#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x58 n ARG -3 N 0.00 2.16 -3.54 -0.52 0.63 -1.26 -4.77 116.66 109.35 2x58 n ARG -3 Ca 0.00 -1.76 -0.07 0.00 -0.92 0.00 0.00 57.85 55.10 2x58 n ARG -3 Cb 0.00 -2.00 -0.02 0.00 0.45 0.00 0.00 32.46 30.89 2x58 n ARG -3 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2x58 s GLY -2 N 0.90 -0.38 0.00 5.14 0.00 -1.26 -5.00 107.32 106.72 2x58 s GLY -2 Ca 0.56 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.59 2x58 s GLY -2 CO -0.12 0.46 0.00 -1.26 0.00 0.00 0.00 173.10 172.18 2x58 n SER -1 N -0.12 0.00 -0.10 1.64 2.88 -1.26 -4.08 113.62 112.58 2x58 n SER -1 Ca -0.05 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.60 2x58 n SER -1 Cb 0.60 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.19 2x58 n SER -1 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2x58 n HIS 0 N 0.00 0.00 0.19 0.66 8.25 -1.26 -4.06 115.22 119.00 2x58 n HIS 0 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 2x58 n HIS 0 Cb 0.00 -0.12 0.38 0.00 1.12 0.00 0.00 29.99 31.37 2x58 n HIS 0 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2x58 h MET 1 N 0.49 0.00 -2.64 -0.41 2.07 -1.73 -3.29 114.93 109.41 2x58 h MET 1 Ca 0.00 0.00 -0.60 0.00 -2.07 0.00 0.00 59.70 57.03 2x58 h MET 1 Cb 0.53 0.00 -0.39 0.00 -1.87 0.00 0.00 31.60 29.87 2x58 h MET 1 CO 0.00 0.36 -0.84 0.00 1.07 0.00 0.00 176.91 177.50 2x58 s ALA 2 N -4.06 1.94 0.05 6.32 0.00 -1.26 0.14 121.76 124.89 2x58 s ALA 2 Ca -0.02 -2.67 -0.30 0.00 0.00 0.00 0.00 51.96 48.97 2x58 s ALA 2 Cb 0.14 -1.76 -0.08 0.00 0.00 0.00 0.00 23.12 21.41 2x58 s ALA 2 CO 0.71 -2.03 1.81 -2.00 0.00 0.00 0.00 175.76 174.25 2x58 s GLU 3 N -0.05 4.16 -0.32 0.00 2.56 -0.13 -4.66 118.70 120.26 2x58 s GLU 3 Ca 0.27 2.47 -0.18 0.00 0.00 0.00 0.00 54.97 57.53 2x58 s GLU 3 Cb -0.06 -3.89 -0.01 0.00 2.00 0.00 0.00 34.13 32.17 2x58 s GLU 3 CO -0.13 -0.86 0.52 -0.47 -0.56 0.00 0.00 175.26 173.76 2x58 s TYR 4 N 3.62 3.20 -0.02 5.30 6.14 -1.26 -1.53 117.35 132.80 2x58 s TYR 4 Ca 0.81 0.33 0.01 0.00 0.64 0.00 0.00 57.07 58.86 2x58 s TYR 4 Cb -0.41 -2.87 0.01 0.00 0.42 0.00 0.00 41.96 39.11 2x58 s TYR 4 CO 0.36 -0.46 -0.03 -1.17 0.64 0.00 0.00 175.55 174.89 2x58 s LEU 5 N 2.38 1.65 0.01 6.97 2.96 -0.63 -5.01 118.68 127.02 2x58 s LEU 5 Ca 0.20 -0.08 -0.18 0.00 -0.22 0.00 0.00 54.13 53.85 2x58 s LEU 5 Cb -0.15 -0.27 -0.06 0.00 0.50 0.00 0.00 46.19 46.20 2x58 s LEU 5 CO 0.12 -0.01 0.52 -0.60 -1.32 0.00 0.00 176.35 175.07 2x58 s ARG 6 N 0.39 4.17 0.39 1.98 6.06 -1.26 0.76 118.95 131.43 2x58 s ARG 6 Ca -0.04 0.62 0.08 0.00 -2.50 0.00 0.00 55.73 53.89 2x58 s ARG 6 Cb -0.08 -3.28 -0.07 0.00 0.06 0.00 0.00 34.95 31.58 2x58 s ARG 6 CO -0.00 0.54 -0.01 -0.51 -2.50 0.00 0.00 175.30 172.81 2x58 s LEU 7 N -0.69 2.86 0.88 -0.88 