#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x58 n SER -1 N 0.00 2.93 -1.44 1.61 2.88 -1.26 -4.05 113.62 114.29 2x58 n SER -1 Ca 0.00 -1.98 0.11 0.00 -1.33 0.00 0.00 58.87 55.67 2x58 n SER -1 Cb 0.00 -0.00 0.33 0.00 -0.75 0.00 0.00 64.21 63.79 2x58 n SER -1 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x58 n HIS 0 N 1.29 1.18 -0.03 0.66 1.44 -1.26 -4.60 115.22 113.90 2x58 n HIS 0 Ca 0.14 -0.53 -0.06 0.00 -2.01 0.00 0.00 57.72 55.26 2x58 n HIS 0 Cb 0.59 -0.10 0.13 0.00 0.12 0.00 0.00 29.99 30.73 2x58 n HIS 0 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2x58 h MET 1 N 4.17 0.63 -2.67 -1.40 2.07 -1.71 -3.32 114.93 112.69 2x58 h MET 1 Ca 0.00 -0.26 -0.60 0.00 -2.07 0.00 0.00 59.70 56.77 2x58 h MET 1 Cb 1.16 -0.02 -0.40 0.00 -1.87 0.00 0.00 31.60 30.47 2x58 h MET 1 CO 0.09 0.84 -0.79 0.00 1.07 0.00 0.00 176.91 178.12 2x58 n ALA 2 N -2.50 3.14 -1.66 6.32 0.00 -1.26 0.12 120.51 124.67 2x58 n ALA 2 Ca -0.00 -3.80 -0.43 0.00 0.00 0.00 0.00 53.44 49.20 2x58 n ALA 2 Cb 0.44 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 2x58 n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2x58 n GLU 3 N 2.34 2.73 -3.21 0.00 4.07 0.62 -4.62 120.64 122.57 2x58 n GLU 3 Ca 0.25 1.00 -0.41 0.00 -0.06 0.00 0.00 57.16 57.94 2x58 n GLU 3 Cb 0.42 -2.94 -0.08 0.00 -0.06 0.00 0.00 31.44 28.78 2x58 n GLU 3 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 2x58 s TYR 4 N 4.44 3.19 -0.02 4.31 6.14 -1.26 -1.28 117.35 132.87 2x58 s TYR 4 Ca 0.90 0.32 0.02 0.00 0.64 0.00 0.00 57.07 58.95 2x58 s TYR 4 Cb -0.48 -2.92 0.01 0.00 0.42 0.00 0.00 41.96 38.99 2x58 s TYR 4 CO 0.44 -0.49 -0.05 -1.17 0.64 0.00 0.00 175.55 174.92 2x58 s LEU 5 N 2.44 1.73 0.12 6.97 2.96 -0.75 -5.02 118.68 127.13 2x58 s LEU 5 Ca 0.20 -0.11 -0.24 0.00 -0.22 0.00 0.00 54.13 53.77 2x58 s LEU 5 Cb -0.15 -0.35 -0.07 0.00 0.50 0.00 0.00 46.19 46.12 2x58 s LEU 5 CO 0.13 0.02 0.72 -0.60 -1.32 0.00 0.00 176.35 175.30 2x58 s ARG 6 N 0.27 4.46 0.37 1.98 6.06 -1.26 -0.16 118.95 130.67 2x58 s ARG 6 Ca -0.03 1.03 0.08 0.00 -2.50 0.00 0.00 55.73 54.31 2x58 s ARG 6 Cb -0.07 -3.28 -0.06 0.00 0.06 0.00 0.00 34.95 31.61 2x58 s ARG 6 CO -0.00 0.53 0.06 -0.51 -2.50 0.00 0.00 175.30 172.88 2x58 s LEU 7 N -0.92 3.01 0.79 -0.88 1.02 -0.18 -4.89 118.68 116.62 2x58 s LEU 7 Ca 0.34 -1.06 -0.12 0.00 0.02 0.00 0.00 54.13 53.31 2x58 s LEU 7 Cb -0.22 -1.32 0.07 0.00 0.02 0.00 0.00 46.19 44.74 2x58 s LEU 7 CO 0.24 -0.35 1.14 -2.16 0.02 0.00 0.00 176.35 175.23 2x58 s PRO 8 N -3.77 1.96 -1.16 1.29 0.04 -1.26 -3.91 135.00 128.19 2x58 s PRO 8 Ca 0.37 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.85 2x58 s PRO 8 Cb 0.02 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2x58 s PRO 8 CO 0.20 -1.91 0.01 0.72 0.04 0.00 0.00 177.00 176.07 2x58 n HIS 9 N -3.37 -0.67 -2.44 0.56 8.25 -1.26 -3.24 115.22 113.05 2x58 n HIS 9 Ca 0.11 0.01 -0.18 0.00 -0.26 0.00 0.00 57.72 57.40 2x58 n HIS 9 Cb 0.52 -2.95 -0.00 0.00 1.12 0.00 0.00 29.99 28.68 2x58 n HIS 9 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2x58 n SER 10 N -0.62 -5.20 -4.98 0.41 7.64 -1.26 -4.96 113.62 104.66 2x58 n SER 10 Ca -0.16 -0.06 -0.20 0.00 1.01 0.00 0.00 58.87 59.46 2x58 n SER 10 Cb 0.62 -4.24 -0.00 0.00 -1.01 0.00 0.00 64.21 59.58 2x58 n SER 10 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2x58 s LEU 11 N -5.18 3.96 0.09 -3.43 1.43 -1.20 -1.36 118.68 112.99 2x58 s LEU 11 Ca 0.05 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 2x58 s LEU 11 Cb -0.02 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 2x58 s LEU 11 CO 0.06 -0.43 -0.13 0.00 0.23 0.00 0.00 176.35 176.08 2x58 s ALA 12 N -2.21 1.26 0.00 4.21 0.00 -1.04 -1.01 121.76 122.98 2x58 s ALA 12 Ca 0.44 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 51.32 2x58 s ALA 12 Cb -0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2x58 s ALA 12 CO 0.32 0.10 -0.17 1.41 0.00 0.00 0.00 175.76 177.41 2x58 s MET 13 N -2.29 2.24 -0.16 0.00 1.75 0.77 -0.64 119.30 120.97 2x58 s MET 13 Ca 0.03 -0.87 0.01 0.00 -1.25 0.00 0.00 55.69 53.62 2x58 s MET 13 Cb -0.07 -2.25 0.02 0.00 2.84 0.00 0.00 34.83 35.38 2x58 s MET 13 CO 0.02 0.57 -0.19 0.42 -0.65 0.00 0.00 175.02 175.19 2x58 s ILE 14 N -0.82 1.94 -0.22 10.11 1.01 0.25 -1.81 121.20 131.66 2x58 s ILE 14 Ca 0.13 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.92 2x58 s ILE 14 Cb -0.10 -1.76 0.05 0.00 0.01 0.00 0.00 42.46 40.66 2x58 s ILE 14 CO 0.03 0.52 -0.08 -0.60 0.00 0.00 0.00 174.94 174.81 2x58 s ARG 15 N 1.24 1.90 -0.10 2.79 3.52 -0.41 -1.33 118.95 126.55 2x58 s ARG 15 Ca 0.03 -0.96 -0.30 0.00 -0.13 0.00 0.00 55.73 54.37 2x58 s ARG 15 Cb -0.13 -2.54 -0.03 0.00 -1.56 0.00 0.00 34.95 30.69 2x58 s ARG 15 CO -0.10 -0.51 1.37 -0.51 -0.81 0.00 0.00 175.30 174.74 2x58 s LEU 16 N 1.36 4.24 -0.45 -0.88 1.43 0.34 -0.28 118.68 124.45 2x58 s LEU 16 Ca -0.04 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.98 2x58 s LEU 16 Cb -0.18 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.63 2x58 s LEU 16 CO -0.07 -0.78 0.22 0.00 0.23 0.00 0.00 176.35 175.96 2x58 n ASN 18 N 3.55 0.07 -4.52 0.00 5.15 -1.26 -4.10 115.26 114.15 2x58 n ASN 18 Ca 0.07 -2.63 -0.40 0.00 -0.60 0.00 0.00 54.58 51.02 2x58 n ASN 18 Cb 0.35 -0.62 0.02 0.00 -0.53 0.00 0.00 39.78 39.00 2x58 n ASN 18 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2x58 n PRO 19 N 1.73 0.83 0.04 1.20 -0.04 -1.26 -0.57 135.00 136.94 2x58 n PRO 19 Ca 0.23 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 64.12 2x58 n PRO 19 Cb 0.52 -1.79 0.30 0.00 -0.04 0.00 0.00 33.50 32.49 2x58 n PRO 19 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2x58 n PRO 20 N 0.12 0.15 -0.80 0.54 -0.04 -1.26 -4.78 135.00 128.94 2x58 n PRO 20 Ca 0.11 0.06 0.01 0.00 -0.04 0.00 0.00 63.50 63.64 2x58 n PRO 20 Cb 0.42 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 2x58 n PRO 20 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2x58 n VAL 21 N -1.85 0.00 -2.98 0.52 0.24 -1.18 -5.00 118.33 108.07 2x58 n VAL 21 Ca 0.05 -0.27 -0.21 0.00 -2.04 0.00 0.00 64.34 61.87 2x58 n VAL 21 Cb 0.39 0.57 0.01 0.00 -1.47 0.00 0.00 33.84 33.34 2x58 n VAL 21 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2x58 n ASN 22 N 0.13 -4.79 -4.67 -1.34 3.02 0.27 -2.37 115.26 105.52 2x58 n ASN 22 Ca 0.00 -0.21 -0.38 0.00 -0.03 0.00 0.00 54.58 53.96 2x58 n ASN 22 Cb 0.80 -3.94 0.05 0.00 -0.61 0.00 0.00 39.78 36.07 2x58 n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x58 n ALA 23 N -3.16 0.77 -2.66 5.41 0.00 -1.23 -4.23 120.51 115.41 2x58 n ALA 23 Ca -0.09 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 2x58 n ALA 23 Cb 0.60 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 2x58 n ALA 23 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2x58 s VAL 24 N -1.39 4.80 0.43 0.00 1.01 0.24 -4.77 120.40 120.72 2x58 s VAL 24 Ca 0.73 1.77 0.07 0.00 0.00 0.00 0.00 61.98 64.55 2x58 s VAL 24 Cb -0.43 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 2x58 s VAL 24 CO 0.49 -0.07 0.21 -0.94 0.00 0.00 0.00 175.10 174.78 2x58 s SER 25 N 1.22 4.46 0.36 3.32 1.04 -1.26 -2.54 113.70 120.31 2x58 s SER 25 Ca 0.40 -1.11 0.10 0.00 0.48 0.00 0.00 55.95 55.81 2x58 s SER 25 Cb -0.16 -0.32 0.85 0.00 0.10 0.00 0.00 66.02 66.49 2x58 s SER 25 CO 0.09 -0.63 1.86 -0.65 0.98 0.00 0.00 173.24 174.90 2x58 h PRO 26 N 1.32 0.63 -0.12 4.02 0.11 -1.99 -1.22 132.00 134.76 2x58 h PRO 26 Ca -0.42 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2x58 h PRO 26 Cb 1.26 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2x58 h PRO 26 CO 0.68 0.42 0.01 1.15 -0.21 0.00 0.00 178.00 180.05 2x58 h THR 27 N 0.65 1.24 -0.99 -1.15 2.02 -1.98 0.30 112.91 113.00 2x58 h THR 27 Ca 0.45 -0.77 0.21 0.00 0.77 0.00 0.00 66.41 67.07 2x58 h THR 27 Cb 0.78 1.53 -0.10 0.00 -1.74 0.00 0.00 68.15 68.62 2x58 h THR 27 CO -0.21 0.22 0.62 0.58 0.37 0.00 0.00 175.52 177.10 2x58 h VAL 28 N -0.05 0.66 0.29 3.16 2.07 -1.66 0.10 116.25 120.83 2x58 h VAL 28 Ca 0.03 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2x58 h VAL 28 Cb 0.34 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2x58 h VAL 28 CO 0.00 0.11 -0.14 0.40 0.02 0.00 0.00 177.57 177.97 2x58 h ILE 29 N 0.63 0.71 -0.80 4.57 2.04 -0.71 -0.93 117.51 123.03 2x58 h ILE 29 Ca 0.56 -0.62 0.15 0.00 1.00 0.00 0.00 64.86 65.96 2x58 h ILE 29 Cb 1.07 1.03 -0.15 0.00 -0.74 0.00 0.00 36.82 38.02 2x58 h ILE 29 CO -0.33 0.12 -0.24 0.03 0.00 0.00 0.00 178.15 177.72 2x58 h ARG 30 N -0.75 -0.03 0.01 2.37 3.08 0.11 0.41 114.38 119.60 2x58 h ARG 30 Ca -0.04 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.81 2x58 h ARG 30 Cb 0.50 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2x58 h ARG 30 CO 0.07 -0.02 -0.93 0.93 -1.07 0.00 0.00 179.97 178.95 2x58 h GLU 31 N -0.03 0.07 -0.52 0.04 5.08 -0.82 -0.01 114.58 118.39 2x58 h GLU 31 Ca 0.36 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 2x58 h GLU 31 Cb 0.59 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2x58 h GLU 31 CO -0.83 0.95 -0.06 0.28 -1.00 0.00 0.00 179.01 178.35 2x58 h VAL 32 N 0.03 1.26 0.68 3.13 2.07 -0.64 -0.26 116.25 122.53 2x58 h VAL 32 Ca -0.03 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 2x58 h VAL 32 Cb 1.62 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2x58 h VAL 32 CO 0.13 0.41 -0.39 0.03 0.02 0.00 0.00 177.57 177.77 2x58 h ARG 33 N 0.85 -0.97 -0.98 1.57 3.08 -0.35 -1.30 114.38 116.28 2x58 h ARG 33 Ca 0.15 0.07 0.33 0.00 0.07 0.00 0.00 59.98 60.59 2x58 h ARG 33 Cb 0.58 0.22 -0.17 0.00 0.08 0.00 0.00 29.97 30.68 2x58 h ARG 33 CO 0.04 -0.64 0.28 -0.91 -1.07 0.00 0.00 179.97 177.67 2x58 h ASN 34 N -1.00 -0.05 -0.10 7.04 2.35 -0.87 0.75 115.58 123.70 2x58 h ASN 34 Ca -0.09 0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2x58 h ASN 34 Cb 0.80 0.35 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 2x58 h ASN 34 CO 0.11 -0.35 0.02 1.23 -1.65 0.00 0.00 177.43 176.79 2x58 h GLY 35 N 0.05 0.11 1.01 2.83 0.00 -0.33 -2.53 103.07 104.21 2x58 h GLY 35 Ca 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 48.02 2x58 h GLY 35 CO -0.81 0.00 0.53 1.41 0.00 0.00 0.00 176.54 177.67 2x58 h LEU 36 N 0.06 0.99 -0.30 3.11 3.38 0.25 -1.64 115.31 121.15 2x58 h LEU 36 Ca 0.04 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2x58 h LEU 36 Cb 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2x58 h LEU 36 CO -0.06 0.74 0.18 1.56 0.09 0.00 0.00 178.44 180.95 2x58 h GLN 37 N 1.14 0.36 -0.05 1.13 4.20 -1.29 0.36 115.11 120.97 2x58 h GLN 37 Ca 0.30 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 2x58 h GLN 37 Cb -0.08 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 2x58 h GLN 37 CO -0.06 0.24 0.02 0.87 -0.67 0.00 0.00 178.83 179.22 2x58 h LYS 38 N 0.37 0.07 0.00 1.46 1.57 -1.34 -2.82 116.57 115.88 2x58 h LYS 38 Ca 0.12 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2x58 h LYS 38 Cb -0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2x58 h LYS 38 CO -0.05 0.24 -0.01 0.00 -0.57 0.00 0.00 179.45 179.06 2x58 h ALA 39 N 0.83 1.05 0.04 3.86 0.00 -1.15 -3.13 119.26 120.77 2x58 h ALA 39 Ca 0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2x58 h ALA 39 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2x58 h ALA 39 CO -0.00 0.02 -0.42 0.78 0.00 0.00 0.00 179.25 179.63 2x58 h GLY 40 N 0.77 0.10 -2.12 0.00 0.00 -0.76 -3.35 103.07 97.71 2x58 h GLY 40 Ca -0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 2x58 h GLY 40 CO 0.00 0.23 0.09 -1.14 0.00 0.00 0.00 176.54 175.72 2x58 n SER 41 N -4.43 2.77 -3.75 0.19 3.41 -1.08 -4.64 113.62 106.08 2x58 n SER 41 Ca -0.14 -2.29 -0.29 0.00 -0.26 0.00 0.00 58.87 55.88 2x58 n SER 41 Cb 0.61 -0.56 -0.15 0.00 -0.26 0.00 0.00 64.21 63.84 2x58 n SER 41 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2x58 s ASP 42 N 0.28 3.68 0.00 4.04 -1.08 -1.23 -5.01 116.67 117.35 2x58 s ASP 42 Ca 0.12 -1.35 0.06 0.00 -0.52 0.00 0.00 52.55 50.86 2x58 s ASP 42 Cb 0.10 -0.82 0.29 0.00 -1.46 0.00 0.00 42.92 41.03 2x58 s ASP 42 CO 0.03 -0.36 1.16 0.00 0.52 0.00 0.00 175.17 176.51 2x58 n HIS 43 N 4.89 0.00 0.50 -5.34 1.44 -1.26 -1.29 115.22 114.16 2x58 n HIS 43 Ca -0.05 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.78 2x58 n HIS 43 Cb 0.44 -0.44 0.12 0.00 0.12 0.00 0.00 29.99 30.22 2x58 n HIS 43 CO 0.00 0.00 0.00 1.79 -2.81 0.00 0.00 176.34 175.32 2x58 h THR 44 N 0.00 0.00 -3.39 0.61 1.35 -1.94 -3.44 112.91 106.11 2x58 h THR 44 Ca 0.00 -0.56 -0.58 0.00 -0.55 0.00 0.00 66.41 64.72 2x58 h THR 44 Cb 0.09 1.07 -0.08 0.00 -1.73 0.00 0.00 68.15 67.51 2x58 h THR 44 CO 0.00 0.00 0.04 -0.69 -0.25 0.00 0.00 175.52 174.62 2x58 s VAL 45 N -3.20 5.07 0.00 6.82 1.01 -0.41 -4.60 120.40 125.08 2x58 s VAL 45 Ca 0.05 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.21 2x58 s VAL 45 Cb 0.13 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2x58 s VAL 45 CO 0.75 0.20 0.00 0.29 0.00 0.00 0.00 175.10 176.33 2x58 n LYS 46 N 4.43 5.38 -3.68 2.72 5.02 -0.47 -4.91 118.16 126.65 2x58 n LYS 46 Ca -0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 2x58 n LYS 46 Cb 0.51 -0.57 -0.03 0.00 -0.02 0.00 0.00 35.03 34.91 2x58 n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x58 s ALA 47 N -1.13 -1.14 -0.06 7.82 0.00 -1.26 -4.37 121.76 121.62 2x58 s ALA 47 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 51.92 2x58 s ALA 47 Cb 0.00 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.99 2x58 s ALA 47 CO 0.00 -0.83 -0.10 0.42 0.00 0.00 0.00 175.76 175.25 2x58 s ILE 48 N -3.85 0.99 -0.20 0.00 1.01 -0.59 -2.48 121.20 116.08 2x58 s ILE 48 Ca 0.07 -0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 2x58 s ILE 48 Cb -0.02 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 2x58 s ILE 48 CO -0.04 0.32 0.12 -0.69 0.00 0.00 0.00 174.94 174.65 2x58 s VAL 49 N 0.69 5.26 -0.19 2.92 1.01 0.18 -0.29 120.40 129.98 2x58 s VAL 49 Ca -0.13 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 2x58 s VAL 49 Cb -0.15 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2x58 s VAL 49 CO 0.03 0.44 -0.08 -0.63 0.00 0.00 0.00 175.10 174.86 2x58 s ILE 50 N 0.42 3.19 0.17 2.22 1.01 0.11 -0.58 121.20 127.74 2x58 s ILE 50 Ca 0.07 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 2x58 s ILE 50 Cb -0.12 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 2x58 s ILE 50 CO -0.01 0.46 0.27 0.00 0.00 0.00 0.00 174.94 175.67 2x58 s GLY 52 N -3.00 1.96 0.34 0.00 0.00 -1.26 -0.50 107.32 104.86 2x58 s GLY 52 Ca 0.20 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.27 2x58 s GLY 52 CO 0.02 -0.59 0.53 0.00 0.00 0.00 0.00 173.10 173.07 2x58 s ALA 53 N -1.86 3.75 -1.61 3.20 0.00 -0.67 -4.67 121.76 119.90 2x58 s ALA 53 Ca 0.41 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 2x58 s ALA 53 Cb -0.11 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.96 2x58 s ALA 53 CO 0.28 -0.02 0.14 0.09 0.00 0.00 0.00 175.76 176.25 2x58 n ASN 54 N -1.76 -5.65 0.00 0.00 4.13 -1.26 -3.43 115.26 107.29 2x58 n ASN 54 Ca -0.05 -0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.13 2x58 n ASN 54 Cb 0.56 -4.63 0.00 0.00 -1.54 0.00 0.00 39.78 34.17 2x58 n ASN 54 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x58 n GLY 55 N -1.13 0.77 2.98 7.41 0.00 -1.26 -5.04 105.19 108.92 2x58 n GLY 55 Ca -0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 2x58 n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x58 s ASN 56 N -2.57 0.94 0.01 1.61 0.01 -1.22 -3.57 114.94 110.15 2x58 s ASN 56 Ca 0.00 -0.14 -0.09 0.00 -0.71 0.00 0.00 52.86 51.92 2x58 s ASN 56 Cb 0.00 -0.20 -0.05 0.00 0.41 0.00 0.00 41.25 41.41 2x58 s ASN 56 CO 0.00 0.06 0.98 0.15 -1.51 0.00 0.00 177.10 176.78 2x58 h PHE 57 N 6.26 -0.30 -0.79 2.20 3.57 -0.23 -3.30 116.94 124.35 2x58 h PHE 57 Ca -0.32 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.37 2x58 h PHE 57 Cb 1.18 0.10 -0.26 0.00 2.79 0.00 0.00 35.95 39.75 2x58 h PHE 57 CO 0.43 -0.19 0.39 0.00 -2.23 0.00 0.00 178.31 176.71 2x58 n ALA 59 N 4.52 2.71 0.00 0.00 0.00 -1.00 -1.03 120.51 125.72 2x58 n ALA 59 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2x58 n ALA 59 Cb 0.54 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2x58 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x58 n GLY 60 N 1.33 0.53 3.76 0.00 0.00 -1.11 -4.47 105.19 105.22 2x58 n GLY 60 Ca 0.13 -2.17 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 2x58 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x58 s ALA 61 N -1.65 2.79 -0.24 4.61 0.00 -1.26 -0.59 121.76 125.42 2x58 s ALA 61 Ca 0.00 1.14 -0.32 0.00 0.00 0.00 0.00 51.96 52.78 2x58 s ALA 61 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 2x58 s ALA 61 CO 0.00 -1.13 2.14 -3.47 0.00 0.00 0.00 175.76 173.30 2x58 n ASP 62 N -1.02 2.89 -0.10 0.00 -0.08 -1.05 -4.72 116.55 112.47 2x58 n ASP 62 Ca 0.10 0.45 0.06 0.00 -1.51 0.00 0.00 54.79 53.89 2x58 n ASP 62 Cb 0.47 -1.41 0.39 0.00 2.34 0.00 0.00 41.12 42.91 2x58 n ASP 62 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2x58 h ILE 63 N 6.76 1.06 -0.84 5.18 2.04 -1.94 -1.19 117.51 128.58 2x58 h ILE 63 Ca -0.37 -0.22 0.15 0.00 1.00 0.00 0.00 64.86 65.41 2x58 h ILE 63 Cb 1.28 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 2x58 h ILE 63 CO 0.98 0.12 0.55 0.45 0.00 0.00 0.00 178.15 180.25 2x58 h HIS 64 N 0.65 0.66 0.00 1.37 3.86 -2.02 -1.50 115.15 118.18 2x58 h HIS 64 Ca 0.24 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2x58 h HIS 64 Cb 0.13 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.39 2x58 h HIS 64 CO -0.00 0.24 0.00 0.41 0.86 0.00 0.00 177.93 179.44 2x58 n GLY 65 N -1.48 -0.65 0.12 2.45 0.00 -0.45 -4.17 105.19 101.01 2x58 n GLY 65 Ca 0.16 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2x58 n GLY 65 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2x58 n PHE 66 N -0.64 0.00 -1.63 1.61 3.01 -0.56 -4.86 117.46 114.39 2x58 n PHE 66 Ca 0.04 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.07 2x58 n PHE 66 Cb 0.02 -0.21 -0.01 0.00 -0.01 0.00 0.00 39.48 39.27 2x58 n PHE 66 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2x58 n SER 67 N -1.06 1.79 0.08 4.37 3.41 -1.26 -4.85 113.62 116.10 2x58 n SER 67 Ca 0.10 1.17 0.21 0.00 -0.26 0.00 0.00 58.87 60.09 2x58 n SER 67 Cb 0.33 -1.37 0.71 0.00 -0.26 0.00 0.00 64.21 63.62 2x58 n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x58 h ALA 68 N 2.11 2.15 -0.03 7.33 0.00 -1.94 -3.15 119.26 125.72 2x58 h ALA 68 Ca -0.42 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 2x58 h ALA 68 Cb 1.32 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.15 2x58 h ALA 68 CO 0.61 -0.76 -0.50 0.74 0.00 0.00 0.00 179.25 179.33 2x58 h PHE 69 N 0.00 0.55 -4.31 0.00 0.04 -1.90 -3.46 116.94 107.86 2x58 h PHE 69 Ca 0.21 -0.28 -0.51 0.00 2.80 0.00 0.00 57.97 60.18 2x58 h PHE 69 Cb 1.27 -0.07 0.11 0.00 2.20 0.00 0.00 35.95 39.47 2x58 h PHE 69 CO 0.00 1.08 0.34 0.95 -0.60 0.00 0.00 178.31 180.08 2x58 s THR 70 N -3.33 3.60 1.09 -1.55 -4.23 -1.19 -5.09 115.64 104.94 2x58 s THR 70 Ca -0.14 0.53 -0.13 0.00 -1.18 0.00 0.00 61.69 60.78 2x58 s THR 70 Cb 0.03 -3.12 0.24 0.00 1.34 0.00 0.00 72.50 71.00 2x58 s THR 70 CO 0.81 -0.66 1.06 -2.84 -0.54 0.00 0.00 174.62 172.45 2x58 s PRO 71 N -4.90 -0.33 0.38 3.99 0.02 -1.26 -4.94 135.00 127.97 2x58 s PRO 71 Ca 0.60 0.58 -0.09 0.00 0.02 0.00 0.00 61.00 62.12 2x58 s PRO 71 Cb -0.16 -1.64 -0.06 0.00 0.02 0.00 0.00 34.50 32.66 2x58 s PRO 71 CO 0.54 -3.26 0.72 0.20 -0.33 0.00 0.00 177.00 174.87 2x58 s GLY 72 N -3.09 1.91 0.40 0.52 0.00 -1.26 -5.00 107.32 100.80 2x58 s GLY 72 Ca 0.67 -0.30 -0.26 0.00 0.00 0.00 0.00 44.72 44.83 2x58 s GLY 72 CO 0.61 -0.13 1.31 0.48 0.00 0.00 0.00 173.10 175.36 2x58 s LEU 73 N -3.81 4.23 -1.37 0.66 0.05 -1.26 -4.87 118.68 112.31 2x58 s LEU 73 Ca 0.49 2.67 -0.08 0.00 0.05 0.00 0.00 54.13 57.26 2x58 s LEU 73 Cb -0.10 -3.88 0.09 0.00 -2.05 0.00 0.00 46.19 40.26 2x58 s LEU 73 CO 0.31 -0.83 2.28 0.00 -0.55 0.00 0.00 176.35 177.57 2x58 n ALA 74 N 0.19 6.30 0.05 1.48 0.00 -1.26 -4.54 120.51 122.72 2x58 n ALA 74 Ca 0.03 -4.05 -0.17 0.00 0.00 0.00 0.00 53.44 49.25 2x58 n ALA 74 Cb 0.43 -3.03 -0.08 0.00 0.00 0.00 0.00 19.45 16.78 2x58 n ALA 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2x58 h LEU 75 N 7.09 0.76 -0.42 0.00 5.85 -1.91 -3.27 115.31 123.41 2x58 h LEU 75 Ca 0.61 -0.60 0.06 0.00 0.84 0.00 0.00 57.88 58.79 2x58 h LEU 75 Cb 0.45 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2x58 h LEU 75 CO 1.63 1.40 0.11 1.23 -0.34 0.00 0.00 178.44 182.47 2x58 h GLY 76 N 0.76 0.52 0.61 3.75 0.00 -1.80 -1.00 103.07 105.92 2x58 h GLY 76 Ca -0.11 -0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.25 2x58 h GLY 76 CO 0.19 -0.02 0.36 0.23 0.00 0.00 0.00 176.54 177.30 2x58 h SER 77 N 0.25 0.51 -0.85 0.19 0.87 -1.94 -1.45 113.55 111.13 2x58 h SER 77 Ca 0.20 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2x58 h SER 77 Cb 0.23 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 2x58 h SER 77 CO -0.24 0.32 0.48 0.25 -0.53 0.00 0.00 176.83 177.11 2x58 h LEU 78 N 0.65 1.05 -0.94 2.23 5.85 -1.33 -0.44 115.31 122.38 2x58 h LEU 78 Ca 0.31 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2x58 h LEU 78 Cb 0.24 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2x58 h LEU 78 CO -0.21 0.83 0.54 0.58 -0.34 0.00 0.00 178.44 179.84 2x58 h VAL 79 N 1.19 1.26 -0.09 1.05 2.07 -0.47 -1.62 116.25 119.64 2x58 h VAL 79 Ca 0.30 -0.60 -0.24 0.00 0.82 0.00 0.00 66.70 66.98 2x58 h VAL 79 Cb 0.00 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2x58 h VAL 79 CO -0.05 0.28 -0.88 0.44 0.02 0.00 0.00 177.57 177.38 2x58 h ASP 80 N 1.29 0.94 -0.98 0.57 3.32 -0.71 -2.83 116.42 118.02 2x58 h ASP 80 Ca 0.33 -0.67 0.06 0.00 0.02 0.00 0.00 57.03 56.77 2x58 h ASP 80 Cb -0.02 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.19 2x58 h ASP 80 CO -0.06 1.47 0.63 -0.08 -1.72 0.00 0.00 179.24 179.49 2x58 h GLU 81 N 0.48 1.12 0.08 3.56 4.81 -0.85 -2.23 114.58 121.56 2x58 h GLU 81 Ca -0.08 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2x58 h GLU 81 Cb 1.52 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2x58 h GLU 81 CO 0.18 0.74 -0.04 0.82 -0.73 0.00 0.00 179.01 179.98 2x58 h ILE 82 N 1.15 1.13 -0.86 2.32 2.04 -1.28 -2.51 117.51 119.50 2x58 h ILE 82 Ca 0.41 -0.83 0.20 0.00 1.00 0.00 0.00 64.86 65.65 2x58 h ILE 82 Cb 0.15 1.67 -0.12 0.00 -0.74 0.00 0.00 36.82 37.77 2x58 h ILE 82 CO -0.16 0.20 0.35 1.56 0.00 0.00 0.00 178.15 180.10 2x58 h GLN 83 N -0.49 0.37 0.00 2.37 4.20 -1.23 0.12 115.11 120.45 2x58 h GLN 83 Ca -0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2x58 h GLN 83 Cb 0.42 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2x58 h GLN 83 CO 0.02 0.24 0.00 0.54 -0.67 0.00 0.00 178.83 178.96 2x58 n ARG 84 N -5.06 0.05 -1.71 1.46 1.74 -0.86 -4.81 116.66 107.47 2x58 n ARG 84 Ca 0.20 0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.93 2x58 n ARG 84 Cb 0.60 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.57 2x58 n ARG 84 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2x58 n TYR 85 N -1.47 2.06 1.22 -1.55 9.36 0.41 -4.93 117.16 122.26 2x58 n TYR 85 Ca 0.07 0.47 0.13 0.00 3.32 0.00 0.00 57.90 61.88 2x58 n TYR 85 Cb 0.30 -2.35 0.31 0.00 -0.63 0.00 0.00 39.34 36.97 2x58 n TYR 85 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2x58 n GLN 86 N -0.44 1.01 -4.63 2.98 1.13 -1.26 -4.78 117.38 111.40 2x58 n GLN 86 Ca 0.09 -0.66 -0.30 0.00 -1.94 0.00 0.00 57.00 54.18 2x58 n GLN 86 Cb 0.42 -1.49 -0.13 0.00 0.11 0.00 0.00 30.24 29.16 2x58 n GLN 86 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2x58 s LYS 87 N -2.44 1.94 0.43 -1.09 1.02 -1.26 -5.03 119.74 113.32 2x58 s LYS 87 Ca 0.25 -1.06 -0.25 0.00 0.02 0.00 0.00 55.97 54.93 2x58 s LYS 87 Cb 0.19 -2.12 -0.09 0.00 -0.52 0.00 0.00 37.83 35.28 2x58 s LYS 87 CO 0.51 0.52 1.30 -2.30 -0.92 0.00 0.00 175.35 174.46 2x58 n PRO 88 N 1.43 1.96 -4.04 -1.68 -0.02 -1.26 -4.83 135.00 126.56 2x58 n PRO 88 Ca -0.16 0.70 -0.27 0.00 -2.02 0.00 0.00 63.50 61.74 2x58 n PRO 88 Cb 0.52 -2.43 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 2x58 n PRO 88 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2x58 s VAL 89 N -1.21 1.17 -0.11 -1.45 1.01 -1.26 -1.54 120.40 117.02 2x58 s VAL 89 Ca 0.62 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.23 2x58 s VAL 89 Cb -0.49 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 2x58 s VAL 89 CO 0.57 0.39 -0.22 -0.76 0.00 0.00 0.00 175.10 175.08 2x58 s LEU 90 N 1.50 2.21 -0.26 3.92 1.02 0.60 -0.97 118.68 126.69 2x58 s LEU 90 Ca 0.02 -0.52 -0.16 0.00 0.02 0.00 0.00 54.13 53.49 2x58 s LEU 90 Cb -0.13 -1.45 -0.03 0.00 0.02 0.00 0.00 46.19 44.60 2x58 s LEU 90 CO -0.07 0.16 0.45 0.00 0.02 0.00 0.00 176.35 176.90 2x58 s ALA 91 N 0.37 3.58 -0.30 4.21 0.00 0.71 0.04 121.76 130.37 2x58 s ALA 91 Ca -0.17 -0.69 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 2x58 s ALA 91 Cb -0.17 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 2x58 s ALA 91 CO 0.08 -0.68 0.17 0.00 0.00 0.00 0.00 175.76 175.33 2x58 s ALA 92 N 2.14 3.38 -0.35 0.00 0.00 -0.15 -1.31 121.76 125.46 2x58 s ALA 92 Ca 0.18 