0.00 0.00 54.58 54.09 1x97 n ASN 160 Cb 0.57 -3.85 -0.05 0.00 -0.61 0.00 0.00 39.78 35.84 1x97 n ASN 160 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1x97 s PHE 161 N -2.74 3.56 0.94 3.10 0.40 -1.26 -4.51 117.98 117.46 1x97 s PHE 161 Ca 0.00 1.12 -0.15 0.00 -0.60 0.00 0.00 56.93 57.30 1x97 s PHE 161 Cb 0.00 -2.71 0.18 0.00 0.51 0.00 0.00 43.02 41.00 1x97 s PHE 161 CO 0.00 0.12 1.29 0.54 0.70 0.00 0.00 175.22 177.87 1x97 s ASN 162 N 0.72 3.29 0.15 1.36 2.20 -1.26 -4.77 114.94 116.64 1x97 s ASN 162 Ca 0.33 0.38 -0.23 0.00 -0.94 0.00 0.00 52.86 52.40 1x97 s ASN 162 Cb -0.17 -0.51 0.03 0.00 -2.00 0.00 0.00 41.25 38.60 1x97 s ASN 162 CO 0.15 -2.63 1.62 -0.74 -2.94 0.00 0.00 177.10 172.56 1x97 h HIS 163 N -1.57 -0.77 0.00 1.54 -0.00 -1.74 0.27 115.15 112.87 1x97 h HIS 163 Ca -0.45 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 1x97 h HIS 163 Cb 1.25 0.38 0.00 0.00 -0.00 0.00 0.00 27.41 29.04 1x97 h HIS 163 CO -0.91 -0.36 0.00 1.28 -0.00 0.00 0.00 177.93 177.94 1x97 n LEU 164 N -5.40 0.00 -0.09 0.26 4.77 -1.26 -2.27 117.00 113.01 1x97 n LEU 164 Ca -0.01 0.40 -0.13 0.00 -0.03 0.00 0.00 56.01 56.24 1x97 n LEU 164 Cb 0.31 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 1x97 n LEU 164 CO 0.12 -0.29 -1.08 0.00 -1.33 0.00 0.00 177.39 174.81 1x97 n GLN 165 N -1.40 0.42 -0.07 3.23 6.02 -0.67 -3.01 117.38 121.90 1x97 n GLN 165 Ca 0.03 0.11 -0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1x97 n GLN 165 Cb 0.08 -1.31 -0.01 0.00 1.02 0.00 0.00 30.24 30.02 1x97 n GLN 165 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1x97 h VAL 166 N -0.12 0.74 -0.68 5.09 2.07 -0.80 -1.20 116.25 121.34 1x97 h VAL 166 Ca -0.40 -0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.24 1x97 h VAL 166 Cb 1.56 0.73 -0.09 0.00 -1.52 0.00 0.00 31.29 31.98 1x97 h VAL 166 CO -0.10 0.00 0.25 -0.08 0.02 0.00 0.00 177.57 177.66 1x97 h GLU 167 N 0.01 0.39 0.28 1.57 4.81 -1.64 0.43 114.58 120.43 1x97 h GLU 167 Ca 0.13 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1x97 h GLU 167 Cb 0.19 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1x97 h GLU 167 CO -0.27 0.26 -0.22 1.98 -0.73 0.00 0.00 179.01 180.03 1x97 h MET 168 N 0.41 -0.49 -0.22 1.92 4.05 -1.25 0.46 114.93 119.81 1x97 h MET 168 Ca 0.36 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.87 1x97 h MET 168 Cb 0.51 0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 31.36 1x97 h MET 168 CO -0.37 -0.33 -0.23 0.82 0.23 0.00 0.00 176.91 177.03 1x97 h ILE 169 N -0.51 0.41 0.00 1.77 1.08 -0.62 0.13 117.51 119.76 1x97 h ILE 169 Ca -0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1x97 h ILE 169 Cb 0.45 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1x97 h ILE 169 CO -0.02 0.00 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.36 1x97 h LEU 170 N -0.25 0.00 -2.02 1.44 3.38 0.21 -1.84 115.31 116.23 1x97 h LEU 170 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1x97 h LEU 170 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1x97 h LEU 170 CO -0.37 0.01 0.00 0.59 0.09 0.00 0.00 178.44 178.76 1x97 n ASN 171 N -3.18 2.68 -4.66 -0.43 3.02 0.12 -5.00 115.26 107.81 1x97 n ASN 171 Ca -0.02 -1.78 -0.49 0.00 -0.03 0.00 0.00 54.58 52.25 1x97 n ASN 171 Cb 0.13 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.14 1x97 n ASN 171 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1x97 n LYS 172 N 0.94 1.81 -1.70 3.52 4.81 0.30 -4.89 118.16 122.96 1x97 n LYS 172 Ca 0.12 0.66 -0.43 0.00 -0.87 0.00 0.00 58.31 57.78 1x97 n LYS 172 Cb 0.44 -2.41 -0.03 0.00 0.02 0.00 0.00 35.03 33.05 1x97 n LYS 172 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1x97 n PRO 173 N 4.30 2.54 -0.80 1.64 -0.02 -1.26 -1.95 135.00 139.45 1x97 n PRO 173 Ca 0.20 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 1x97 n PRO 173 Cb 0.25 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 1x97 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x97 n GLY 174 N 3.49 0.65 3.65 -1.23 0.00 -1.26 -4.95 105.19 105.55 1x97 n GLY 174 Ca 0.15 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.63 1x97 n GLY 174 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x97 n LEU 175 N 0.00 2.09 -0.13 0.99 7.94 -0.82 -4.91 117.00 122.16 1x97 n LEU 175 Ca 0.00 1.09 -0.23 0.00 -1.11 0.00 0.00 56.01 55.76 1x97 n LEU 175 Cb 0.00 -1.18 -0.11 0.00 0.53 0.00 0.00 43.42 42.66 1x97 n LEU 175 CO 0.00 -0.70 -1.39 1.17 -1.11 0.00 0.00 177.39 175.35 1x97 n LYS 176 N 4.04 0.62 -4.31 1.96 4.81 -1.26 -4.95 118.16 119.07 1x97 n LYS 176 Ca 0.22 0.20 -0.26 0.00 -0.87 0.00 0.00 58.31 57.60 1x97 n LYS 176 Cb 0.17 -1.51 -0.17 0.00 0.02 0.00 0.00 35.03 33.54 1x97 n LYS 176 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1x97 s TYR 177 N -2.51 1.54 0.66 5.64 2.02 -1.26 -5.13 117.35 118.31 1x97 s TYR 177 Ca -0.37 -0.67 -0.16 0.00 -0.37 0.00 0.00 57.07 55.50 1x97 s TYR 177 Cb 0.12 -1.18 -0.00 0.00 -0.40 0.00 0.00 41.96 40.49 1x97 s TYR 177 CO 0.55 -0.40 1.18 0.15 -1.57 0.00 0.00 175.55 175.46 1x97 s LYS 178 N 1.10 2.65 0.29 -0.62 1.02 -1.26 -4.99 119.74 117.93 1x97 s LYS 178 Ca -0.06 1.67 -0.30 0.00 0.02 0.00 0.00 55.97 57.31 1x97 s LYS 178 Cb -0.14 -1.90 -0.11 0.00 -0.52 0.00 0.00 37.83 35.15 1x97 s LYS 178 CO -0.02 -1.42 1.49 -1.25 -0.92 0.00 0.00 175.35 173.23 1x97 s PRO 179 N -3.74 4.20 0.07 -1.68 0.04 -1.26 -4.85 135.00 127.79 1x97 s PRO 179 Ca 0.73 2.43 0.12 0.00 0.04 