1.02 -0.27 -4.88 118.68 116.71 2x58 s LEU 7 Ca 0.28 -1.29 -0.10 0.00 0.02 0.00 0.00 54.13 53.04 2x58 s LEU 7 Cb -0.18 -0.98 0.12 0.00 0.02 0.00 0.00 46.19 45.17 2x58 s LEU 7 CO 0.16 -0.37 1.12 -2.16 0.02 0.00 0.00 176.35 175.11 2x58 s PRO 8 N -3.69 1.34 -1.48 1.29 0.04 -1.26 -3.81 135.00 127.42 2x58 s PRO 8 Ca 0.35 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2x58 s PRO 8 Cb 0.07 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2x58 s PRO 8 CO 0.18 -2.33 0.00 0.72 0.04 0.00 0.00 177.00 175.60 2x58 n HIS 9 N -4.01 -0.60 -2.06 0.56 8.25 -1.26 -3.20 115.22 112.90 2x58 n HIS 9 Ca 0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.43 2x58 n HIS 9 Cb 0.53 -3.23 -0.02 0.00 1.12 0.00 0.00 29.99 28.39 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 -1.03 -4.26 -4.93 0.41 7.64 -1.25 -4.94 113.62 105.25 2x58 n SER 10 Ca -0.19 0.06 -0.20 0.00 1.01 0.00 0.00 58.87 59.56 2x58 n SER 10 Cb 0.62 -3.33 -0.02 0.00 -1.01 0.00 0.00 64.21 60.47 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 -3.68 3.79 0.08 -3.43 1.43 -1.19 -0.72 118.68 114.96 2x58 s LEU 11 Ca 0.00 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 2x58 s LEU 11 Cb 0.00 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 2x58 s LEU 11 CO 0.00 -0.43 -0.11 0.00 0.23 0.00 0.00 176.35 176.04 2x58 s ALA 12 N -2.25 1.09 -0.03 4.21 0.00 -0.97 -1.12 121.76 122.69 2x58 s ALA 12 Ca 0.44 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.37 2x58 s ALA 12 Cb -0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2x58 s ALA 12 CO 0.29 0.04 -0.14 1.41 0.00 0.00 0.00 175.76 177.36 2x58 s MET 13 N -2.26 2.43 -0.23 0.00 1.75 0.23 -0.95 119.30 120.27 2x58 s MET 13 Ca 0.01 -0.75 -0.01 0.00 -1.25 0.00 0.00 55.69 53.69 2x58 s MET 13 Cb -0.06 -2.35 0.03 0.00 2.84 0.00 0.00 34.83 35.28 2x58 s MET 13 CO 0.01 0.61 -0.09 0.42 -0.65 0.00 0.00 175.02 175.31 2x58 s ILE 14 N -0.79 2.65 -0.28 10.11 1.01 0.39 -1.61 121.20 132.68 2x58 s ILE 14 Ca 0.13 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.73 2x58 s ILE 14 Cb -0.11 -2.32 0.06 0.00 0.01 0.00 0.00 42.46 40.10 2x58 s ILE 14 CO 0.02 0.25 -0.06 -0.60 0.00 0.00 0.00 174.94 174.55 2x58 s ARG 15 N 1.30 2.27 -0.02 2.79 3.52 -0.58 -1.58 118.95 126.64 2x58 s ARG 15 Ca 0.00 -1.35 -0.30 0.00 -0.13 0.00 0.00 55.73 53.95 2x58 s ARG 15 Cb -0.16 -3.02 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 2x58 s ARG 15 CO -0.06 -0.61 1.44 -0.51 -0.81 0.00 0.00 175.30 174.74 2x58 s LEU 16 N 1.15 4.30 -0.40 -0.88 1.43 0.34 -0.95 118.68 123.67 2x58 s LEU 16 Ca -0.06 2.10 0.02 0.00 -1.03 0.00 0.00 54.13 55.16 2x58 s LEU 16 Cb -0.20 -3.55 0.12 0.00 0.03 0.00 0.00 46.19 42.59 2x58 s LEU 16 CO -0.04 -0.77 0.19 0.00 0.23 0.00 0.00 176.35 175.97 2x58 s ASN 18 N 0.67 1.91 0.55 0.00 2.47 -1.26 -4.22 114.94 115.06 2x58 s ASN 18 Ca 0.15 -3.19 -0.21 0.00 0.42 0.00 0.00 52.86 50.03 2x58 s ASN 18 Cb -0.22 -0.61 -0.05 0.00 -1.45 0.00 0.00 41.25 38.91 2x58 s ASN 18 CO -0.06 -0.16 1.22 -0.81 -3.72 0.00 0.00 177.10 173.57 2x58 n PRO 19 N 2.71 1.44 0.06 0.43 -0.04 -1.26 0.09 135.00 138.43 2x58 n PRO 19 Ca 0.28 0.53 0.13 0.00 -0.04 0.00 0.00 63.50 64.41 2x58 n PRO 19 Cb 0.46 -2.42 0.40 0.00 -0.04 0.00 0.00 33.50 31.91 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 -0.92 0.18 -0.37 0.54 -0.04 -1.26 -4.79 135.00 128.34 2x58 n PRO 20 Ca 0.11 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2x58 n PRO 20 Cb 0.45 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.97 0.00 -3.01 0.52 0.24 -1.18 -5.00 118.33 107.93 2x58 n VAL 21 Ca 0.06 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.13 2x58 n VAL 21 Cb 0.40 0.44 0.03 0.00 -1.47 0.00 0.00 33.84 33.24 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 0.00 -5.90 -4.70 -1.34 3.02 0.11 -2.52 115.26 103.93 2x58 n ASN 22 Ca 0.00 -0.28 -0.38 0.00 -0.03 0.00 0.00 54.58 53.90 2x58 n ASN 22 Cb 0.60 -4.78 0.06 0.00 -0.61 0.00 0.00 39.78 35.05 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 -3.46 1.01 -2.66 5.41 0.00 -1.23 -4.15 120.51 115.43 2x58 n ALA 23 Ca -0.11 0.03 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 2x58 n ALA 23 Cb 0.62 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.73 2x58 n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2x58 s VAL 24 N -1.39 5.02 0.35 0.00 0.11 0.52 -4.80 120.40 120.21 2x58 s VAL 24 Ca 0.78 1.19 0.09 0.00 -2.93 0.00 0.00 61.98 61.11 2x58 s VAL 24 Cb -0.40 -3.95 -0.05 0.00 -1.53 0.00 0.00 36.38 30.45 2x58 s VAL 24 CO 0.44 0.10 0.06 -0.94 -3.33 0.00 0.00 175.10 171.44 2x58 s SER 25 N 1.21 4.33 0.45 3.54 1.04 -1.26 -2.95 113.70 120.06 2x58 s SER 25 Ca 0.29 -0.95 0.24 0.00 0.48 0.00 0.00 55.95 56.01 2x58 s SER 25 Cb -0.16 -0.58 1.25 0.00 0.10 0.00 0.00 66.02 66.63 2x58 s SER 25 CO 0.10 -0.29 1.81 -0.65 0.98 0.00 0.00 173.24 175.19 2x58 h PRO 26 N 1.70 0.25 -0.08 4.02 0.11 -1.99 -1.07 132.00 134.94 2x58 h PRO 26 Ca -0.43 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2x58 h PRO 26 Cb 1.25 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2x58 h PRO 26 CO 0.66 0.17 -0.06 1.15 -0.21 0.00 0.00 178.00 179.72 2x58 h THR 27 N 0.26 1.35 -0.85 -1.15 2.02 -1.96 0.17 112.91 112.75 2x58 h THR 27 Ca 0.54 -1.14 0.17 0.00 0.77 0.00 0.00 66.41 66.76 2x58 h THR 27 Cb 1.63 1.94 -0.11 0.00 -1.74 0.00 0.00 68.15 69.88 2x58 h THR 27 CO -0.18 0.32 0.39 0.58 0.37 0.00 0.00 175.52 177.00 2x58 h VAL 28 N -0.23 0.61 0.33 3.16 2.07 -1.58 0.37 116.25 120.99 2x58 h VAL 28 Ca 0.01 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2x58 h VAL 28 Cb 0.53 