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 2x58 s ALA 92 Cb -0.16 -2.42 0.06 0.00 0.00 0.00 0.00 23.12 20.60 2x58 s ALA 92 CO 0.09 -0.76 0.12 0.42 0.00 0.00 0.00 175.76 175.64 2x58 s ILE 93 N 1.68 3.62 -0.17 0.00 1.01 0.33 -4.29 121.20 123.38 2x58 s ILE 93 Ca 0.06 -1.36 -0.09 0.00 0.00 0.00 0.00 60.65 59.26 2x58 s ILE 93 Cb -0.17 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 2x58 s ILE 93 CO 0.08 -0.29 0.13 -1.58 0.00 0.00 0.00 174.94 173.29 2x58 s GLN 94 N 1.34 3.88 7.37 2.79 2.00 -1.26 -2.04 119.66 133.74 2x58 s GLN 94 Ca -0.00 -0.18 0.00 0.00 -2.00 0.00 0.00 55.36 53.18 2x58 s GLN 94 Cb -0.21 -3.33 0.00 0.00 0.80 0.00 0.00 33.01 30.28 2x58 s GLN 94 CO 0.01 0.50 0.00 0.41 -0.50 0.00 0.00 175.29 175.71 2x58 n GLY 95 N 2.89 2.14 3.37 2.59 0.00 -1.23 -0.04 105.19 114.90 2x58 n GLY 95 Ca -0.18 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 2x58 n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x58 s VAL 96 N 0.00 2.63 -0.37 1.61 1.01 -1.26 -1.36 120.40 122.65 2x58 s VAL 96 Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2x58 s VAL 96 Cb 0.00 -2.01 0.12 0.00 0.00 0.00 0.00 36.38 34.48 2x58 s VAL 96 CO 0.00 0.57 0.16 0.00 0.00 0.00 0.00 175.10 175.83 2x58 s ALA 97 N -0.32 1.91 0.15 5.51 0.00 -0.72 -0.78 121.76 127.51 2x58 s ALA 97 Ca 0.02 -2.16 0.11 0.00 0.00 0.00 0.00 51.96 49.93 2x58 s ALA 97 Cb -0.13 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 2x58 s ALA 97 CO 0.02 -1.86 -0.25 -0.51 0.00 0.00 0.00 175.76 173.17 2x58 s LEU 98 N 0.99 2.37 0.00 0.00 1.43 -0.20 -3.02 118.68 120.25 2x58 s LEU 98 Ca 0.14 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2x58 s LEU 98 Cb -0.21 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.87 2x58 s LEU 98 CO -0.12 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2x58 n GLY 99 N 0.64 2.67 0.00 -3.19 0.00 -0.55 0.11 105.19 104.88 2x58 n GLY 99 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2x58 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x58 n GLY 100 N 0.00 -0.27 0.13 -0.02 0.00 -1.26 -0.87 105.19 102.91 2x58 n GLY 100 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2x58 n GLY 100 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2x58 h GLY 101 N 0.00 0.32 1.02 -0.02 0.00 0.56 -1.71 103.07 103.24 2x58 h GLY 101 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 2x58 h GLY 101 CO 0.00 0.72 0.38 -2.00 0.00 0.00 0.00 176.54 175.64 2x58 h LEU 102 N -0.14 0.98 -0.27 3.11 5.85 -1.00 -1.03 115.31 122.81 2x58 h LEU 102 Ca -0.34 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 2x58 h LEU 102 Cb 1.89 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 2x58 h LEU 102 CO 0.09 0.82 0.16 -0.33 -0.34 0.00 0.00 178.44 178.84 2x58 h GLU 103 N 1.06 0.37 -0.93 1.25 5.08 -1.35 0.13 114.58 120.18 2x58 h GLU 103 Ca 0.26 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.72 2x58 h GLU 103 Cb 0.09 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.19 2x58 h GLU 103 CO -0.04 0.29 0.59 1.25 -1.00 0.00 0.00 179.01 180.11 2x58 h LEU 104 N 0.34 0.75 -0.06 1.33 5.85 -1.06 -2.04 115.31 120.43 2x58 h LEU 104 Ca 0.10 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2x58 h LEU 104 Cb 0.02 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2x58 h LEU 104 CO -0.02 0.38 -0.04 0.00 -0.34 0.00 0.00 178.44 178.43 2x58 h ALA 105 N 1.58 0.08 -0.26 1.25 0.00 0.20 -2.12 119.26 120.00 2x58 h ALA 105 Ca 0.47 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2x58 h ALA 105 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2x58 h ALA 105 CO -0.23 -0.15 0.49 -0.07 0.00 0.00 0.00 179.25 179.28 2x58 h LEU 106 N -0.27 0.00 -0.52 0.00 3.38 -0.49 0.34 115.31 117.75 2x58 h LEU 106 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2x58 h LEU 106 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2x58 h LEU 106 CO 0.01 0.00 -0.47 1.23 0.09 0.00 0.00 178.44 179.30 2x58 h GLY 107 N 0.00 0.00 -1.47 0.83 0.00 -0.67 -3.45 103.07 98.32 2x58 h GLY 107 Ca 0.12 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.95 2x58 h GLY 107 CO -0.00 0.00 0.38 0.00 0.00 0.00 0.00 176.54 176.92 2x58 h HIS 109 N -0.21 0.29 -4.01 0.00 -0.00 -1.31 -3.46 115.15 106.45 2x58 h HIS 109 Ca -0.45 -0.21 -0.41 0.00 -0.00 0.00 0.00 60.37 59.31 2x58 h HIS 109 Cb 1.21 -0.01 -0.24 0.00 -0.00 0.00 0.00 27.41 28.36 2x58 h HIS 109 CO 0.62 1.15 -0.78 0.71 -0.00 0.00 0.00 177.93 179.64 2x58 s TYR 110 N -2.71 1.08 -0.24 2.45 2.02 -0.69 -4.89 117.35 114.37 2x58 s TYR 110 Ca -0.02 -0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 56.30 2x58 s TYR 110 Cb 0.08 -0.64 0.07 0.00 -0.40 0.00 0.00 41.96 41.08 2x58 s TYR 110 CO 0.86 0.02 0.04 1.03 -1.57 0.00 0.00 175.55 175.92 2x58 s ARG 111 N -1.18 0.88 -0.13 -0.62 0.52 -1.26 -0.21 118.95 116.95 2x58 s ARG 111 Ca -0.00 -0.76 -0.00 0.00 -0.52 0.00 0.00 55.73 54.44 2x58 s ARG 111 Cb -0.08 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.20 2x58 s ARG 111 CO 0.01 -0.75 -0.12 0.42 0.02 0.00 0.00 175.30 174.88 2x58 s ILE 112 N 1.68 3.14 0.01 1.52 1.09 -0.43 0.80 121.20 129.01 2x58 s ILE 112 Ca 0.02 -0.63 0.02 0.00 -1.10 0.00 0.00 60.65 58.95 2x58 s ILE 112 Cb -0.18 -2.32 -0.01 0.00 -1.06 0.00 0.00 42.46 38.90 2x58 s ILE 112 CO -0.13 0.53 -0.05 0.00 -0.10 0.00 0.00 174.94 175.18 2x58 s ALA 113 N 0.29 0.42 0.64 9.38 0.00 -0.27 -0.52 121.76 131.71 2x58 s ALA 113 Ca -0.09 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.30 2x58 s ALA 113 Cb -0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 2x58 s ALA 113 CO 0.05 0.04 1.09 -1.71 0.00 0.00 0.00 175.76 175.23 2x58 n ASN 114 N 2.43 1.20 0.25 0.00 2.85 -0.87 -1.67 115.26 119.45 2x58 n ASN 114 Ca -0.16 0.78 0.11 0.00 -0.11 0.00 0.00 54.58 55.20 2x58 n ASN 114 Cb 0.57 -1.46 0.64 0.00 1.24 0.00 0.00 39.78 40.77 2x58 n ASN 114 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2x58 h ALA 115 N 0.34 1.26 -0.70 5.20 0.00 -0.91 -2.46 119.26 122.00 2x58 h ALA 115 Ca -0.49 -0.15 -0.37 0.00 0.00 0.00 0.00 54.91 53.89 2x58 h ALA 115 Cb 1.35 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.90 2x58 h ALA 115 CO 0.51 0.21 0.30 0.36 0.00 0.00 0.00 179.25 180.62 2x58 n LYS 116 N -3.67 2.09 -3.30 0.00 2.85 -1.26 -4.26 118.16 110.62 2x58 n LYS 116 Ca -0.02 -3.13 -0.27 0.00 -1.05 0.00 0.00 58.31 53.85 2x58 n LYS 116 Cb 0.29 -2.02 -0.02 0.00 -0.65 0.00 0.00 35.03 32.63 2x58 n LYS 116 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2x58 s ALA 117 N -3.31 3.64 -0.01 0.58 0.00 -0.93 -4.72 121.76 117.01 2x58 s ALA 117 Ca 0.52 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.83 2x58 s ALA 117 Cb 0.45 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.31 2x58 s ALA 117 CO 0.05 0.11 -0.11 1.03 0.00 0.00 0.00 175.76 176.84 2x58 s ARG 118 N -3.91 0.90 0.16 0.00 0.52 -0.47 -1.37 118.95 114.79 2x58 s ARG 118 Ca 0.43 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 55.28 2x58 s ARG 118 Cb -0.10 -0.87 -0.05 0.00 0.52 0.00 0.00 34.95 34.45 2x58 s ARG 118 CO 0.33 0.24 -0.06 0.14 0.02 0.00 0.00 175.30 175.97 2x58 s VAL 119 N -0.25 0.98 0.00 3.52 -7.23 -0.37 -1.76 120.40 115.29 2x58 s VAL 119 Ca 0.04 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 2x58 s VAL 119 Cb -0.04 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.92 2x58 s VAL 119 CO -0.00 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 174.76 2x58 n GLY 120 N -0.23 -0.85 2.61 2.32 0.00 -1.17 0.71 105.19 108.59 2x58 n GLY 120 Ca -0.09 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.48 2x58 n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x58 s LEU 121 N 0.00 2.47 -0.06 0.99 1.43 -1.26 -1.48 118.68 120.77 2x58 s LEU 121 Ca 0.00 -2.98 0.07 0.00 -1.03 0.00 0.00 54.13 50.19 2x58 s LEU 121 Cb 0.00 -0.87 0.31 0.00 0.03 0.00 0.00 46.19 45.66 2x58 s LEU 121 CO 0.00 -0.20 1.09 -0.81 0.23 0.00 0.00 176.35 176.66 2x58 n PRO 122 N 3.03 2.24 -0.25 1.29 -0.04 -1.26 -4.23 135.00 135.78 2x58 n PRO 122 Ca 0.19 -1.21 0.04 0.00 -0.04 0.00 0.00 63.50 62.48 2x58 n PRO 122 Cb 0.40 -1.58 0.17 0.00 -0.04 0.00 0.00 33.50 32.44 2x58 n PRO 122 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2x58 h GLU 123 N 1.68 0.44 -1.00 0.54 3.07 -1.90 0.26 114.58 117.67 2x58 h GLU 123 Ca 0.00 -0.03 0.21 0.00 -0.50 0.00 0.00 59.36 59.04 2x58 h GLU 123 Cb 0.83 -0.10 -0.11 0.00 -0.84 0.00 0.00 28.75 28.52 2x58 h GLU 123 CO 0.12 0.29 0.61 -0.24 -1.40 0.00 0.00 179.01 178.39 2x58 h VAL 124 N 0.46 0.64 -0.16 3.13 3.04 -1.61 0.23 116.25 121.98 2x58 h VAL 124 Ca 0.40 -0.24 0.05 0.00 -1.01 0.00 0.00 66.70 65.89 2x58 h VAL 124 Cb 0.57 -0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 29.73 2x58 h VAL 124 CO -0.38 0.13 0.24 0.74 -1.01 0.00 0.00 177.57 177.29 2x58 h THR 125 N 0.70 0.31 -0.16 3.17 2.02 -0.75 -0.04 112.91 118.16 2x58 h THR 125 Ca 0.60 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.78 2x58 h THR 125 Cb 1.02 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2x58 h THR 125 CO -0.41 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.66 2x58 n LEU 126 N -3.53 2.95 0.00 2.58 4.77 0.78 -4.84 117.00 119.71 2x58 n LEU 126 Ca 0.01 -2.67 0.00 0.00 -0.03 0.00 0.00 56.01 53.33 2x58 n LEU 126 Cb 0.35 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2x58 n LEU 126 CO 0.24 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 2x58 n GLY 127 N -0.57 0.80 0.00 -0.72 0.00 -0.03 -4.38 105.19 100.30 2x58 n GLY 127 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2x58 n GLY 127 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2x58 n ILE 128 N -2.23 0.00 -4.16 -0.61 -5.35 -1.05 -4.52 119.36 101.43 2x58 n ILE 128 Ca 0.00 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.37 2x58 n ILE 128 Cb 0.00 -0.14 -0.10 0.00 -1.74 0.00 0.00 39.64 37.66 2x58 n ILE 128 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 2x58 s LEU 129 N 0.00 2.50 -0.49 7.28 0.05 -1.26 -2.00 118.68 124.76 2x58 s LEU 129 Ca 0.00 -0.99 -0.28 0.00 0.05 0.00 0.00 54.13 52.91 2x58 s LEU 129 Cb 0.00 -0.07 -0.09 0.00 -2.05 0.00 0.00 46.19 43.99 2x58 s LEU 129 CO 0.00 -0.46 2.40 -2.65 -0.55 0.00 0.00 176.35 175.09 2x58 n PRO 130 N 0.00 1.08 -0.56 1.48 -0.02 -1.26 -4.79 135.00 130.93 2x58 n PRO 130 Ca -0.12 0.10 0.07 0.00 -2.02 0.00 0.00 63.50 61.53 2x58 n PRO 130 Cb 0.61 -3.14 0.28 0.00 -0.02 0.00 0.00 33.50 31.23 2x58 n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x58 n GLY 131 N 6.07 3.92 2.37 -1.23 0.00 -1.26 -3.68 105.19 111.39 2x58 n GLY 131 Ca 0.39 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 2x58 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x58 n ALA 132 N -0.37 5.03 -0.39 4.61 0.00 -1.26 -4.48 120.51 123.65 2x58 n ALA 132 Ca 0.24 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.50 2x58 n ALA 132 Cb 0.97 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2x58 n ALA 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2x58 n ARG 133 N -0.53 0.00 -0.23 0.00 5.12 -1.26 -4.68 116.66 115.08 2x58 n ARG 133 Ca 0.40 0.00 0.19 0.00 -1.93 0.00 0.00 57.85 56.51 2x58 n ARG 133 Cb 0.74 -1.30 0.52 0.00 -1.16 0.00 0.00 32.46 31.25 2x58 n ARG 133 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2x58 h GLY 134 N 0.00 0.83 2.00 -0.13 0.00 -1.91 0.32 103.07 104.18 2x58 h GLY 134 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 2x58 h GLY 134 CO 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 176.30 2x58 h THR 135 N 0.40 0.45 0.00 4.70 1.03 -1.90 -0.93 112.91 116.66 2x58 h THR 135 Ca 0.46 -1.47 -0.37 0.00 -0.01 0.00 0.00 66.41 65.02 2x58 h THR 135 Cb 1.14 2.08 -0.07 0.00 -1.07 0.00 0.00 68.15 70.24 2x58 h THR 135 CO -0.17 0.24 -2.41 0.00 -0.01 0.00 0.00 175.52 173.17 2x58 n GLN 136 N -3.21 0.65 0.03 0.00 1.13 -0.10 -4.43 117.38 111.46 2x58 n GLN 136 Ca 0.02 0.12 -0.13 0.00 -1.94 0.00 0.00 57.00 55.08 2x58 n GLN 136 Cb 0.57 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.33 2x58 n GLN 136 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2x58 h LEU 137 N 0.00 -0.09 -0.31 1.08 3.38 -0.51 -3.32 115.31 115.54 2x58 h LEU 137 Ca -0.55 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.10 2x58 h LEU 137 Cb 1.92 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.63 2x58 h LEU 137 CO -0.07 0.36 -0.11 0.25 0.09 0.00 0.00 178.44 178.95 2x58 h LEU 138 N -0.57 -0.40 -2.05 1.67 5.85 -1.36 0.65 115.31 119.11 2x58 h LEU 138 Ca -0.01 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.93 2x58 h LEU 138 Cb 0.47 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2x58 h LEU 138 CO 0.02 -0.15 0.32 -0.65 -0.34 0.00 0.00 178.44 177.64 2x58 h PRO 139 N -0.06 0.00 0.00 5.25 0.11 -1.78 0.59 132.00 136.11 2x58 h PRO 139 Ca 0.15 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.19 2x58 h PRO 139 Cb 0.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 2x58 h PRO 139 CO -0.35 0.00 -0.36 0.00 -0.21 0.00 0.00 178.00 177.08 2x58 h ARG 140 N 0.00 0.00 0.10 1.05 3.08 0.22 0.00 114.38 118.84 2x58 h ARG 140 Ca 0.18 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.91 2x58 h ARG 140 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 2x58 h ARG 140 CO -0.00 0.36 -1.71 0.28 -1.07 0.00 0.00 179.97 177.82 2x58 h VAL 141 N 0.00 0.79 -0.00 2.04 2.07 0.51 -3.42 116.25 118.24 2x58 h VAL 141 Ca -0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 2x58 h VAL 141 Cb 0.76 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2x58 h VAL 141 CO 0.05 0.74 -0.02 1.33 0.02 0.00 0.00 177.57 179.69 2x58 n VAL 142 N -3.77 0.00 0.00 2.57 0.24 -0.64 -4.82 118.33 111.90 2x58 n VAL 142 Ca -0.30 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 2x58 n VAL 142 Cb 0.95 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 34.38 2x58 n VAL 142 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2x58 n GLY 143 N 0.31 -1.09 0.24 7.63 0.00 -0.01 -4.40 105.19 107.87 2x58 n GLY 143 Ca 0.02 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 2x58 n GLY 143 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2x58 h VAL 144 N 0.00 0.55 -0.85 1.61 2.07 -1.86 -1.87 116.25 115.91 2x58 h VAL 144 Ca 0.00 -0.46 0.07 0.00 0.82 0.00 0.00 66.70 67.13 2x58 h VAL 144 Cb 0.00 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 2x58 h VAL 144 CO 0.00 0.08 0.51 -0.65 0.02 0.00 0.00 177.57 177.53 2x58 h PRO 145 N -0.82 0.88 -0.55 1.57 0.11 -1.98 0.12 132.00 131.34 2x58 h PRO 145 Ca -0.05 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.90 2x58 h PRO 145 Cb 0.54 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 2x58 h PRO 145 CO 0.09 0.58 -0.05 0.28 -0.21 0.00 0.00 178.00 178.69 2x58 h VAL 146 N 0.91 1.27 -0.04 3.15 2.07 -1.76 -2.03 116.25 119.81 2x58 h VAL 146 Ca 0.38 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 2x58 h VAL 146 Cb 0.24 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2x58 h VAL 146 CO -0.20 0.42 0.02 0.00 0.02 0.00 0.00 177.57 177.84 2x58 h ALA 147 N 0.94 0.05 -0.89 1.67 0.00 -0.03 -0.66 119.26 120.35 2x58 h ALA 147 Ca 0.15 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.21 2x58 h ALA 147 Cb 0.61 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.21 2x58 h ALA 147 CO 0.04 -0.42 -0.20 -0.07 0.00 0.00 0.00 179.25 178.60 2x58 h LEU 148 N -0.00 -0.79 0.33 0.00 3.38 -0.83 0.83 115.31 118.23 2x58 h LEU 148 Ca 0.01 0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 2x58 h LEU 148 Cb 0.06 0.54 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2x58 h LEU 148 CO -0.00 -0.29 -0.16 -0.78 0.09 0.00 0.00 178.44 177.30 2x58 h ASP 149 N 0.00 -0.37 -0.76 -0.43 3.58 -0.75 -0.94 116.42 116.75 2x58 h ASP 149 Ca 0.44 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.76 2x58 h ASP 149 Cb 0.68 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.80 2x58 h ASP 149 CO -0.91 -0.16 0.26 -0.07 -2.88 0.00 0.00 179.24 175.49 2x58 h LEU 150 N -0.57 1.08 0.11 2.28 3.38 -0.12 -2.81 115.31 118.67 2x58 h LEU 150 Ca -0.04 -0.20 -0.29 0.00 0.09 0.00 0.00 57.88 57.44 2x58 h LEU 150 Cb 0.42 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2x58 h LEU 150 CO 0.07 0.99 -1.41 0.40 0.09 0.00 0.00 178.44 178.58 2x58 h ILE 151 N 1.12 1.28 -0.04 1.22 2.04 -0.89 -1.42 117.51 120.82 2x58 h ILE 151 Ca 0.25 -2.92 -0.17 0.00 1.00 0.00 0.00 64.86 63.02 2x58 h ILE 151 Cb 0.27 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 2x58 h ILE 151 CO -0.01 0.84 -0.72 0.71 0.00 0.00 0.00 178.15 178.96 2x58 h THR 152 N 0.06 1.43 0.08 -0.27 1.35 -1.20 -3.34 112.91 111.01 2x58 h THR 152 Ca -0.20 -2.24 -0.32 0.00 -0.55 0.00 0.00 66.41 63.10 2x58 h THR 152 Cb 1.99 2.19 -0.03 0.00 -1.73 0.00 0.00 68.15 70.57 2x58 h THR 152 CO 0.17 0.66 -1.78 0.77 -0.25 0.00 0.00 175.52 175.09 2x58 h SER 153 N 0.16 0.25 -0.43 5.36 4.64 -1.61 -3.45 113.55 118.46 2x58 h SER 153 Ca -0.02 -0.49 -0.11 0.00 -0.47 0.00 0.00 61.79 60.69 2x58 h SER 153 Cb 1.28 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 2x58 h SER 153 CO 0.11 1.44 -0.11 0.61 -0.87 0.00 0.00 176.83 178.01 2x58 n GLY 154 N 1.75 0.58 3.78 -0.77 0.00 -0.53 -4.86 105.19 105.13 2x58 n GLY 154 Ca -0.22 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 2x58 n GLY 154 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x58 s LYS 155 N -3.06 3.34 0.42 1.61 -2.85 -1.24 -4.35 119.74 113.61 2x58 s LYS 155 Ca 0.00 1.55 -0.10 0.00 -1.00 0.00 0.00 55.97 56.42 2x58 s LYS 155 Cb 0.00 -2.01 -0.06 0.00 -2.06 0.00 0.00 37.83 33.70 2x58 s LYS 155 CO 0.00 -0.85 0.79 0.71 0.10 0.00 0.00 175.35 176.10 2x58 s TYR 156 N -1.87 3.48 0.06 1.78 4.12 -1.26 -4.21 117.35 119.44 2x58 s TYR 156 Ca 0.71 1.05 0.07 0.00 0.02 0.00 0.00 57.07 58.93 2x58 s TYR 156 Cb -0.22 -2.46 -0.03 0.00 -1.52 0.00 0.00 41.96 37.73 2x58 s TYR 156 CO 0.28 -0.15 -0.20 -0.51 0.02 0.00 0.00 175.55 174.99 2x58 s LEU 157 N -3.97 2.19 0.56 -1.29 1.02 0.22 -4.94 118.68 112.47 2x58 s LEU 157 Ca 0.51 -0.55 -0.14 0.00 0.02 0.00 0.00 54.13 53.97 2x58 s LEU 157 Cb -0.10 -0.94 -0.06 0.00 0.02 0.00 0.00 46.19 45.11 2x58 s LEU 157 CO 0.33 0.13 1.00 -0.94 0.02 0.00 0.00 176.35 176.89 2x58 s SER 158 N -1.32 6.44 0.29 2.29 1.04 -1.26 -1.24 113.70 119.94 2x58 s SER 158 Ca 0.07 1.48 0.02 0.00 0.48 0.00 0.00 55.95 58.00 2x58 s SER 158 Cb -0.09 -2.48 0.73 0.00 0.10 0.00 0.00 66.02 64.27 2x58 s SER 158 CO 0.02 -0.71 1.62 0.00 0.98 0.00 0.00 173.24 175.15 2x58 h ALA 159 N 0.35 1.23 -0.00 5.32 0.00 -1.40 -2.03 119.26 122.73 2x58 h ALA 159 Ca -0.46 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2x58 h ALA 159 Cb 1.19 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 2x58 h ALA 159 CO 0.62 -0.52 -0.00 0.22 0.00 0.00 0.00 179.25 179.56 2x58 h ASP 160 N 0.12 0.01 0.61 0.00 3.58 -1.83 -0.36 116.42 118.55 2x58 h ASP 160 Ca 0.57 -0.51 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 2x58 h ASP 160 Cb 1.17 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.21 2x58 h ASP 160 CO -0.75 0.51 -0.14 1.05 -2.88 0.00 0.00 179.24 177.03 2x58 h GLU 161 N -0.50 0.00 -0.18 0.28 4.11 -1.81 0.49 114.58 116.98 2x58 h GLU 161 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 2x58 h GLU 161 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2x58 h GLU 161 CO 0.00 0.14 -0.18 0.00 0.07 0.00 0.00 179.01 179.04 2x58 h ALA 162 N 1.86 0.26 0.27 1.06 0.00 -0.99 -2.57 119.26 119.15 2x58 h ALA 162 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2x58 h ALA 162 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2x58 h ALA 162 CO 0.02 0.18 -0.13 1.25 0.00 0.00 0.00 179.25 180.56 2x58 h LEU 163 N 0.09 -0.31 -0.02 0.00 5.85 -0.02 -1.02 115.31 119.88 2x58 h LEU 163 Ca 0.03 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2x58 h LEU 163 Cb 0.72 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2x58 h LEU 163 CO 0.04 -0.18 0.00 -2.11 -0.34 0.00 0.00 178.44 175.86 2x58 n ARG 164 N -5.23 0.00 -0.01 1.25 1.85 0.06 -1.89 116.66 112.71 2x58 n ARG 164 Ca -0.10 0.42 0.09 0.00 -1.00 0.00 0.00 57.85 57.26 2x58 n ARG 164 Cb 0.18 -1.51 -0.12 0.00 -1.05 0.00 0.00 32.46 29.96 2x58 n ARG 164 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2x58 n LEU 165 N -1.51 0.28 0.00 2.89 7.94 -0.49 -4.97 117.00 121.14 2x58 n LEU 165 Ca 0.01 -0.17 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 2x58 n LEU 165 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2x58 n LEU 165 CO 0.04 0.07 0.00 0.61 -1.11 0.00 0.00 177.39 177.00 2x58 n GLY 166 N 1.46 1.97 0.24 -3.96 0.00 -0.61 -4.62 105.19 99.68 2x58 n GLY 166 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2x58 n GLY 166 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2x58 h ILE 167 N 0.00 1.28 -2.52 -0.61 2.04 -1.58 -3.43 117.51 112.70 2x58 h ILE 167 Ca 0.00 -1.42 -0.54 0.00 1.00 0.00 0.00 64.86 63.90 2x58 h ILE 167 Cb 0.00 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 2x58 h ILE 167 CO 0.00 0.47 -0.54 -0.76 0.00 0.00 0.00 178.15 177.32 2x58 s LEU 168 N -9.03 3.89 -0.22 1.44 1.43 -1.21 -4.83 118.68 110.15 2x58 s LEU 168 Ca -0.12 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2x58 s LEU 168 Cb 0.10 -2.47 -0.20 0.00 0.03 0.00 0.00 46.19 43.66 2x58 s LEU 168 CO 0.85 0.03 -0.06 0.47 0.23 0.00 0.00 176.35 177.87 2x58 n ASP 169 N -0.66 1.62 -3.72 2.29 8.00 0.24 -4.55 116.55 119.77 2x58 n ASP 169 Ca -0.08 -0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.23 2x58 n ASP 169 Cb 0.56 -0.22 -0.14 0.00 -0.02 0.00 0.00 41.12 41.29 2x58 n ASP 169 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x58 s ALA 170 N -2.52 -0.32 -0.17 2.24 0.00 -0.98 -5.03 121.76 114.98 2x58 s ALA 170 Ca -0.28 0.74 -0.08 0.00 0.00 0.00 0.00 51.96 52.34 2x58 s ALA 170 Cb 0.08 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2x58 s ALA 170 CO 0.67 -0.30 0.11 0.08 0.00 0.00 0.00 175.76 176.32 2x58 s VAL 171 N 1.57 5.22 0.10 0.00 1.01 -1.26 -1.11 120.40 125.93 2x58 s VAL 171 Ca -0.05 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.07 2x58 s VAL 171 Cb -0.11 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2x58 s VAL 171 CO -0.07 0.50 -0.09 0.68 0.00 0.00 0.00 175.10 176.13 2x58 s VAL 172 N -0.08 0.89 -1.22 2.92 -7.23 -0.67 -4.94 120.40 110.06 2x58 s VAL 172 Ca 0.09 -1.74 0.29 0.00 -1.81 0.00 0.00 61.98 58.81 2x58 s VAL 172 Cb -0.12 -1.46 0.35 0.00 0.56 0.00 0.00 36.38 35.71 2x58 s VAL 172 CO 0.00 -0.65 1.93 0.29 -0.31 0.00 0.00 175.10 176.36 2x58 n LYS 173 N 0.36 0.22 -1.98 4.82 5.02 -1.26 -0.23 118.16 125.11 2x58 n LYS 173 Ca -0.15 -0.02 -0.03 0.00 -2.02 0.00 0.00 58.31 56.09 2x58 n LYS 173 Cb 0.59 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2x58 n LYS 173 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2x58 n SER 174 N -1.37 1.66 -4.66 4.39 3.41 -1.26 -4.79 113.62 111.01 2x58 n SER 174 Ca 0.10 -1.18 -0.61 0.00 -0.26 0.00 0.00 58.87 56.92 2x58 n SER 174 Cb 0.30 0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.18 2x58 n SER 174 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2x58 n ASP 175 N -1.48 1.30 0.11 4.04 2.03 -1.26 -4.64 116.55 116.64 2x58 n ASP 175 Ca -0.01 1.14 -0.04 0.00 0.52 0.00 0.00 54.79 56.40 2x58 n ASP 175 Cb 0.06 -1.00 0.08 0.00 -0.72 0.00 0.00 41.12 39.54 2x58 n ASP 175 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2x58 h PRO 176 N 5.04 0.06 -0.48 -0.67 0.13 -1.91 -2.88 132.00 131.29 2x58 h PRO 176 Ca -0.47 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.51 2x58 h PRO 176 Cb 1.37 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 2x58 h PRO 176 CO 0.87 0.76 -0.08 0.28 -0.23 0.00 0.00 178.00 179.60 2x58 h VAL 177 N 0.04 1.26 0.51 1.56 2.07 -1.89 -1.31 116.25 118.49 2x58 h VAL 177 Ca -0.01 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 2x58 h VAL 177 Cb 1.28 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2x58 h VAL 177 CO 0.10 0.40 -0.25 -0.08 0.02 0.00 0.00 177.57 177.76 2x58 h GLU 178 N 0.77 -0.66 -0.48 1.57 4.81 -1.94 -1.90 114.58 116.75 2x58 h GLU 178 Ca 0.13 0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.55 2x58 h GLU 178 Cb 0.57 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 2x58 h GLU 178 CO 0.03 -0.39 0.35 1.49 -0.73 0.00 0.00 179.01 179.76 2x58 h GLU 179 N -0.80 0.01 -0.23 1.92 4.57 -1.48 -2.04 114.58 116.54 2x58 h GLU 179 Ca -0.07 -0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.91 2x58 h GLU 179 Cb 0.57 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2x58 h GLU 179 CO 0.12 0.01 -0.63 0.00 -1.18 0.00 0.00 179.01 177.32 2x58 h ALA 180 N 1.76 0.46 -0.65 2.92 0.00 -0.90 -1.92 119.26 120.93 2x58 h ALA 180 Ca 0.23 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2x58 h ALA 180 Cb 0.91 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2x58 h ALA 180 CO -0.00 0.69 0.43 0.82 0.00 0.00 0.00 179.25 181.18 2x58 h ILE 181 N 0.58 1.15 -0.05 0.00 5.03 -0.60 0.10 117.51 123.72 2x58 h ILE 181 Ca -0.01 -0.29 -0.12 0.00 -0.12 0.00 0.00 64.86 64.32 2x58 h ILE 181 Cb 1.23 0.22 0.01 0.00 -3.03 0.00 0.00 36.82 35.25 2x58 h ILE 181 CO 0.13 0.16 -0.44 0.11 -0.68 0.00 0.00 178.15 177.42 2x58 h LYS 182 N 0.85 0.40 -0.32 2.37 1.57 -1.46 -3.22 116.57 116.76 2x58 h LYS 182 Ca 0.24 -0.35 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2x58 h LYS 182 Cb -0.06 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 