0.00 0.00 61.00 64.32 1x97 s PRO 179 Cb -0.27 -3.05 -0.17 0.00 0.04 0.00 0.00 34.50 31.05 1x97 s PRO 179 CO 0.39 -0.49 1.00 0.00 0.04 0.00 0.00 177.00 177.94 1x97 h ALA 180 N 4.50 0.60 -3.11 8.56 0.00 -1.44 -3.43 119.26 124.94 1x97 h ALA 180 Ca -0.47 -1.04 -0.18 0.00 0.00 0.00 0.00 54.91 53.22 1x97 h ALA 180 Cb 1.22 0.17 -0.23 0.00 0.00 0.00 0.00 17.79 18.95 1x97 h ALA 180 CO 0.75 1.23 -0.59 0.08 0.00 0.00 0.00 179.25 180.72 1x97 s VAL 181 N -2.74 0.06 -0.23 0.00 1.01 -1.26 -1.51 120.40 115.73 1x97 s VAL 181 Ca -0.01 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1x97 s VAL 181 Cb 0.09 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 36.24 1x97 s VAL 181 CO 0.81 -0.26 -0.15 0.21 0.00 0.00 0.00 175.10 175.71 1x97 s ASN 182 N -0.84 3.90 -0.27 3.32 2.47 -0.41 -1.08 114.94 122.03 1x97 s ASN 182 Ca -0.09 -1.09 -0.17 0.00 0.42 0.00 0.00 52.86 51.93 1x97 s ASN 182 Cb -0.05 -1.52 -0.03 0.00 -1.45 0.00 0.00 41.25 38.20 1x97 s ASN 182 CO 0.00 -0.11 0.46 -1.58 -3.72 0.00 0.00 177.10 172.15 1x97 s GLN 183 N 1.18 4.00 0.08 0.43 0.74 -0.37 -2.15 119.66 123.58 1x97 s GLN 183 Ca -0.03 0.16 0.02 0.00 0.05 0.00 0.00 55.36 55.55 1x97 s GLN 183 Cb -0.17 -3.67 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 1x97 s GLN 183 CO -0.08 -0.35 -0.06 0.96 -0.55 0.00 0.00 175.29 175.21 1x97 s ILE 184 N 2.22 0.62 0.20 -2.34 -4.36 -0.02 -1.48 121.20 116.04 1x97 s ILE 184 Ca 0.18 -1.79 -0.30 0.00 -0.26 0.00 0.00 60.65 58.47 1x97 s ILE 184 Cb -0.16 -1.50 -0.09 0.00 1.25 0.00 0.00 42.46 41.96 1x97 s ILE 184 CO 0.10 -0.81 1.43 -0.70 0.24 0.00 0.00 174.94 175.19 1x97 s GLU 185 N -3.51 4.29 -0.26 0.37 2.12 -1.26 -0.57 118.70 119.88 1x97 s GLU 185 Ca 0.08 2.23 -0.16 0.00 0.36 0.00 0.00 54.97 57.47 1x97 s GLU 185 Cb 0.03 -3.15 0.07 0.00 0.26 0.00 0.00 34.13 31.34 1x97 s GLU 185 CO -0.05 -0.42 0.64 0.00 -0.54 0.00 0.00 175.26 174.90 1x97 s HIS 187 N 1.34 -0.02 0.55 0.00 -3.43 -0.84 -4.23 115.29 108.66 1x97 s HIS 187 Ca -0.08 -0.26 0.40 0.00 -0.80 0.00 0.00 55.06 54.32 1x97 s HIS 187 Cb -0.05 0.63 2.16 0.00 -1.43 0.00 0.00 32.58 33.88 1x97 s HIS 187 CO -0.15 -0.68 2.21 -1.35 -2.00 0.00 0.00 174.74 172.78 1x97 h PRO 188 N 2.00 0.00 -0.01 -0.38 0.11 -1.87 -0.87 132.00 130.98 1x97 h PRO 188 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1x97 h PRO 188 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1x97 h PRO 188 CO 0.31 0.00 -0.07 0.66 -0.21 0.00 0.00 178.00 178.69 1x97 n TYR 189 N -2.93 0.00 -3.01 0.65 4.01 -1.26 -1.23 117.16 113.39 1x97 n TYR 189 Ca -0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 1x97 n TYR 189 Cb 0.11 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 1x97 n TYR 189 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1x97 s LEU 190 N -2.13 -0.39 0.28 7.72 2.96 -0.34 -1.37 118.68 125.41 1x97 s LEU 190 Ca 0.34 -2.20 0.24 0.00 -0.22 0.00 0.00 54.13 52.28 1x97 s LEU 190 Cb 0.20 1.02 0.37 0.00 0.50 0.00 0.00 46.19 48.29 1x97 s LEU 190 CO 0.38 -0.10 1.47 0.71 -1.32 0.00 0.00 176.35 177.49 1x97 h THR 191 N 4.87 0.00 -6.25 3.68 1.35 -1.77 -2.23 112.91 112.56 1x97 h THR 191 Ca 0.14 -0.79 -0.47 0.00 -0.55 0.00 0.00 66.41 64.73 1x97 h THR 191 Cb 1.04 1.60 -0.03 0.00 -1.73 0.00 0.00 68.15 69.03 1x97 h THR 191 CO 0.15 0.00 -0.75 0.00 -0.25 0.00 0.00 175.52 174.67 1x97 n GLN 192 N -2.64 -5.66 -0.26 4.72 1.13 -1.26 -4.85 117.38 108.56 1x97 n GLN 192 Ca 0.03 0.61 -0.06 0.00 -1.94 0.00 0.00 57.00 55.65 1x97 n GLN 192 Cb 0.50 -5.52 0.05 0.00 0.11 0.00 0.00 30.24 25.38 1x97 n GLN 192 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 1x97 h GLU 193 N -2.11 0.99 0.31 -1.09 9.09 -1.99 -0.91 114.58 118.87 1x97 h GLU 193 Ca -0.58 -0.11 -0.01 0.00 0.05 0.00 0.00 59.36 58.71 1x97 h GLU 193 Cb 1.37 -0.20 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1x97 h GLU 193 CO 0.66 0.73 -0.15 0.87 0.05 0.00 0.00 179.01 181.18 1x97 h LYS 194 N 0.98 -0.40 -0.47 1.06 1.57 -2.00 -1.63 116.57 115.68 1x97 h LYS 194 Ca 0.25 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.94 1x97 h LYS 194 Cb 0.03 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1x97 h LYS 194 CO -0.04 -0.22 -0.17 1.25 -0.57 0.00 0.00 179.45 179.70 1x97 h LEU 195 N -0.48 0.91 -0.55 2.94 7.12 -1.91 -1.92 115.31 121.43 1x97 h LEU 195 Ca -0.04 -0.32 -0.00 0.00 0.13 0.00 0.00 57.88 57.65 1x97 h LEU 195 Cb 0.36 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.22 1x97 h LEU 195 CO 0.07 1.07 0.33 0.40 -0.13 0.00 0.00 178.44 180.18 1x97 h ILE 196 N 0.80 1.16 -0.60 4.05 2.04 -1.15 -1.48 117.51 122.34 1x97 h ILE 196 Ca 0.12 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1x97 h ILE 196 Cb 0.71 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1x97 h ILE 196 CO 0.05 0.17 0.39 1.56 0.00 0.00 0.00 178.15 180.33 1x97 h GLN 197 N 0.74 0.78 0.12 2.37 4.20 -1.09 0.47 115.11 122.70 1x97 h GLN 197 Ca 0.20 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1x97 h GLN 197 Cb -0.01 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1x97 h GLN 197 CO -0.04 0.52 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.66 1x97 h TYR 198 N 0.80 -0.15 -0.26 2.96 3.20 -1.21 -0.66 116.97 121.65 1x97 h TYR 198 Ca 0.22 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 1x97 h TYR 198 Cb -0.08 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1x97 h TYR 198 CO -0.03 -0.06 0.15 0.00 -1.64 0.00 0.00 178.16 176.58 1x97 h GLN 200 N 