2x58 h LYS 182 CO -0.06 1.01 -0.04 0.35 -0.57 0.00 0.00 179.45 180.14 2x58 h PHE 183 N -0.09 -0.09 -0.99 -1.35 3.57 -0.78 -1.72 116.94 115.49 2x58 h PHE 183 Ca -0.04 0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.69 2x58 h PHE 183 Cb 1.12 0.09 -0.11 0.00 2.79 0.00 0.00 35.95 39.83 2x58 h PHE 183 CO 0.13 -0.10 0.59 0.00 -2.23 0.00 0.00 178.31 176.71 2x58 h ALA 184 N 1.29 1.68 -0.58 2.41 0.00 -0.85 0.11 119.26 123.33 2x58 h ALA 184 Ca 0.15 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2x58 h ALA 184 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2x58 h ALA 184 CO -0.29 -0.14 0.25 1.96 0.00 0.00 0.00 179.25 181.03 2x58 h GLN 185 N 0.68 0.86 0.00 0.00 1.08 -1.33 -1.30 115.11 115.10 2x58 h GLN 185 Ca 0.60 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.65 2x58 h GLN 185 Cb 1.01 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 2x58 h GLN 185 CO -0.42 0.72 0.00 0.36 -0.95 0.00 0.00 178.83 178.54 2x58 n LYS 186 N -4.50 0.75 0.00 1.46 2.85 0.37 -3.01 118.16 116.07 2x58 n LYS 186 Ca 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 2x58 n LYS 186 Cb 0.15 -1.39 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 2x58 n LYS 186 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2x58 n ILE 187 N -0.89 0.15 -0.10 0.58 -6.64 -1.14 -4.89 119.36 106.43 2x58 n ILE 187 Ca 0.14 -0.17 0.09 0.00 -1.77 0.00 0.00 62.75 61.04 2x58 n ILE 187 Cb 0.06 1.10 0.45 0.00 -1.44 0.00 0.00 39.64 39.81 2x58 n ILE 187 CO 0.00 0.00 0.00 -0.29 -1.77 0.00 0.00 176.55 174.49 2x58 h ILE 188 N 2.09 0.96 0.00 7.28 2.10 -1.14 -2.85 117.51 125.94 2x58 h ILE 188 Ca 0.00 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.76 2x58 h ILE 188 Cb 0.80 0.39 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 2x58 h ILE 188 CO 0.00 0.09 -1.33 0.47 -1.08 0.00 0.00 178.15 176.31 2x58 n ASP 189 N -4.48 0.74 -4.44 2.19 8.00 -1.26 -4.89 116.55 112.42 2x58 n ASP 189 Ca 0.09 -0.53 -0.35 0.00 0.71 0.00 0.00 54.79 54.71 2x58 n ASP 189 Cb 0.29 1.39 0.08 0.00 -0.02 0.00 0.00 41.12 42.86 2x58 n ASP 189 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2x58 n LYS 190 N -1.77 0.14 -2.54 -1.24 5.02 -1.08 -4.93 118.16 111.77 2x58 n LYS 190 Ca 0.00 0.09 -0.40 0.00 -2.02 0.00 0.00 58.31 55.98 2x58 n LYS 190 Cb 0.39 -1.80 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 2x58 n LYS 190 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2x58 s PRO 191 N -2.95 4.67 0.17 1.97 0.02 -1.26 -4.96 135.00 132.67 2x58 s PRO 191 Ca 0.62 1.73 -0.06 0.00 0.02 0.00 0.00 61.00 63.31 2x58 s PRO 191 Cb -0.31 -3.23 0.05 0.00 0.02 0.00 0.00 34.50 31.04 2x58 s PRO 191 CO 0.61 0.24 1.48 0.82 -0.33 0.00 0.00 177.00 179.82 2x58 h ILE 192 N 3.25 1.30 -0.98 2.83 2.04 -1.95 -3.38 117.51 120.62 2x58 h ILE 192 Ca -0.46 -1.74 0.27 0.00 1.00 0.00 0.00 64.86 63.93 2x58 h ILE 192 Cb 1.21 1.68 -0.18 0.00 -0.74 0.00 0.00 36.82 38.79 2x58 h ILE 192 CO 0.68 0.55 0.05 -0.08 0.00 0.00 0.00 178.15 179.36 2x58 h GLU 193 N 0.53 0.02 0.00 2.37 4.57 -1.95 0.39 114.58 120.50 2x58 h GLU 193 Ca 0.02 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2x58 h GLU 193 Cb 1.09 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2x58 h GLU 193 CO 0.11 0.01 0.00 -2.30 -1.18 0.00 0.00 179.01 175.65 2x58 n PRO 194 N -5.47 0.17 0.00 0.92 -0.02 -1.26 -2.16 135.00 127.19 2x58 n PRO 194 Ca 0.23 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.30 2x58 n PRO 194 Cb 0.77 -1.88 0.23 0.00 -0.02 0.00 0.00 33.50 32.60 2x58 n PRO 194 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2x58 n ARG 195 N -2.22 0.01 -2.47 -0.52 5.12 0.14 -4.78 116.66 111.94 2x58 n ARG 195 Ca 0.01 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.51 2x58 n ARG 195 Cb 0.18 -1.51 -0.02 0.00 -1.16 0.00 0.00 32.46 29.95 2x58 n ARG 195 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2x58 s ARG 196 N -3.01 3.54 0.34 5.56 0.52 -0.92 -4.63 118.95 120.35 2x58 s ARG 196 Ca 0.11 0.60 0.06 0.00 -0.52 0.00 0.00 55.73 55.97 2x58 s ARG 196 Cb 0.17 -4.01 0.60 0.00 0.52 0.00 0.00 34.95 32.23 2x58 s ARG 196 CO 0.71 -1.62 1.83 0.82 0.02 0.00 0.00 175.30 177.05 2x58 h ILE 197 N 6.33 1.22 0.00 1.52 2.04 -1.86 -3.10 117.51 123.66 2x58 h ILE 197 Ca -0.26 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.56 2x58 h ILE 197 Cb 1.08 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 2x58 h ILE 197 CO 1.14 0.32 -0.19 2.19 0.00 0.00 0.00 178.15 181.60 2x58 h PHE 198 N 0.34 0.00 0.00 1.37 -5.15 -1.95 -0.15 116.94 111.41 2x58 h PHE 198 Ca 0.06 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.83 2x58 h PHE 198 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.67 2x58 h PHE 198 CO 0.01 0.19 -0.09 0.09 -2.00 0.00 0.00 178.31 176.51 2x58 n ASN 199 N -3.63 0.19 -4.75 -0.68 3.02 -1.17 -4.81 115.26 103.43 2x58 n ASN 199 Ca -0.01 0.38 -0.40 0.00 -0.03 0.00 0.00 54.58 54.52 2x58 n ASN 199 Cb 0.32 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 2x58 n ASN 199 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2x58 s LYS 200 N -3.02 4.81 0.76 3.52 1.02 -0.07 -5.05 119.74 121.71 2x58 s LYS 200 Ca 0.13 1.45 -0.11 0.00 0.02 0.00 0.00 55.97 57.45 2x58 s LYS 200 Cb 0.18 -3.29 0.04 0.00 -0.52 0.00 0.00 37.83 34.24 2x58 s LYS 200 CO 0.57 0.49 1.08 -2.14 -0.92 0.00 0.00 175.35 174.43 2x58 s PRO 201 N -1.04 2.43 -0.04 -1.68 0.02 -1.26 -4.95 135.00 128.47 2x58 s PRO 201 Ca 0.41 0.71 -0.30 0.00 0.02 0.00 0.00 61.00 61.84 2x58 s PRO 201 Cb -0.25 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.28 2x58 s PRO 201 CO 0.31 -1.39 1.15 0.08 -0.33 0.00 0.00 177.00 176.82 2x58 s VAL 202 N -3.15 4.35 0.19 3.83 1.01 -1.26 -4.80 120.40 120.57 2x58 s VAL 202 Ca 0.60 1.67 -0.31 0.00 0.00 0.00 0.00 61.98 63.93 2x58 s VAL 202 Cb -0.14 -4.07 -0.16 0.00 0.00 0.00 0.00 36.38 32.01 2x58 s VAL 202 CO 0.54 0.02 1.03 -2.65 0.00 0.00 0.00 175.10 174.04 2x58 n PRO 203 N 4.92 0.96 -2.95 2.72 -0.02 -1.26 -4.97 135.00 134.40 2x58 n PRO 203 Ca 0.10 0.34 -0.18 0.00 -2.02 0.00 0.00 63.50 61.74 2x58 n PRO 203 Cb 0.47 -1.74 0.03 0.00 -0.02 0.00 0.00 33.50 32.24 2x58 n PRO 203 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2x58 s SER 204 N -0.28 5.44 -0.09 2.55 1.04 -1.26 -4.75 113.70 116.34 2x58 s SER 204 Ca 0.70 -0.46 -0.14 0.00 0.48 0.00 0.00 55.95 56.52 2x58 s SER 204 Cb -0.85 -0.45 0.03 0.00 0.10 0.00 0.00 66.02 64.85 2x58 s SER 204 CO 0.55 -0.98 0.36 -0.76 0.98 0.00 0.00 173.24 173.38 2x58 s LEU 205 N -4.50 0.65 0.17 2.42 1.43 -1.26 -5.05 118.68 112.53 2x58 s LEU 205 Ca 0.57 0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 54.05 2x58 s LEU 205 Cb -0.09 1.29 0.05 0.00 0.03 0.00 0.00 46.19 47.48 2x58 s LEU 205 CO 0.35 -0.25 1.81 -0.65 0.23 0.00 0.00 176.35 177.84 2x58 h PRO 206 N 4.94 0.69 -0.24 1.29 0.11 -2.06 -2.97 132.00 133.75 2x58 h PRO 206 Ca -0.28 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2x58 h PRO 206 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2x58 h PRO 206 CO 0.32 0.49 0.00 0.27 -0.21 0.00 0.00 178.00 178.87 2x58 n ASN 207 N -4.70 0.28 -0.17 -2.05 6.94 -1.26 -4.67 115.26 109.63 2x58 n ASN 207 Ca 0.02 -2.00 -0.09 0.00 -0.02 0.00 0.00 54.58 52.49 2x58 n ASN 207 Cb 0.05 -0.12 -0.05 0.00 -2.36 0.00 0.00 39.78 37.30 2x58 n ASN 207 CO 0.00 0.00 0.00 -0.03 -1.03 0.00 0.00 177.26 176.20 2x58 h MET 208 N 0.04 -0.27 -1.01 -3.83 4.05 -1.94 0.69 114.93 112.66 2x58 h MET 208 Ca 0.00 0.02 0.23 0.00 -0.28 0.00 0.00 59.70 59.67 2x58 h MET 208 Cb 0.13 0.06 -0.11 0.00 -0.80 0.00 0.00 31.60 30.88 2x58 h MET 208 CO 0.00 -0.18 0.61 -0.44 0.23 0.00 0.00 176.91 177.13 2x58 h ASP 209 N -0.28 0.68 -0.52 1.39 3.32 -1.89 0.20 116.42 119.31 2x58 h ASP 209 Ca 0.15 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 2x58 h ASP 209 Cb 0.57 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 2x58 h ASP 209 CO -0.63 0.16 0.26 -1.28 -1.72 0.00 0.00 179.24 176.02 2x58 h SER 210 N 0.61 0.67 -0.96 6.45 0.87 -1.25 -2.74 113.55 117.20 2x58 h SER 210 Ca 0.62 -0.12 0.07 0.00 -1.23 0.00 0.00 61.79 61.13 2x58 h SER 210 Cb 1.16 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.89 2x58 h SER 210 CO -0.42 0.59 0.62 0.58 -0.53 0.00 0.00 176.83 177.67 2x58 h VAL 211 N 0.69 1.08 0.55 2.23 2.07 0.08 -2.03 116.25 120.92 2x58 h VAL 211 Ca 0.18 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2x58 h VAL 211 Cb 0.09 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 29.75 2x58 h VAL 211 CO -0.02 0.20 -0.26 -0.26 0.02 0.00 0.00 177.57 177.24 2x58 h PHE 212 N 1.10 -0.69 -1.24 1.57 0.04 -1.25 -1.72 116.94 114.75 2x58 h PHE 212 Ca 0.41 -0.02 0.38 0.00 2.80 0.00 0.00 57.97 61.55 2x58 h PHE 212 Cb 0.19 0.23 -0.12 0.00 2.20 0.00 0.00 35.95 38.45 2x58 h PHE 212 CO -0.00 -0.43 0.80 0.00 -0.60 0.00 0.00 178.31 178.09 2x58 h ALA 213 N -1.24 2.61 -0.09 2.45 0.00 -1.47 0.25 119.26 121.77 2x58 h ALA 213 Ca -0.08 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2x58 h ALA 213 Cb 0.57 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.52 2x58 h ALA 213 CO 0.12 -1.17 -0.59 1.49 0.00 0.00 0.00 179.25 179.10 2x58 h GLU 214 N 0.17 0.56 -0.59 0.00 4.81 -1.34 -1.91 114.58 116.27 2x58 h GLU 214 Ca 0.75 -0.48 -0.08 0.00 -0.13 0.00 0.00 59.36 59.41 2x58 h GLU 214 Cb 2.27 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.74 2x58 h GLU 214 CO -0.37 1.11 0.05 0.00 -0.73 0.00 0.00 179.01 179.07 2x58 h ALA 215 N 0.46 0.79 -0.93 2.92 0.00 0.24 -0.13 119.26 122.61 2x58 h ALA 215 Ca -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2x58 h ALA 215 Cb 1.25 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2x58 h ALA 215 CO 0.12 0.59 0.55 0.82 0.00 0.00 0.00 179.25 181.34 2x58 h ILE 216 N 0.91 1.26 -0.03 0.00 1.08 -0.66 -0.39 117.51 119.69 2x58 h ILE 216 Ca 0.17 -0.57 -0.21 0.00 -0.39 0.00 0.00 64.86 63.86 2x58 h ILE 216 Cb 0.49 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 2x58 h ILE 216 CO 0.02 0.27 -0.87 0.00 -0.69 0.00 0.00 178.15 176.88 2x58 h ALA 217 N 1.33 0.43 -0.67 1.87 0.00 -1.18 -1.89 119.26 119.15 2x58 h ALA 217 Ca 0.33 -0.68 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2x58 h ALA 217 Cb -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2x58 h ALA 217 CO -0.06 0.80 0.23 -0.22 0.00 0.00 0.00 179.25 180.00 2x58 h LYS 218 N 0.25 1.01 0.03 0.00 3.64 -0.69 -2.03 116.57 118.79 2x58 h LYS 218 Ca -0.06 -0.19 -0.23 0.00 -1.27 0.00 0.00 60.65 58.90 2x58 h LYS 218 Cb 1.49 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 2x58 h LYS 218 CO 0.15 0.85 -1.08 -0.24 -2.27 0.00 0.00 179.45 176.86 2x58 h VAL 219 N 0.98 1.64 0.00 2.00 3.04 -1.03 -1.53 116.25 121.34 2x58 h VAL 219 Ca 0.22 -3.32 -0.10 0.00 -1.01 0.00 0.00 66.70 62.49 2x58 h VAL 219 Cb 0.24 2.85 -0.01 0.00 -2.01 0.00 0.00 31.29 32.36 2x58 h VAL 219 CO -0.01 0.94 -0.45 0.03 -1.01 0.00 0.00 177.57 177.06 2x58 h ARG 220 N 0.01 0.00 0.00 4.17 3.08 -1.26 -1.66 114.38 118.72 2x58 h ARG 220 Ca -0.05 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2x58 h ARG 220 Cb 1.82 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.86 2x58 h ARG 220 CO 0.14 0.45 -0.27 -0.22 -1.07 0.00 0.00 179.97 179.01 2x58 h LYS 221 N 0.00 0.00 -0.10 0.04 3.64 -1.38 -3.24 116.57 115.53 2x58 h LYS 221 Ca -0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2x58 h LYS 221 Cb 1.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2x58 h LYS 221 CO 0.06 0.96 -0.45 1.96 -2.27 0.00 0.00 179.45 179.70 2x58 h GLN 222 N -1.00 0.24 -2.13 1.90 4.20 -1.36 -3.35 115.11 113.61 2x58 h GLN 222 Ca -0.07 -0.12 -0.53 0.00 0.06 0.00 0.00 58.65 57.98 2x58 h GLN 222 Cb 1.02 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.40 2x58 h GLN 222 CO -0.04 0.65 -0.94 0.66 -0.67 0.00 0.00 178.83 178.48 2x58 n TYR 223 N -3.99 1.96 -1.67 2.96 4.01 -0.63 -5.08 117.16 114.72 2x58 n TYR 223 Ca -0.02 -3.90 -0.50 0.00 -0.16 0.00 0.00 57.90 53.32 2x58 n TYR 223 Cb 0.51 -0.45 -0.05 0.00 -0.31 0.00 0.00 39.34 39.03 2x58 n TYR 223 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2x58 n PRO 224 N 0.06 1.86 -0.74 -0.72 -0.04 -1.22 -2.00 135.00 132.19 2x58 n PRO 224 Ca 0.28 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 2x58 n PRO 224 Cb 0.53 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 2x58 n PRO 224 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x58 n GLY 225 N 3.91 1.39 3.65 0.55 0.00 -1.26 -5.01 105.19 108.42 2x58 n GLY 225 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2x58 n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x58 s VAL 226 N -3.61 5.13 0.16 1.61 0.11 -0.85 -4.99 120.40 117.97 2x58 s VAL 226 Ca 0.00 0.82 -0.16 0.00 -2.93 0.00 0.00 61.98 59.71 2x58 s VAL 226 Cb 0.00 -3.79 0.02 0.00 -1.53 0.00 0.00 36.38 31.09 2x58 s VAL 226 CO 0.00 0.18 1.78 -0.07 -3.33 0.00 0.00 175.10 173.66 2x58 h LEU 227 N 8.12 0.31 -0.10 2.54 3.38 -1.95 -3.37 115.31 124.24 2x58 h LEU 227 Ca -0.33 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.69 2x58 h LEU 227 Cb 1.15 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2x58 h LEU 227 CO 0.72 0.23 -0.12 0.00 0.09 0.00 0.00 178.44 179.35 2x58 h ALA 228 N 1.20 -0.05 -0.73 1.53 0.00 -1.91 -1.05 119.26 118.24 2x58 h ALA 228 Ca 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2x58 h ALA 228 Cb 0.06 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2x58 h ALA 228 CO -0.10 -0.58 0.32 -1.35 0.00 0.00 0.00 179.25 177.53 2x58 h PRO 229 N -0.16 1.06 -0.09 0.00 0.11 -1.88 0.63 132.00 131.67 2x58 h PRO 229 Ca 0.08 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 2x58 h PRO 229 Cb 0.27 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 2x58 h PRO 229 CO -0.20 0.84 -0.01 1.49 -0.21 0.00 0.00 178.00 179.91 2x58 h GLU 230 N 1.04 0.16 -0.82 1.05 4.81 -1.50 -2.10 114.58 117.22 2x58 h GLU 230 Ca 0.25 -0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.53 2x58 h GLU 230 Cb 0.15 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.44 2x58 h GLU 230 CO -0.03 0.45 0.45 1.15 -0.73 0.00 0.00 179.01 180.30 2x58 h THR 231 N -0.15 0.86 -0.59 0.32 2.02 -0.86 0.86 112.91 115.37 2x58 h THR 231 Ca 0.02 -0.25 0.12 0.00 0.77 0.00 0.00 66.41 67.07 2x58 h THR 231 Cb 0.38 0.06 -0.10 0.00 -1.74 0.00 0.00 68.15 66.75 2x58 h THR 231 CO 0.01 0.13 -0.06 0.00 0.37 0.00 0.00 175.52 175.97 2x58 h VAL 233 N 0.06 0.29 -0.77 0.00 2.07 -0.18 -1.96 116.25 115.75 2x58 h VAL 233 Ca 0.30 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.88 2x58 h VAL 233 Cb 0.47 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2x58 h VAL 233 CO -0.55 0.00 0.50 0.03 0.02 0.00 0.00 177.57 177.58 2x58 h ARG 234 N -0.46 0.79 -0.10 1.57 2.47 -0.55 0.12 114.38 118.23 2x58 h ARG 234 Ca 0.07 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.65 2x58 h ARG 234 Cb 0.56 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 2x58 h ARG 234 CO -0.29 0.53 -0.34 1.03 0.56 0.00 0.00 179.97 181.46 2x58 h SER 235 N 0.82 0.21 0.11 7.04 0.87 -0.50 -2.05 113.55 120.05 2x58 h SER 235 Ca 0.33 -0.07 -0.26 0.00 -1.23 0.00 0.00 61.79 60.56 2x58 h SER 235 Cb 0.25 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2x58 h SER 235 CO -0.12 0.54 -1.05 0.40 -0.53 0.00 0.00 176.83 176.08 2x58 h ILE 236 N 0.18 1.31 -0.89 2.23 2.04 -0.11 -2.97 117.51 119.31 2x58 h ILE 236 Ca 0.02 -2.34 0.13 0.00 1.00 0.00 0.00 64.86 63.67 2x58 h ILE 236 Cb 0.69 2.43 -0.09 0.00 -0.74 0.00 0.00 36.82 39.11 2x58 h ILE 236 CO 0.05 0.71 0.51 -0.61 0.00 0.00 0.00 178.15 178.81 2x58 h GLN 237 N 0.34 0.75 -0.41 2.37 4.15 -0.73 0.46 115.11 122.04 2x58 h GLN 237 Ca -0.12 -0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.37 2x58 h GLN 237 Cb 1.70 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 29.20 2x58 h GLN 237 CO 0.20 0.50 0.35 0.00 -1.93 0.00 0.00 178.83 177.95 2x58 h ALA 238 N 1.53 2.23 0.00 3.38 0.00 -1.20 -0.09 119.26 125.10 2x58 h ALA 238 Ca 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 2x58 h ALA 238 Cb 0.54 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2x58 h ALA 238 CO -0.30 -0.56 -0.06 0.66 0.00 0.00 0.00 179.25 178.99 2x58 h SER 239 N 0.00 0.00 0.62 0.00 4.64 -0.99 -2.62 113.55 115.20 2x58 h SER 239 Ca 0.19 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.24 2x58 h SER 239 Cb 0.89 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 2x58 h SER 239 CO -0.00 0.06 -1.45 0.58 -0.87 0.00 0.00 176.83 175.15 2x58 h VAL 240 N 0.00 1.20 0.07 0.95 2.07 -1.08 -3.38 116.25 116.08 2x58 h VAL 240 Ca -0.00 -2.94 -0.27 0.00 0.82 0.00 0.00 66.70 64.31 2x58 h VAL 240 Cb 0.85 2.66 0.03 0.00 -1.52 0.00 0.00 31.29 33.30 2x58 h VAL 240 CO 0.01 0.75 -1.10 0.11 0.02 0.00 0.00 177.57 177.36 2x58 h LYS 241 N 0.02 0.62 -5.67 1.57 1.57 -1.35 -3.48 116.57 109.84 2x58 h LYS 241 Ca -0.19 -0.76 -0.47 0.00 -1.87 0.00 0.00 60.65 57.35 2x58 h LYS 241 Cb 1.94 0.24 -0.16 0.00 0.08 0.00 0.00 32.23 34.33 2x58 h LYS 241 CO 0.12 1.34 -0.75 -1.01 -0.57 0.00 0.00 179.45 178.58 2x58 s HIS 242 N -3.09 1.73 1.13 -1.35 3.76 -1.00 -5.12 115.29 111.35 2x58 s HIS 242 Ca -0.10 -0.53 -0.13 0.00 -0.15 0.00 0.00 55.06 54.15 2x58 s HIS 242 Cb 0.06 -0.83 0.25 0.00 1.11 0.00 0.00 32.58 33.17 2x58 s HIS 242 CO 0.92 0.34 0.95 -0.35 -0.85 0.00 0.00 174.74 175.75 2x58 n PRO 243 N -0.11 -2.04 -0.14 8.40 -0.04 -1.26 -4.65 135.00 135.16 2x58 n PRO 243 Ca -0.10 -0.56 -0.08 0.00 -0.04 0.00 0.00 63.50 62.72 2x58 n PRO 243 Cb 0.59 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 2x58 n PRO 243 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2x58 h TYR 244 N -2.50 0.53 -0.15 0.54 5.03 -1.93 -1.88 116.97 116.61 2x58 h TYR 244 Ca -0.58 0.01 0.04 0.00 2.58 0.00 0.00 58.73 60.79 2x58 h TYR 244 Cb 1.32 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.42 2x58 h TYR 244 CO 0.30 0.35 0.13 0.93 -1.32 0.00 0.00 178.16 178.55 2x58 h GLU 245 N 0.57 0.00 0.09 1.82 3.07 -1.97 0.85 114.58 119.01 2x58 h GLU 245 Ca 0.15 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.74 2x58 h GLU 245 Cb -0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 2x58 h GLU 245 CO -0.03 0.00 -1.41 0.28 -1.40 0.00 0.00 179.01 176.45 2x58 h VAL 246 N 0.00 0.98 -0.35 3.13 2.07 -1.71 -3.34 116.25 117.02 2x58 h VAL 246 Ca 0.07 -2.34 -0.04 0.00 0.82 0.00 0.00 66.70 65.21 2x58 h VAL 246 Cb 0.34 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 2x58 h VAL 246 CO -0.00 0.65 0.04 1.23 0.02 0.00 0.00 177.57 179.51 2x58 h GLY 247 N -0.04 0.56 -0.02 2.17 0.00 -0.68 -1.36 103.07 103.70 2x58 h GLY 247 Ca -0.32 -0.31 0.15 0.00 0.00 0.00 0.00 47.33 46.85 2x58 h GLY 247 CO 0.01 0.29 0.15 -2.22 0.00 0.00 0.00 176.54 174.77 2x58 h ILE 248 N 0.51 0.54 -0.04 2.60 1.08 -1.02 -1.14 117.51 120.03 2x58 h ILE 248 Ca 0.11 -0.09 -0.16 0.00 -0.39 0.00 0.00 64.86 64.34 2x58 h ILE 248 Cb 0.27 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 2x58 h ILE 248 CO 0.00 0.05 -0.68 0.11 -0.69 0.00 0.00 178.15 176.94 2x58 h LYS 249 N 0.25 0.19 -0.01 2.37 1.57 -1.39 -2.41 116.57 117.14 2x58 h LYS 249 Ca 0.39 -0.15 -0.23 0.00 -1.87 0.00 0.00 60.65 58.78 2x58 h LYS 249 Cb 0.64 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.98 2x58 h LYS 249 CO -0.49 0.80 -0.93 1.49 -0.57 0.00 0.00 179.45 179.74 2x58 h GLU 250 N 0.13 0.48 -0.64 3.15 4.57 -0.83 -0.28 114.58 121.17 2x58 h GLU 250 Ca -0.02 -0.50 -0.06 0.00 -1.18 0.00 0.00 59.36 57.61 2x58 h GLU 250 Cb 1.21 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.91 2x58 h GLU 250 CO 0.10 1.14 0.17 1.49 -1.18 0.00 0.00 179.01 180.74 2x58 h GLU 251 N 0.28 0.99 -0.09 1.92 4.81 -1.21 -1.12 114.58 120.15 2x58 h GLU 251 Ca -0.08 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 2x58 h GLU 251 Cb 1.57 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 2x58 h GLU 251 CO 0.17 0.86 -0.01 1.49 -0.73 0.00 0.00 179.01 180.80 2x58 h GLU 252 N 0.95 0.17 0.05 1.92 4.81 -1.09 0.85 114.58 122.24 2x58 h GLU 252 Ca 0.21 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2x58 h GLU 252 Cb 0.31 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 2x58 h GLU 252 CO -0.00 0.44 -0.28 0.87 -0.73 0.00 0.00 179.01 179.31 2x58 h LYS 253 N -0.12 -0.44 -0.98 1.92 1.57 -0.86 -2.38 116.57 115.28 2x58 h LYS 253 Ca 0.03 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2x58 h LYS 253 Cb 0.37 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 2x58 h LYS 253 CO 0.01 -0.29 0.63 -0.07 -0.57 0.00 0.00 179.45 179.15 2x58 h LEU 254 N -0.46 1.15 -0.41 2.94 3.38 -1.13 -1.94 115.31 118.83 2x58 h LEU 254 Ca 0.05 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.06 2x58 h LEU 254 Cb 0.51 -0.29 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 2x58 h LEU 254 CO -0.20 0.85 -0.13 0.15 0.09 0.00 0.00 178.44 179.20 2x58 h PHE 255 N 1.34 -0.30 -0.34 1.13 3.57 -0.60 -0.64 116.94 121.10 2x58 h PHE 255 Ca 0.36 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.73 2x58 h PHE 255 Cb -0.12 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2x58 h PHE 255 CO 0.00 -0.21 -0.43 0.52 -2.23 0.00 0.00 178.31 175.96 2x58 h MET 256 N -0.04 0.87 0.09 1.11 0.00 -0.90 0.25 114.93 116.31 2x58 h MET 256 Ca 0.20 -0.48 0.02 0.00 0.00 0.00 0.00 59.70 59.44 2x58 h MET 256 Cb 0.35 0.03 -0.03 0.00 0.00 0.00 0.00 31.60 31.94 2x58 h MET 256 CO -0.45 1.13 -0.22 -0.92 0.00 0.00 0.00 176.91 176.45 2x58 h TYR 257 N 0.70 -0.58 -0.51 -0.22 5.03 -1.15 -2.26 116.97 117.99 2x58 h TYR 257 Ca 0.05 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.42 2x58 h TYR 257 Cb 1.02 0.24 -0.05 0.00 1.55 0.00 0.00 36.73 39.49 2x58 h TYR 257 CO 0.06 -0.31 0.23 -0.07 -1.32 0.00 0.00 178.16 176.76 2x58 h LEU 258 N -0.39 0.31 0.00 2.82 4.07 -0.69 -2.65 115.31 118.79 2x58 h LEU 258 Ca 0.04 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2x58 h LEU 258 Cb 0.43 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2x58 h LEU 258 CO -0.14 0.22 0.00 -2.11 -1.08 0.00 0.00 178.44 175.33 2x58 n ARG 259 N -4.92 0.21 -0.48 1.13 1.85 0.04 -1.21 116.66 113.28 2x58 n ARG 259 Ca 0.05 0.08 0.09 0.00 -1.00 0.00 0.00 57.85 57.07 2x58 n ARG 259 Cb 0.16 -1.50 0.31 0.00 -1.05 0.00 0.00 32.46 30.38 2x58 n ARG 259 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2x58 n ALA 260 N -1.36 2.78 -2.49 2.89 0.00 -0.88 -3.66 120.51 117.78 2x58 n ALA 260 Ca 0.09 -1.53 -0.24 0.00 0.00 0.00 0.00 53.44 51.75 2x58 n ALA 260 Cb 0.21 -0.87 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 2x58 n ALA 260 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2x58 s SER 261 N -1.04 6.17 0.18 0.00 1.04 -0.35 -5.01 113.70 114.69 2x58 s SER 261 Ca 0.45 0.51 -0.08 0.00 0.48 0.00 0.00 55.95 57.32 2x58 s SER 261 Cb 0.28 -1.95 0.08 0.00 0.10 0.00 0.00 66.02 64.53 2x58 s SER 261 CO 0.23 -0.46 1.60 1.23 0.98 0.00 0.00 173.24 176.82 2x58 h GLY 262 N 0.55 1.02 1.86 7.32 0.00 -1.94 -2.68 103.07 109.20 2x58 h GLY 262 Ca -0.48 -0.86 -0.09 0.00 0.00 0.00 0.00 47.33 45.90 2x58 h GLY 262 CO 0.60 0.78 -0.37 1.46 0.00 0.00 0.00 176.54 179.01 2x58 h GLN 263 N 0.82 0.16 -0.60 4.80 4.20 -1.93 0.21 115.11 122.78 2x58 h GLN 263 Ca 0.12 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 2x58 h GLN 263 Cb 0.73 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 2x58 h GLN 263 CO 0.06 0.51 0.14 0.00 -0.67 0.00 0.00 178.83 178.87 2x58 h ALA 264 N 1.48 0.78 0.00 3.87 0.00 -1.72 0.79 119.26 124.47 2x58 h ALA 264 Ca 0.01 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 2x58 h ALA 264 Cb 0.73 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2x58 h ALA 264 CO 0.05 0.49 -0.84 1.57 0.00 0.00 0.00 179.25 180.53 2x58 h LYS 265 N 0.86 0.00 0.27 0.00 2.10 -1.20 -2.54 116.57 116.06 2x58 h LYS 265 Ca 0.19 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.82 2x58 h LYS 265 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2x58 h LYS 265 CO 0.00 0.84 -0.13 0.00 -2.00 0.00 0.00 179.45 178.16 2x58 h ALA 266 N 1.16 -0.37 -0.52 0.07 0.00 -0.12 -0.31 119.26 119.18 2x58 h ALA 266 Ca -0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2x58 h ALA 266 Cb 1.62 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 2x58 h ALA 266 CO 0.11 -0.68 -0.04 -0.07 0.00 0.00 0.00 179.25 178.57 2x58 h LEU 267 N -0.42 0.88 -0.55 0.00 3.38 0.60 -1.35 115.31 117.86 2x58 h LEU 267 Ca -0.04 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 2x58 h LEU 267 Cb 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2x58 h LEU 267 CO 0.06 0.96 -0.12 1.56 0.09 0.00 0.00 178.44 180.99 2x58 h GLN 268 N 0.82 1.04 -0.22 1.13 4.20 -1.46 -2.18 115.11 118.44 2x58 h GLN 268 Ca 0.15 -0.39 0.06 0.00 0.06 0.00 0.00 58.65 58.52 2x58 h GLN 268 Cb 0.54 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 2x58 h GLN 268 CO 0.03 1.09 -0.19 -0.92 -0.67 0.00 0.00 178.83 178.17 2x58 h TYR 269 N 0.92 -0.48 -0.99 2.96 3.20 -0.49 -1.96 116.97 120.13 2x58 h TYR 269 Ca 0.14 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.23 2x58 h TYR 269 Cb 0.70 0.25 -0.11 0.00 1.54 0.00 0.00 36.73 39.11 2x58 h TYR 269 CO 0.05 -0.26 0.60 0.00 -1.64 0.00 0.00 178.16 176.90 2x58 h ALA 270 N 0.91 1.64 -0.12 1.82 0.00 -0.97 0.39 119.26 122.93 2x58 h ALA 270 Ca 0.13 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2x58 h ALA 270 Cb 0.39 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2x58 h ALA 270 CO -0.34 -0.05 -0.03 0.35 0.00 0.00 0.00 179.25 179.18 2x58 h PHE 271 N 0.76 0.26 -0.52 0.00 3.57 -0.87 -2.03 116.94 118.09 2x58 h PHE 271 Ca 0.57 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.91 2x58 h PHE 271 Cb 0.88 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2x58 h PHE 271 CO -0.01 0.53 -0.06 0.74 -2.23 0.00 0.00 178.31 177.28 2x58 h PHE 272 N -0.09 1.07 -0.57 0.41 0.05 -0.69 -2.32 116.94 114.80 2x58 h PHE 272 Ca 0.03 -0.21 0.09 0.00 3.82 0.00 0.00 57.97 61.70 2x58 h PHE 272 Cb 0.45 -0.27 -0.07 0.00 2.00 0.00 0.00 35.95 38.06 2x58 h PHE 272 CO 0.05 1.00 0.17 0.00 -0.18 0.00 0.00 178.31 179.35 2x58 h ALA 273 N 0.93 0.70 -0.21 2.45 0.00 -0.12 -0.19 119.26 122.81 2x58 h ALA 273 Ca 0.14 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2x58 h ALA 273 Cb 0.61 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2x58 h ALA 273 CO 0.04 -0.25 -0.05 0.93 0.00 0.00 0.00 179.25 179.92 2x58 h GLU 274 N 0.32 0.01 0.00 0.00 5.08 -1.29 -1.88 114.58 116.82 2x58 h GLU 274 Ca 0.29 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2x58 h GLU 274 Cb 0.38 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2x58 h GLU 274 CO -0.33 0.01 0.00 1.63 -1.00 0.00 0.00 179.01 179.32 2x58 n LYS 275 N -5.19 0.19 -0.00 2.33 4.76 -0.44 -1.70 118.16 118.10 2x58 n LYS 275 Ca -0.02 0.16 0.08 0.00 -2.87 0.00 0.00 58.31 55.66 2x58 n LYS 275 Cb 0.13 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.70 2x58 n LYS 275 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2x58 n SER 276 N -1.28 0.90 0.26 4.39 3.41 -0.21 -4.19 113.62 116.90 2x58 n SER 276 Ca 0.06 -0.47 0.13 0.00 -0.26 0.00 0.00 58.87 58.33 2x58 n SER 276 Cb 0.10 1.38 0.68 0.00 -0.26 0.00 0.00 64.21 66.11 2x58 n SER 276 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x58 h ALA 277 N 2.01 1.19 -0.02 7.33 0.00 -0.76 -1.69 119.26 127.33 2x58 h ALA 277 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2x58 h ALA 277 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2x58 h ALA 277 CO 0.00 0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.51 2x58 n ASN 278 N -3.53 0.49 -3.88 0.00 5.03 -1.25 -4.19 115.26 107.93 2x58 n ASN 278 Ca -0.01 -1.26 -0.34 0.00 0.87 0.00 0.00 54.58 53.84 2x58 n ASN 278 Cb 0.28 -0.01 -0.06 0.00 -1.02 0.00 0.00 39.78 38.97 2x58 n ASN 278 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2x58 n LYS 279 N -0.58 2.93 -2.12 3.52 4.76 -0.63 -4.99 118.16 121.05 2x58 n LYS 279 Ca 0.20 -4.55 -0.28 0.00 -2.87 0.00 0.00 58.31 50.81 2x58 n LYS 279 Cb 0.18 -2.38 0.05 0.00 -1.84 0.00 0.00 35.03 31.04 2x58 n LYS 279 CO 0.00 0.00 0.00 1.67 -1.37 0.00 0.00 177.40 177.70 2x58 s TRP 280 N -1.99 3.15 0.08 2.13 1.48 -1.26 -4.88 118.94 117.65 2x58 s TRP 280 Ca 0.32 0.74 -0.26 0.00 -1.06 0.00 0.00 56.10 55.83 2x58 s TRP 280 Cb 0.02 -3.07 0.08 0.00 -1.16 0.00 0.00 33.47 29.34 2x58 s TRP 280 CO -0.05 -1.22 0.84 -1.54 -4.06 0.00 0.00 176.95 170.91 2x58 s SER 281 N -4.42 -0.36 0.24 -2.66 1.04 -1.26 -1.62 113.70 104.66 2x58 s SER 281 Ca 0.58 -0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.93 2x58 s SER 281 Cb -0.11 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.43 2x58 s SER 281 CO 0.48 -0.79 -0.00 0.42 0.98 0.00 0.00 173.24 174.33 2x58 s THR 282 N -3.32 1.09 0.14 2.02 -4.23 -0.56 -4.80 115.64 105.97 2x58 s THR 282 Ca 0.06 -2.04 0.34 0.00 -1.18 0.00 0.00 61.69 58.87 2x58 s THR 282 Cb -0.01 -2.39 0.39 0.00 1.34 0.00 0.00 72.50 71.83 2x58 s THR 282 CO -0.07 -0.30 2.01 -0.65 -0.54 0.00 0.00 174.62 175.07 2x58 h PRO 283 N 2.43 0.00 -0.44 3.99 0.11 -1.89 -1.32 132.00 134.88 2x58 h PRO 283 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2x58 h PRO 283 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2x58 h PRO 283 CO 0.65 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 2x58 n SER 284 N -3.10 0.44 0.00 -2.05 3.41 -1.26 -4.90 113.62 106.17 2x58 n SER 284 Ca 0.00 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 2x58 n SER 284 Cb 0.29 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2x58 n SER 284 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x58 n GLY 285 N 0.26 2.67 3.77 5.00 0.00 -0.50 -5.02 105.19 111.37 2x58 n GLY 285 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2x58 n GLY 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x58 s ALA 286 N -2.70 3.49 0.21 4.61 0.00 -1.26 -4.81 121.76 121.31 2x58 s ALA 286 Ca 0.00 1.38 -0.16 0.00 0.00 0.00 0.00 51.96 53.18 2x58 s ALA 286 Cb 0.00 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.60 2x58 s ALA 286 CO 0.00 -0.83 0.50 -1.54 0.00 0.00 0.00 175.76 173.90 2x58 s SER 287 N -0.39 -0.18 0.45 0.00 1.04 -1.26 -1.49 113.70 111.86 2x58 s SER 287 Ca 0.51 -0.65 0.31 0.00 0.48 0.00 0.00 55.95 56.61 2x58 s SER 287 Cb -0.42 0.58 1.45 0.00 0.10 0.00 0.00 66.02 67.72 2x58 s SER 287 CO 0.56 -1.09 1.62 4.11 0.98 0.00 0.00 173.24 179.43 2x58 h TRP 288 N 2.23 0.48 0.00 5.02 5.08 -1.64 -1.40 115.95 125.71 2x58 h TRP 288 Ca -0.27 0.02 -0.04 0.00 1.08 0.00 0.00 58.89 59.68 2x58 h TRP 288 Cb 1.25 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 27.29 2x58 h TRP 288 CO 0.38 -0.19 -0.18 0.87 -1.28 0.00 0.00 178.44 178.04 2x58 h LYS 289 N 0.08 0.00 -0.26 0.12 1.57 -1.94 -3.27 116.57 112.87 2x58 h LYS 289 Ca 0.82 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 59.38 2x58 h LYS 289 Cb 2.64 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 34.58 2x58 h LYS 289 CO -0.38 0.18 -1.02 0.25 -0.57 0.00 0.00 179.45 177.91 2x58 n THR 290 N -3.93 0.95 -3.92 -0.16 -2.24 -0.55 -5.05 114.28 99.39 2x58 n THR 290 Ca -0.02 -2.31 -0.10 0.00 -2.27 0.00 0.00 64.05 59.35 2x58 n THR 290 Cb 0.27 0.87 -0.12 0.00 -2.10 0.00 0.00 70.33 69.25 2x58 n THR 290 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x58 s ALA 291 N -2.27 -0.03 -0.06 6.98 0.00 -1.11 -4.78 121.76 120.49 2x58 s ALA 291 Ca 0.33 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.08 2x58 s ALA 291 Cb 0.36 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 2x58 s ALA 291 CO -0.09 -0.12 -0.24 0.45 0.00 0.00 0.00 175.76 175.77 2x58 s SER 292 N -0.92 2.92 0.23 0.00 0.15 -1.26 -4.93 113.70 109.89 2x58 s SER 292 Ca -0.10 -0.49 -0.23 0.00 0.70 0.00 0.00 55.95 55.83 2x58 s SER 292 Cb -0.06 -0.80 -0.09 0.00 -1.71 0.00 0.00 66.02 63.36 2x58 s SER 292 CO -0.00 0.23 0.79 0.00 1.20 0.00 0.00 173.24 175.46 2x58 s ALA 293 N -0.13 3.38 0.32 5.45 0.00 -1.26 -4.38 121.76 125.13 2x58 s ALA 293 Ca -0.04 0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.08 2x58 s ALA 293 Cb -0.13 -2.95 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 2x58 s ALA 293 CO 0.03 0.28 0.74 -0.65 0.00 0.00 0.00 175.76 176.17 2x58 s GLN 294 N -1.74 4.02 0.51 0.00 -1.52 -1.26 -4.93 119.66 114.74 2x58 s GLN 294 Ca 0.42 0.70 -0.21 0.00 -1.95 0.00 0.00 55.36 54.33 2x58 s GLN 294 Cb -0.19 -2.45 -0.07 0.00 -0.22 0.00 0.00 33.01 30.09 2x58 s GLN 294 CO 0.23 0.16 1.13 -2.14 -0.25 0.00 0.00 175.29 174.43 2x58 s PRO 295 N -2.93 3.53 -0.07 2.91 0.02 -1.26 -4.85 135.00 132.35 2x58 s PRO 295 Ca 0.54 1.64 -0.02 0.00 0.02 0.00 0.00 61.00 63.18 2x58 s PRO 295 Cb -0.10 -2.15 0.03 0.00 0.02 0.00 0.00 34.50 32.30 2x58 s PRO 295 CO 0.17 -0.71 0.03 0.08 -0.33 0.00 0.00 177.00 176.24 2x58 s VAL 296 N -1.71 0.16 0.00 3.83 1.01 -1.26 -5.02 120.40 117.41 2x58 s VAL 296 Ca 0.69 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2x58 s VAL 296 Cb -0.25 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2x58 s VAL 296 CO 0.29 0.17 0.00 -1.54 0.00 0.00 0.00 175.10 174.02 2x58 n SER 297 N 5.21 2.28 -3.97 3.32 3.41 -1.26 -5.02 113.62 117.59 2x58 n SER 297 Ca -0.05 -0.23 -0.22 0.00 -0.26 0.00 0.00 58.87 58.10 2x58 n SER 297 Cb 0.50 0.92 -0.16 0.00 -0.26 0.00 0.00 64.21 65.21 2x58 n SER 297 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2x58 s SER 298 N -1.38 1.41 -0.01 4.04 1.04 -1.26 -0.61 113.70 116.93 2x58 s SER 298 Ca 0.00 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.23 2x58 s SER 298 Cb 0.00 -0.65 -0.00 0.00 0.10 0.00 0.00 66.02 65.46 2x58 s SER 298 CO 0.00 0.00 -0.08 -0.69 0.98 0.00 0.00 173.24 173.45 2x58 s VAL 299 N 0.73 0.68 -0.14 5.02 1.01 0.33 -2.18 120.40 125.86 2x58 s VAL 299 Ca -0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 2x58 s VAL 299 Cb -0.15 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2x58 s VAL 299 CO 0.02 0.20 -0.03 -0.83 0.00 0.00 0.00 175.10 174.46 2x58 s GLY 300 N -0.09 1.75 -0.36 4.51 0.00 0.53 -1.62 107.32 112.04 2x58 s GLY 300 Ca 0.02 -0.82 -0.07 0.00 0.00 0.00 0.00 44.72 43.85 2x58 s GLY 300 CO -0.00 -0.21 0.14 0.14 0.00 0.00 0.00 173.10 173.17 2x58 s VAL 301 N 0.03 3.91 -0.37 1.40 1.01 -0.40 -0.66 120.40 125.31 2x58 s VAL 301 Ca 0.01 -1.18 -0.13 0.00 0.00 0.00 0.00 61.98 60.68 2x58 s VAL 301 Cb -0.13 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.00 2x58 s VAL 301 CO 0.02 -0.25 0.25 -0.22 0.00 0.00 0.00 175.10 174.91 2x58 s LEU 302 N 1.41 4.75 0.00 3.92 2.96 -0.51 -0.77 118.68 130.44 2x58 s LEU 302 Ca -0.00 -0.72 0.00 0.00 -0.22 0.00 0.00 54.13 53.19 2x58 s LEU 302 Cb -0.20 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.37 2x58 s LEU 302 CO 0.03 -0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 2x58 n GLY 303 N 5.10 1.86 2.41 7.98 0.00 0.79 -0.56 105.19 122.76 2x58 n GLY 303 Ca -0.12 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.50 2x58 n GLY 303 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x58 n LEU 304 N 0.00 4.98 0.00 0.99 4.77 -1.26 -4.20 117.00 122.28 2x58 n LEU 304 Ca 0.00 -5.09 0.00 0.00 -0.03 0.00 0.00 56.01 50.89 2x58 n LEU 304 Cb 0.00 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 2x58 n LEU 304 CO 0.00 2.17 0.00 0.61 -1.33 0.00 0.00 177.39 178.84 2x58 n GLY 305 N -0.54 -1.85 0.21 -0.72 0.00 -1.26 -4.47 105.19 96.56 2x58 n GLY 305 Ca 0.41 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 2x58 n GLY 305 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2x58 h THR 306 N -0.06 1.29 0.19 2.61 1.35 -1.94 -2.43 112.91 113.92 2x58 h THR 306 Ca 0.00 -1.97 -0.01 0.00 -0.55 0.00 0.00 66.41 63.88 2x58 h THR 306 Cb 0.00 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2x58 h THR 306 CO 0.00 0.62 -0.09 0.24 -0.25 0.00 0.00 175.52 176.04 2x58 h MET 307 N 0.46 -0.24 -0.81 4.72 2.86 -1.92 -3.12 114.93 116.88 2x58 h MET 307 Ca -0.06 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.79 2x58 h MET 307 Cb 1.39 0.05 -0.14 0.00 0.06 0.00 0.00 31.60 32.97 2x58 h MET 307 CO 0.16 0.12 0.06 0.78 1.06 0.00 0.00 176.91 179.09 2x58 h GLY 308 N -0.94 1.00 -0.07 8.32 0.00 -1.73 0.61 103.07 110.26 2x58 h GLY 308 Ca -0.03 0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.52 2x58 h GLY 308 CO 0.04 -0.32 0.03 3.21 0.00 0.00 0.00 176.54 179.49 2x58 h ARG 309 N 0.12 0.13 -0.10 4.80 3.08 -1.47 -0.66 114.38 120.29 2x58 h ARG 309 Ca 0.46 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.45 2x58 h ARG 309 Cb 0.85 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 2x58 h ARG 309 CO -0.69 0.09 -0.14 0.78 -1.07 0.00 0.00 179.97 178.94 2x58 h GLY 310 N 0.14 0.30 -0.00 0.04 0.00 -0.87 -2.58 103.07 100.10 2x58 h GLY 310 Ca 0.34 -0.33 0.12 0.00 0.00 0.00 0.00 47.33 47.46 2x58 h GLY 310 CO -0.53 0.29 -0.00 -2.22 0.00 0.00 0.00 176.54 174.09 2x58 h ILE 311 N -0.15 0.52 0.30 2.60 2.04 -0.85 -0.57 117.51 121.40 2x58 h ILE 311 Ca 0.01 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2x58 h ILE 311 Cb 0.69 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2x58 h ILE 311 CO 0.03 0.02 -0.50 0.00 0.00 0.00 0.00 178.15 177.70 2x58 h ALA 312 N 1.53 -1.02 -0.65 1.87 0.00 -0.99 -2.56 119.26 117.44 2x58 h ALA 312 Ca 0.30 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.20 2x58 h ALA 312 Cb 0.48 0.78 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 2x58 h ALA 312 CO -0.50 -1.13 -0.19 0.82 0.00 0.00 0.00 179.25 178.25 2x58 h ILE 313 N -0.86 0.31 -0.36 0.00 2.04 -0.98 -2.15 117.51 115.51 2x58 h ILE 313 Ca -0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.91 2x58 h ILE 313 Cb 0.80 0.31 -0.08 0.00 -0.74 0.00 0.00 36.82 37.11 2x58 h ILE 313 CO -0.17 0.00 -0.17 0.28 0.00 0.00 0.00 178.15 178.08 2x58 h SER 314 N -0.03 -0.59 0.09 1.72 0.02 -0.72 -0.78 113.55 113.26 2x58 h SER 314 Ca 0.31 0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 61.30 2x58 h SER 314 Cb 0.50 0.32 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 2x58 h SER 314 CO -0.68 -0.21 -0.32 -0.26 -1.14 0.00 0.00 176.83 174.22 2x58 h PHE 315 N -0.11 0.40 -0.10 3.45 0.04 -1.27 -3.29 116.94 116.05 2x58 h PHE 315 Ca 0.18 -0.09 -0.20 0.00 2.80 0.00 0.00 57.97 60.66 2x58 h PHE 315 Cb 0.39 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.44 2x58 h PHE 315 CO -0.39 0.63 -0.75 0.00 -0.60 0.00 0.00 178.31 177.20 2x58 h ALA 316 N 1.36 0.50 0.00 2.45 0.00 -0.52 -3.14 119.26 119.91 2x58 h ALA 316 Ca 0.04 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 2x58 h ALA 316 Cb 0.72 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2x58 h ALA 316 CO 0.05 0.74 -0.01 0.07 0.00 0.00 0.00 179.25 180.10 2x58 h ARG 317 N 0.37 0.00 -1.01 0.00 0.11 -1.45 -1.87 114.38 110.53 2x58 h ARG 317 Ca -0.04 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.47 2x58 h ARG 317 Cb 1.34 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 32.13 2x58 h ARG 317 CO 0.14 0.01 0.73 1.33 0.10 0.00 0.00 179.97 182.28 2x58 n VAL 318 N -3.12 3.34 -1.60 0.08 0.24 -1.21 -4.90 118.33 111.16 2x58 n VAL 318 Ca -0.00 -2.30 -0.16 0.00 -2.04 0.00 0.00 64.34 59.84 2x58 n VAL 318 Cb 0.27 -0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 31.78 2x58 n VAL 318 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2x58 n GLY 319 N -0.98 1.22 3.81 7.63 0.00 -0.70 -4.97 105.19 111.20 2x58 n GLY 319 Ca 0.59 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.28 2x58 n GLY 319 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x58 s ILE 320 N -2.41 4.12 -0.37 -0.61 1.01 -1.19 -4.77 121.20 116.98 2x58 s ILE 320 Ca 0.00 1.34 -0.29 0.00 0.00 0.00 0.00 60.65 61.70 2x58 s ILE 320 Cb 0.00 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.94 2x58 s ILE 320 CO 0.00 -0.27 1.15 -0.44 0.00 0.00 0.00 174.94 175.38 2x58 s SER 321 N -2.07 6.77 -0.16 3.58 0.01 0.22 -4.17 113.70 117.88 2x58 s SER 321 Ca 0.64 0.90 -0.05 0.00 1.31 0.00 0.00 55.95 58.75 2x58 s SER 321 Cb -0.13 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 2x58 s SER 321 CO 0.16 -1.05 0.01 -0.69 0.41 0.00 0.00 173.24 172.08 2x58 s VAL 322 N 4.09 4.30 -0.28 3.43 1.01 0.12 0.12 120.40 133.20 2x58 s VAL 322 Ca 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 2x58 s VAL 322 Cb -0.12 -2.90 0.04 0.00 0.00 0.00 0.00 36.38 33.41 2x58 s VAL 322 CO 0.22 0.49 -0.03 -0.69 0.00 0.00 0.00 175.10 175.10 2x58 s VAL 323 N 0.22 2.91 -0.26 2.92 1.01 -0.64 -1.05 120.40 125.51 2x58 s VAL 323 Ca 0.01 -1.28 -0.08 0.00 0.00 0.00 0.00 61.98 60.63 2x58 s VAL 323 Cb -0.13 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 2x58 s VAL 323 CO 0.02 -0.00 0.10 0.00 0.00 0.00 0.00 175.10 175.22 2x58 s ALA 324 N 1.27 3.24 -0.14 5.51 0.00 0.40 -1.28 121.76 130.76 2x58 s ALA 324 Ca -0.04 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2x58 s ALA 324 Cb -0.19 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 20.77 2x58 s ALA 324 CO -0.02 -0.54 -0.12 0.08 0.00 0.00 0.00 175.76 175.15 2x58 s VAL 325 N 1.64 1.42 -0.18 0.00 1.01 0.05 -2.06 120.40 122.27 2x58 s VAL 325 Ca 0.06 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2x58 s VAL 325 Cb -0.15 -1.36 0.06 0.00 0.00 0.00 0.00 36.38 34.93 2x58 s VAL 325 CO 0.05 0.43 0.05 -0.70 0.00 0.00 0.00 175.10 174.94 2x58 s GLU 326 N 1.55 0.45 0.09 2.72 2.56 -1.02 -0.15 118.70 124.89 2x58 s GLU 326 Ca 0.05 -0.30 -0.32 0.00 0.00 0.00 0.00 54.97 54.39 2x58 s GLU 326 Cb -0.13 -2.01 -0.15 0.00 2.00 0.00 0.00 34.13 33.84 2x58 s GLU 326 CO -0.10 -0.65 1.61 0.66 -0.56 0.00 0.00 175.26 176.22 2x58 h SER 327 N 8.31 -0.97 -0.75 -1.70 4.64 -1.84 -3.40 113.55 117.83 2x58 h SER 327 Ca -0.16 0.07 -0.69 0.00 -0.47 0.00 0.00 61.79 60.55 2x58 h SER 327 Cb 1.13 0.31 -0.03 0.00 -0.31 0.00 0.00 62.40 63.50 2x58 h SER 327 CO 0.32 -0.54 1.41 -0.67 -0.87 0.00 0.00 176.83 176.48 2x58 n ASP 328 N -5.49 1.68 -0.04 4.97 2.03 -1.26 -4.86 116.55 113.57 2x58 n ASP 328 Ca -0.11 0.45 0.03 0.00 0.52 0.00 0.00 54.79 55.68 2x58 n ASP 328 Cb 0.38 -1.16 0.38 0.00 -0.72 0.00 0.00 41.12 40.01 2x58 n ASP 328 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2x58 h PRO 329 N 11.62 0.62 0.17 -0.67 0.11 -2.00 -1.52 132.00 140.33 2x58 h PRO 329 Ca -0.21 -0.04 -0.31 0.00 0.11 0.00 0.00 66.00 65.54 2x58 h PRO 329 Cb 1.35 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 32.33 2x58 h PRO 329 CO 1.06 0.42 -1.45 1.57 -0.21 0.00 0.00 178.00 179.39 2x58 h LYS 330 N 0.64 0.35 -0.58 1.05 2.10 -1.95 -2.79 116.57 115.39 2x58 h LYS 330 Ca 0.17 -0.60 0.03 0.00 -2.00 0.00 0.00 60.65 58.25 2x58 h LYS 330 Cb -0.05 0.22 -0.04 0.00 -0.90 0.00 0.00 32.23 31.46 2x58 h LYS 330 CO -0.04 1.26 0.35 0.37 -2.00 0.00 0.00 179.45 179.39 2x58 h GLN 331 N 0.10 0.66 -0.91 0.07 5.75 -1.86 -1.37 115.11 117.55 2x58 h GLN 331 Ca -0.22 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.32 2x58 h GLN 331 Cb 2.05 -0.15 -0.07 0.00 1.07 0.00 0.00 27.48 30.39 2x58 h GLN 331 CO 0.21 0.43 0.56 1.25 -2.65 0.00 0.00 178.83 178.63 2x58 h LEU 332 N 0.68 0.86 -0.72 -2.39 5.85 -1.35 -0.36 115.31 117.87 2x58 h LEU 332 Ca 0.24 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.87 2x58 h LEU 332 Cb 0.05 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2x58 h LEU 332 CO -0.11 0.52 -0.30 0.44 -0.34 0.00 0.00 178.44 178.64 2x58 h ASP 333 N 0.98 0.66 -0.40 1.25 3.45 -1.09 -1.78 116.42 119.49 2x58 h ASP 333 Ca 0.41 -0.26 -0.13 0.00 0.43 0.00 0.00 57.03 57.49 2x58 h ASP 333 Cb 0.27 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 2x58 h ASP 333 CO -0.21 0.93 -0.26 0.00 -1.57 0.00 0.00 179.24 178.13 2x58 h ALA 334 N 1.12 0.57 -0.04 3.45 0.00 -0.90 -3.13 119.26 120.32 2x58 h ALA 334 Ca 0.07 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.59 2x58 h ALA 334 Cb 0.79 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2x58 h ALA 334 CO 0.07 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.83 2x58 h ALA 335 N 0.80 -0.03 -0.37 0.00 0.00 -0.93 -2.56 119.26 116.17 2x58 h ALA 335 Ca 0.08 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2x58 h ALA 335 Cb 0.83 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 2x58 h ALA 335 CO 0.07 -0.54 -0.29 0.87 0.00 0.00 0.00 179.25 179.36 2x58 h LYS 336 N -0.08 -0.23 -0.42 0.00 1.57 -1.30 0.13 116.57 116.25 2x58 h LYS 336 Ca 0.04 0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2x58 h LYS 336 Cb 0.14 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2x58 h LYS 336 CO -0.09 -0.15 -0.18 -0.22 -0.57 0.00 0.00 179.45 178.24 2x58 h LYS 337 N -0.24 0.80 -0.29 3.15 1.63 -1.51 -1.69 116.57 118.42 2x58 h LYS 337 Ca 0.17 -0.31 -0.18 0.00 -0.85 0.00 0.00 60.65 59.48 2x58 h LYS 337 Cb 0.51 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2x58 h LYS 337 CO -0.51 0.92 -0.53 0.82 -3.45 0.00 0.00 179.45 176.71 2x58 h ILE 338 N 0.71 1.28 -0.16 2.00 2.04 -0.98 0.73 117.51 123.12 2x58 h ILE 338 Ca 0.10 -1.72 -0.09 0.00 1.00 0.00 0.00 64.86 64.16 2x58 h ILE 338 Cb 0.69 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.38 2x58 h ILE 338 CO 0.05 0.56 -0.26 0.40 0.00 0.00 0.00 178.15 178.90 2x58 h ILE 339 N 0.67 1.35 -0.51 -0.67 2.04 -0.72 -2.26 117.51 117.41 2x58 h ILE 339 Ca 0.02 -1.49 -0.12 0.00 1.00 0.00 0.00 64.86 64.27 2x58 h ILE 339 Cb 1.13 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 2x58 h ILE 339 CO 0.12 0.45 -0.17 0.74 0.00 0.00 0.00 178.15 179.28 2x58 h THR 340 N 0.09 1.27 -0.35 -0.27 2.02 -1.31 -2.10 112.91 112.25 2x58 h THR 340 Ca 0.01 -1.33 -0.05 0.00 0.77 0.00 0.00 66.41 65.81 2x58 h THR 340 Cb 0.84 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 2x58 h THR 340 CO 0.06 0.46 0.02 0.15 0.37 0.00 0.00 175.52 176.59 2x58 h PHE 341 N 0.88 0.55 -0.12 3.16 3.57 -0.86 0.30 116.94 124.42 2x58 h PHE 341 Ca 0.12 -0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 2x58 h PHE 341 Cb 0.74 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2x58 h PHE 341 CO 0.05 0.53 -0.63 1.15 -2.23 0.00 0.00 178.31 177.18 2x58 h THR 342 N 0.52 1.36 0.00 4.41 2.02 -1.27 -2.77 112.91 117.18 2x58 h THR 342 Ca 0.11 -1.96 -0.07 0.00 0.77 0.00 0.00 66.41 65.26 2x58 h THR 342 Cb 0.30 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 2x58 h THR 342 CO 0.01 0.59 -0.64 -0.07 0.37 0.00 0.00 175.52 175.78 2x58 h LEU 343 N 0.31 0.00 -0.20 2.58 3.38 -0.92 -2.57 115.31 117.89 2x58 h LEU 343 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2x58 h LEU 343 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2x58 h LEU 343 CO 0.11 0.30 -0.73 -0.33 0.09 0.00 0.00 178.44 177.88 2x58 h GLU 344 N 0.00 0.00 0.09 1.13 5.08 -1.02 -1.22 114.58 118.64 2x58 h GLU 344 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2x58 h GLU 344 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2x58 h GLU 344 CO 0.03 0.73 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.51 2x58 h LYS 345 N 0.00 -0.11 -0.23 2.33 1.63 -1.47 -2.39 116.57 116.34 2x58 h LYS 345 Ca -0.01 0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 2x58 h LYS 345 Cb 1.47 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.12 2x58 h LYS 345 CO 0.09 0.32 -0.51 0.93 -3.45 0.00 0.00 179.45 176.83 2x58 h GLU 346 N -0.59 0.65 -0.46 1.90 5.08 -1.56 -3.02 114.58 116.58 2x58 h GLU 346 Ca -0.01 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 2x58 h GLU 346 Cb 0.49 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2x58 h GLU 346 CO 0.02 1.01 0.18 0.00 -1.00 0.00 0.00 179.01 179.22 2x58 h ALA 347 N 0.92 0.60 -1.23 3.43 0.00 -1.29 -2.72 119.26 118.96 2x58 h ALA 347 Ca 0.02 -0.15 -0.77 0.00 0.00 0.00 0.00 54.91 54.01 2x58 h ALA 347 Cb 1.07 -0.18 -0.29 0.00 0.00 0.00 0.00 17.79 18.39 2x58 h ALA 347 CO 0.10 0.21 0.86 -1.13 0.00 0.00 0.00 179.25 179.29 2x58 n SER 348 N -4.59 7.12 0.00 0.00 3.41 -0.90 -3.32 113.62 115.35 2x58 n SER 348 Ca 0.01 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.87 2x58 n SER 348 Cb 0.15 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 2x58 n SER 348 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2x58 n ARG 349 N -0.28 0.00 -0.01 4.33 1.74 -1.04 -4.70 116.66 116.69 2x58 n ARG 349 Ca 0.48 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.66 2x58 n ARG 349 Cb 0.28 -0.41 -0.16 0.00 -1.02 0.00 0.00 32.46 31.15 2x58 n ARG 349 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2x58 n ALA 350 N 0.00 2.75 0.16 7.54 0.00 -1.15 -4.12 120.51 125.69 2x58 n ALA 350 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 53.44 52.95 2x58 n ALA 350 Cb 0.22 -0.71 0.26 0.00 0.00 0.00 0.00 19.45 19.22 2x58 n ALA 350 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2x58 h HIS 351 N 0.00 0.00 0.00 0.00 6.17 -1.84 -3.05 115.15 116.43 2x58 h HIS 351 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.07 2x58 h HIS 351 Cb 0.99 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.92 2x58 h HIS 351 CO 0.00 0.48 0.00 1.96 0.71 0.00 0.00 177.93 181.08 2x58 h GLN 352 N 0.00 0.00 0.00 5.26 1.08 -1.84 -3.44 115.11 116.17 2x58 h GLN 352 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2x58 h GLN 352 Cb 1.