0.32 0.78 0.00 0.00 1.08 -0.84 -1.36 115.11 115.10 1x97 h GLN 200 Ca 0.09 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1x97 h GLN 200 Cb 0.03 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.29 1x97 h GLN 200 CO -0.02 0.52 -0.04 0.66 -0.95 0.00 0.00 178.83 179.00 1x97 h SER 201 N 0.80 0.00 -0.42 1.46 4.64 -0.70 -1.34 113.55 117.98 1x97 h SER 201 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1x97 h SER 201 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1x97 h SER 201 CO -0.05 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.24 1x97 n LYS 202 N -3.45 2.46 -0.92 4.77 4.76 -0.61 -4.95 118.16 120.21 1x97 n LYS 202 Ca -0.02 -2.26 0.00 0.00 -2.87 0.00 0.00 58.31 53.16 1x97 n LYS 202 Cb 0.16 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1x97 n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x97 n GLY 203 N 1.36 0.58 3.64 0.72 0.00 -0.51 -5.02 105.19 105.96 1x97 n GLY 203 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1x97 n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x97 s ILE 204 N -2.19 5.05 0.16 -0.61 1.01 -0.65 -4.36 121.20 119.61 1x97 s ILE 204 Ca 0.00 1.01 -0.28 0.00 0.00 0.00 0.00 60.65 61.39 1x97 s ILE 204 Cb 0.00 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.52 1x97 s ILE 204 CO 0.00 0.10 0.86 -0.69 0.00 0.00 0.00 174.94 175.21 1x97 s VAL 205 N 2.11 4.36 -0.17 2.92 1.01 -0.57 -3.34 120.40 126.71 1x97 s VAL 205 Ca 0.24 1.88 -0.08 0.00 0.00 0.00 0.00 61.98 64.02 1x97 s VAL 205 Cb -0.16 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1x97 s VAL 205 CO 0.09 0.45 0.09 -0.69 0.00 0.00 0.00 175.10 175.05 1x97 s VAL 206 N -0.78 5.09 -0.18 2.92 1.01 -1.26 -1.29 120.40 125.91 1x97 s VAL 206 Ca 0.40 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 1x97 s VAL 206 Cb -0.24 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1x97 s VAL 206 CO 0.28 0.48 0.06 -0.89 0.00 0.00 0.00 175.10 175.04 1x97 s THR 207 N 0.10 4.80 -0.29 3.92 2.01 -0.91 -1.23 115.64 124.04 1x97 s THR 207 Ca 0.07 -0.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.85 1x97 s THR 207 Cb -0.12 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1x97 s THR 207 CO -0.00 0.47 0.56 0.00 -0.69 0.00 0.00 174.62 174.96 1x97 s ALA 208 N 0.30 3.56 0.41 7.40 0.00 0.64 -0.84 121.76 133.25 1x97 s ALA 208 Ca 0.04 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.42 1x97 s ALA 208 Cb -0.12 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 1x97 s ALA 208 CO 0.00 -0.91 0.46 1.52 0.00 0.00 0.00 175.76 176.83 1x97 s TYR 209 N 2.43 2.76 -1.45 0.00 -0.85 0.26 -2.83 117.35 117.67 1x97 s TYR 209 Ca 0.22 -0.44 -0.07 0.00 -0.52 0.00 0.00 57.07 56.26 1x97 s TYR 209 Cb -0.15 -2.24 0.01 0.00 0.38 0.00 0.00 41.96 39.95 1x97 s TYR 209 CO 0.10 -0.23 0.23 0.43 -1.52 0.00 0.00 175.55 174.56 1x97 n SER 210 N -1.67 -0.38 0.27 -0.18 7.64 -1.26 -1.96 113.62 116.08 1x97 n SER 210 Ca 0.05 -1.22 0.16 0.00 1.01 0.00 0.00 58.87 58.87 1x97 n SER 210 Cb 0.61 -1.94 0.69 0.00 -1.01 0.00 0.00 64.21 62.55 1x97 n SER 210 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1x97 h PRO 211 N -1.95 0.00 -0.32 1.43 0.13 -1.80 -0.49 132.00 129.00 1x97 h PRO 211 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1x97 h PRO 211 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1x97 h PRO 211 CO 0.65 0.06 0.00 1.28 -0.23 0.00 0.00 178.00 179.76 1x97 n LEU 212 N -3.21 2.67 -0.02 1.56 4.77 -1.26 -4.81 117.00 116.70 1x97 n LEU 212 Ca -0.00 -1.16 -0.00 0.00 -0.03 0.00 0.00 56.01 54.81 1x97 n LEU 212 Cb 0.30 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1x97 n LEU 212 CO 0.28 0.58 -0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1x97 n GLY 213 N 1.34 0.46 3.85 -0.72 0.00 -0.19 -4.40 105.19 105.52 1x97 n GLY 213 Ca 0.18 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1x97 n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x97 n SER 214 N 0.70 -3.64 0.30 1.61 2.88 -1.26 -4.83 113.62 109.38 1x97 n SER 214 Ca -0.00 -1.08 0.17 0.00 -1.33 0.00 0.00 58.87 56.63 1x97 n SER 214 Cb 0.02 -2.91 0.92 0.00 -0.75 0.00 0.00 64.21 61.49 1x97 n SER 214 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1x97 h PRO 215 N -2.03 0.00 -0.63 -1.46 0.13 -1.98 -0.30 132.00 125.73 1x97 h PRO 215 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1x97 h PRO 215 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1x97 h PRO 215 CO 0.53 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.90 1x97 n ASP 216 N -2.81 3.45 -4.74 1.44 5.75 -1.26 -4.97 116.55 113.41 1x97 n ASP 216 Ca -0.02 -2.04 -0.41 0.00 -0.01 0.00 0.00 54.79 52.31 1x97 n ASP 216 Cb 0.20 -0.43 0.01 0.00 -1.03 0.00 0.00 41.12 39.87 1x97 n ASP 216 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1x97 n ARG 217 N 1.30 2.26 0.28 0.11 1.85 -0.12 -4.87 116.66 117.47 1x97 n ARG 217 Ca 0.21 0.80 0.13 0.00 -1.00 0.00 0.00 57.85 57.99 1x97 n ARG 217 Cb 0.56 -2.52 0.81 0.00 -1.05 0.00 0.00 32.46 30.25 1x97 n ARG 217 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 1x97 h PRO 218 N 2.46 0.00 -0.43 2.89 0.11 -1.94 -3.05 132.00 132.04 1x97 h PRO 218 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1x97 h PRO 218 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1x97 h PRO 218 CO 0.62 0.06 0.00 -2.67 -0.21 0.00 0.00 178.00 175.80 1x97 n TRP 219 N -3.80 0.98 -1.67 0.65 2.14 -1.26 -5.02 117.44 109.46 1x97 n TRP 219 Ca -0.02 -0.66 -0.39 0.00 2.07 0.00 0.00 57.50 58.49 1x97 n TRP 219 Cb 0.16 -0.19 0.03 0.00 -0.81 0.00 0.00 31.31 30.49 1x97 n TRP 219 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1x97 n ALA 220 N 0.41 0.79 -2.42 -1.67 0.00 -1.16 -5.02 120.51 111.45 1x97 n ALA 220 Ca 0.20 0.14 -0.28 0.00 0.00 0.00 0.00 53.44 53.50 1x97 n ALA 220 Cb 0.74 -2.20 -0.15 0.00 0.00 0.00 0.00 19.45 17.84 1x97 n ALA 220 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1x97 s LYS 221 N -2.52 1.60 0.46 0.00 1.02 -1.26 -5.04 119.74 114.00 1x97 s LYS 221 Ca 0.69 -0.99 0.27 0.00 0.02 0.00 0.00 55.97 55.96 1x97 s LYS 221 Cb -0.46 -1.72 1.32 0.00 -0.52 0.00 0.00 37.83 36.45 1x97 s LYS 221 CO 0.52 0.45 1.77 -1.35 -0.92 0.00 0.00 175.35 175.82 1x97 h PRO 222 N 4.93 0.20 -0.06 -1.68 0.11 -2.01 -0.34 132.00 133.14 1x97 h PRO 222 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1x97 h PRO 222 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1x97 h PRO 222 CO 0.44 0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 177.51 1x97 n GLU 223 N -4.45 1.49 -1.78 1.05 0.00 -1.26 -4.89 120.64 110.80 1x97 n GLU 223 Ca 0.26 -0.73 -0.32 0.00 0.00 0.00 0.00 57.16 56.37 1x97 n GLU 223 Cb 1.08 -1.43 0.04 0.00 0.00 0.00 0.00 31.44 31.13 1x97 n GLU 223 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1x97 s ASP 224 N -1.79 5.37 0.87 -1.84 -0.00 -0.14 -5.02 116.67 114.12 1x97 s ASP 224 Ca 0.36 1.83 -0.11 0.00 -0.00 0.00 0.00 52.55 54.63 1x97 s ASP 224 Cb 0.19 -2.53 0.11 0.00 -0.00 0.00 0.00 42.92 40.69 1x97 s ASP 224 CO 0.30 -1.45 1.10 -2.16 -0.00 0.00 0.00 175.17 172.96 1x97 s PRO 225 N -4.36 1.46 -0.27 8.23 0.04 -1.26 -5.00 135.00 133.84 1x97 s PRO 225 Ca 0.63 1.18 -0.04 0.00 0.04 0.00 0.00 61.00 62.81 1x97 s PRO 225 Cb -0.17 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 32.66 1x97 s PRO 225 CO 0.44 -2.20 0.12 0.45 0.04 0.00 0.00 177.00 175.85 1x97 s SER 226 N -3.14 3.36 0.27 6.66 0.15 -1.26 -5.04 113.70 114.72 1x97 s SER 226 Ca 0.64 -1.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.09 1x97 s SER 226 Cb -0.19 -0.36 0.48 0.00 -1.71 0.00 0.00 66.02 64.24 1x97 s SER 226 CO 0.57 -0.42 1.85 -0.07 1.20 0.00 0.00 173.24 176.37 1x97 h LEU 227 N 8.40 0.96 -1.28 3.45 3.38 -1.93 -1.75 115.31 126.53 1x97 h LEU 227 Ca -0.19 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1x97 h LEU 227 Cb 1.03 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1x97 h LEU 227 CO 0.42 0.55 -0.04 -0.07 0.09 0.00 0.00 178.44 179.39 1x97 h LEU 228 N 1.06 0.00 -1.97 1.67 3.38 -1.97 -2.56 115.31 114.91 1x97 h LEU 228 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1x97 h LEU 228 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1x97 h LEU 228 CO -0.23 0.04 0.00 -0.62 0.09 0.00 0.00 178.44 177.73 1x97 n GLU 229 N -3.15 1.97 -2.03 1.13 1.02 -0.73 -4.86 120.64 113.98 1x97 n GLU 229 Ca 0.01 -1.85 -0.43 0.00 -0.02 0.00 0.00 57.16 54.87 1x97 n GLU 229 Cb 0.35 -1.40 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 1x97 n GLU 229 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1x97 s ASP 230 N -1.54 6.50 0.56 1.62 -1.08 -0.77 -4.86 116.67 117.10 1x97 s ASP 230 Ca 0.27 1.98 0.25 0.00 -0.52 0.00 0.00 52.55 54.53 1x97 s ASP 230 Cb 0.18 -2.53 1.55 0.00 -1.46 0.00 0.00 42.92 40.66 1x97 s ASP 230 CO 0.26 -1.10 2.15 1.55 0.52 0.00 0.00 175.17 178.54 1x97 h PRO 231 N 10.25 0.00 -0.07 4.34 0.13 -1.91 -0.70 132.00 144.04 1x97 h PRO 231 Ca -0.37 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.59 1x97 h PRO 231 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1x97 h PRO 231 CO 0.97 0.00 -0.70 0.00 -0.23 0.00 0.00 178.00 178.04 1x97 h ARG 232 N 0.00 0.32 0.19 0.86 3.08 -1.97 -1.32 114.38 115.54 1x97 h ARG 232 Ca 0.06 -0.26 -0.32 0.00 0.07 0.00 0.00 59.98 59.53 1x97 h ARG 232 Cb 0.27 0.05 0.03 0.00 0.08 0.00 0.00 29.97 30.41 1x97 h ARG 232 CO -0.00 0.90 -1.37 0.82 -1.07 0.00 0.00 179.97 179.25 1x97 h ILE 233 N 0.22 1.29 -0.28 2.04 2.04 -1.66 -2.96 117.51 118.21 1x97 h ILE 233 Ca -0.02 -2.61 0.01 0.00 1.00 0.00 0.00 64.86 63.24 1x97 h ILE 233 Cb 1.26 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 40.20 1x97 h ILE 233 CO 0.11 0.79 0.18 0.11 0.00 0.00 0.00 178.15 179.34 1x97 h LYS 234 N 0.20 0.32 -0.61 2.37 1.57 -1.08 -1.02 116.57 118.32 1x97 h LYS 234 Ca -0.22 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1x97 h LYS 234 Cb 2.05 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 34.26 1x97 h LYS 234 CO 0.26 0.21 0.19 0.00 -0.57 0.00 0.00 179.45 179.54 1x97 h ALA 235 N 1.83 0.80 -0.40 3.86 0.00 -1.19 0.25 119.26 124.42 1x97 h ALA 235 Ca 0.11 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1x97 h ALA 235 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1x97 h ALA 235 CO -0.02 0.46 -0.12 0.82 0.00 0.00 0.00 179.25 180.39 1x97 h ILE 236 N 0.86 1.28 -0.46 0.00 2.04 -1.23 -1.27 117.51 118.74 1x97 h ILE 236 Ca 0.20 -1.22 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1x97 h ILE 236 Cb 0.28 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1x97 h ILE 236 CO -0.01 0.41 0.30 0.00 0.00 0.00 0.00 178.15 178.85 1x97 h ALA 237 N 0.84 0.58 -0.95 1.87 0.00 -0.92 -2.34 119.26 118.33 1x97 h ALA 237 Ca 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1x97 h ALA 237 Cb 0.65 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1x97 h ALA 237 CO 0.04 0.02 0.63 0.00 0.00 0.00 0.00 179.25 179.95 1x97 h ALA 238 N 1.17 