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 2x58 h GLN 352 CO 0.06 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 178.03 2x58 n ASN 353 N -2.86 0.39 -4.15 1.46 3.02 -1.16 -5.06 115.26 106.90 2x58 n ASN 353 Ca 0.02 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.19 2x58 n ASN 353 Cb 0.33 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 2x58 n ASN 353 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2x58 s GLY 354 N -0.42 3.01 -0.04 7.41 0.00 -1.26 -4.98 107.32 111.03 2x58 s GLY 354 Ca 0.00 -3.74 0.03 0.00 0.00 0.00 0.00 44.72 41.00 2x58 s GLY 354 CO 0.00 1.20 -0.12 1.62 0.00 0.00 0.00 173.10 175.80 2x58 s GLN 355 N -1.10 1.41 -0.68 2.90 2.00 -1.19 -4.41 119.66 118.58 2x58 s GLN 355 Ca 0.26 -0.41 -0.26 0.00 -2.00 0.00 0.00 55.36 52.95 2x58 s GLN 355 Cb -0.09 -1.23 -0.11 0.00 0.80 0.00 0.00 33.01 32.37 2x58 s GLN 355 CO -0.11 0.11 2.42 0.00 -0.50 0.00 0.00 175.29 177.21 2x58 s ALA 356 N 0.33 1.00 -1.13 1.58 0.00 -1.26 -4.75 121.76 117.54 2x58 s ALA 356 Ca -0.07 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.17 2x58 s ALA 356 Cb -0.12 -4.50 0.01 0.00 0.00 0.00 0.00 23.12 18.51 2x58 s ALA 356 CO 0.02 -5.43 1.74 0.45 0.00 0.00 0.00 175.76 172.54 2x58 s SER 357 N 11.39 6.05 -0.02 0.00 0.15 -1.26 -4.95 113.70 125.06 2x58 s SER 357 Ca 0.95 -1.69 -0.37 0.00 0.70 0.00 0.00 55.95 55.54 2x58 s SER 357 Cb -0.14 -2.58 -0.15 0.00 -1.71 0.00 0.00 66.02 61.44 2x58 s SER 357 CO 0.14 -1.96 1.57 0.00 1.20 0.00 0.00 173.24 174.19 2x58 n ALA 358 N 10.82 -0.09 -2.03 5.45 0.00 -1.26 -4.97 120.51 128.43 2x58 n ALA 358 Ca 0.42 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.89 2x58 n ALA 358 Cb 0.48 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 2x58 n ALA 358 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2x58 s LYS 359 N 1.87 4.73 -0.01 0.00 2.47 -1.26 -4.97 119.74 122.57 2x58 s LYS 359 Ca 0.88 1.53 -0.13 0.00 -1.56 0.00 0.00 55.97 56.70 2x58 s LYS 359 Cb -0.90 -3.32 -0.05 0.00 -1.46 0.00 0.00 37.83 32.10 2x58 s LYS 359 CO 0.51 0.29 0.36 -1.25 0.16 0.00 0.00 175.35 175.42 2x58 s PRO 360 N -0.53 3.80 -0.49 4.03 0.04 -1.26 -4.51 135.00 136.08 2x58 s PRO 360 Ca 0.45 0.28 -0.04 0.00 0.04 0.00 0.00 61.00 61.73 2x58 s PRO 360 Cb -0.26 -3.19 0.13 0.00 0.04 0.00 0.00 34.50 31.23 2x58 s PRO 360 CO 0.32 0.69 0.30 0.15 0.04 0.00 0.00 177.00 178.50 2x58 s LYS 361 N -1.18 2.25 -0.02 4.56 1.02 -1.26 -5.07 119.74 120.04 2x58 s LYS 361 Ca 0.23 -2.05 -0.07 0.00 0.02 0.00 0.00 55.97 54.11 2x58 s LYS 361 Cb -0.15 -3.68 0.01 0.00 -0.52 0.00 0.00 37.83 33.48 2x58 s LYS 361 CO 0.12 -1.12 0.14 -0.48 -0.92 0.00 0.00 175.35 173.09 2x58 s LEU 362 N 0.78 1.51 0.03 3.17 0.05 -1.26 0.13 118.68 123.09 2x58 s LEU 362 Ca 0.11 -0.03 0.01 0.00 0.05 0.00 0.00 54.13 54.27 2x58 s LEU 362 Cb -0.22 0.62 -0.02 0.00 -2.05 0.00 0.00 46.19 44.52 2x58 s LEU 362 CO -0.04 -0.26 -0.05 0.00 -0.55 0.00 0.00 176.35 175.46 2x58 s ARG 363 N -0.87 0.38 0.16 1.48 1.70 -0.21 -4.96 118.95 116.62 2x58 s ARG 363 Ca -0.10 -0.63 0.06 0.00 -0.47 0.00 0.00 55.73 54.59 2x58 s ARG 363 Cb -0.05 -0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.23 2x58 s ARG 363 CO 0.01 -0.01 0.05 -0.06 -1.08 0.00 0.00 175.30 174.21 2x58 s PHE 364 N -1.35 2.97 0.29 5.89 0.08 -1.26 -0.45 117.98 124.14 2x58 s PHE 364 Ca -0.13 -0.08 -0.12 0.00 0.12 0.00 0.00 56.93 56.72 2x58 s PHE 364 Cb -0.09 -1.44 0.01 0.00 -0.57 0.00 0.00 43.02 40.92 2x58 s PHE 364 CO -0.00 0.52 0.55 0.45 -0.10 0.00 0.00 175.22 176.63 2x58 s SER 365 N -2.94 0.09 0.00 1.36 0.15 -0.87 -4.93 113.70 106.55 2x58 s SER 365 Ca 0.29 -1.03 0.01 0.00 0.70 0.00 0.00 55.95 55.92 2x58 s SER 365 Cb -0.10 0.65 0.02 0.00 -1.71 0.00 0.00 66.02 64.89 2x58 s SER 365 CO 0.20 -1.27 0.94 -1.54 1.20 0.00 0.00 173.24 172.78 2x58 n SER 366 N -0.72 1.91 -4.46 5.45 3.41 -1.26 -2.43 113.62 115.52 2x58 n SER 366 Ca -0.02 -1.85 -0.33 0.00 -0.26 0.00 0.00 58.87 56.41 2x58 n SER 366 Cb 0.61 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 64.42 2x58 n SER 366 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2x58 s SER 367 N -0.85 4.41 0.00 4.04 0.15 -1.26 -4.21 113.70 115.97 2x58 s SER 367 Ca 0.02 -0.19 0.28 0.00 0.70 0.00 0.00 55.95 56.76 2x58 s SER 367 Cb 0.01 -1.53 1.64 0.00 -1.71 0.00 0.00 66.02 64.43 2x58 s SER 367 CO 0.01 0.22 2.00 0.35 1.20 0.00 0.00 173.24 177.02 2x58 n THR 368 N 3.18 0.01 0.06 6.45 -2.24 -1.26 -3.05 114.28 117.44 2x58 n THR 368 Ca -0.18 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2x58 n THR 368 Cb 0.53 -0.57 0.40 0.00 -2.10 0.00 0.00 70.33 68.59 2x58 n THR 368 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2x58 h LYS 369 N 0.00 0.39 0.00 -0.78 1.57 -1.99 -2.71 116.57 113.05 2x58 h LYS 369 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2x58 h LYS 369 Cb 0.02 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2x58 h LYS 369 CO 0.00 0.38 0.00 0.39 -0.57 0.00 0.00 179.45 179.65 2x58 n GLU 370 N -4.37 0.03 -0.38 3.15 -0.58 -1.17 -3.30 120.64 114.02 2x58 n GLU 370 Ca 0.01 0.33 0.10 0.00 -0.42 0.00 0.00 57.16 57.17 2x58 n GLU 370 Cb 0.17 -1.50 0.29 0.00 -0.57 0.00 0.00 31.44 29.83 2x58 n GLU 370 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2x58 n LEU 371 N -1.36 3.87 0.20 -4.62 4.32 -1.02 -4.25 117.00 114.14 2x58 n LEU 371 Ca 0.01 -2.14 0.09 0.00 -0.02 0.00 0.00 56.01 53.96 2x58 n LEU 371 Cb 0.03 -0.45 0.16 0.00 -1.62 0.00 0.00 43.42 41.54 2x58 n LEU 371 CO 0.03 0.88 0.72 0.77 -1.22 0.00 0.00 177.39 178.56 2x58 h SER 372 N 3.58 0.00 -0.36 -1.43 4.64 -1.74 -3.29 113.55 114.95 2x58 h SER 372 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x58 h SER 372 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2x58 h SER 372 CO 0.06 0.16 0.00 1.07 -0.87 0.00 0.00 176.83 177.25 2x58 n THR 373 N -3.15 1.23 -4.28 2.95 5.66 -1.26 -1.13 114.28 114.31 2x58 n THR 373 Ca 0.03 -0.72 -0.29 0.00 -3.05 0.00 0.00 64.05 60.02 2x58 n THR 373 Cb 0.58 -0.16 -0.10 0.00 -1.55 0.00 0.00 70.33 69.10 2x58 n THR 373 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2x58 s VAL 374 N -1.81 3.07 0.19 1.08 -7.23 -1.24 -5.01 120.40 109.44 2x58 s VAL 374 Ca 0.30 -1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2x58 s VAL 374 Cb 0.21 -2.44 -0.06 0.00 0.56 0.00 0.00 36.38 34.65 2x58 s VAL 374 CO 0.12 0.07 1.50 0.44 -0.31 0.00 0.00 175.10 176.92 2x58 h ASP 375 N 3.55 0.65 -4.34 4.85 3.32 -1.81 -3.43 116.42 119.21 2x58 h ASP 375 Ca -0.49 -0.34 -0.13 0.00 0.02 0.00 0.00 57.03 56.08 2x58 h ASP 375 Cb 1.17 -0.19 -0.23 0.00 0.22 0.00 0.00 39.33 40.31 2x58 h ASP 375 CO 0.49 1.06 -0.32 -0.22 -1.72 0.00 0.00 179.24 178.53 2x58 s LEU 376 N -8.38 0.84 -0.07 1.55 0.20 -1.18 -1.23 118.68 110.42 2x58 s LEU 376 Ca -0.08 0.39 0.03 0.00 0.69 0.00 0.00 54.13 55.17 2x58 s LEU 376 Cb 0.11 1.14 0.00 0.00 -0.43 0.00 0.00 46.19 47.02 2x58 s LEU 376 CO 0.84 -0.25 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.79 2x58 s VAL 377 N -0.48 1.47 -0.27 1.68 1.01 0.43 -0.34 120.40 123.90 2x58 s VAL 377 Ca -0.06 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 2x58 s VAL 377 Cb -0.04 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 2x58 s VAL 377 CO 0.02 0.43 0.08 -0.69 0.00 0.00 0.00 175.10 174.93 2x58 s VAL 378 N 0.39 4.22 -0.18 2.92 1.01 0.16 -0.90 120.40 128.03 2x58 s VAL 378 Ca -0.13 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 2x58 s VAL 378 Cb -0.15 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2x58 s VAL 378 CO 0.05 0.25 0.62 -0.70 0.00 0.00 0.00 175.10 175.31 2x58 s GLU 379 N 1.58 4.25 -0.40 2.72 -6.30 0.40 -1.42 118.70 119.52 2x58 s GLU 379 Ca 0.05 0.62 0.10 0.00 -2.50 0.00 0.00 54.97 53.24 2x58 s GLU 379 Cb -0.16 -3.55 0.32 0.00 0.00 0.00 0.00 34.13 30.74 2x58 s GLU 379 CO 0.03 -0.16 0.69 0.00 0.02 0.00 0.00 175.26 175.84 2x58 n ALA 380 N 4.77 2.39 -2.61 6.30 0.00 0.28 -1.31 120.51 130.32 2x58 n ALA 380 Ca -0.02 -3.55 -0.27 0.00 0.00 0.00 0.00 53.44 49.60 2x58 n ALA 380 Cb 0.50 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 2x58 n ALA 380 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2x58 s VAL 381 N -2.25 1.73 0.02 0.00 -7.23 -1.26 -4.44 120.40 106.99 2x58 s VAL 381 Ca 0.39 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.38 2x58 s VAL 381 Cb 0.29 -2.85 -0.10 0.00 0.56 0.00 0.00 36.38 34.28 2x58 s VAL 381 CO -0.09 0.00 0.46 0.49 -0.31 0.00 0.00 175.10 175.65 2x58 n PHE 382 N -0.96 0.18 -1.50 2.82 3.72 -1.26 -4.74 117.46 115.71 2x58 n PHE 382 Ca -0.06 0.51 -0.40 0.00 -0.05 0.00 0.00 57.45 57.45 2x58 n PHE 382 Cb 0.67 -1.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.14 2x58 n PHE 382 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2x58 n GLU 383 N 0.68 1.81 -4.08 -1.08 4.07 -1.26 -4.71 120.64 116.07 2x58 n GLU 383 Ca 0.10 -2.16 -0.23 0.00 -0.06 0.00 0.00 57.16 54.80 2x58 n GLU 383 Cb 0.06 -3.17 -0.17 0.00 -0.06 0.00 0.00 31.44 28.10 2x58 n GLU 383 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2x58 s ASP 384 N 5.00 1.55 0.25 4.31 2.15 -1.26 -5.05 116.67 123.62 2x58 s ASP 384 Ca 0.58 -0.19 -0.06 0.00 0.43 0.00 0.00 52.55 53.31 2x58 s ASP 384 Cb 0.11 -0.61 0.27 0.00 -0.30 0.00 0.00 42.92 42.39 2x58 s ASP 384 CO 0.09 -0.09 1.91 -0.03 -0.17 0.00 0.00 175.17 176.88 2x58 h MET 385 N 7.65 1.26 -0.16 4.34 1.85 -2.00 -1.56 114.93 126.31 2x58 h MET 385 Ca -0.30 -0.10 -0.01 0.00 -0.61 0.00 0.00 59.70 58.67 2x58 h MET 385 Cb 1.15 -0.27 -0.01 0.00 0.43 0.00 0.00 31.60 32.90 2x58 h MET 385 CO 0.41 0.87 0.05 -0.91 -0.40 0.00 0.00 176.91 176.93 2x58 h ASN 386 N 1.29 0.24 -0.58 1.39 2.35 -1.97 -2.65 115.58 115.65 2x58 h ASN 386 Ca 0.34 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.91 2x58 h ASN 386 Cb -0.09 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 2x58 h ASN 386 CO -0.07 0.37 0.37 0.25 -1.65 0.00 0.00 177.43 176.70 2x58 h LEU 387 N 0.09 0.62 0.10 1.61 5.85 -1.82 -2.68 115.31 119.09 2x58 h LEU 387 Ca 0.05 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2x58 h LEU 387 Cb 0.22 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2x58 h LEU 387 CO -0.00 0.45 -0.16 0.11 -0.34 0.00 0.00 178.44 178.49 2x58 h LYS 388 N 0.75 -0.27 -0.90 1.25 1.79 -1.24 -0.78 116.57 117.16 2x58 h LYS 388 Ca 0.22 0.02 0.23 0.00 -2.18 0.00 0.00 60.65 58.94 2x58 h LYS 388 Cb -0.04 0.06 -0.17 0.00 -1.58 0.00 0.00 32.23 30.50 2x58 h LYS 388 CO -0.07 -0.18 -0.04 1.63 -1.08 0.00 0.00 179.45 179.70 2x58 n LYS 389 N -3.34 -0.07 0.04 3.15 5.02 -1.00 -0.26 118.16 121.69 2x58 n LYS 389 Ca -0.03 1.37 -0.13 0.00 -2.02 0.00 0.00 58.31 57.50 2x58 n LYS 389 Cb 0.14 -2.14 -0.08 0.00 -0.02 0.00 0.00 35.03 32.92 2x58 n LYS 389 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2x58 h LYS 390 N 0.00 -0.06 -0.41 1.97 3.64 -1.28 -1.85 116.57 118.58 2x58 h LYS 390 Ca 0.52 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 2x58 h LYS 390 Cb 1.01 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 2x58 h LYS 390 CO -0.87 0.15 0.27 0.28 -2.27 0.00 0.00 179.45 177.01 2x58 h VAL 391 N -0.27 1.10 0.03 2.00 2.07 0.90 -1.14 116.25 120.94 2x58 h VAL 391 Ca -0.01 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2x58 h VAL 391 Cb 0.24 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2x58 h VAL 391 CO 0.01 0.10 -0.01 -0.26 0.02 0.00 0.00 177.57 177.43 2x58 h PHE 392 N 0.55 -0.04 -0.93 1.57 -1.00 -0.84 -2.62 116.94 113.63 2x58 h PHE 392 Ca 0.15 -0.00 0.19 0.00 2.81 0.00 0.00 57.97 61.12 2x58 h PHE 392 Cb -0.06 0.01 -0.08 0.00 3.61 0.00 0.00 35.95 39.43 2x58 h PHE 392 CO -0.00 0.65 0.60 0.00 -1.61 0.00 0.00 178.31 177.96 2x58 h ALA 393 N 0.04 1.99 0.00 2.45 0.00 -1.13 0.61 119.26 123.21 2x58 h ALA 393 Ca -0.00 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2x58 h ALA 393 Cb 0.71 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2x58 h ALA 393 CO 0.01 -0.29 -0.39 1.49 0.00 0.00 0.00 179.25 180.06 2x58 h GLU 394 N 0.56 0.00 0.10 0.00 4.81 -1.25 -2.34 114.58 116.47 2x58 h GLU 394 Ca 0.50 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.43 2x58 h GLU 394 Cb 1.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2x58 h GLU 394 CO -0.24 0.39 -1.51 -0.07 -0.73 0.00 0.00 179.01 176.85 2x58 h LEU 395 N 0.00 0.34 -1.61 1.64 3.38 -0.35 -2.98 115.31 115.73 2x58 h LEU 395 Ca -0.00 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 2x58 h LEU 395 Cb 0.74 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2x58 h LEU 395 CO 0.05 1.40 -0.16 -1.28 0.09 0.00 0.00 178.44 178.54 2x58 h SER 396 N 0.06 0.00 0.31 -0.43 0.87 0.15 0.22 113.55 114.74 2x58 h SER 396 Ca -0.23 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.00 2x58 h SER 396 Cb 2.00 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.98 2x58 h SER 396 CO 0.15 0.16 -1.52 0.00 -0.53 0.00 0.00 176.83 175.09 2x58 h ALA 397 N 1.84 -0.02 0.03 6.23 0.00 -1.51 -3.43 119.26 122.39 2x58 h ALA 397 Ca -0.00 -0.95 -0.37 0.00 0.00 0.00 0.00 54.91 53.59 2x58 h ALA 397 Cb 0.50 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2x58 h ALA 397 CO 0.02 0.85 -2.26 -0.11 0.00 0.00 0.00 179.25 177.75 2x58 n LEU 398 N -3.64 1.86 -4.81 0.00 7.94 -0.73 -4.95 117.00 112.67 2x58 n LEU 398 Ca -0.18 0.04 -0.33 0.00 -1.11 0.00 0.00 56.01 54.43 2x58 n LEU 398 Cb 1.08 -0.44 -0.05 0.00 0.53 0.00 0.00 43.42 44.54 2x58 n LEU 398 CO 0.57 0.74 0.68 0.00 -1.11 0.00 0.00 177.39 178.26 2x58 n LYS 400 N -0.79 0.65 -2.07 0.00 2.85 -0.28 -4.91 118.16 113.60 2x58 n LYS 400 Ca 0.08 0.28 -0.36 0.00 -1.05 0.00 0.00 58.31 57.26 2x58 n LYS 400 Cb 0.53 -2.36 0.02 0.00 -0.65 0.00 0.00 35.03 32.57 2x58 n LYS 400 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 2x58 s PRO 401 N -3.48 3.12 0.00 -1.58 0.02 -1.26 -2.30 135.00 129.52 2x58 s PRO 401 Ca 0.77 1.80 0.00 0.00 0.02 0.00 0.00 61.00 63.58 2x58 s PRO 401 Cb -0.35 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.17 2x58 s PRO 401 CO 0.47 -1.08 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 2x58 n GLY 402 N 0.44 0.32 3.76 0.52 0.00 -1.26 -5.02 105.19 103.95 2x58 n GLY 402 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2x58 n GLY 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x58 s ALA 403 N -1.68 3.40 -0.00 4.61 0.00 -0.97 -5.00 121.76 122.11 2x58 s ALA 403 Ca 0.00 0.49 -0.18 0.00 0.00 0.00 0.00 51.96 52.26 2x58 s ALA 403 Cb 0.00 -3.08 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 2x58 s ALA 403 CO 0.00 0.25 0.52 -0.06 0.00 0.00 0.00 175.76 176.48 2x58 s PHE 404 N -1.16 3.70 -0.29 0.00 0.08 -0.37 -4.94 117.98 115.00 2x58 s PHE 404 Ca 0.38 1.12 0.02 0.00 0.12 0.00 0.00 56.93 58.57 2x58 s PHE 404 Cb -0.25 -2.49 0.07 0.00 -0.57 0.00 0.00 43.02 39.78 2x58 s PHE 404 CO 0.29 0.45 -0.04 -0.51 -0.10 0.00 0.00 175.22 175.31 2x58 s LEU 405 N -0.51 3.86 -0.11 -0.37 1.43 0.10 -0.43 118.68 122.64 2x58 s LEU 405 Ca 0.28 -1.51 -0.01 0.00 -1.03 0.00 0.00 54.13 51.86 2x58 s LEU 405 Cb -0.18 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 2x58 s LEU 405 CO 0.16 -0.26 -0.09 0.00 0.23 0.00 0.00 176.35 176.39 2x58 s THR 407 N -0.06 5.29 -0.44 0.00 -1.32 -0.54 -0.46 115.64 118.12 2x58 s THR 407 Ca -0.01 0.52 -0.01 0.00 -1.21 0.00 0.00 61.69 60.99 2x58 s THR 407 Cb -0.14 -3.59 0.33 0.00 -1.51 0.00 0.00 72.50 67.59 2x58 s THR 407 CO 0.03 0.48 1.97 -3.20 -2.21 0.00 0.00 174.62 171.69 2x58 n ASN 408 N 2.84 6.45 -4.75 8.08 5.15 -0.43 -0.22 115.26 132.38 2x58 n ASN 408 Ca -0.14 -3.31 -0.32 0.00 -0.60 0.00 0.00 54.58 50.20 2x58 n ASN 408 Cb 0.53 -0.98 0.09 0.00 -0.53 0.00 0.00 39.78 38.89 2x58 n ASN 408 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2x58 s THR 409 N -3.14 2.98 -0.21 -0.44 -1.32 -1.26 -4.76 115.64 107.49 2x58 s THR 409 Ca 0.44 0.37 0.00 0.00 -1.21 0.00 0.00 61.69 61.29 2x58 s THR 409 Cb 0.35 -2.80 -0.13 0.00 -1.51 0.00 0.00 72.50 68.41 2x58 s THR 409 CO 0.01 -0.37 -0.19 -1.20 -2.21 0.00 0.00 174.62 170.66 2x58 n SER 410 N -3.26 2.30 0.00 8.08 7.64 -1.26 -4.69 113.62 122.43 2x58 n SER 410 Ca 0.10 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2x58 n SER 410 Cb 0.52 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 2x58 n SER 410 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x58 n ALA 411 N -3.20 1.60 -2.68 -0.43 0.00 -1.26 -4.48 120.51 110.05 2x58 n ALA 411 Ca -0.37 -0.29 -0.37 0.00 0.00 0.00 0.00 53.44 52.41 2x58 n ALA 411 Cb 0.88 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.27 2x58 n ALA 411 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2x58 s LEU 412 N -0.16 4.33 0.01 0.00 1.43 -1.26 -4.92 118.68 118.11 2x58 s LEU 412 Ca 0.00 0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 53.46 2x58 s LEU 412 Cb 0.00 -2.41 -0.09 0.00 0.03 0.00 0.00 46.19 43.72 2x58 s LEU 412 CO 0.00 0.20 2.00 0.21 0.23 0.00 0.00 176.35 178.99 2x58 s ASN 413 N -0.19 6.34 0.44 2.29 3.84 -1.26 -4.87 114.94 121.54 2x58 s ASN 413 Ca 0.19 2.60 0.22 0.00 0.21 0.00 0.00 52.86 56.08 2x58 s ASN 413 Cb -0.14 -2.53 1.03 0.00 -0.55 0.00 0.00 41.25 39.06 2x58 s ASN 413 CO 0.07 -1.15 1.90 1.62 -2.79 0.00 0.00 177.10 176.75 2x58 h VAL 414 N 5.80 0.76 -0.24 -5.21 3.04 -1.95 -3.00 116.25 115.45 2x58 h VAL 414 Ca -0.49 -1.01 0.03 0.00 -1.01 0.00 0.00 66.70 64.22 2x58 h VAL 414 Cb 1.24 1.63 -0.03 0.00 -2.01 0.00 0.00 31.29 32.12 2x58 h VAL 414 CO 0.94 0.24 0.05 0.44 -1.01 0.00 0.00 177.57 178.23 2x58 h ASP 415 N 0.00 0.01 0.30 3.17 3.32 -1.95 -1.14 116.42 120.14 2x58 h ASP 415 Ca -0.00 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2x58 h ASP 415 Cb 0.61 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 2x58 h ASP 415 CO 0.03 0.04 -0.14 0.44 -1.72 0.00 0.00 179.24 177.90 2x58 h ASP 416 N 0.14 0.00 0.51 6.45 3.32 -1.93 -0.24 116.42 124.68 2x58 h ASP 416 Ca 0.11 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.89 2x58 h ASP 416 Cb 0.11 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.66 2x58 h ASP 416 CO -0.14 0.14 -1.18 0.40 -1.72 0.00 0.00 179.24 176.73 2x58 h ILE 417 N 0.00 1.45 -0.41 0.35 2.04 -1.45 -3.23 117.51 116.26 2x58 h ILE 417 Ca -0.00 -2.86 -0.10 0.00 1.00 0.00 0.00 64.86 62.90 2x58 h ILE 417 Cb 0.32 2.81 -0.02 0.00 -0.74 0.00 0.00 36.82 39.19 2x58 h ILE 417 CO 0.02 0.84 -0.14 0.00 0.00 0.00 0.00 178.15 178.86 2x58 h ALA 418 N 0.59 0.98 0.00 1.87 0.00 -0.41 -3.21 119.26 119.07 2x58 h ALA 418 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2x58 h ALA 418 Cb 1.88 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2x58 h ALA 418 CO 0.20 0.60 0.00 0.66 0.00 0.00 0.00 179.25 180.71 2x58 h SER 419 N 0.68 0.00 -0.97 0.00 4.64 -1.09 -1.04 113.55 115.77 2x58 h SER 419 Ca 0.11 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.77 2x58 h SER 419 Cb 0.63 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.40 2x58 h SER 419 CO 0.04 0.00 0.55 -1.54 -0.87 0.00 0.00 176.83 175.01 2x58 n SER 420 N -2.86 7.17 -4.02 4.97 3.41 -1.21 -4.97 113.62 116.10 2x58 n SER 420 Ca -0.01 -3.78 -0.08 0.00 -0.26 0.00 0.00 58.87 54.74 2x58 n SER 420 Cb 0.15 -0.86 -0.10 0.00 -0.26 0.00 0.00 64.21 63.15 2x58 n SER 420 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2x58 s THR 421 N -4.79 0.19 -2.06 6.66 -4.23 -0.40 -2.89 115.64 108.11 2x58 s THR 421 Ca 0.62 -1.54 0.19 0.00 -1.18 0.00 0.00 61.69 59.78 2x58 s THR 421 Cb 0.49 -1.31 0.51 0.00 1.34 0.00 0.00 72.50 73.53 2x58 s THR 421 CO -0.01 -0.85 1.67 0.47 -0.54 0.00 0.00 174.62 175.36 2x58 n ASP 422 N 0.29 0.37 -3.07 3.99 9.92 -1.26 -4.24 116.55 122.55 2x58 n ASP 422 Ca -0.16 -1.49 -0.16 0.00 -0.53 0.00 0.00 54.79 52.45 2x58 n ASP 422 Cb 0.60 -0.02 -0.01 0.00 -0.64 0.00 0.00 41.12 41.05 2x58 n ASP 422 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2x58 n ARG 423 N -0.54 0.92 -0.20 -1.24 1.85 -1.26 -4.94 116.66 111.26 2x58 n ARG 423 Ca 0.14 -2.94 0.17 0.00 -1.00 0.00 0.00 57.85 54.22 2x58 n ARG 423 Cb 0.12 -1.47 0.51 0.00 -1.05 0.00 0.00 32.46 30.57 2x58 n ARG 423 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 2x58 h PRO 424 N 3.23 0.40 0.00 2.89 0.11 -1.77 0.25 132.00 137.11 2x58 h PRO 424 Ca 0.04 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 2x58 h PRO 424 Cb 0.99 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 2x58 h PRO 424 CO 0.40 0.26 -0.02 1.96 -0.21 0.00 0.00 178.00 180.40 2x58 h GLN 425 N 0.41 0.00 -0.41 1.05 4.20 -1.92 -2.68 115.11 115.76 2x58 h GLN 425 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 2x58 h GLN 425 Cb 1.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 2x58 h GLN 425 CO -0.14 0.02 0.00 1.28 -0.67 0.00 0.00 178.83 179.32 2x58 n LEU 426 N -3.34 4.04 -4.27 1.46 4.77 0.87 -1.51 117.00 119.02 2x58 n LEU 426 Ca -0.02 -2.61 -0.34 0.00 -0.03 0.00 0.00 56.01 53.00 2x58 n LEU 426 Cb 0.13 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.59 2x58 n LEU 426 CO 0.24 0.72 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.91 2x58 s VAL 427 N -2.12 3.06 0.03 4.08 1.01 -1.01 -0.72 120.40 124.73 2x58 s VAL 427 Ca 0.41 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 2x58 s VAL 427 Cb 0.29 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2x58 s VAL 427 CO 0.15 0.46 0.00 -0.51 0.00 0.00 0.00 175.10 175.20 2x58 s ILE 428 N 1.33 0.15 -0.11 2.22 2.07 -0.49 -4.13 121.20 122.23 2x58 s ILE 428 Ca 0.04 -1.22 -0.26 0.00 -1.41 0.00 0.00 60.65 57.81 2x58 s ILE 428 Cb -0.14 -0.79 -0.02 0.00 0.13 0.00 0.00 42.46 41.64 2x58 s ILE 428 CO -0.05 -0.67 0.82 -0.83 -1.91 0.00 0.00 174.94 172.31 2x58 s GLY 429 N -2.05 2.37 -0.45 1.50 0.00 0.13 -1.47 107.32 107.35 2x58 s GLY 429 Ca -0.06 0.15 0.03 0.00 0.00 0.00 0.00 44.72 44.84 2x58 s GLY 429 CO -0.04 1.55 0.19 -0.51 0.00 0.00 0.00 173.10 174.29 2x58 s THR 430 N 1.62 2.19 -0.79 0.90 -4.23 0.69 -0.12 115.64 115.90 2x58 s THR 430 Ca 0.40 -2.81 -0.23 0.00 -1.18 0.00 0.00 61.69 57.87 2x58 s THR 430 Cb -0.18 -2.55 0.07 0.00 1.34 0.00 0.00 72.50 71.18 2x58 s THR 430 CO 0.16 -0.76 1.15 -2.28 -0.54 0.00 0.00 174.62 172.36 2x58 s HIS 431 N 0.25 2.65 1.07 3.99 5.04 0.06 -3.88 115.29 124.47 2x58 s HIS 431 Ca 0.15 -0.65 -0.17 0.00 -1.54 0.00 0.00 55.06 52.85 2x58 s HIS 431 Cb -0.23 -4.44 0.23 0.00 0.04 0.00 0.00 32.58 28.18 2x58 s HIS 431 CO -0.04 -1.76 1.19 -0.06 -2.34 0.00 0.00 174.74 171.73 2x58 s PHE 432 N 4.32 1.23 -0.03 3.88 0.40 -1.26 -2.07 117.98 124.45 2x58 s PHE 432 Ca 0.31 0.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.14 2x58 s PHE 432 Cb -0.10 -3.69 0.03 0.00 0.51 0.00 0.00 43.02 39.77 2x58 s PHE 432 CO 0.04 -3.18 -0.00 -0.06 0.70 0.00 0.00 175.22 172.72 2x58 s PHE 433 N -3.37 0.34 0.09 0.36 0.40 -1.26 -4.91 117.98 109.63 2x58 s PHE 433 Ca 0.71 -0.01 -0.15 0.00 -0.60 0.00 0.00 56.93 56.88 2x58 s PHE 433 Cb -0.08 -0.42 -0.06 0.00 0.51 0.00 0.00 43.02 42.96 2x58 s PHE 433 CO 0.54 -0.13 0.51 0.45 0.70 0.00 0.00 175.22 177.29 2x58 s SER 434 N 1.01 6.86 0.02 1.36 0.15 -1.26 -2.75 113.70 119.09 2x58 s SER 434 Ca -0.10 1.07 -0.30 0.00 0.70 0.00 0.00 55.95 57.31 2x58 s SER 434 Cb -0.14 -2.29 -0.07 0.00 -1.71 0.00 0.00 66.02 61.82 2x58 s SER 434 CO -0.02 0.19 1.67 -2.84 1.20 0.00 0.00 173.24 173.44 2x58 s PRO 435 N -1.59 4.19 0.00 5.44 0.02 -1.26 -4.83 135.00 136.98 2x58 s PRO 435 Ca 0.32 2.29 0.16 0.00 0.02 0.00 0.00 61.00 63.79 2x58 s PRO 435 Cb -0.16 -3.78 0.72 0.00 0.02 0.00 0.00 34.50 31.30 2x58 s PRO 435 CO 0.18 -0.78 1.48 0.00 -0.33 0.00 0.00 177.00 177.55 2x58 n ALA 436 N 6.27 1.78 0.87 -1.55 0.00 -1.11 -0.79 120.51 125.98 2x58 n ALA 436 Ca 0.16 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.66 2x58 n ALA 436 Cb 0.41 -1.25 0.08 0.00 0.00 0.00 0.00 19.45 18.69 2x58 n ALA 436 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2x58 n HIS 437 N -1.42 0.08 -0.02 0.00 1.44 -1.26 -4.39 115.22 109.66 2x58 n HIS 437 Ca 0.05 0.02 -0.03 0.00 -2.01 0.00 0.00 57.72 55.75 2x58 n HIS 437 Cb 0.16 -0.24 -0.01 0.00 0.12 0.00 0.00 29.99 30.02 2x58 n HIS 437 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2x58 n VAL 438 N -1.64 0.98 -1.64 0.61 0.31 -0.13 -4.88 118.33 111.94 2x58 n VAL 438 Ca 0.04 0.27 -0.51 0.00 -0.01 0.00 0.00 64.34 64.13 2x58 n VAL 438 Cb 0.36 -1.78 -0.05 0.00 -0.91 0.00 0.00 33.84 31.46 2x58 n VAL 438 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2x58 n MET 439 N -3.57 1.52 0.02 5.55 2.81 0.03 -4.92 117.12 118.56 2x58 n MET 439 Ca -0.05 0.55 -0.04 0.00 -1.81 0.00 0.00 57.70 56.35 2x58 n MET 439 Cb 0.19 -2.25 -0.10 0.00 -0.71 0.00 0.00 33.22 30.35 2x58 n MET 439 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2x58 h ARG 440 N 5.67 0.00 -6.75 0.03 3.08 -1.88 -3.44 114.38 111.09 2x58 h ARG 440 Ca -0.47 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.06 2x58 h ARG 440 Cb 1.30 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.41 2x58 h ARG 440 CO 0.85 0.44 0.73 -1.17 -1.07 0.00 0.00 179.97 179.74 2x58 s LEU 441 N -6.02 4.39 -0.27 3.04 2.96 -1.26 0.56 118.68 122.10 2x58 s LEU 441 Ca -0.03 2.62 -0.01 0.00 -0.22 0.00 0.00 54.13 56.49 2x58 s LEU 441 Cb 0.08 -3.62 0.08 0.00 0.50 0.00 0.00 46.19 43.23 2x58 s LEU 441 CO 0.81 -0.66 0.05 -0.22 -1.32 0.00 0.00 176.35 175.02 2x58 s LEU 442 N -0.46 2.11 0.19 -0.68 2.96 -0.60 -4.17 118.68 118.03 2x58 s LEU 442 Ca 0.58 -1.35 -0.30 0.00 -0.22 0.00 0.00 54.13 52.84 2x58 s LEU 442 Cb -0.41 -0.88 -0.08 0.00 0.50 0.00 0.00 46.19 45.33 2x58 s LEU 442 CO 0.43 -0.35 1.20 -1.61 -1.32 0.00 0.00 176.35 174.70 2x58 s GLU 443 N 1.62 4.49 -0.18 1.98 2.02 -0.88 -1.50 118.70 126.24 2x58 s GLU 443 Ca 0.04 1.89 0.01 0.00 0.02 0.00 0.00 54.97 56.93 2x58 s GLU 443 Cb -0.18 -3.24 0.03 0.00 0.10 0.00 0.00 34.13 30.85 2x58 s GLU 443 CO -0.16 -0.10 -0.16 0.08 0.02 0.00 0.00 175.26 174.94 2x58 s VAL 444 N -0.06 1.88 -0.36 2.63 1.01 0.19 -0.76 120.40 124.93 2x58 s VAL 444 Ca 0.53 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.60 2x58 s VAL 444 Cb -0.33 -1.79 0.10 0.00 0.00 0.00 0.00 36.38 34.37 2x58 s VAL 444 CO 0.37 0.40 0.08 -0.63 0.00 0.00 0.00 175.10 175.31 2x58 s ILE 445 N 1.34 2.35 0.29 2.22 1.09 0.83 -0.58 121.20 128.74 2x58 s ILE 445 Ca 0.02 -2.42 -0.29 0.00 -1.10 0.00 0.00 60.65 56.86 2x58 s ILE 445 Cb -0.14 -2.72 -0.10 0.00 -1.06 0.00 0.00 42.46 38.43 2x58 s ILE 445 CO -0.11 -0.62 1.40 -2.84 -0.10 0.00 0.00 174.94 172.67 2x58 s PRO 446 N 0.80 4.28 0.38 2.79 0.02 -1.26 0.20 135.00 142.21 2x58 s PRO 446 Ca 0.11 2.30 -0.06 0.00 0.02 0.00 0.00 61.00 63.37 2x58 s PRO 446 Cb -0.20 -3.08 0.09 0.00 0.02 0.00 0.00 34.50 31.33 2x58 s PRO 446 CO -0.07 -0.35 0.44 -1.13 -0.33 0.00 0.00 177.00 175.56 2x58 n SER 447 N 1.66 -0.48 0.28 2.53 3.41 -1.26 -4.71 113.62 115.06 2x58 n SER 447 Ca 0.04 -1.01 0.18 0.00 -0.26 0.00 0.00 58.87 57.82 2x58 n SER 447 Cb 0.41 -0.36 0.97 0.00 -0.26 0.00 0.00 64.21 64.96 2x58 n SER 447 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2x58 h ARG 448 N 0.00 0.00 0.00 4.33 3.08 -1.93 -3.28 114.38 116.58 2x58 h ARG 448 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2x58 h ARG 448 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2x58 h ARG 448 CO 0.10 0.00 -0.17 0.66 -1.07 0.00 0.00 179.97 179.49 2x58 n TYR 449 N -3.51 0.00 -1.67 3.04 4.01 -1.26 -5.03 117.16 112.73 2x58 n TYR 449 Ca -0.01 0.00 -0.56 0.00 -0.16 0.00 0.00 57.90 57.16 2x58 n TYR 449 Cb 0.19 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.15 2x58 n TYR 449 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2x58 n SER 450 N -1.00 2.13 -4.80 7.72 7.64 -1.24 -3.96 113.62 120.11 2x58 n SER 450 Ca 0.00 1.09 -0.34 0.00 1.01 0.00 0.00 58.87 60.63 2x58 n SER 450 Cb 0.00 -1.15 -0.02 0.00 -1.01 0.00 0.00 64.21 62.03 2x58 n SER 450 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2x58 s SER 451 N 2.61 6.19 0.33 6.43 1.04 -0.57 -4.89 113.70 124.85 2x58 s SER 451 Ca 0.94 1.91 0.12 0.00 0.48 0.00 0.00 55.95 59.40 2x58 s SER 451 Cb -1.05 -2.55 0.94 0.00 0.10 0.00 0.00 66.02 63.46 2x58 s SER 451 CO 0.60 -0.88 1.73 -0.65 0.98 0.00 0.00 173.24 175.02 2x58 h PRO 452 N 1.29 0.51 0.29 4.02 0.11 -1.91 -1.22 132.00 135.10 2x58 h PRO 452 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2x58 h PRO 452 Cb 1.22 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2x58 h PRO 452 CO 0.59 0.34 -0.16 1.15 -0.21 0.00 0.00 178.00 179.70 2x58 h THR 453 N 0.53 0.66 -0.51 -1.15 2.02 -1.93 -0.82 112.91 111.72 2x58 h THR 453 Ca 0.65 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.88 2x58 h THR 453 Cb 1.32 0.66 -0.08 0.00 -1.74 0.00 0.00 68.15 68.31 2x58 h THR 453 CO -0.46 0.00 -0.49 0.74 0.37 0.00 0.00 175.52 175.68 2x58 h THR 454 N -0.43 0.00 -0.40 3.16 2.02 -1.53 0.59 112.91 116.32 2x58 h THR 454 Ca -0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.23 2x58 h THR 454 Cb 0.34 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.66 2x58 h THR 454 CO 0.05 0.00 -0.32 0.40 0.37 0.00 0.00 175.52 176.01 2x58 h ILE 455 N -0.24 0.23 -0.70 3.11 2.04 -1.23 0.33 117.51 121.06 2x58 h ILE 455 Ca 0.09 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 2x58 h ILE 455 Cb 0.47 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2x58 h ILE 455 CO -0.61 0.00 0.31 0.00 0.00 0.00 0.00 178.15 177.85 2x58 h ALA 456 N 0.76 0.90 -0.18 1.87 0.00 -0.49 -0.91 119.26 121.21 2x58 h ALA 456 Ca 0.17 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2x58 h ALA 456 Cb 0.54 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2x58 h ALA 456 CO -0.54 0.49 0.01 1.15 0.00 0.00 0.00 179.25 180.35 2x58 h THR 457 N 0.98 0.88 -0.53 0.00 2.02 0.12 0.23 112.91 116.62 2x58 h THR 457 Ca 0.24 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.41 2x58 h THR 457 Cb 0.16 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2x58 h THR 457 CO -0.03 0.01 0.33 0.58 0.37 0.00 0.00 175.52 176.79 2x58 h VAL 458 N 0.07 1.10 0.36 3.16 2.07 -0.67 -0.48 116.25 121.86 2x58 h VAL 458 Ca 0.08 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2x58 h VAL 458 Cb 0.10 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2x58 h VAL 458 CO -0.13 0.12 -0.20 0.24 0.02 0.00 0.00 177.57 177.62 2x58 h MET 459 N 0.67 -0.51 -0.77 1.57 2.86 -0.54 0.25 114.93 118.46 2x58 h MET 459 Ca 0.20 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.93 2x58 h MET 459 Cb -0.03 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.70 2x58 h MET 459 CO -0.07 -0.34 0.51 1.03 1.06 0.00 0.00 176.91 179.10 2x58 h SER 460 N -0.53 0.77 -0.40 1.22 0.87 -0.53 -1.88 113.55 113.08 2x58 h SER 460 Ca -0.04 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.43 2x58 h SER 460 Cb 0.42 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 2x58 h SER 460 CO 0.05 0.51 -0.06 0.25 -0.53 0.00 0.00 176.83 177.06 2x58 h LEU 461 N 0.88 0.81 -0.85 2.23 5.85 -0.43 -2.38 115.31 121.42 2x58 h LEU 461 Ca 0.32 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 2x58 h LEU 461 Cb 0.15 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2x58 h LEU 461 CO -0.10 0.91 -0.20 0.77 -0.34 0.00 0.00 178.44 179.49 2x58 h SER 462 N 0.76 0.63 -0.07 1.25 4.64 0.28 -2.38 113.55 118.66 2x58 h SER 462 Ca 0.14 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2x58 h SER 462 Cb 0.55 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2x58 h SER 462 CO 0.03 0.83 0.03 0.50 -0.87 0.00 0.00 176.83 177.36 2x58 h LYS 463 N 0.57 0.10 -0.84 4.77 3.64 -1.16 -1.32 116.57 122.33 2x58 h LYS 463 Ca 0.09 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.60 2x58 h LYS 463 Cb 0.65 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 2x58 h LYS 463 CO 0.05 0.19 0.55 -0.22 -2.27 0.00 0.00 179.45 177.74 2x58 h LYS 464 N -0.01 0.55 -0.43 1.90 3.64 -1.19 0.12 116.57 121.15 2x58 h LYS 464 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2x58 h LYS 464 Cb 0.12 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2x58 h LYS 464 CO -0.00 0.36 0.00 0.44 -2.27 0.00 0.00 179.45 177.98 2x58 n ILE 465 N -4.52 0.58 -0.93 2.00 -5.35 -0.92 -4.90 119.36 105.31 2x58 n ILE 465 Ca 0.16 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 2x58 n ILE 465 Cb 0.51 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 2x58 n ILE 465 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x58 n GLY 466 N 1.23 0.50 4.03 3.28 0.00 0.03 -4.91 105.19 109.34 2x58 n GLY 466 Ca 0.16 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 2x58 n GLY 466 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x58 s LYS 467 N -0.61 2.50 -0.32 1.61 1.02 -0.53 -4.91 119.74 118.50 2x58 s LYS 467 Ca 0.00 -1.49 0.01 0.00 0.02 0.00 0.00 55.97 54.51 2x58 s LYS 467 Cb 0.00 -2.69 0.08 0.00 -0.52 0.00 0.00 37.83 34.70 2x58 s LYS 467 CO 0.00 -0.64 0.02 0.42 -0.92 0.00 0.00 175.35 174.23 2x58 s ILE 468 N -2.55 2.57 0.34 2.17 1.01 0.19 -4.22 121.20 120.71 2x58 s ILE 468 Ca 0.59 -1.90 -0.26 0.00 0.00 0.00 0.00 60.65 59.08 2x58 s ILE 468 Cb -0.07 -2.68 -0.10 0.00 0.01 0.00 0.00 42.46 39.62 2x58 s ILE 468 CO 0.37 -0.36 0.98 -0.83 0.00 0.00 0.00 174.94 175.10 2x58 s GLY 469 N 1.19 2.81 -0.04 6.18 0.00 -1.26 -1.56 107.32 114.63 2x58 s GLY 469 Ca 0.02 0.59 0.01 0.00 0.00 0.00 0.00 44.72 45.33 2x58 s GLY 469 CO -0.05 1.04 -0.04 0.14 0.00 0.00 0.00 173.10 174.19 2x58 s VAL 470 N -1.59 0.46 -0.40 1.40 1.01 -0.56 -4.59 120.40 116.12 2x58 s VAL 470 Ca 0.51 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.20 2x58 s VAL 470 Cb -0.20 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.70 2x58 s VAL 470 CO 0.26 0.20 0.58 -0.69 0.00 0.00 0.00 175.10 175.44 2x58 s VAL 471 N 0.83 4.92 0.31 2.92 1.01 -1.26 -0.64 120.40 128.50 2x58 s VAL 471 Ca -0.11 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.12 2x58 s VAL 471 Cb -0.13 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 2x58 s VAL 471 CO -0.00 -0.44 -0.11 0.68 0.00 0.00 0.00 175.10 175.24 2x58 s VAL 472 N 2.59 2.10 1.18 2.92 -7.23 0.26 -4.53 120.40 117.68 2x58 s VAL 472 Ca 0.20 -2.22 -0.15 0.00 -1.81 0.00 0.00 61.98 58.00 2x58 s VAL 472 Cb -0.15 -2.51 0.25 0.00 0.56 0.00 0.00 36.38 34.53 2x58 s VAL 472 CO 0.16 -0.28 0.71 0.61 -0.31 0.00 0.00 175.10 175.99 2x58 n GLY 473 N -0.69 -2.25 1.89 2.32 0.00 0.23 -4.28 105.19 102.41 2x58 n GLY 473 Ca -0.05 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 2x58 n GLY 473 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2x58 n ASN 474 N -4.04 3.79 -4.77 1.61 5.15 -1.26 -4.79 115.26 110.95 2x58 n ASN 474 Ca 0.02 -3.52 -0.31 0.00 -0.60 0.00 0.00 54.58 50.18 2x58 n ASN 474 Cb 0.57 -0.76 0.10 0.00 -0.53 0.00 0.00 39.78 39.15 2x58 n ASN 474 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2x58 s TYR 476 N -2.94 3.24 0.00 0.00 5.04 -1.26 -1.43 117.35 119.99 2x58 s TYR 476 Ca 0.61 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.69 2x58 s TYR 476 Cb -0.17 -3.56 0.00 0.00 0.35 0.00 0.00 41.96 38.59 2x58 s TYR 476 CO 0.56 -1.51 0.00 0.41 -1.34 0.00 0.00 175.55 173.67 2x58 n GLY 477 N 1.24 0.34 7.00 8.97 0.00 -1.26 -4.68 105.19 116.80 2x58 n GLY 477 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2x58 n GLY 477 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2x58 n PHE 478 N -2.29 0.00 -0.09 1.61 3.72 -0.52 -1.51 117.46 118.39 2x58 n PHE 478 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 2x58 n PHE 478 Cb 0.16 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.58 2x58 n PHE 478 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2x58 n VAL 479 N 0.00 1.59 0.14 -4.37 0.31 -1.26 -4.40 118.33 110.34 2x58 n VAL 479 Ca 0.00 -0.34 -0.06 0.00 -0.01 0.00 0.00 64.34 63.92 2x58 n VAL 479 Cb 0.00 -1.84 -0.03 0.00 -0.91 0.00 0.00 33.84 31.06 2x58 n VAL 479 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2x58 h GLY 480 N -0.06 -0.44 1.53 2.92 0.00 -1.97 -2.08 103.07 102.97 2x58 h GLY 480 Ca -0.48 0.16 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 2x58 h GLY 480 CO -0.17 -0.16 -0.01 3.43 0.00 0.00 0.00 176.54 179.63 2x58 h ASN 481 N -0.87 0.55 -0.78 0.19 2.35 -1.83 -0.69 115.58 114.49 2x58 h ASN 481 Ca -0.04 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 2x58 h ASN 481 Cb 0.32 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 2x58 h ASN 481 CO 0.07 0.62 0.36 -0.09 -1.65 0.00 0.00 177.43 176.74 2x58 h ARG 482 N 0.55 1.14 -0.04 0.81 2.43 -1.38 -2.03 114.38 115.86 2x58 h ARG 482 Ca 0.12 -0.18 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 2x58 h ARG 482 Cb 0.36 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2x58 h ARG 482 CO 0.01 0.89 -0.60 0.52 -1.51 0.00 0.00 179.97 179.29 2x58 h MET 483 N 1.11 0.14 0.00 0.20 2.86 -0.60 -3.08 114.93 115.56 2x58 h MET 483 Ca 0.27 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.76 2x58 h MET 483 Cb 0.14 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2x58 h MET 483 CO -0.03 0.69 -0.25 1.25 1.06 0.00 0.00 176.91 179.63 2x58 h LEU 484 N 0.10 0.00 -0.07 1.22 5.85 -0.44 -3.33 115.31 118.65 2x58 h LEU 484 Ca -0.01 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2x58 h LEU 484 Cb 1.08 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2x58 h LEU 484 CO 0.09 0.25 -0.05 0.00 -0.34 0.00 0.00 178.44 178.39 2x58 h ALA 485 N 1.75 0.01 -0.58 1.25 0.00 -1.38 -1.56 119.26 118.76 2x58 h ALA 485 Ca -0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2x58 h ALA 485 Cb 0.49 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2x58 h ALA 485 CO 0.03 -0.52 0.19 -1.35 0.00 0.00 0.00 179.25 177.60 2x58 h PRO 486 N -0.05 0.86 0.07 0.00 0.11 -1.76 -0.87 132.00 130.34 2x58 h PRO 486 Ca 0.04 -0.15 0.02 0.00 0.11 0.00 0.00 66.00 66.03 2x58 h PRO 486 Cb 0.12 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.04 2x58 h PRO 486 CO -0.10 0.73 -0.40 -0.92 -0.21 0.00 0.00 178.00 177.10 2x58 h TYR 487 N 0.84 -1.12 -0.72 0.65 3.20 -1.64 0.53 116.97 118.71 2x58 h TYR 487 Ca 0.19 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 2x58 h TYR 487 Cb 0.23 0.48 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 2x58 h TYR 487 CO 0.01 -0.49 0.28 1.88 -1.64 0.00 0.00 178.16 178.20 2x58 h TYR 488 N -0.60 1.08 0.21 -3.82 0.05 -1.17 -2.59 116.97 110.13 2x58 h TYR 488 Ca 0.04 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2x58 h TYR 488 Cb 0.65 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 2x58 h TYR 488 CO -0.38 0.83 -0.22 -0.91 -1.05 0.00 0.00 178.16 176.44 2x58 h ASN 489 N 1.04 -0.58 -0.65 3.88 4.21 -0.93 -0.64 115.58 121.91 2x58 h ASN 489 Ca 0.24 0.05 0.12 0.00 1.21 0.00 0.00 56.30 57.92 2x58 h ASN 489 Cb 0.21 0.20 -0.08 0.00 -1.12 0.00 0.00 38.32 37.53 2x58 h ASN 489 CO -0.02 -0.32 0.20 1.56 -1.29 0.00 0.00 177.43 177.56 2x58 h GLN 490 N -0.46 0.34 -0.84 0.81 1.08 -0.81 0.18 115.11 115.41 2x58 h GLN 490 Ca -0.00 -0.02 0.14 0.00 -1.45 0.00 0.00 58.65 57.32 2x58 h GLN 490 Cb 0.43 -0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 27.70 2x58 h GLN 490 CO -0.05 0.22 0.44 0.78 -0.95 0.00 0.00 178.83 179.27 2x58 h GLY 491 N 0.35 1.35 0.63 3.46 0.00 -0.94 0.98 103.07 108.90 2x58 h GLY 491 Ca 0.34 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2x58 h GLY 491 CO -0.38 -0.01 -0.01 0.74 0.00 0.00 0.00 176.54 176.89 2x58 h PHE 492 N 0.65 -0.03 -0.64 5.60 0.04 0.73 -2.43 116.94 120.87 2x58 h PHE 492 Ca 0.45 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.32 2x58 h PHE 492 Cb 0.59 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.71 2x58 h PHE 492 CO -0.09 0.34 0.43 0.74 -0.60 0.00 0.00 178.31 179.13 2x58 h PHE 493 N -0.40 0.49 -0.20 -0.55 0.04 -0.01 -0.46 116.94 115.85 2x58 h PHE 493 Ca -0.00 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 2x58 h PHE 493 Cb 0.38 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 2x58 h PHE 493 CO 0.05 0.23 -0.05 -0.07 -0.60 0.00 0.00 178.31 177.87 2x58 h LEU 494 N 0.46 0.40 -0.40 1.54 3.38 -0.67 0.15 115.31 120.16 2x58 h LEU 494 Ca 0.30 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 57.95 2x58 h LEU 494 Cb 0.55 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2x58 h LEU 494 CO -0.09 0.68 0.10 -0.07 0.09 0.00 0.00 178.44 179.15 2x58 h LEU 495 N 0.12 0.06 -0.42 1.67 3.38 -0.77 -0.51 115.31 118.84 2x58 h LEU 495 Ca 0.05 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2x58 h LEU 495 Cb 0.50 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 2x58 h LEU 495 CO 0.02 0.07 0.07 -0.33 0.09 0.00 0.00 178.44 178.36 2x58 h GLU 496 N 0.24 0.18 0.00 1.13 5.08 -0.81 -1.22 114.58 119.19 2x58 h GLU 496 Ca 0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2x58 h GLU 496 Cb 0.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2x58 h GLU 496 CO -0.23 0.12 0.00 0.39 -1.00 0.00 0.00 179.01 178.29 2x58 n GLU 497 N -5.12 0.83 0.00 2.33 1.02 0.48 -4.83 120.64 115.35 2x58 n GLU 497 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2x58 n GLU 497 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2x58 n GLU 497 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x58 n GLY 498 N 0.95 0.53 2.29 0.62 0.00 -0.35 -2.57 105.19 106.66 2x58 n GLY 498 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 2x58 n GLY 498 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2x58 n SER 499 N 0.00 1.07 -4.21 1.61 2.88 -0.35 -4.79 113.62 109.83 2x58 n SER 499 Ca 0.00 -1.82 -0.17 0.00 -1.33 0.00 0.00 58.87 55.55 2x58 n SER 499 Cb 0.00 -0.30 -0.11 0.00 -0.75 0.00 0.00 64.21 63.05 2x58 n SER 499 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2x58 s LYS 500 N -3.70 0.94 0.41 -1.46 1.02 -1.26 -4.50 119.74 111.20 2x58 s LYS 500 Ca 0.37 -1.18 0.20 0.00 0.02 0.00 0.00 55.97 55.38 2x58 s LYS 500 Cb -0.03 -0.79 1.14 0.00 -0.52 0.00 0.00 37.83 37.64 2x58 s LYS 500 CO 0.24 0.15 1.79 -1.00 -0.92 0.00 0.00 175.35 175.60 2x58 h PRO 501 N 3.64 0.35 0.00 -1.68 0.13 -1.96 -0.07 132.00 132.40 2x58 h PRO 501 Ca -0.39 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.68 2x58 h PRO 501 Cb 1.19 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2x58 h PRO 501 CO 0.50 0.23 -0.19 1.05 -0.23 0.00 0.00 178.00 179.36 2x58 h GLU 502 N 0.36 0.00 0.18 0.86 9.09 -1.98 -1.67 114.58 121.42 2x58 h GLU 502 Ca 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.97 2x58 h GLU 502 Cb 1.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.63 2x58 h GLU 502 CO -0.25 0.19 -0.09 -0.44 0.05 0.00 0.00 179.01 178.47 2x58 h ASP 503 N 0.00 -0.20 -0.38 3.06 3.32 -1.44 -2.10 116.42 118.69 2x58 h ASP 503 Ca -0.00 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.13 2x58 h ASP 503 Cb 0.76 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 40.28 2x58 h ASP 503 CO 0.03 0.13 -0.14 0.58 -1.72 0.00 0.00 179.24 178.12 2x58 h VAL 504 N -0.80 0.54 -0.69 -1.35 2.07 -1.47 0.17 116.25 114.72 2x58 h VAL 504 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2x58 h VAL 504 Cb 0.18 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2x58 h VAL 504 CO 0.04 0.00 0.39 0.44 0.02 0.00 0.00 177.57 178.46 2x58 h ASP 505 N -0.06 0.84 -0.39 0.57 5.19 -1.46 -2.51 116.42 118.60 2x58 h ASP 505 Ca 0.19 -0.06 -0.12 0.00 -0.62 0.00 0.00 57.03 56.41 2x58 h ASP 505 Cb 0.34 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 2x58 h ASP 505 CO -0.42 0.67 -0.24 1.23 -3.12 0.00 0.00 179.24 177.36 2x58 h GLY 506 N 1.00 0.93 0.92 2.75 0.00 -0.04 -0.80 103.07 107.84 2x58 h GLY 506 Ca 0.25 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 2x58 h GLY 506 CO -0.04 0.79 -0.24 -2.08 0.00 0.00 0.00 176.54 174.97 2x58 h VAL 507 N 0.67 0.50 -0.05 4.60 2.07 -0.79 -0.55 116.25 122.71 2x58 h VAL 507 Ca 0.08 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 2x58 h VAL 507 Cb 0.81 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2x58 h VAL 507 CO 0.07 0.03 -0.20 -0.07 0.02 0.00 0.00 177.57 177.41 2x58 h LEU 508 N -0.75 0.07 -0.91 2.57 3.38 -1.48 -0.74 115.31 117.46 2x58 h LEU 508 Ca -0.07 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 2x58 h LEU 508 Cb 0.55 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2x58 h LEU 508 CO 0.11 0.28 -0.49 -0.33 0.09 0.00 0.00 178.44 178.10 2x58 h GLU 509 N 0.07 0.00 -0.09 1.13 5.08 -0.96 -2.58 114.58 117.24 2x58 h GLU 509 Ca 0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2x58 h GLU 509 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2x58 h GLU 509 CO 0.03 0.49 -0.27 1.49 -1.00 0.00 0.00 179.01 179.75 2x58 h GLU 510 N 0.00 0.34 -0.66 2.33 4.81 0.23 -2.97 114.58 118.67 2x58 h GLU 510 Ca -0.00 -0.25 0.19 0.00 -0.13 0.00 0.00 59.36 59.17 2x58 h GLU 510 Cb 0.95 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 2x58 h GLU 510 CO 0.06 0.87 0.74 0.35 -0.73 0.00 0.00 179.01 180.31 2x58 h PHE 511 N -0.12 0.00 0.00 0.92 3.57 -1.05 -3.45 116.94 116.81 2x58 h PHE 511 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2x58 h PHE 511 Cb 0.89 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.63 2x58 h PHE 511 CO 0.12 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.61 2x58 n GLY 512 N -1.58 1.06 3.71 2.40 0.00 -1.06 -4.89 105.19 104.84 2x58 n GLY 512 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2x58 n GLY 512 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x58 s PHE 513 N -0.49 2.86 0.30 1.61 0.08 -1.00 -4.30 117.98 117.04 2x58 s PHE 513 Ca 0.00 0.51 0.06 0.00 0.12 0.00 0.00 56.93 57.63 2x58 s PHE 513 Cb 0.00 -3.96 0.81 0.00 -0.57 0.00 0.00 43.02 39.31 2x58 s PHE 513 CO 0.00 -3.63 1.69 -0.22 -0.10 0.00 0.00 175.22 172.96 2x58 h LYS 514 N 7.24 0.39 -2.79 0.44 3.11 -1.88 -3.38 116.57 119.71 2x58 h LYS 514 Ca -0.43 -0.02 -0.16 0.00 -2.81 0.00 0.00 60.65 57.23 2x58 h LYS 514 Cb 1.20 -0.09 -0.29 0.00 -1.00 0.00 0.00 32.23 32.06 2x58 h LYS 514 CO 0.92 0.26 -0.42 1.41 -2.81 0.00 0.00 179.45 178.81 2x58 s MET 515 N -5.84 0.27 0.83 1.90 1.75 -1.26 -4.98 119.30 111.96 2x58 s MET 515 Ca -0.11 0.74 -0.12 0.00 -1.25 0.00 0.00 55.69 54.95 2x58 s MET 515 Cb 0.26 0.00 0.09 0.00 2.84 0.00 0.00 34.83 38.03 2x58 s MET 515 CO 0.78 -0.20 1.16 0.20 -0.65 0.00 0.00 175.02 176.31 2x58 s GLY 516 N 1.78 1.93 0.16 2.11 0.00 -1.26 -4.71 107.32 107.33 2x58 s GLY 516 Ca -0.06 0.65 -0.24 0.00 0.00 0.00 0.00 44.72 45.07 2x58 s GLY 516 CO -0.11 1.05 1.59 -2.55 0.00 0.00 0.00 173.10 173.09 2x58 h PRO 517 N -1.19 -0.26 -0.73 2.90 0.11 -1.89 -1.68 132.00 129.26 2x58 h PRO 517 Ca -0.45 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 2x58 h PRO 517 Cb 1.27 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 2x58 h PRO 517 CO 0.46 -0.17 0.40 0.74 -0.21 0.00 0.00 178.00 179.22 2x58 h PHE 518 N -0.27 1.00 -0.79 0.65 0.04 -1.91 -0.04 116.94 115.62 2x58 h PHE 518 Ca 0.17 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.92 2x58 h PHE 518 Cb 0.56 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 2x58 h PHE 518 CO -0.57 0.70 0.52 0.00 -0.60 0.00 0.00 178.31 178.37 2x58 h ARG 519 N 1.00 1.03 0.30 1.51 3.08 -1.73 -1.37 114.38 118.20 2x58 h ARG 519 Ca 0.26 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2x58 h ARG 519 Cb 0.03 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.85 2x58 h ARG 519 CO -0.04 0.68 -0.14 0.28 -1.07 0.00 0.00 179.97 179.68 2x58 h VAL 520 N 1.06 0.74 -0.71 2.04 2.07 -0.76 -1.93 116.25 118.75 2x58 h VAL 520 Ca 0.29 -0.30 0.16 0.00 0.82 0.00 0.00 66.70 67.67 2x58 h VAL 520 Cb -0.11 0.91 -0.12 0.00 -1.52 0.00 0.00 31.29 30.46 2x58 h VAL 520 CO -0.07 0.06 0.07 -1.28 0.02 0.00 0.00 177.57 176.37 2x58 h SER 521 N -0.56 -0.20 -0.77 0.57 0.87 -0.91 0.98 113.55 113.53 2x58 h SER 521 Ca -0.04 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2x58 h SER 521 Cb 0.41 0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.60 2x58 h SER 521 CO 0.07 -0.11 0.49 0.44 -0.53 0.00 0.00 176.83 177.19 2x58 h ASP 522 N 0.16 0.91 -0.11 6.23 5.19 -1.17 -2.50 116.42 125.13 2x58 h ASP 522 Ca 0.39 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.64 2x58 h ASP 522 Cb 0.67 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 2x58 h ASP 522 CO -0.57 0.68 -0.31 -0.07 -3.12 0.00 0.00 179.24 175.85 2x58 h LEU 523 N 1.06 0.62 -1.41 1.55 -0.00 -0.09 -1.17 115.31 115.87 2x58 h LEU 523 Ca 0.28 -0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 2x58 h LEU 523 Cb -0.08 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 40.40 2x58 h LEU 523 CO -0.06 0.89 -0.12 0.00 -0.00 0.00 0.00 178.44 179.16 2x58 h ALA 524 N 1.15 1.05 0.00 1.53 0.00 -0.64 -3.46 119.26 118.88 2x58 h ALA 524 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2x58 h ALA 524 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2x58 h ALA 524 CO 0.06 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2x58 n GLY 525 N -0.04 -2.39 0.16 0.00 0.00 -0.97 -4.71 105.19 97.24 2x58 n GLY 525 Ca -0.00 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 45.07 2x58 n GLY 525 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2x58 h LEU 526 N 0.00 0.00 -0.70 0.99 3.38 0.04 -3.20 115.31 115.82 2x58 h LEU 526 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2x58 h LEU 526 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2x58 h LEU 526 CO 0.00 0.00 -0.12 -2.24 0.09 0.00 0.00 178.44 176.17 2x58 h ASP 527 N 0.00 0.88 -0.38 -0.43 2.03 -1.90 -0.89 116.42 115.72 2x58 h ASP 527 Ca 0.00 -0.28 0.07 0.00 -0.73 0.00 0.00 57.03 56.09 2x58 h ASP 527 Cb 0.78 -0.24 -0.06 0.00 -0.83 0.00 0.00 39.33 38.98 2x58 h ASP 527 CO 0.00 1.01 0.01 1.62 -1.03 0.00 0.00 179.24 180.84 2x58 h VAL 528 N 0.79 0.72 -0.57 4.15 3.04 -1.83 0.64 116.25 123.19 2x58 h VAL 528 Ca 0.13 -0.04 -0.04 0.00 -1.01 0.00 0.00 66.70 65.74 2x58 h VAL 528 Cb 0.64 0.60 -0.02 0.00 -2.01 0.00 0.00 31.29 30.49 2x58 h VAL 528 CO 0.04 0.02 0.19 1.23 -1.01 0.00 0.00 177.57 178.05 2x58 h GLY 529 N 0.11 0.95 0.66 3.17 0.00 -1.70 -2.75 103.07 103.52 2x58 h GLY 529 Ca 0.19 -0.55 0.03 0.00 0.00 0.00 0.00 47.33 47.00 2x58 h GLY 529 CO -0.31 0.52 -0.09 -0.25 0.00 0.00 0.00 176.54 176.41 2x58 h TRP 530 N 0.80 -0.22 -0.33 5.60 7.01 0.05 -1.55 115.95 127.31 2x58 h TRP 530 Ca 0.19 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.25 2x58 h TRP 530 Cb 0.26 0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.38 2x58 h TRP 530 CO 0.02 -0.14 0.04 0.87 -2.79 0.00 0.00 178.44 176.44 2x58 h LYS 531 N -0.11 0.14 -0.31 2.65 1.57 0.25 -1.49 116.57 119.27 2x58 h LYS 531 Ca 0.06 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.91 2x58 h LYS 531 Cb 0.20 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.41 2x58 h LYS 531 CO -0.15 0.09 -0.21 0.82 -0.57 0.00 0.00 179.45 179.43 2x58 h ILE 532 N 0.15 0.42 -0.63 1.86 2.04 -1.15 -1.25 117.51 118.95 2x58 h ILE 532 Ca 0.16 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 2x58 h ILE 532 Cb 0.19 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 2x58 h ILE 532 CO -0.23 0.00 0.28 0.03 0.00 0.00 0.00 178.15 178.23 2x58 h ARG 533 N -0.18 0.90 -0.89 2.37 3.08 -0.96 -1.10 114.38 117.60 2x58 h ARG 533 Ca 0.16 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2x58 h ARG 533 Cb 0.43 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 2x58 h ARG 533 CO -0.42 0.72 0.57 0.87 -1.07 0.00 0.00 179.97 180.64 2x58 h LYS 534 N 0.90 1.17 0.14 0.04 1.57 -0.72 -1.09 116.57 118.58 2x58 h LYS 534 Ca 0.22 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2x58 h LYS 534 Cb 0.14 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2x58 h LYS 534 CO -0.02 0.79 -0.18 0.78 -0.57 0.00 0.00 179.45 180.24 2x58 h GLY 535 N 1.21 -0.36 0.01 3.86 0.00 -0.05 -2.60 103.07 105.16 2x58 h GLY 535 Ca 0.32 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2x58 h GLY 535 CO -0.07 -0.17 0.00 -1.06 0.00 0.00 0.00 176.54 175.24 2x58 n GLN 536 N -5.31 0.52 -1.91 4.80 6.02 -0.81 -4.82 117.38 115.88 2x58 n GLN 536 Ca -0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.80 2x58 n GLN 536 Cb 0.22 -1.01 -0.02 0.00 1.02 0.00 0.00 30.24 30.45 2x58 n GLN 536 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2x58 n GLY 537 N 0.02 0.40 0.07 1.08 0.00 -0.98 -4.93 105.19 100.85 2x58 n GLY 537 Ca 0.00 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.66 2x58 n GLY 537 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x58 n LEU 538 N -1.60 0.42 0.00 0.99 4.77 -0.43 -4.58 117.00 116.57 2x58 n LEU 538 Ca -0.13 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2x58 n LEU 538 Cb 0.53 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2x58 n LEU 538 CO 0.17 0.07 0.00 1.07 -1.33 0.00 