1.22 -1.00 0.00 0.00 -0.27 -0.65 119.26 119.74 1x97 h ALA 238 Ca 0.17 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1x97 h ALA 238 Cb -0.06 -0.38 -0.06 0.00 0.00 0.00 0.00 17.79 17.29 1x97 h ALA 238 CO -0.04 0.59 0.65 -0.22 0.00 0.00 0.00 179.25 180.23 1x97 h LYS 239 N 1.28 1.19 -0.37 0.00 3.64 -0.85 -1.45 116.57 120.01 1x97 h LYS 239 Ca 0.35 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1x97 h LYS 239 Cb -0.12 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.43 1x97 h LYS 239 CO -0.08 0.79 0.00 0.72 -2.27 0.00 0.00 179.45 178.60 1x97 n HIS 240 N -4.46 0.49 -3.87 1.91 8.25 -0.74 -4.94 115.22 111.86 1x97 n HIS 240 Ca 0.14 -0.24 -0.29 0.00 -0.26 0.00 0.00 57.72 57.07 1x97 n HIS 240 Cb 0.13 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.27 1x97 n HIS 240 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1x97 n ASN 241 N 0.83 -4.40 -4.51 0.41 5.03 -0.33 -4.99 115.26 107.30 1x97 n ASN 241 Ca 0.17 -0.77 -0.24 0.00 0.87 0.00 0.00 54.58 54.61 1x97 n ASN 241 Cb 0.41 -3.98 -0.11 0.00 -1.02 0.00 0.00 39.78 35.09 1x97 n ASN 241 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1x97 s LYS 242 N -6.52 1.76 0.67 3.52 -0.14 -0.75 -5.04 119.74 113.24 1x97 s LYS 242 Ca 0.57 -1.98 -0.11 0.00 -1.36 0.00 0.00 55.97 53.08 1x97 s LYS 242 Cb -0.28 -1.14 -0.01 0.00 -1.68 0.00 0.00 37.83 34.72 1x97 s LYS 242 CO 0.82 -0.14 1.06 0.95 -0.76 0.00 0.00 175.35 177.29 1x97 s THR 243 N -3.09 3.96 0.18 2.17 -4.23 -1.26 -4.17 115.64 109.19 1x97 s THR 243 Ca 0.36 0.61 -0.14 0.00 -1.18 0.00 0.00 61.69 61.35 1x97 s THR 243 Cb 0.09 -3.63 0.07 0.00 1.34 0.00 0.00 72.50 70.37 1x97 s THR 243 CO 0.16 -0.82 1.81 0.71 -0.54 0.00 0.00 174.62 175.94 1x97 h THR 244 N -0.51 1.04 -0.59 3.99 1.35 -1.91 -1.81 112.91 114.47 1x97 h THR 244 Ca -0.45 -0.20 0.06 0.00 -0.55 0.00 0.00 66.41 65.27 1x97 h THR 244 Cb 1.23 0.40 -0.05 0.00 -1.73 0.00 0.00 68.15 68.00 1x97 h THR 244 CO 0.63 0.11 0.31 0.00 -0.25 0.00 0.00 175.52 176.31 1x97 h ALA 245 N 1.23 0.77 -0.78 6.62 0.00 -1.93 -0.83 119.26 124.34 1x97 h ALA 245 Ca 0.21 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1x97 h ALA 245 Cb 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1x97 h ALA 245 CO -0.10 -0.04 0.52 1.96 0.00 0.00 0.00 179.25 181.59 1x97 h GLN 246 N 0.58 1.00 -0.54 0.00 4.20 -1.77 -0.69 115.11 117.88 1x97 h GLN 246 Ca 0.27 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 1x97 h GLN 246 Cb 0.18 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1x97 h GLN 246 CO -0.18 0.66 -0.02 0.28 -0.67 0.00 0.00 178.83 178.90 1x97 h VAL 247 N 1.03 1.27 0.00 -0.54 2.07 -0.49 -0.74 116.25 118.84 1x97 h VAL 247 Ca 0.29 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1x97 h VAL 247 Cb -0.08 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1x97 h VAL 247 CO -0.07 0.41 -0.08 -0.07 0.02 0.00 0.00 177.57 177.78 1x97 h LEU 248 N 0.84 0.00 0.16 2.57 3.38 -0.48 -0.62 115.31 121.16 1x97 h LEU 248 Ca 0.15 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.78 1x97 h LEU 248 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1x97 h LEU 248 CO 0.03 0.08 -1.72 0.40 0.09 0.00 0.00 178.44 177.32 1x97 h ILE 249 N 0.00 0.90 -0.36 1.22 2.04 -0.97 -3.36 117.51 116.98 1x97 h ILE 249 Ca -0.00 -2.46 -0.06 0.00 1.00 0.00 0.00 64.86 63.34 1x97 h ILE 249 Cb 0.50 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 1x97 h ILE 249 CO 0.01 0.83 -0.04 -0.09 0.00 0.00 0.00 178.15 178.86 1x97 h ARG 250 N 0.00 0.59 0.16 2.37 9.65 -0.89 -3.22 114.38 123.04 1x97 h ARG 250 Ca -0.35 -0.15 0.01 0.00 -1.10 0.00 0.00 59.98 58.40 1x97 h ARG 250 Cb 2.01 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 30.47 1x97 h ARG 250 CO 0.14 0.64 -0.46 0.35 2.80 0.00 0.00 179.97 183.44 1x97 h PHE 251 N 0.55 -1.30 -0.05 2.20 3.57 -1.25 -2.09 116.94 118.57 1x97 h PHE 251 Ca 0.11 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1x97 h PHE 251 Cb 0.41 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1x97 h PHE 251 CO 0.02 -0.56 -0.20 -1.00 -2.23 0.00 0.00 178.31 174.34 1x97 h PRO 252 N -0.72 0.08 -0.78 6.41 0.13 -1.74 -2.34 132.00 133.03 1x97 h PRO 252 Ca 0.01 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 65.20 1x97 h PRO 252 Cb 0.73 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.79 1x97 h PRO 252 CO -0.24 0.28 0.51 0.52 -0.23 0.00 0.00 178.00 178.85 1x97 h MET 253 N 0.08 0.73 -0.01 0.86 2.86 -1.41 -0.35 114.93 117.69 1x97 h MET 253 Ca 0.01 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1x97 h MET 253 Cb 0.40 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1x97 h MET 253 CO 0.03 0.48 -0.02 1.04 1.06 0.00 0.00 176.91 179.49 1x97 n GLN 254 N -4.50 1.15 -0.39 1.72 6.02 -0.89 -2.32 117.38 118.17 1x97 n GLN 254 Ca 0.13 -0.38 0.10 0.00 -0.01 0.00 0.00 57.00 56.83 1x97 n GLN 254 Cb 0.30 -1.49 0.29 0.00 1.02 0.00 0.00 30.24 30.36 1x97 n GLN 254 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1x97 n ARG 255 N -0.59 2.75 -2.69 -1.09 1.74 -0.23 -4.93 116.66 111.63 1x97 n ARG 255 Ca 0.20 -2.39 -0.19 0.00 -0.77 0.00 0.00 57.85 54.71 1x97 n ARG 255 Cb 0.23 -1.59 0.02 0.00 -1.02 0.00 0.00 32.46 30.10 1x97 n ARG 255 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1x97 n ASN 256 N 1.28 -5.44 -4.96 0.55 5.15 -0.98 -5.03 115.26 105.83 1x97 n ASN 256 Ca 0.22 -0.16 -0.23 0.00 -0.60 0.00 0.00 54.58 53.82 1x97 n ASN 256 Cb 0.62 -4.37 -0.02 0.00 -0.53 0.00 