0.00 177.39 177.37 2x58 n THR 539 N -2.59 0.00 -0.06 -5.08 5.66 -1.24 -4.98 114.28 105.99 2x58 n THR 539 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2x58 n THR 539 Cb 0.73 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.51 2x58 n THR 539 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2x58 n GLY 540 N 0.24 -3.23 0.00 1.09 0.00 -1.26 -4.73 105.19 97.29 2x58 n GLY 540 Ca 0.00 -1.26 0.10 0.00 0.00 0.00 0.00 46.02 44.86 2x58 n GLY 540 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2x58 n PRO 541 N -0.83 0.72 -0.81 1.61 -0.02 -1.26 -2.78 135.00 131.62 2x58 n PRO 541 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 2x58 n PRO 541 Cb 0.00 -1.44 0.22 0.00 -0.02 0.00 0.00 33.50 32.26 2x58 n PRO 541 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2x58 n SER 542 N -0.94 4.09 -4.52 2.55 3.41 -1.26 -4.91 113.62 112.04 2x58 n SER 542 Ca 0.15 -2.97 -0.43 0.00 -0.26 0.00 0.00 58.87 55.36 2x58 n SER 542 Cb 0.07 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.26 2x58 n SER 542 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2x58 s LEU 543 N -2.31 4.43 0.05 1.04 0.20 -1.12 -4.78 118.68 116.20 2x58 s LEU 543 Ca 0.42 -0.34 -0.18 0.00 0.69 0.00 0.00 54.13 54.73 2x58 s LEU 543 Cb 0.34 -2.79 -0.10 0.00 -0.43 0.00 0.00 46.19 43.22 2x58 s LEU 543 CO 0.10 -0.89 0.43 -2.65 -0.29 0.00 0.00 176.35 173.05 2x58 n PRO 544 N 6.55 0.00 -1.58 0.98 -0.02 -1.26 -4.56 135.00 135.11 2x58 n PRO 544 Ca -0.00 0.00 -0.56 0.00 -2.02 0.00 0.00 63.50 60.92 2x58 n PRO 544 Cb 0.48 -0.67 -0.08 0.00 -0.02 0.00 0.00 33.50 33.21 2x58 n PRO 544 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2x58 n PRO 545 N 0.67 0.98 -3.52 0.52 -0.04 -1.26 -2.62 135.00 129.73 2x58 n PRO 545 Ca 0.10 0.33 -0.19 0.00 -0.04 0.00 0.00 63.50 63.70 2x58 n PRO 545 Cb 0.09 -2.13 0.08 0.00 -0.04 0.00 0.00 33.50 31.49 2x58 n PRO 545 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x58 n GLY 546 N 5.29 -0.38 3.75 0.55 0.00 -1.26 -5.00 105.19 108.14 2x58 n GLY 546 Ca 0.34 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 2x58 n GLY 546 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x58 s THR 547 N -3.41 3.55 0.59 2.61 2.01 -1.08 -4.99 115.64 114.92 2x58 s THR 547 Ca 0.11 1.46 -0.19 0.00 0.31 0.00 0.00 61.69 63.37 2x58 s THR 547 Cb -0.05 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 2x58 s THR 547 CO 0.75 0.31 1.24 -2.84 -0.69 0.00 0.00 174.62 173.38 2x58 s PRO 548 N -1.01 2.97 0.53 4.92 0.02 -1.26 -4.88 135.00 136.29 2x58 s PRO 548 Ca 0.47 1.91 0.26 0.00 0.02 0.00 0.00 61.00 63.67 2x58 s PRO 548 Cb -0.32 -1.98 1.46 0.00 0.02 0.00 0.00 34.50 33.68 2x58 s PRO 548 CO 0.39 -1.23 2.10 -0.39 -0.33 0.00 0.00 177.00 177.54 2x58 h VAL 549 N 0.96 0.63 -0.18 3.83 -1.51 -1.99 -3.21 116.25 114.79 2x58 h VAL 549 Ca -0.51 -0.45 -0.14 0.00 -1.23 0.00 0.00 66.70 64.38 2x58 h VAL 549 Cb 1.30 1.28 -0.12 0.00 -2.13 0.00 0.00 31.29 31.62 2x58 h VAL 549 CO 0.55 0.10 -0.61 0.54 -1.23 0.00 0.00 177.57 176.93 2x58 n ARG 550 N -3.77 1.98 -3.67 5.19 1.74 -1.26 -4.61 116.66 112.25 2x58 n ARG 550 Ca -0.02 -3.45 -0.15 0.00 -0.77 0.00 0.00 57.85 53.47 2x58 n ARG 550 Cb 0.21 -1.69 -0.08 0.00 -1.02 0.00 0.00 32.46 29.88 2x58 n ARG 550 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2x58 s LYS 551 N -3.17 0.74 -0.26 5.56 2.20 -1.21 -2.23 119.74 121.36 2x58 s LYS 551 Ca 0.41 0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 56.25 2x58 s LYS 551 Cb 0.38 0.35 0.09 0.00 -1.51 0.00 0.00 37.83 37.14 2x58 s LYS 551 CO -0.05 -0.18 0.12 1.03 -0.36 0.00 0.00 175.35 175.91 2x58 s ARG 552 N -0.68 0.21 7.27 4.03 1.81 0.32 -4.49 118.95 127.42 2x58 s ARG 552 Ca -0.08 -0.46 0.00 0.00 -1.72 0.00 0.00 55.73 53.47 2x58 s ARG 552 Cb -0.03 -1.38 0.00 0.00 -0.45 0.00 0.00 34.95 33.09 2x58 s ARG 552 CO 0.04 -0.93 0.00 0.41 -0.68 0.00 0.00 175.30 174.14 2x58 n GLY 553 N 5.23 4.00 0.01 -3.53 0.00 -1.26 -2.53 105.19 107.10 2x58 n GLY 553 Ca -0.06 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2x58 n GLY 553 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x58 n ASN 554 N 8.76 0.34 -4.41 1.61 4.13 -1.26 -4.88 115.26 119.54 2x58 n ASN 554 Ca 0.00 0.13 -0.33 0.00 1.68 0.00 0.00 54.58 56.06 2x58 n ASN 554 Cb 0.00 -0.11 -0.14 0.00 -1.54 0.00 0.00 39.78 37.99 2x58 n ASN 554 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2x58 s SER 555 N -3.19 4.01 0.45 6.41 0.15 -1.05 -4.73 113.70 115.74 2x58 s SER 555 Ca 0.12 -0.27 -0.23 0.00 0.70 0.00 0.00 55.95 56.27 2x58 s SER 555 Cb 0.17 -1.27 -0.10 0.00 -1.71 0.00 0.00 66.02 63.11 2x58 s SER 555 CO 0.63 0.24 0.87 -1.14 1.20 0.00 0.00 173.24 175.04 2x58 n ARG 556 N 2.99 1.06 -4.09 5.44 0.63 0.08 -0.53 116.66 122.25 2x58 n ARG 556 Ca -0.18 0.39 -0.14 0.00 -0.92 0.00 0.00 57.85 57.00 2x58 n ARG 556 Cb 0.52 -1.91 -0.12 0.00 0.45 0.00 0.00 32.46 31.40 2x58 n ARG 556 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 2x58 s TYR 557 N -1.37 0.71 -0.26 -0.14 5.04 -0.95 -4.73 117.35 115.65 2x58 s TYR 557 Ca 0.65 -0.44 0.03 0.00 -2.44 0.00 0.00 57.07 54.86 2x58 s TYR 557 Cb -0.55 -0.43 0.06 0.00 0.35 0.00 0.00 41.96 41.40 2x58 s TYR 557 CO 0.56 -0.06 -0.09 0.45 -1.34 0.00 0.00 175.55 175.07 2x58 s SER 558 N -1.41 4.36 -0.04 4.32 0.15 -1.26 -4.35 113.70 115.46 2x58 s SER 558 Ca -0.08 -1.40 0.04 0.00 0.70 0.00 0.00 55.95 55.21 2x58 s SER 558 Cb -0.09 -1.49 0.18 0.00 -1.71 0.00 0.00 66.02 62.92 2x58 s SER 558 CO 0.01 -0.21 0.87 -0.81 1.20 0.00 0.00 173.24 174.30 2x58 n PRO 559 N 4.47 1.80 -0.01 5.44 -0.05 -1.26 -4.31 135.00 141.07 2x58 n PRO 559 Ca -0.13 -0.71 -0.10 0.00 -0.05 0.00 0.00 63.50 62.51 2x58 n PRO 559 Cb 0.42 -1.56 -0.04 0.00 -0.05 0.00 0.00 33.50 32.27 2x58 n PRO 559 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 175.50 175.38 2x58 h LEU 560 N 0.95 -0.03 -0.59 1.53 3.38 -1.98 0.46 115.31 119.03 2x58 h LEU 560 Ca 0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2x58 h LEU 560 Cb 0.71 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2x58 h LEU 560 CO 0.09 0.00 0.36 1.23 0.09 0.00 0.00 178.44 180.22 2x58 h GLY 561 N 0.05 0.84 0.21 0.83 0.00 -2.00 0.13 103.07 103.13 2x58 h GLY 561 Ca 0.06 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.09 2x58 h GLY 561 CO -0.09 0.33 -0.31 -0.55 0.00 0.00 0.00 176.54 175.91 2x58 h ASP 562 N 0.79 -0.96 -0.08 0.19 3.32 -1.70 -1.57 116.42 116.41 2x58 h ASP 562 Ca 0.21 0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.41 2x58 h ASP 562 Cb -0.04 0.40 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2x58 h ASP 562 CO -0.04 -0.36 0.01 0.24 -1.72 0.00 0.00 179.24 177.37 2x58 h MET 563 N -0.41 0.05 -0.89 3.56 2.86 0.38 0.35 114.93 120.82 2x58 h MET 563 Ca 0.09 -0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.88 2x58 h MET 563 Cb 0.54 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.09 2x58 h MET 563 CO -0.32 0.03 0.48 -0.07 1.06 0.00 0.00 176.91 178.09 2x58 h LEU 564 N 0.05 0.60 0.03 1.22 3.38 -0.67 -1.03 115.31 118.88 2x58 h LEU 564 Ca 0.03 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2x58 h LEU 564 Cb 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2x58 h LEU 564 CO -0.05 0.24 -0.01 0.00 0.09 0.00 0.00 178.44 178.71 2x58 n GLU 566 N -4.93 0.00 -0.21 0.00 1.02 0.11 0.01 120.64 116.65 2x58 n GLU 566 Ca -0.08 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.07 2x58 n GLU 566 Cb 0.20 -1.13 0.02 0.00 -0.02 0.00 0.00 31.44 30.51 2x58 n GLU 566 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2x58 n ALA 567 N -0.54 1.66 -1.14 0.62 0.00 -0.87 -5.01 120.51 115.23 2x58 n ALA 567 Ca 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 53.44 52.38 2x58 n ALA 567 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 2x58 n ALA 567 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x58 n GLY 568 N -0.23 0.72 3.42 0.00 0.00 0.10 -4.96 105.19 104.24 2x58 n GLY 568 Ca 0.02 -0.43 -0.44 0.00 0.00 0.00 0.00 46.02 45.17 2x58 n GLY 568 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x58 s ARG 569 N -1.90 3.10 0.00 1.61 0.52 -0.80 -4.87 118.95 116.61 2x58 s ARG 569 Ca 0.00 -1.02 0.09 0.00 -0.52 0.00 0.00 55.73 54.28 2x58 s ARG 569 Cb 0.00 -4.17 -0.03 0.00 0.52 0.00 0.00 34.95 31.27 2x58 s ARG 569 CO 0.00 -1.39 0.52 1.19 0.02 0.00 0.00 175.30 175.64 2x58 n PHE 570 N 6.39 0.00 0.00 -0.53 3.72 -0.47 -3.74 117.46 122.82 2x58 n PHE 570 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2x58 n PHE 570 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 2x58 n PHE 570 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x58 n GLY 571 N 0.95 0.17 0.26 1.37 0.00 0.51 0.60 105.19 109.06 2x58 n GLY 571 Ca 0.03 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.29 2x58 n GLY 571 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2x58 h GLN 572 N 0.00 0.00 0.00 1.61 4.15 -1.48 -1.06 115.11 118.33 2x58 h GLN 572 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 2x58 h GLN 572 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 2x58 h GLN 572 CO 0.00 0.09 -0.73 1.57 -1.93 0.00 0.00 178.83 177.83 2x58 h LYS 573 N 0.00 0.00 -0.02 1.69 2.10 -1.83 0.55 116.57 119.05 2x58 h LYS 573 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2x58 h LYS 573 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2x58 h LYS 573 CO 0.01 0.73 -0.24 0.25 -2.00 0.00 0.00 179.45 178.20 2x58 n THR 574 N -3.35 0.00 -0.58 0.07 -2.24 -1.12 -4.30 114.28 102.76 2x58 n THR 574 Ca 0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2x58 n THR 574 Cb 0.80 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 70.41 2x58 n THR 574 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x58 n GLY 575 N 1.39 1.05 3.42 3.38 0.00 -0.94 -4.53 105.19 108.95 2x58 n GLY 575 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 2x58 n GLY 575 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x58 s LYS 576 N -0.31 0.58 0.00 1.61 1.02 -0.44 -1.77 119.74 120.42 2x58 s LYS 576 Ca 0.00 0.79 0.00 0.00 0.02 0.00 0.00 55.97 56.78 2x58 s LYS 576 Cb 0.00 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.53 2x58 s LYS 576 CO 0.00 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 2x58 n GLY 577 N 3.24 1.16 0.11 -3.33 0.00 -1.26 -0.36 105.19 104.75 2x58 n GLY 577 Ca -0.16 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 2x58 n GLY 577 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2x58 h TRP 578 N 0.00 0.21 -5.25 1.61 4.06 -1.92 -3.47 115.95 111.19 2x58 h TRP 578 Ca 0.00 -0.15 -0.31 0.00 2.06 0.00 0.00 58.89 60.49 2x58 h TRP 578 Cb 0.00 -0.01 0.04 0.00 -1.00 0.00 0.00 29.16 28.19 2x58 h TRP 578 CO 0.00 1.45 0.01 0.66 -3.56 0.00 0.00 178.44 177.00 2x58 n TYR 579 N -4.21 -2.80 -4.31 0.49 4.01 -1.26 -4.49 117.16 104.58 2x58 n TYR 579 Ca -0.25 -1.29 -0.20 0.00 -0.16 0.00 0.00 57.90 56.00 2x58 n TYR 579 Cb 0.75 -0.42 -0.11 0.00 -0.31 0.00 0.00 39.34 39.25 2x58 n TYR 579 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 2x58 s GLN 580 N -3.95 1.23 0.17 -0.72 -2.07 -0.53 -4.59 119.66 109.19 2x58 s GLN 580 Ca 0.42 -1.40 0.06 0.00 -1.82 0.00 0.00 55.36 52.62 2x58 s GLN 580 Cb -0.03 -1.21 -0.05 0.00 -1.09 0.00 0.00 33.01 30.64 2x58 s GLN 580 CO 0.27 0.24 -0.11 0.71 -1.32 0.00 0.00 175.29 175.08 2x58 s TYR 581 N -2.20 1.42 0.45 9.60 1.51 -0.73 -0.89 117.35 126.50 2x58 s TYR 581 Ca 0.15 -0.70 0.16 0.00 -1.01 0.00 0.00 57.07 55.67 2x58 s TYR 581 Cb -0.05 -0.70 1.09 0.00 -0.11 0.00 0.00 41.96 42.19 2x58 s TYR 581 CO 0.06 0.17 1.97 0.38 -1.11 0.00 0.00 175.55 177.02 2x58 h ASP 582 N 2.70 0.32 -5.16 2.29 2.03 -1.82 -3.45 116.42 113.32 2x58 h ASP 582 Ca -0.37 0.01 0.08 0.00 -0.73 0.00 0.00 57.03 56.02 2x58 h ASP 582 Cb 1.20 -0.05 -0.03 0.00 -0.83 0.00 0.00 39.33 39.61 2x58 h ASP 582 CO 0.63 0.18 0.37 -1.59 -1.03 0.00 0.00 179.24 177.81 2x58 s LYS 583 N -5.34 1.72 0.25 4.15 -2.85 -1.26 -5.05 119.74 111.37 2x58 s LYS 583 Ca -0.07 -1.05 -0.30 0.00 -1.00 0.00 0.00 55.97 53.55 2x58 s LYS 583 Cb 0.20 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 36.40 2x58 s LYS 583 CO 0.75 -0.80 1.16 -2.14 0.10 0.00 0.00 175.35 174.42 2x58 s PRO 584 N -2.85 4.55 -1.04 1.78 0.02 -1.26 -2.76 135.00 133.44 2x58 s PRO 584 Ca 0.15 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.04 2x58 s PRO 584 Cb -0.04 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2x58 s PRO 584 CO 0.07 0.06 0.00 1.28 -0.33 0.00 0.00 177.00 178.08 2x58 n LEU 585 N 1.64 -0.72 -4.91 -5.54 4.32 0.19 -4.88 117.00 107.10 2x58 n LEU 585 Ca 0.01 0.24 -0.27 0.00 -0.02 0.00 0.00 56.01 55.97 2x58 n LEU 585 Cb 0.44 -1.62 0.07 0.00 -1.62 0.00 0.00 43.42 40.70 2x58 n LEU 585 CO 0.55 -0.52 0.68 -0.83 -1.22 0.00 0.00 177.39 176.06 2x58 s GLY 586 N -2.89 1.64 -0.21 -0.72 0.00 -1.11 -5.04 107.32 98.98 2x58 s GLY 586 Ca 0.00 -0.75 0.11 0.00 0.00 0.00 0.00 44.72 44.07 2x58 s GLY 586 CO 0.00 -0.33 -0.05 0.54 0.00 0.00 0.00 173.10 173.25 2x58 n ARG 587 N -3.03 0.77 -2.89 2.90 1.74 -1.26 -4.90 116.66 109.99 2x58 n ARG 587 Ca 0.08 0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.78 2x58 n ARG 587 Cb 0.60 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.51 2x58 n ARG 587 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2x58 s ILE 588 N -2.47 4.52 -0.03 0.55 1.01 -1.26 -5.02 121.20 118.50 2x58 s ILE 588 Ca -0.19 0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.88 2x58 s ILE 588 Cb 0.07 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2x58 s ILE 588 CO 0.69 -0.87 0.20 -1.38 0.00 0.00 0.00 174.94 173.58 2x58 s HIS 589 N 3.61 3.57 0.04 3.97 -3.43 -1.26 -2.71 115.29 119.07 2x58 s HIS 589 Ca 0.32 0.46 0.00 0.00 -0.80 0.00 0.00 55.06 55.04 2x58 s HIS 589 Cb -0.12 -1.90 -0.03 0.00 -1.43 0.00 0.00 32.58 29.10 2x58 s HIS 589 CO 0.23 0.66 -0.04 0.15 -2.00 0.00 0.00 174.74 173.74 2x58 s LYS 590 N -1.66 0.46 0.59 -0.38 -0.14 -0.07 -4.96 119.74 113.58 2x58 s LYS 590 Ca 0.24 -0.84 -0.20 0.00 -1.36 0.00 0.00 55.97 53.81 2x58 s LYS 590 Cb -0.13 0.04 -0.03 0.00 -1.68 0.00 0.00 37.83 36.03 2x58 s LYS 590 CO 0.14 -0.05 1.28 -2.14 -0.76 0.00 0.00 175.35 173.82 2x58 s PRO 591 N -2.28 2.95 -0.15 -1.68 0.02 -1.26 -1.45 135.00 131.15 2x58 s PRO 591 Ca -0.07 2.02 -0.02 0.00 0.02 0.00 0.00 61.00 62.95 2x58 s PRO 591 Cb -0.04 -2.04 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 2x58 s PRO 591 CO -0.03 -1.27 -0.08 0.34 -0.33 0.00 0.00 177.00 175.62 2x58 s ASP 592 N -1.32 4.35 0.30 2.53 -1.08 -1.26 -4.70 116.67 115.49 2x58 s ASP 592 Ca 0.76 -0.27 -0.01 0.00 -0.52 0.00 0.00 52.55 52.51 2x58 s ASP 592 Cb -0.35 -1.70 0.46 0.00 -1.46 0.00 0.00 42.92 39.87 2x58 s ASP 592 CO 0.40 0.13 1.95 -0.65 0.52 0.00 0.00 175.17 177.52 2x58 h PRO 593 N 6.95 1.07 -1.03 4.34 0.11 -1.96 -2.43 132.00 139.04 2x58 h PRO 593 Ca -0.30 -0.06 0.26 0.00 0.11 0.00 0.00 66.00 66.01 2x58 h PRO 593 Cb 1.20 -0.24 -0.12 0.00 0.11 0.00 0.00 31.00 31.95 2x58 h PRO 593 CO 0.59 0.71 0.63 2.35 -0.21 0.00 0.00 178.00 182.07 2x58 h TRP 594 N 1.10 0.87 -0.16 0.65 7.01 -1.99 -2.11 115.95 121.32 2x58 h TRP 594 Ca 0.33 0.03 -0.20 0.00 2.11 0.00 0.00 58.89 61.17 2x58 h TRP 594 Cb -0.02 -0.25 0.01 0.00 -2.10 0.00 0.00 29.16 26.80 2x58 h TRP 594 CO -0.00 0.04 -0.68 1.25 -2.79 0.00 0.00 178.44 176.26 2x58 h LEU 595 N 0.48 0.87 -0.26 0.65 5.85 -1.79 0.17 115.31 121.29 2x58 h LEU 595 Ca 0.64 -0.62 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2x58 h LEU 595 Cb 1.40 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 2x58 h LEU 595 CO -0.42 1.35 -0.09 0.28 -0.34 0.00 0.00 178.44 179.21 2x58 h SER 596 N 0.45 -0.32 -0.88 1.25 0.02 -1.42 0.61 113.55 113.27 2x58 h SER 596 Ca -0.04 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2x58 h SER 596 Cb 1.31 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 64.00 2x58 h SER 596 CO 0.14 -0.12 0.49 0.74 -1.14 0.00 0.00 176.83 176.94 2x58 h THR 597 N -0.04 1.25 0.02 -2.27 2.02 -1.36 -0.45 112.91 112.07 2x58 h THR 597 Ca 0.13 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 2x58 h THR 597 Cb 0.24 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2x58 h THR 597 CO -0.29 0.28 -0.01 0.15 0.37 0.00 0.00 175.52 176.02 2x58 h PHE 598 N 1.23 -0.02 0.08 3.16 3.57 0.16 -2.96 116.94 122.17 2x58 h PHE 598 Ca 0.31 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.81 2x58 h PHE 598 Cb 0.02 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2x58 h PHE 598 CO 0.01 0.15 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.09 2x58 h LEU 599 N -0.19 -0.19 -0.17 0.59 -0.00 0.38 -2.81 115.31 112.92 2x58 h LEU 599 Ca -0.00 0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.91 2x58 h LEU 599 Cb 0.18 0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 2x58 h LEU 599 CO 0.00 -0.12 -0.10 -1.20 -0.00 0.00 0.00 178.44 177.02 2x58 n SER 600 N -5.19 -0.18 0.06 -0.43 7.64 -0.19 -1.19 113.62 114.14 2x58 n SER 600 Ca -0.07 1.11 -0.00 0.00 1.01 0.00 0.00 58.87 60.91 2x58 n SER 600 Cb 0.11 -0.44 0.29 0.00 -1.01 0.00 0.00 64.21 63.16 2x58 n SER 600 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2x58 h GLN 601 N 0.00 0.36 -1.00 1.43 3.07 -1.57 -0.54 115.11 116.86 2x58 h GLN 601 Ca 0.03 -0.11 0.08 0.00 0.09 0.00 0.00 58.65 58.73 2x58 h GLN 601 Cb 0.07 -0.04 -0.07 0.00 0.08 0.00 0.00 27.48 27.52 2x58 h GLN 601 CO -0.16 0.54 0.65 -0.92 0.09 0.00 0.00 178.83 179.02 2x58 h TYR 602 N 0.33 1.19 -0.09 0.06 3.20 -1.14 -0.85 116.97 119.67 2x58 h TYR 602 Ca 0.06 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 2x58 h TYR 602 Cb 0.52 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 2x58 h TYR 602 CO 0.01 0.59 -0.14 0.00 -1.64 0.00 0.00 178.16 176.99 2x58 h ARG 603 N 1.14 0.25 -0.51 1.82 3.08 0.35 -2.80 114.38 117.71 2x58 h ARG 603 Ca 0.45 -0.15 0.10 0.00 0.07 0.00 0.00 59.98 60.44 2x58 h ARG 603 Cb 0.23 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.21 2x58 h ARG 603 CO -0.19 0.72 0.04 0.93 -1.07 0.00 0.00 179.97 180.40 2x58 h GLU 604 N -0.19 0.16 0.00 0.04 5.08 -0.93 0.61 114.58 119.36 2x58 h GLU 604 Ca 0.01 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2x58 h GLU 604 Cb 0.69 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2x58 h GLU 604 CO 0.03 0.11 -0.27 0.28 -1.00 0.00 0.00 179.01 178.16 2x58 h VAL 605 N 0.16 1.11 -0.36 3.13 2.07 -1.19 -2.96 116.25 118.20 2x58 h VAL 605 Ca 0.26 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2x58 h VAL 605 Cb 0.39 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2x58 h VAL 605 CO -0.39 0.27 0.00 1.41 0.02 0.00 0.00 177.57 178.87 2x58 n HIS 606 N -4.09 0.47 -3.60 1.57 8.25 -0.90 -4.99 115.22 111.93 2x58 n HIS 606 Ca -0.02 -0.33 -0.20 0.00 -0.26 0.00 0.00 57.72 56.91 2x58 n HIS 606 Cb 0.33 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.49 2x58 n HIS 606 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2x58 n HIS 607 N 1.04 -2.14 -3.66 4.41 -0.00 0.10 -4.96 115.22 110.00 2x58 n HIS 607 Ca 0.15 0.90 -0.37 0.00 -0.00 0.00 0.00 57.72 58.40 2x58 n HIS 607 Cb 0.49 -4.71 -0.11 0.00 -0.00 0.00 0.00 29.99 25.66 2x58 n HIS 607 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2x58 s ILE 608 N -3.48 4.98 -0.15 1.59 1.01 -0.58 -5.05 121.20 119.51 2x58 s ILE 608 Ca 0.11 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.52 2x58 s ILE 608 Cb -0.05 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 2x58 s ILE 608 CO 0.77 0.29 1.16 -0.70 0.00 0.00 0.00 174.94 176.46 2x58 s GLU 609 N 1.64 4.29 -1.17 2.79 2.12 -1.26 -4.68 118.70 122.43 2x58 s GLU 609 Ca 0.07 1.55 -0.22 0.00 0.36 0.00 0.00 54.97 56.73 2x58 s GLU 609 Cb -0.15 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.55 2x58 s GLU 609 CO 0.08 -0.58 1.85 -1.14 -0.54 0.00 0.00 175.26 174.93 2x58 s GLN 610 N 2.94 2.98 0.59 4.30 -0.44 -1.26 -4.75 119.66 124.02 2x58 s GLN 610 Ca 0.51 -1.28 -0.18 0.00 -2.50 0.00 0.00 55.36 51.91 2x58 s GLN 610 Cb -0.20 -5.31 -0.03 0.00 -1.64 0.00 0.00 33.01 25.82 2x58 s GLN 610 CO 0.14 -3.33 1.14 1.03 0.50 0.00 0.00 175.29 174.77 2x58 s ARG 611 N 5.83 3.10 -0.18 1.67 0.52 -1.06 -4.98 118.95 123.84 2x58 s ARG 611 Ca 0.63 1.58 -0.22 0.00 -0.52 0.00 0.00 55.73 57.20 2x58 s ARG 611 Cb -0.00 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.47 2x58 s ARG 611 CO 0.09 -1.05 0.68 0.99 0.02 0.00 0.00 175.30 176.02 2x58 s THR 612 N -1.92 4.99 -0.19 0.02 2.01 -1.26 -4.55 115.64 114.74 2x58 s THR 612 Ca 0.72 1.30 -0.04 0.00 0.31 0.00 0.00 61.69 63.98 2x58 s THR 612 Cb -0.24 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 2x58 s THR 612 CO 0.33 0.11 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.70 2x58 s ILE 613 N 1.86 3.64 0.37 1.82 1.01 -1.26 -5.09 121.20 123.55 2x58 s ILE 613 Ca 0.31 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 2x58 s ILE 613 Cb -0.16 -2.63 -0.10 0.00 0.01 0.00 0.00 42.46 39.58 2x58 s ILE 613 CO 0.11 0.44 0.85 -0.94 0.00 0.00 0.00 174.94 175.41 2x58 s SER 614 N 1.02 6.89 0.19 3.58 1.04 -1.26 -4.92 113.70 120.24 2x58 s SER 614 Ca 0.01 1.51 -0.07 0.00 0.48 0.00 0.00 55.95 57.88 2x58 s SER 614 Cb -0.15 -2.47 0.29 0.00 0.10 0.00 0.00 66.02 63.80 2x58 s SER 614 CO 0.01 -0.27 1.08 1.17 0.98 0.00 0.00 173.24 176.21 2x58 n LYS 615 N -0.44 -0.08 0.03 4.02 0.00 -1.26 -0.81 118.16 119.62 2x58 n LYS 615 Ca 0.05 1.08 -0.12 0.00 0.00 0.00 0.00 58.31 59.32 2x58 n LYS 615 Cb 0.53 -1.61 -0.07 0.00 0.00 0.00 0.00 35.03 33.88 2x58 n LYS 615 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2x58 h GLU 616 N 0.00 0.01 -0.34 1.64 3.07 -1.99 -1.75 114.58 115.22 2x58 h GLU 616 Ca 0.32 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.18 2x58 h GLU 616 Cb 0.49 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 2x58 h GLU 616 CO -0.71 0.03 0.23 1.49 -1.40 0.00 0.00 179.01 178.65 2x58 h GLU 617 N -0.01 0.43 0.00 2.33 4.81 -1.35 0.25 114.58 121.04 2x58 h GLU 617 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2x58 h GLU 617 Cb 0.02 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2x58 h GLU 617 CO -0.00 0.29 0.00 -0.89 -0.73 0.00 0.00 179.01 177.68 2x58 n ILE 618 N -4.49 0.00 -0.33 2.32 5.41 -0.57 -2.08 119.36 119.62 2x58 n ILE 618 Ca 0.02 1.10 0.17 0.00 1.00 0.00 0.00 62.75 65.04 2x58 n ILE 618 Cb 0.08 -2.07 0.33 0.00 -0.71 0.00 0.00 39.64 37.27 2x58 n ILE 618 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2x58 h LEU 619 N 0.00 -0.27 -0.33 1.39 5.85 -1.27 0.18 115.31 120.86 2x58 h LEU 619 Ca 0.00 0.26 -0.19 0.00 0.84 0.00 0.00 57.88 58.79 2x58 h LEU 619 Cb 0.00 0.41 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2x58 h LEU 619 CO 0.00 -0.33 -0.70 -0.33 -0.34 0.00 0.00 178.44 176.74 2x58 h GLU 620 N 0.04 0.61 0.09 1.25 5.08 -0.51 -0.44 114.58 120.72 2x58 h GLU 620 Ca 0.63 -0.47 -0.28 0.00 -1.00 0.00 0.00 59.36 58.24 2x58 h GLU 620 Cb 1.36 0.09 0.03 0.00 0.50 0.00 0.00 28.75 30.72 2x58 h GLU 620 CO -0.85 1.09 -1.13 0.00 -1.00 0.00 0.00 179.01 177.12 2x58 h ARG 621 N 0.44 0.61 -0.10 2.33 3.08 -0.75 0.40 114.38 120.39 2x58 h ARG 621 Ca -0.03 -0.77 -0.01 0.00 0.07 0.00 0.00 59.98 59.24 2x58 h ARG 621 Cb 1.29 0.25 -0.00 0.00 0.08 0.00 0.00 29.97 31.58 2x58 h ARG 621 CO 0.13 1.34 0.01 0.00 -1.07 0.00 0.00 179.97 180.39 2x58 h LEU 623 N -0.07 0.87 -0.29 0.00 3.38 -1.14 -3.27 115.31 114.79 2x58 h LEU 623 Ca 0.03 -0.74 -0.13 0.00 0.09 0.00 0.00 57.88 57.13 2x58 h LEU 623 Cb 0.29 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2x58 h LEU 623 CO 0.00 1.50 -0.61 1.88 0.09 0.00 0.00 178.44 181.30 2x58 h TYR 624 N 0.34 0.00 -0.39 1.13 0.05 -1.02 -1.60 116.97 115.49 2x58 h TYR 624 Ca -0.13 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 2x58 h TYR 624 Cb 1.66 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.38 2x58 h TYR 624 CO 0.11 0.61 0.17 0.66 -1.05 0.00 0.00 178.16 178.66 2x58 h SER 625 N 0.00 0.52 -0.13 3.88 4.64 -1.62 0.20 113.55 121.04 2x58 h SER 625 Ca -0.01 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2x58 h SER 625 Cb 1.35 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2x58 h SER 625 CO 0.08 0.53 0.07 0.25 -0.87 0.00 0.00 176.83 176.89 2x58 h LEU 626 N 0.48 0.16 -1.00 5.97 6.46 -1.58 -0.67 115.31 125.13 2x58 h LEU 626 Ca 0.13 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 2x58 h LEU 626 Cb 0.16 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 2x58 h LEU 626 CO -0.01 0.19 0.43 0.40 -0.62 0.00 0.00 178.44 178.83 2x58 h ILE 627 N 0.12 1.24 -0.71 4.05 2.04 -1.06 0.18 117.51 123.37 2x58 h ILE 627 Ca 0.05 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.30 2x58 h ILE 627 Cb 0.07 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 2x58 h ILE 627 CO -0.01 0.27 0.47 -1.13 0.00 0.00 0.00 178.15 177.75 2x58 h ASN 628 N 1.14 0.80 -0.24 1.72 -1.24 0.14 -0.31 115.58 117.58 2x58 h ASN 628 Ca 0.29 -0.02 -0.09 0.00 0.71 0.00 0.00 56.30 57.19 2x58 h ASN 628 Cb 0.04 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 2x58 h ASN 628 CO -0.04 0.58 -0.15 -0.08 -1.29 0.00 0.00 177.43 176.44 2x58 h GLU 629 N 0.94 0.67 -0.31 6.67 4.57 -0.46 -1.26 114.58 125.41 2x58 h GLU 629 Ca 0.26 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2x58 h GLU 629 Cb -0.09 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2x58 h GLU 629 CO -0.06 0.79 0.10 0.00 -1.18 0.00 0.00 179.01 178.66 