0.00 39.78 35.48 1x97 n ASN 256 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x97 s LEU 257 N -5.61 4.24 0.21 1.20 1.43 -0.71 -4.71 118.68 114.74 1x97 s LEU 257 Ca 0.16 0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 1x97 s LEU 257 Cb -0.07 -3.00 -0.07 0.00 0.03 0.00 0.00 46.19 43.07 1x97 s LEU 257 CO 0.20 -0.12 0.56 -0.69 0.23 0.00 0.00 176.35 176.53 1x97 s VAL 258 N -2.04 4.90 0.01 -1.59 1.01 -0.37 -4.21 120.40 118.12 1x97 s VAL 258 Ca 0.36 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.94 1x97 s VAL 258 Cb -0.09 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1x97 s VAL 258 CO 0.31 0.01 -0.03 0.54 0.00 0.00 0.00 175.10 175.93 1x97 s VAL 259 N -1.73 0.21 -0.47 2.92 0.11 0.82 -0.26 120.40 122.01 1x97 s VAL 259 Ca 0.45 -0.39 0.08 0.00 -2.93 0.00 0.00 61.98 59.18 1x97 s VAL 259 Cb -0.12 -0.23 0.27 0.00 -1.53 0.00 0.00 36.38 34.77 1x97 s VAL 259 CO 0.20 -0.12 0.64 2.30 -3.33 0.00 0.00 175.10 174.79 1x97 n ILE 260 N 2.52 0.49 -1.82 7.04 -5.35 -1.13 -1.06 119.36 120.05 1x97 n ILE 260 Ca -0.16 -4.54 -0.41 0.00 -0.27 0.00 0.00 62.75 57.37 1x97 n ILE 260 Cb 0.58 -1.71 -0.01 0.00 -1.74 0.00 0.00 39.64 36.75 1x97 n ILE 260 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1x97 s PRO 261 N -1.88 4.14 -0.07 6.28 0.04 -1.22 -3.37 135.00 138.92 1x97 s PRO 261 Ca 0.38 2.54 -0.13 0.00 0.04 0.00 0.00 61.00 63.83 1x97 s PRO 261 Cb 0.20 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.68 1x97 s PRO 261 CO -0.08 -0.55 0.32 0.21 0.04 0.00 0.00 177.00 176.94 1x97 s LYS 262 N -1.25 3.92 -0.01 4.56 2.36 -1.26 -1.46 119.74 126.59 1x97 s LYS 262 Ca 0.58 0.21 -0.20 0.00 -2.55 0.00 0.00 55.97 54.00 1x97 s LYS 262 Cb -0.46 -3.28 0.04 0.00 -1.05 0.00 0.00 37.83 33.08 1x97 s LYS 262 CO 0.55 0.57 0.44 0.45 1.55 0.00 0.00 175.35 178.91 1x97 s SER 263 N -0.59 -0.35 0.00 1.43 0.15 -1.26 -4.95 113.70 108.14 1x97 s SER 263 Ca 0.20 0.26 0.04 0.00 0.70 0.00 0.00 55.95 57.15 1x97 s SER 263 Cb -0.15 0.40 0.11 0.00 -1.71 0.00 0.00 66.02 64.68 1x97 s SER 263 CO 0.09 -0.54 1.03 1.33 1.20 0.00 0.00 173.24 176.35 1x97 n VAL 264 N 1.02 0.83 -3.31 4.45 0.24 -1.26 -4.91 118.33 115.39 1x97 n VAL 264 Ca -0.20 -0.91 -0.41 0.00 -2.04 0.00 0.00 64.34 60.77 1x97 n VAL 264 Cb 0.57 0.60 -0.08 0.00 -1.47 0.00 0.00 33.84 33.46 1x97 n VAL 264 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1x97 s THR 265 N -0.89 5.08 0.25 3.34 2.01 -1.26 -4.75 115.64 119.41 1x97 s THR 265 Ca 0.09 0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.20 1x97 s THR 265 Cb 0.05 -3.92 0.22 0.00 0.01 0.00 0.00 72.50 68.85 1x97 s THR 265 CO 0.06 -0.20 1.76 -0.65 -0.69 0.00 0.00 174.62 174.91 1x97 h PRO 266 N 8.50 0.59 -0.66 4.92 0.11 -1.96 -0.34 132.00 143.15 1x97 h PRO 266 Ca -0.28 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 1x97 h PRO 266 Cb 1.13 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1x97 h PRO 266 CO 0.75 0.39 0.34 0.93 -0.21 0.00 0.00 178.00 180.19 1x97 h GLU 267 N 0.60 0.92 0.03 1.05 3.07 -2.00 -2.28 114.58 115.98 1x97 h GLU 267 Ca 0.42 -0.11 -0.26 0.00 -0.50 0.00 0.00 59.36 58.92 1x97 h GLU 267 Cb 0.55 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1x97 h GLU 267 CO -0.34 0.70 -1.06 0.00 -1.40 0.00 0.00 179.01 176.91 1x97 h ARG 268 N 0.92 0.52 -0.41 2.33 3.08 -1.64 -1.32 114.38 117.86 1x97 h ARG 268 Ca 0.23 -0.61 0.07 0.00 0.07 0.00 0.00 59.98 59.74 1x97 h ARG 268 Cb 0.06 0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 1x97 h ARG 268 CO -0.03 1.23 0.07 0.82 -1.07 0.00 0.00 179.97 180.98 1x97 h ILE 269 N 0.27 0.76 -0.29 2.04 2.04 -0.90 0.16 117.51 121.59 1x97 h ILE 269 Ca -0.12 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1x97 h ILE 269 Cb 1.71 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1x97 h ILE 269 CO 0.19 0.03 0.11 0.00 0.00 0.00 0.00 178.15 178.49 1x97 h ALA 270 N 1.33 0.38 -0.52 1.87 0.00 -1.33 -3.08 119.26 117.91 1x97 h ALA 270 Ca 0.20 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1x97 h ALA 270 Cb 0.26 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1x97 h ALA 270 CO -0.28 -0.02 0.33 1.49 0.00 0.00 0.00 179.25 180.77 1x97 h GLU 271 N 0.32 0.65 0.00 0.00 4.81 -0.81 -2.53 114.58 117.03 1x97 h GLU 271 Ca 0.10 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1x97 h GLU 271 Cb 0.19 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1x97 h GLU 271 CO -0.01 0.43 -0.09 -0.91 -0.73 0.00 0.00 179.01 177.71 1x97 h ASN 272 N 0.67 0.00 1.34 1.04 2.35 -0.62 -1.29 115.58 119.07 1x97 h ASN 272 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1x97 h ASN 272 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1x97 h ASN 272 CO -0.06 0.09 -0.36 0.15 -1.65 0.00 0.00 177.43 175.60 1x97 h PHE 273 N 0.00 0.00 -0.59 1.19 3.57 -1.36 -3.39 116.94 116.35 1x97 h PHE 273 Ca -0.00 0.00 -0.71 0.00 3.53 0.00 0.00 57.97 60.79 1x97 h PHE 273 Cb 0.26 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1x97 h PHE 273 CO 0.00 0.00 3.07 1.63 -2.23 0.00 0.00 178.31 180.78 1x97 n LYS 274 N -2.49 4.01 0.00 1.11 5.02 -0.49 -4.32 118.16 121.00 1x97 n LYS 274 Ca 0.04 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 53.47 1x97 n LYS 274 Cb 0.48 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.71 1x97 n LYS 274 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1x97 n VAL 275 N 2.89 0.71 -0.26 -0.18 0.24 -1.26 -4.68 118.33 115.79 1x97 n VAL 275 Ca 0.67 -0.72 0.12 0.00 -2.04 0.00 0.00 64.34 62.37 1x97 n VAL 275 Cb 0.26 0.65 0.30 0.00 -1.47 0.00 0.00 33.84 33.58 1x97 n VAL 275 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1x97 n PHE 276 N -0.35 0.89 -0.63 6.34 3.72 -1.26 -4.43 117.46 121.74 1x97 n PHE 276 Ca 0.00 -0.46 0.06 0.00 -0.05 0.00 0.00 57.45 57.00 1x97 n PHE 276 Cb 0.31 -0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.99 1x97 n PHE 276 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1x97 n ASP 277 N 1.59 2.76 -3.81 4.37 5.75 -1.26 -4.42 116.55 121.54 1x97 n ASP 277 Ca 0.23 -2.61 -0.10 0.00 -0.01 0.00 0.00 54.79 52.31 1x97 n ASP 277 Cb 0.61 -0.32 -0.05 0.00 -1.03 0.00 0.00 41.12 40.33 1x97 n ASP 277 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1x97 s PHE 278 N -2.06 0.07 -0.03 2.11 -0.71 -1.26 -5.17 117.98 110.93 1x97 s PHE 278 Ca 0.25 -0.42 0.02 0.00 -1.04 0.00 0.00 56.93 55.74 1x97 s PHE 278 Cb 0.20 0.17 0.01 0.00 -1.21 0.00 0.00 43.02 42.18 1x97 s PHE 278 CO 0.06 -0.77 -0.08 -2.00 -1.34 0.00 0.00 175.22 171.09 1x97 s GLU 279 N -3.89 0.97 0.26 1.99 2.12 -1.26 -5.03 118.70 113.85 1x97 s GLU 279 Ca 0.10 -0.27 -0.30 0.00 0.36 0.00 0.00 54.97 54.87 1x97 s GLU 279 Cb 0.02 -0.90 -0.09 0.00 0.26 0.00 0.00 34.13 33.41 1x97 s GLU 279 CO -0.05 0.07 1.00 -0.51 -0.54 0.00 0.00 175.26 175.23 1x97 s LEU 280 N 0.36 4.61 0.79 2.70 1.43 -1.26 -5.06 118.68 122.25 1x97 s LEU 280 Ca -0.06 2.07 -0.12 0.00 -1.03 0.00 0.00 54.13 55.00 1x97 s LEU 280 Cb -0.10 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.56 1x97 s LEU 280 CO 0.01 0.04 1.10 -0.94 0.23 0.00 0.00 176.35 176.79 1x97 s SER 281 N -1.07 4.61 0.34 2.29 1.04 -1.26 -4.84 113.70 114.81 1x97 s SER 281 Ca 0.42 1.22 0.05 0.00 0.48 0.00 0.00 55.95 58.13 1x97 s SER 281 Cb -0.28 -1.95 0.70 0.00 0.10 0.00 0.00 66.02 64.59 1x97 s SER 281 CO 0.35 -1.88 1.91 0.28 0.98 0.00 0.00 173.24 174.88 1x97 h SER 282 N -1.03 0.74 -0.52 7.02 0.02 -1.99 -0.64 113.55 117.15 1x97 h SER 282 Ca -0.47 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1x97 h SER 282 Cb 1.27 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 1x97 h SER 282 CO 0.61 0.45 0.24 -0.61 -1.14 0.00 0.00 176.83 176.38 1x97 h GLN 283 N 0.82 0.76 -0.73 3.45 4.15 -1.99 0.20 115.11 121.77 1x97 h GLN 283 Ca 0.38 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.73 1x97 h GLN 283 Cb 0.40 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.90 1x97 h GLN 283 CO -0.15 0.63 0.45 -0.44 -1.93 0.00 0.00 178.83 177.39 1x97 h ASP 284 N 0.70 0.73 -0.19 -0.69 3.32 -1.72 -0.48 116.42 118.08 1x97 h ASP 284 Ca 0.18 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1x97 h ASP 284 Cb 0.13 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1x97 h ASP 284 CO -0.02 0.49 0.06 0.24 -1.72 0.00 0.00 179.24 178.29 1x97 h MET 285 N 0.86 0.30 -0.58 3.56 2.86 -0.74 0.25 114.93 121.44 1x97 h MET 285 Ca 0.30 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1x97 h MET 285 Cb 0.06 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1x97 h MET 285 CO -0.13 0.41 0.18 1.15 1.06 0.00 0.00 176.91 179.58 1x97 h THR 286 N 0.13 1.23 -0.11 2.22 2.02 -0.81 -0.01 112.91 117.57 1x97 h THR 286 Ca 0.06 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1x97 h THR 286 Cb 0.24 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1x97 h THR 286 CO -0.00 0.30 0.05 0.74 0.37 0.00 0.00 175.52 176.98 1x97 h THR 287 N 0.85 1.12 -0.99 3.16 2.02 -0.96 -0.98 112.91 117.13 1x97 h THR 287 Ca 0.19 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.05 1x97 h THR 287 Cb 0.26 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 1x97 h THR 287 CO -0.01 0.10 0.66 -0.07 0.37 0.00 0.00 175.52 176.57 1x97 h LEU 288 N 0.05 1.13 -1.73 2.58 3.38 -0.67 -1.98 115.31 118.06 1x97 h LEU 288 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1x97 h LEU 288 Cb 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1x97 h LEU 288 CO -0.00 0.80 0.02 -0.07 0.09 0.00 0.00 178.44 179.28 1x97 h LEU 289 N 1.32 0.17 -0.43 1.67 3.38 -0.77 -2.19 115.31 118.46 1x97 h LEU 289 Ca 0.37 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1x97 h LEU 289 Cb -0.12 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1x97 h LEU 289 CO -0.09 0.19 0.00 -1.54 0.09 0.00 0.00 178.44 177.09 1x97 n SER 290 N -4.44 0.31 -0.02 -0.43 3.41 -0.39 -2.35 113.62 109.70 1x97 n SER 290 Ca -0.01 0.59 0.16 0.00 -0.26 0.00 0.00 58.87 59.35 1x97 n SER 290 Cb 0.14 -0.65 0.89 0.00 -0.26 0.00 0.00 64.21 64.32 1x97 n SER 290 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1x97 n TYR 291 N -1.86 0.00 -1.64 7.33 4.01 -0.82 -4.92 117.16 119.25 1x97 n TYR 291 Ca 0.02 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.32 1x97 n TYR 291 Cb 0.15 -0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 1x97 n TYR 291 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1x97 n ASN 292 N -1.00 1.99 -0.42 7.72 5.15 -0.36 -4.36 115.26 123.98 1x97 n ASN 292 Ca 0.22 1.19 0.00 0.00 -0.60 0.00 0.00 54.58 55.39 1x97 n ASN 292 Cb 0.15 -1.38 0.00 0.00 -0.53 0.00 0.00 39.78 38.02 1x97 n ASN 292 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1x97 n ARG 293 N 0.71 0.00 -3.72 1.20 1.85 -0.52 -4.96 116.66 111.21 1x97 n ARG 293 Ca 0.08 -0.69 -0.27 0.00 -1.00 0.00 0.00 57.85 55.96 1x97 n ARG 293 Cb 0.34 -0.38 0.04 0.00 -1.05 0.00 0.00 32.46 31.41 1x97 n ARG 293 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1x97 