2x58 h ALA 630 N 1.23 1.59 -0.30 2.92 0.00 -0.23 -0.66 119.26 123.81 2x58 h ALA 630 Ca 0.10 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2x58 h ALA 630 Cb 0.60 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2x58 h ALA 630 CO 0.04 0.31 -0.27 0.74 0.00 0.00 0.00 179.25 180.08 2x58 h PHE 631 N 0.44 0.85 -0.15 0.00 0.04 0.05 -2.69 116.94 115.47 2x58 h PHE 631 Ca 0.11 -0.25 0.05 0.00 2.80 0.00 0.00 57.97 60.68 2x58 h PHE 631 Cb 0.13 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.05 2x58 h PHE 631 CO 0.00 0.99 -0.18 0.00 -0.60 0.00 0.00 178.31 178.53 2x58 h ARG 632 N 0.46 -0.20 -0.95 1.51 3.08 -0.99 0.71 114.38 117.99 2x58 h ARG 632 Ca 0.05 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.36 2x58 h ARG 632 Cb 0.84 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 30.80 2x58 h ARG 632 CO 0.07 -0.14 0.49 0.82 -1.07 0.00 0.00 179.97 180.14 2x58 h ILE 633 N -0.21 0.47 -0.11 2.04 2.04 -0.94 0.21 117.51 121.01 2x58 h ILE 633 Ca 0.10 -0.16 -0.21 0.00 1.00 0.00 0.00 64.86 65.60 2x58 h ILE 633 Cb 0.37 -0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2x58 h ILE 633 CO -0.28 0.08 -0.75 -0.07 0.00 0.00 0.00 178.15 177.14 2x58 h LEU 634 N 0.45 0.85 -0.84 1.44 3.38 -0.97 -0.57 115.31 119.05 2x58 h LEU 634 Ca 0.61 -0.66 0.13 0.00 0.09 0.00 0.00 57.88 58.06 2x58 h LEU 634 Cb 1.20 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.61 2x58 h LEU 634 CO -0.52 1.37 0.45 -0.08 0.09 0.00 0.00 178.44 179.75 2x58 h GLU 635 N 0.39 0.66 -0.14 1.13 4.57 0.16 -0.54 114.58 120.80 2x58 h GLU 635 Ca -0.06 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2x58 h GLU 635 Cb 1.39 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2x58 h GLU 635 CO 0.15 0.43 0.00 0.39 -1.18 0.00 0.00 179.01 178.81 2x58 n GLU 636 N -4.83 1.70 -0.84 1.92 1.02 0.30 -4.62 120.64 115.28 2x58 n GLU 636 Ca 0.16 -1.04 0.00 0.00 -0.02 0.00 0.00 57.16 56.26 2x58 n GLU 636 Cb 0.39 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 2x58 n GLU 636 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x58 n GLY 637 N 1.12 0.43 0.10 0.62 0.00 -0.21 -4.84 105.19 102.42 2x58 n GLY 637 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 2x58 n GLY 637 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2x58 n MET 638 N -1.69 0.08 -4.08 1.61 2.81 -0.28 -4.54 117.12 111.03 2x58 n MET 638 Ca 0.00 0.58 -0.11 0.00 -1.81 0.00 0.00 57.70 56.36 2x58 n MET 638 Cb 0.08 -1.77 -0.11 0.00 -0.71 0.00 0.00 33.22 30.71 2x58 n MET 638 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2x58 s ALA 639 N -3.31 0.58 0.09 3.04 0.00 -1.21 0.75 121.76 121.69 2x58 s ALA 639 Ca -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 2x58 s ALA 639 Cb 0.04 0.11 -0.23 0.00 0.00 0.00 0.00 23.12 23.03 2x58 s ALA 639 CO 0.11 -0.13 1.18 0.00 0.00 0.00 0.00 175.76 176.92 2x58 h ALA 640 N 4.03 0.15 -2.92 0.00 0.00 -1.80 -3.44 119.26 115.29 2x58 h ALA 640 Ca -0.35 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 53.73 2x58 h ALA 640 Cb 1.19 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 2x58 h ALA 640 CO 0.49 0.90 0.24 -0.98 0.00 0.00 0.00 179.25 179.90 2x58 s ARG 641 N -2.83 1.26 0.58 0.00 1.70 -1.26 -5.01 118.95 113.39 2x58 s ARG 641 Ca -0.05 -0.48 0.36 0.00 -0.47 0.00 0.00 55.73 55.09 2x58 s ARG 641 Cb 0.07 0.57 1.72 0.00 -0.57 0.00 0.00 34.95 36.74 2x58 s ARG 641 CO 0.89 -0.55 2.12 -1.00 -1.08 0.00 0.00 175.30 175.67 2x58 h PRO 642 N 2.00 0.00 -0.80 3.89 0.13 -1.92 -1.91 132.00 133.38 2x58 h PRO 642 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2x58 h PRO 642 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2x58 h PRO 642 CO 0.36 0.02 0.50 0.93 -0.23 0.00 0.00 178.00 179.59 2x58 h GLU 643 N 0.00 1.08 -0.29 0.86 3.07 -1.96 -1.16 114.58 116.18 2x58 h GLU 643 Ca -0.00 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 58.73 2x58 h GLU 643 Cb 0.33 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 2x58 h GLU 643 CO 0.00 0.74 0.00 0.45 -1.40 0.00 0.00 179.01 178.81 2x58 h HIS 644 N 1.10 0.45 -0.32 4.33 3.86 -1.64 0.26 115.15 123.19 2x58 h HIS 644 Ca 0.29 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.43 2x58 h HIS 644 Cb -0.07 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 2x58 h HIS 644 CO -0.01 0.45 0.05 0.82 0.86 0.00 0.00 177.93 180.11 2x58 h ILE 645 N 0.43 1.23 -0.51 2.45 2.04 -1.21 -2.08 117.51 119.86 2x58 h ILE 645 Ca 0.09 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 2x58 h ILE 645 Cb 0.28 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2x58 h ILE 645 CO 0.01 0.27 0.06 0.44 0.00 0.00 0.00 178.15 178.93 2x58 h ASP 646 N 0.35 0.78 -0.79 1.72 3.32 -0.17 -0.01 116.42 121.62 2x58 h ASP 646 Ca 0.10 -0.16 0.05 0.00 0.02 0.00 0.00 57.03 57.03 2x58 h ASP 646 Cb 0.34 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 2x58 h ASP 646 CO 0.01 0.80 0.49 0.58 -1.72 0.00 0.00 179.24 179.40 2x58 h VAL 647 N 0.78 1.07 -0.15 -1.35 2.07 -0.35 0.35 116.25 118.66 2x58 h VAL 647 Ca 0.16 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2x58 h VAL 647 Cb 0.38 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2x58 h VAL 647 CO 0.01 0.17 0.03 0.40 0.02 0.00 0.00 177.57 178.20 2x58 h ILE 648 N 0.93 1.22 -0.21 4.57 2.04 -0.66 -2.30 117.51 123.10 2x58 h ILE 648 Ca 0.33 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 2x58 h ILE 648 Cb 0.09 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2x58 h ILE 648 CO -0.14 0.21 -0.08 1.88 0.00 0.00 0.00 178.15 180.01 2x58 h TYR 649 N 0.04 0.34 -0.31 1.37 -1.99 -0.54 0.32 116.97 116.19 2x58 h TYR 649 Ca 0.05 -0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.66 2x58 h TYR 649 Cb 0.29 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 2x58 h TYR 649 CO 0.02 0.41 -0.14 -0.07 -0.00 0.00 0.00 178.16 178.38 2x58 h LEU 650 N 0.31 0.66 0.00 3.88 3.38 -0.25 -2.44 115.31 120.84 2x58 h LEU 650 Ca 0.07 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2x58 h LEU 650 Cb 0.35 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2x58 h LEU 650 CO 0.02 0.92 -1.37 1.41 0.09 0.00 0.00 178.44 179.50 2x58 n HIS 651 N -4.39 0.13 -0.01 1.13 8.25 -0.87 -3.93 115.22 115.52 2x58 n HIS 651 Ca -0.03 0.04 0.07 0.00 -0.26 0.00 0.00 57.72 57.54 2x58 n HIS 651 Cb 0.37 -0.36 -0.11 0.00 1.12 0.00 0.00 29.99 31.01 2x58 n HIS 651 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2x58 n GLY 652 N 1.36 -0.67 0.57 -1.41 0.00 0.09 -4.49 105.19 100.64 2x58 n GLY 652 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2x58 n GLY 652 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2x58 n TYR 653 N -2.01 0.00 -2.95 1.61 4.02 -1.17 -5.02 117.16 111.64 2x58 n TYR 653 Ca -0.03 -0.04 -0.20 0.00 -0.01 0.00 0.00 57.90 57.63 2x58 n TYR 653 Cb 0.39 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 2x58 n TYR 653 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x58 n GLY 654 N 0.03 -0.50 3.68 2.72 0.00 -1.23 -4.92 105.19 104.97 2x58 n GLY 654 Ca 0.00 0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 2x58 n GLY 654 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2x58 n TRP 655 N -3.92 2.23 -1.67 1.61 -0.00 -0.93 -4.22 117.44 110.55 2x58 n TRP 655 Ca -0.09 0.40 -0.42 0.00 -0.00 0.00 0.00 57.50 57.39 2x58 n TRP 655 Cb 0.59 -2.48 -0.03 0.00 -0.00 0.00 0.00 31.31 29.39 2x58 n TRP 655 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2x58 s PRO 656 N -0.28 3.86 0.37 5.87 0.04 -1.26 -4.73 135.00 138.87 2x58 s PRO 656 Ca 0.69 2.42 0.11 0.00 0.04 0.00 0.00 61.00 64.27 2x58 s PRO 656 Cb -0.64 -4.21 0.90 0.00 0.04 0.00 0.00 34.50 30.59 2x58 s PRO 656 CO 0.48 -1.28 1.86 -0.09 0.04 0.00 0.00 177.00 178.02 2x58 h ARG 657 N 11.80 0.58 0.00 4.56 2.43 -1.91 -0.27 114.38 131.58 2x58 h ARG 657 Ca -0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2x58 h ARG 657 Cb 1.23 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2x58 h ARG 657 CO 0.95 0.39 0.00 -2.39 -1.51 0.00 0.00 179.97 177.40 2x58 n HIS 658 N -4.56 0.00 -0.74 2.20 1.44 -1.26 -1.40 115.22 110.91 2x58 n HIS 658 Ca 0.18 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.95 2x58 n HIS 658 Cb 0.54 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.74 2x58 n HIS 658 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2x58 n LYS 659 N -0.78 1.80 0.00 -1.40 5.02 -0.11 -4.52 118.16 118.17 2x58 n LYS 659 Ca 0.10 -2.20 0.00 0.00 -2.02 0.00 0.00 58.31 54.19 2x58 n LYS 659 Cb 0.04 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2x58 n LYS 659 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x58 n GLY 660 N -1.11 1.10 0.00 0.72 0.00 -0.49 -4.04 105.19 101.37 2x58 n GLY 660 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2x58 n GLY 660 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x58 n GLY 661 N 0.00 3.58 0.31 -0.02 0.00 -1.26 -4.65 105.19 103.14 2x58 n GLY 661 Ca 0.00 -1.62 0.04 0.00 0.00 0.00 0.00 46.02 44.43 2x58 n GLY 661 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x58 h PRO 662 N 0.00 0.52 0.03 1.61 0.13 -1.89 0.60 132.00 133.01 2x58 h PRO 662 Ca 0.00 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2x58 h PRO 662 Cb 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.01 2x58 h PRO 662 CO 0.00 0.35 -0.02 0.52 -0.23 0.00 0.00 178.00 178.63 2x58 h MET 663 N 0.54 -0.04 -0.79 0.86 2.86 -1.92 -0.80 114.93 115.63 2x58 h MET 663 Ca 0.14 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.95 2x58 h MET 663 Cb -0.05 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.52 2x58 h MET 663 CO -0.03 0.45 0.32 0.35 1.06 0.00 0.00 176.91 179.06 2x58 h PHE 664 N -0.56 0.55 -0.42 -0.22 3.04 -1.83 -1.88 116.94 115.62 2x58 h PHE 664 Ca -0.00 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2x58 h PHE 664 Cb 0.51 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 2x58 h PHE 664 CO 0.10 0.04 0.23 -0.92 -2.02 0.00 0.00 178.31 175.74 2x58 h TYR 665 N 0.44 0.58 -0.73 0.41 3.20 -0.73 -1.84 116.97 118.30 2x58 h TYR 665 Ca 0.45 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.31 2x58 h TYR 665 Cb 0.72 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 2x58 h TYR 665 CO -0.16 0.45 0.47 0.00 -1.64 0.00 0.00 178.16 177.28 2x58 h ALA 666 N 1.08 0.93 -0.43 1.82 0.00 -0.36 -1.12 119.26 121.18 2x58 h ALA 666 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2x58 h ALA 666 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2x58 h ALA 666 CO -0.02 0.36 0.21 0.00 0.00 0.00 0.00 179.25 179.80 2x58 h ALA 667 N 1.26 0.56 -0.70 0.00 0.00 -1.19 0.18 119.26 119.36 2x58 h ALA 667 Ca 0.27 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2x58 h ALA 667 Cb -0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2x58 h ALA 667 CO -0.06 0.12 0.46 0.66 0.00 0.00 0.00 179.25 180.43 2x58 h SER 668 N 0.56 0.81 0.49 0.00 4.64 -0.89 -0.31 113.55 118.84 2x58 h SER 668 Ca 0.15 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.32 2x58 h SER 668 Cb 0.11 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 2x58 h SER 668 CO -0.02 0.59 -0.55 0.58 -0.87 0.00 0.00 176.83 176.56 2x58 h VAL 669 N 0.96 1.39 0.00 0.95 2.07 -0.88 -3.49 116.25 117.24 2x58 h VAL 669 Ca 0.26 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.89 2x58 h VAL 669 Cb -0.11 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2x58 h VAL 669 CO -0.06 0.54 0.00 0.61 0.02 0.00 0.00 177.57 178.69 2x58 n GLY 670 N 0.08 1.47 0.33 2.17 0.00 0.02 -4.70 105.19 104.57 2x58 n GLY 670 Ca -0.02 -1.24 0.07 0.00 0.00 0.00 0.00 46.02 44.84 2x58 n GLY 670 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2x58 h LEU 671 N 0.00 0.72 -1.06 0.99 3.38 -1.77 -1.47 115.31 116.11 2x58 h LEU 671 Ca 0.00 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2x58 h LEU 671 Cb 0.00 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 2x58 h LEU 671 CO 0.00 0.34 0.63 -0.65 0.09 0.00 0.00 178.44 178.86 2x58 h PRO 672 N 0.79 1.18 0.01 1.13 0.11 -1.94 0.13 132.00 133.41 2x58 h PRO 672 Ca 0.48 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.52 2x58 h PRO 672 Cb 0.60 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2x58 h PRO 672 CO -0.32 0.78 -0.00 1.15 -0.21 0.00 0.00 178.00 179.40 2x58 h THR 673 N 1.21 1.12 -0.87 -1.15 2.02 -1.67 -1.54 112.91 112.04 2x58 h THR 673 Ca 0.39 -0.38 0.14 0.00 0.77 0.00 0.00 66.41 67.32 2x58 h THR 673 Cb 0.02 1.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.72 2x58 h THR 673 CO -0.12 0.10 0.47 0.58 0.37 0.00 0.00 175.52 176.92 2x58 h VAL 674 N -0.18 0.77 0.62 3.16 2.07 -0.56 -0.62 116.25 121.51 2x58 h VAL 674 Ca -0.00 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2x58 h VAL 674 Cb 0.17 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2x58 h VAL 674 CO 0.00 0.13 -0.30 0.25 0.02 0.00 0.00 177.57 177.67 2x58 h LEU 675 N 0.69 -0.70 -0.99 2.57 5.85 -0.63 -1.83 115.31 120.27 2x58 h LEU 675 Ca 0.46 -0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.33 2x58 h LEU 675 Cb 0.61 0.18 -0.17 0.00 0.37 0.00 0.00 40.66 41.65 2x58 h LEU 675 CO -0.34 -0.40 -0.35 -0.33 -0.34 0.00 0.00 178.44 176.68 2x58 h GLU 676 N -1.00 -0.00 -0.28 1.25 4.39 -0.89 -1.47 114.58 116.57 2x58 h GLU 676 Ca -0.09 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.44 2x58 h GLU 676 Cb 0.68 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2x58 h GLU 676 CO 0.14 -0.00 -0.50 0.87 -1.16 0.00 0.00 179.01 178.35 2x58 h LYS 677 N -0.00 0.79 -0.21 2.33 1.79 -0.96 -0.67 116.57 119.64 2x58 h LYS 677 Ca 0.38 -0.47 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 2x58 h LYS 677 Cb 0.63 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 2x58 h LYS 677 CO -0.99 1.10 0.08 -0.07 -1.08 0.00 0.00 179.45 178.49 2x58 h LEU 678 N 0.62 0.30 -0.63 2.94 3.38 -1.00 -1.36 115.31 119.56 2x58 h LEU 678 Ca 0.02 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 57.94 2x58 h LEU 678 Cb 1.09 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.64 2x58 h LEU 678 CO 0.11 0.40 -0.14 1.56 0.09 0.00 0.00 178.44 180.46 2x58 h GLN 679 N 0.18 0.01 0.46 1.13 4.20 -1.10 0.11 115.11 120.10 2x58 h GLN 679 Ca 0.07 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2x58 h GLN 679 Cb 0.20 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 2x58 h GLN 679 CO -0.00 0.01 -0.29 -0.22 -0.67 0.00 0.00 178.83 177.66 2x58 h LYS 680 N 0.01 -0.67 -0.97 1.46 3.64 -0.82 -1.10 116.57 118.11 2x58 h LYS 680 Ca 0.30 0.05 0.21 0.00 -1.27 0.00 0.00 60.65 59.94 2x58 h LYS 680 Cb 0.47 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 32.33 2x58 h LYS 680 CO -0.64 -0.45 0.55 1.88 -2.27 0.00 0.00 179.45 178.53 2x58 h TYR 681 N -0.70 0.95 0.00 1.91 0.05 -0.82 0.20 116.97 118.56 2x58 h TYR 681 Ca -0.06 0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.65 2x58 h TYR 681 Cb 0.56 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 2x58 h TYR 681 CO -0.02 0.11 -0.48 -0.92 -1.05 0.00 0.00 178.16 175.81 2x58 h TYR 682 N 0.62 0.00 -0.25 4.88 3.20 -0.70 0.13 116.97 124.84 2x58 h TYR 682 Ca 0.59 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.35 2x58 h TYR 682 Cb 1.04 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.31 2x58 h TYR 682 CO -0.03 0.48 -0.29 -0.09 -1.64 0.00 0.00 178.16 176.58 2x58 h ARG 683 N 0.00 0.63 0.00 1.82 2.43 0.64 -2.65 114.38 117.25 2x58 h ARG 683 Ca -0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2x58 h ARG 683 Cb 0.96 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2x58 h ARG 683 CO 0.06 0.96 0.00 1.04 -1.51 0.00 0.00 179.97 180.52 2x58 n GLN 684 N -4.30 0.24 -3.27 0.20 6.02 -0.10 -4.04 117.38 112.13 2x58 n GLN 684 Ca -0.05 0.32 -0.25 0.00 -0.01 0.00 0.00 57.00 57.01 2x58 n GLN 684 Cb 0.47 -1.86 -0.08 0.00 1.02 0.00 0.00 30.24 29.79 2x58 n GLN 684 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2x58 n ASN 685 N -2.30 -0.11 0.11 1.08 3.02 0.01 -4.97 115.26 112.10 2x58 n ASN 685 Ca 0.04 -2.56 0.11 0.00 -0.03 0.00 0.00 54.58 52.13 2x58 n ASN 685 Cb 0.34 -0.59 0.46 0.00 -0.61 0.00 0.00 39.78 39.38 2x58 n ASN 685 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2x58 n PRO 686 N 1.98 0.16 -0.05 3.52 -0.04 -1.01 -2.35 135.00 137.23 2x58 n PRO 686 Ca 0.25 0.40 0.08 0.00 -0.04 0.00 0.00 63.50 64.18 2x58 n PRO 686 Cb 0.51 -1.82 0.36 0.00 -0.04 0.00 0.00 33.50 32.52 2x58 n PRO 686 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2x58 n ASP 687 N -2.12 0.74 -3.83 3.54 5.75 -1.26 -4.43 116.55 114.95 2x58 n ASP 687 Ca 0.02 -1.67 -0.30 0.00 -0.01 0.00 0.00 54.79 52.83 2x58 n ASP 687 Cb 0.21 -0.06 -0.09 0.00 -1.03 0.00 0.00 41.12 40.15 2x58 n ASP 687 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2x58 n ILE 688 N -0.24 2.30 0.16 2.12 5.41 -0.99 -0.74 119.36 127.39 2x58 n ILE 688 Ca 0.12 -5.07 0.11 0.00 1.00 0.00 0.00 62.75 58.91 2x58 n ILE 688 Cb 0.16 -2.20 0.57 0.00 -0.71 0.00 0.00 39.64 37.46 2x58 n ILE 688 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2x58 n PRO 689 N 1.70 0.13 -0.01 0.38 -0.04 -1.26 -0.98 135.00 134.92 2x58 n PRO 689 Ca 0.23 0.63 -0.03 0.00 -0.04 0.00 0.00 63.50 64.29 2x58 n PRO 689 Cb 0.37 -1.98 0.20 0.00 -0.04 0.00 0.00 33.50 32.05 2x58 n PRO 689 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2x58 h GLN 690 N 0.00 0.56 0.00 0.54 -0.00 -1.96 -2.53 115.11 111.72 2x58 h GLN 690 Ca 0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 58.65 58.44 2x58 h GLN 690 Cb 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.50 2x58 h GLN 690 CO 0.00 0.71 -0.12 -0.07 0.00 0.00 0.00 178.83 179.35 2x58 h LEU 691 N 0.50 0.00 -9.38 -2.39 3.38 -1.44 -3.45 115.31 102.54 2x58 h LEU 691 Ca 0.08 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.44 2x58 h LEU 691 Cb 0.58 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.38 2x58 h LEU 691 CO 0.04 0.12 0.83 1.21 0.09 0.00 0.00 178.44 180.73 2x58 n GLU 692 N -3.44 1.94 -1.67 1.13 2.13 -0.96 -4.69 120.64 115.08 2x58 n GLU 692 Ca -0.01 0.70 -0.47 0.00 0.66 0.00 0.00 57.16 58.04 2x58 n GLU 692 Cb 0.28 -2.47 -0.04 0.00 0.27 0.00 0.00 31.44 29.48 2x58 n GLU 692 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2x58 n PRO 693 N 4.28 2.08 -1.70 5.31 -0.02 -1.26 -4.90 135.00 138.79 2x58 n PRO 693 Ca 0.19 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 62.00 2x58 n PRO 693 Cb 0.26 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.20 2x58 n PRO 693 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2x58 n SER 694 N 4.27 2.85 -0.24 2.55 2.88 -1.26 -4.83 113.62 119.84 2x58 n SER 694 Ca 0.19 1.20 0.05 0.00 -1.33 0.00 0.00 58.87 58.98 2x58 n SER 694 Cb 0.28 -1.49 0.17 0.00 -0.75 0.00 0.00 64.21 62.42 2x58 n SER 694 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2x58 h ASP 695 N 2.84 0.03 -0.91 -3.46 3.32 -1.95 -1.18 116.42 115.10 2x58 h ASP 695 Ca -0.46 0.14 0.22 0.00 0.02 0.00 0.00 57.03 56.94 2x58 h ASP 695 Cb 1.28 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.95 2x58 h ASP 695 CO 0.65 -0.02 0.61 0.22 -1.72 0.00 0.00 179.24 178.97 2x58 h TYR 696 N 0.28 0.48 0.01 4.55 3.20 -1.90 0.13 116.97 123.71 2x58 h TYR 696 Ca 0.40 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.26 2x58 h TYR 696 Cb 0.67 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2x58 h TYR 696 CO -0.26 0.12 -0.11 1.25 -1.64 0.00 0.00 178.16 177.52 2x58 h LEU 697 N 0.35 0.09 -1.02 2.82 5.85 -1.60 -2.75 115.31 119.04 2x58 h LEU 697 Ca 0.47 -0.85 0.29 0.00 0.84 0.00 0.00 57.88 58.64 2x58 h LEU 697 Cb 1.27 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 42.13 2x58 h LEU 697 CO -0.16 0.92 0.59 0.03 -0.34 0.00 0.00 178.44 179.48 2x58 h ARG 698 N -0.74 0.42 0.07 1.25 3.08 -0.36 -1.28 114.38 116.83 2x58 h ARG 698 Ca -0.02 -0.03 -0.25 0.00 0.07 0.00 0.00 59.98 59.76 2x58 h ARG 698 Cb 0.95 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 2x58 h ARG 698 CO 0.02 0.28 -1.11 0.00 -1.07 0.00 0.00 179.97 178.09 2x58 h ARG 699 N 0.43 0.25 0.25 0.04 3.08 -1.17 -1.19 114.38 116.07 2x58 h ARG 699 Ca 0.69 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 2x58 h ARG 699 Cb 1.50 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.68 2x58 h ARG 699 CO -0.54 1.14 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.31 2x58 h LEU 700 N 0.09 -0.28 -1.16 3.04 3.38 -0.96 0.16 115.31 119.58 2x58 h LEU 700 Ca -0.10 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2x58 h LEU 700 Cb 1.81 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.58 2x58 h LEU 700 CO 0.18 -0.06 0.58 0.58 0.09 0.00 0.00 178.44 179.81 2x58 h VAL 701 N -0.50 1.10 -0.73 1.22 2.07 -1.29 0.32 116.25 118.43 2x58 h VAL 701 Ca -0.03 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 2x58 h VAL 701 Cb 0.38 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2x58 h VAL 701 CO 0.06 0.19 0.22 0.00 0.02 0.00 0.00 177.57 178.05 2x58 h ALA 702 N 1.51 1.01 -0.44 1.67 0.00 -0.90 -0.78 119.26 121.32 2x58 h ALA 702 Ca 0.37 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 2x58 h ALA 702 Cb 0.13 -0.28 -0.14 0.00 0.00 0.00 0.00 17.79 17.50 2x58 h ALA 702 CO -0.13 0.66 0.32 1.04 0.00 0.00 0.00 179.25 181.14 2x58 n GLN 703 N -4.25 1.60 -2.19 0.00 6.02 0.53 -4.86 117.38 114.24 2x58 n GLN 703 Ca 0.06 -1.37 -0.15 0.00 -0.01 0.00 0.00 57.00 55.53 2x58 n GLN 703 Cb 0.23 -1.54 -0.01 0.00 1.02 0.00 0.00 30.24 29.95 2x58 n GLN 703 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2x58 n GLY 704 N -0.08 -0.06 3.34 1.08 0.00 -0.30 -4.27 105.19 104.90 2x58 n GLY 704 Ca 0.27 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2x58 n GLY 704 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x58 n SER 705 N -0.76 -6.40 -4.72 1.61 7.64 -0.00 -4.95 113.62 106.04 2x58 n SER 705 Ca -0.17 -0.77 -0.30 0.00 1.01 0.00 0.00 58.87 58.65 2x58 n SER 705 Cb 0.62 -4.83 0.14 0.00 -1.01 0.00 0.00 64.21 59.13 2x58 n SER 705 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2x58 s PRO 706 N -4.70 1.17 0.67 1.43 0.04 -1.26 -4.97 135.00 127.37 2x58 s PRO 706 Ca 0.46 0.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.07 2x58 s PRO 706 Cb -0.08 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2x58 s PRO 706 CO 0.77 -2.28 1.19 -1.25 0.04 0.00 0.00 177.00 175.47 2x58 s PRO 707 N -4.97 2.57 0.24 0.56 0.04 -1.26 -4.82 135.00 127.36 2x58 s PRO 707 Ca 0.64 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 63.31 2x58 s PRO 707 Cb -0.18 -1.89 0.35 0.00 0.04 0.00 0.00 34.50 32.83 2x58 s PRO 707 CO 0.57 -1.50 1.39 -0.11 0.04 0.00 0.00 177.00 177.39 2x58 n LEU 708 N -2.23 -0.40 0.00 -3.56 0.00 -1.26 -0.71 117.00 108.84 2x58 n LEU 708 Ca 0.13 1.54 0.06 0.00 0.00 0.00 0.00 56.01 57.74 2x58 n LEU 708 Cb 0.50 -0.43 0.30 0.00 0.00 0.00 0.00 43.42 43.79 2x58 n LEU 708 CO 0.46 -1.45 0.61 2.29 0.00 0.00 0.00 177.39 179.30 2x58 n LYS 709 N -5.41 0.21 0.00 1.96 2.85 -1.26 -0.88 118.16 115.62 2x58 n LYS 709 Ca 0.13 0.14 0.06 0.00 -1.05 0.00 0.00 58.31 57.58 2x58 n LYS 709 Cb 0.42 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.34 2x58 n LYS 709 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2x58 n GLU 710 N -1.21 0.71 -0.07 -1.58 1.02 0.12 -4.74 120.64 114.89 2x58 n GLU 710 Ca 0.06 -1.10 -0.08 0.00 -0.02 0.00 0.00 57.16 56.03 2x58 n GLU 710 Cb 0.08 -1.20 -0.01 0.00 -0.02 0.00 0.00 31.44 30.28 2x58 n GLU 710 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2x58 h TRP 711 N 2.06 -0.68 -0.89 -0.32 6.55 -0.97 -2.90 115.95 118.81 2x58 h TRP 711 Ca 0.00 0.04 0.01 0.00 0.95 0.00 0.00 58.89 59.89 2x58 h TRP 711 Cb 0.45 0.35 -0.04 0.00 -0.86 0.00 0.00 29.16 29.05 2x58 h TRP 711 CO 0.00 -0.33 0.57 1.96 -1.05 0.00 0.00 178.44 179.59 2x58 h GLN 712 N -0.23 1.17 0.00 0.49 1.08 -1.85 -0.65 115.11 115.12 2x58 h GLN 712 Ca 0.15 -0.08 -0.10 0.00 -1.45 0.00 0.00 58.65 57.18 2x58 h GLN 712 Cb 0.48 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2x58 h GLN 712 CO -0.44 0.79 -0.46 0.66 -0.95 0.00 0.00 178.83 178.43 2x58 h SER 713 N 1.20 0.00 -0.00 1.46 4.64 -1.87 0.59 113.55 119.57 2x58 h SER 713 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2x58 h SER 713 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2x58 h SER 713 CO -0.07 0.46 -0.71 0.18 -0.87 0.00 0.00 176.83 175.82 2x58 n LEU 714 N -3.32 1.20 0.00 5.97 4.77 -1.08 -4.67 117.00 119.87 2x58 n LEU 714 Ca 0.01 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 2x58 n LEU 714 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2x58 n LEU 714 CO 0.39 0.26 0.00 0.00 -1.33 0.00 0.00 177.39 176.71 2x58 n ALA 715 N -0.96 0.00 -1.14 -1.18 0.00 -0.27 -4.93 120.51 112.03 2x58 n ALA 715 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.18 2x58 n ALA 715 Cb 0.33 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.89 2x58 n ALA 715 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2x58 s GLY 716 N 0.00 1.69 0.60 0.00 0.00 0.20 -4.92 107.32 104.90 2x58 s GLY 716 Ca 0.00 0.35 0.30 0.00 0.00 0.00 0.00 44.72 45.37 2x58 s GLY 716 CO 0.00 0.72 2.09 -0.56 0.00 0.00 0.00 173.10 175.35 2x58 h PRO 717 N -1.27 0.00 -0.02 2.90 0.13 -1.82 -3.47 132.00 128.44 2x58 h PRO 717 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2x58 h PRO 717 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2x58 h PRO 717 CO 0.49 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.98