n ASN 294 N 0.00 -5.44 -4.65 2.89 3.02 -0.60 -4.96 115.26 105.52 1x97 n ASN 294 Ca 0.00 -0.65 -0.39 0.00 -0.03 0.00 0.00 54.58 53.52 1x97 n ASN 294 Cb 0.63 -4.32 -0.08 0.00 -0.61 0.00 0.00 39.78 35.39 1x97 n ASN 294 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1x97 s TRP 295 N -3.28 3.32 -0.15 3.10 -0.00 -0.47 -4.98 118.94 116.48 1x97 s TRP 295 Ca 0.61 0.55 -0.03 0.00 -0.00 0.00 0.00 56.10 57.23 1x97 s TRP 295 Cb -0.29 -2.55 -0.03 0.00 -0.00 0.00 0.00 33.47 30.60 1x97 s TRP 295 CO 0.75 -0.10 -0.05 1.03 -0.00 0.00 0.00 176.95 178.58 1x97 s ARG 296 N 1.64 3.58 0.12 5.86 0.52 -1.26 -4.38 118.95 125.03 1x97 s ARG 296 Ca 0.18 -0.54 -0.19 0.00 -0.52 0.00 0.00 55.73 54.67 1x97 s ARG 296 Cb -0.15 -2.86 -0.05 0.00 0.52 0.00 0.00 34.95 32.41 1x97 s ARG 296 CO 0.09 0.27 1.72 0.28 0.02 0.00 0.00 175.30 177.68 1x97 h VAL 297 N 5.10 1.12 -3.57 3.52 2.07 -1.98 -3.41 116.25 119.10 1x97 h VAL 297 Ca -0.32 -0.32 -0.67 0.00 0.82 0.00 0.00 66.70 66.21 1x97 h VAL 297 Cb 1.19 0.85 -0.38 0.00 -1.52 0.00 0.00 31.29 31.44 1x97 h VAL 297 CO 0.61 0.12 -0.62 0.00 0.02 0.00 0.00 177.57 177.70 1x97 n ALA 299 N 4.17 2.52 -3.84 0.00 0.00 -1.26 -5.00 120.51 117.09 1x97 n ALA 299 Ca 0.02 -0.58 -0.35 0.00 0.00 0.00 0.00 53.44 52.53 1x97 n ALA 299 Cb 0.40 -0.41 0.03 0.00 0.00 0.00 0.00 19.45 19.47 1x97 n ALA 299 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1x97 n LEU 300 N 0.59 -2.01 0.25 0.00 7.94 -1.26 -4.82 117.00 117.69 1x97 n LEU 300 Ca 0.07 -1.10 0.17 0.00 -1.11 0.00 0.00 56.01 54.04 1x97 n LEU 300 Cb 0.30 -2.14 0.79 0.00 0.53 0.00 0.00 43.42 42.90 1x97 n LEU 300 CO 0.08 0.56 1.00 -0.07 -1.11 0.00 0.00 177.39 177.85 1x97 h LEU 301 N -2.09 0.00 -0.51 -1.96 3.38 -1.99 -1.55 115.31 110.59 1x97 h LEU 301 Ca -0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1x97 h LEU 301 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1x97 h LEU 301 CO 0.52 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.51 1x97 n SER 302 N -2.81 0.76 -0.10 -0.43 3.41 -1.26 -3.97 113.62 109.22 1x97 n SER 302 Ca -0.00 -1.61 0.04 0.00 -0.26 0.00 0.00 58.87 57.04 1x97 n SER 302 Cb 0.19 -0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.14 1x97 n SER 302 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x97 n THR 304 N -0.76 1.00 0.60 0.00 -2.24 -1.25 -1.02 114.28 110.59 1x97 n THR 304 Ca 0.07 0.55 0.06 0.00 -2.27 0.00 0.00 64.05 62.46 1x97 n THR 304 Cb 0.51 -1.53 -0.07 0.00 -2.10 0.00 0.00 70.33 67.14 1x97 n THR 304 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x97 n SER 305 N -2.22 0.64 -4.67 3.42 3.41 -1.26 -4.90 113.62 108.04 1x97 n SER 305 Ca -0.00 -0.79 -0.50 0.00 -0.26 0.00 0.00 58.87 57.32 1x97 n SER 305 Cb 0.10 1.01 -0.05 0.00 -0.26 0.00 0.00 64.21 65.01 1x97 n SER 305 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1x97 n HIS 306 N -1.32 2.15 -0.31 7.33 -0.00 -0.19 -4.83 115.22 118.05 1x97 n HIS 306 Ca 0.02 0.26 0.06 0.00 -0.00 0.00 0.00 57.72 58.06 1x97 n HIS 306 Cb 0.20 -2.55 0.22 0.00 -0.00 0.00 0.00 29.99 27.86 1x97 n HIS 306 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1x97 h LYS 307 N 7.26 0.71 -0.41 1.57 6.56 -1.90 0.19 116.57 130.54 1x97 h LYS 307 Ca -0.47 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1x97 h LYS 307 Cb 1.28 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 1x97 h LYS 307 CO 0.91 0.47 0.00 -0.25 -2.06 0.00 0.00 179.45 178.52 1x97 n ASP 308 N -4.79 2.01 -4.63 0.86 10.43 -1.26 -4.91 116.55 114.25 1x97 n ASP 308 Ca 0.17 -2.06 -0.50 0.00 2.57 0.00 0.00 54.79 54.96 1x97 n ASP 308 Cb 0.39 -0.28 -0.05 0.00 1.84 0.00 0.00 41.12 43.01 1x97 n ASP 308 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1x97 n TYR 309 N 0.46 1.85 0.21 1.24 9.36 0.66 -4.44 117.16 126.50 1x97 n TYR 309 Ca 0.11 0.47 0.12 0.00 3.32 0.00 0.00 57.90 61.93 1x97 n TYR 309 Cb 0.35 -2.43 0.12 0.00 -0.63 0.00 0.00 39.34 36.74 1x97 n TYR 309 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1x97 h PRO 310 N 5.41 0.00 -0.74 2.98 0.13 -1.89 -3.39 132.00 134.51 1x97 h PRO 310 Ca -0.47 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.26 1x97 h PRO 310 Cb 1.30 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.20 1x97 h PRO 310 CO 0.83 0.00 0.34 1.19 -0.23 0.00 0.00 178.00 180.13 1x97 n PHE 311 N -2.85 2.31 -0.08 1.56 3.72 -1.26 -4.17 117.46 116.69 1x97 n PHE 311 Ca 0.03 -1.89 -0.10 0.00 -0.05 0.00 0.00 57.45 55.44 1x97 n PHE 311 Cb 0.53 -0.80 -0.05 0.00 -0.94 0.00 0.00 39.48 38.22 1x97 n PHE 311 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1x97 h HIS 312 N 1.14 0.00 -1.94 1.38 3.86 -1.98 -3.48 115.15 114.14 1x97 h HIS 312 Ca 0.47 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 59.05 1x97 h HIS 312 Cb 2.17 0.00 0.13 0.00 1.06 0.00 0.00 27.41 30.78 1x97 h HIS 312 CO 1.35 0.54 -0.45 0.39 0.86 0.00 0.00 177.93 180.61 1x97 n GLU 313 N -4.58 0.45 -0.09 2.45 -0.58 -1.26 -4.89 120.64 112.14 1x97 n GLU 313 Ca -0.14 0.16 -0.06 0.00 -0.42 0.00 0.00 57.16 56.70 1x97 n GLU 313 Cb 0.38 -1.35 -0.00 0.00 -0.57 0.00 0.00 31.44 29.89 1x97 n GLU 313 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1x97 h GLU 314 N 0.94 -0.00 0.00 3.49 4.22 -1.92 -3.50 114.58 117.80 1x97 h GLU 314 Ca -0.37 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.07 1x97 h GLU 314 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1x97 h GLU 314 CO 0.53 -0.00 0.00 1.97 -2.18 0.00 0.00 179.01 179.33