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2x58 h VAL 28 CO 0.01 0.09 -0.16 0.40 0.02 0.00 0.00 177.57 177.94 2x58 h ILE 29 N 0.50 0.69 -0.65 4.57 2.04 -1.08 -0.83 117.51 122.76 2x58 h ILE 29 Ca 0.49 -0.17 0.12 0.00 1.00 0.00 0.00 64.86 66.30 2x58 h ILE 29 Cb 0.81 0.78 -0.12 0.00 -0.74 0.00 0.00 36.82 37.55 2x58 h ILE 29 CO -0.44 0.04 -0.27 0.03 0.00 0.00 0.00 178.15 177.51 2x58 h ARG 30 N -0.54 -0.09 0.00 2.37 3.08 0.18 -0.20 114.38 119.18 2x58 h ARG 30 Ca -0.05 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 2x58 h ARG 30 Cb 0.40 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2x58 h ARG 30 CO 0.08 -0.06 -0.66 0.93 -1.07 0.00 0.00 179.97 179.19 2x58 h GLU 31 N -0.09 0.00 -0.62 0.04 5.08 -0.87 0.02 114.58 118.14 2x58 h GLU 31 Ca 0.28 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 2x58 h GLU 31 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2x58 h GLU 31 CO -0.70 0.66 0.03 0.28 -1.00 0.00 0.00 179.01 178.28 2x58 h VAL 32 N 0.00 1.26 0.01 3.13 2.07 -0.72 -0.63 116.25 121.38 2x58 h VAL 32 Ca -0.01 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 2x58 h VAL 32 Cb 1.28 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2x58 h VAL 32 CO 0.09 0.41 -0.01 0.03 0.02 0.00 0.00 177.57 178.11 2x58 h ARG 33 N 0.97 -0.02 -0.82 1.57 3.08 -0.37 -1.96 114.38 116.84 2x58 h ARG 33 Ca 0.18 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.40 2x58 h ARG 33 Cb 0.52 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.47 2x58 h ARG 33 CO 0.03 0.02 0.36 -0.91 -1.07 0.00 0.00 179.97 178.39 2x58 h ASN 34 N -0.05 0.34 -0.40 7.04 2.35 -0.83 -1.40 115.58 122.63 2x58 h ASN 34 Ca -0.00 0.12 0.04 0.00 -0.55 0.00 0.00 56.30 55.91 2x58 h ASN 34 Cb 0.04 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 2x58 h ASN 34 CO 0.00 0.10 0.15 1.23 -1.65 0.00 0.00 177.43 177.27 2x58 h GLY 35 N 0.47 0.52 1.18 2.83 0.00 -0.59 -2.61 103.07 104.87 2x58 h GLY 35 Ca 0.47 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 2x58 h GLY 35 CO -0.43 0.04 0.37 1.41 0.00 0.00 0.00 176.54 177.93 2x58 h LEU 36 N 0.32 0.96 -0.37 3.11 3.38 -0.54 -1.90 115.31 120.28 2x58 h LEU 36 Ca 0.18 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2x58 h LEU 36 Cb 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2x58 h LEU 36 CO -0.17 0.80 0.09 1.56 0.09 0.00 0.00 178.44 180.81 2x58 h GLN 37 N 1.06 0.59 -0.21 1.13 4.20 -1.11 -1.56 115.11 119.20 2x58 h GLN 37 Ca 0.26 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 2x58 h GLN 37 Cb 0.08 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2x58 h GLN 37 CO -0.04 0.63 -0.02 0.87 -0.67 0.00 0.00 178.83 179.61 2x58 h LYS 38 N 0.45 0.39 0.00 1.46 1.57 -1.36 -2.88 116.57 116.20 2x58 h LYS 38 Ca 0.12 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2x58 h LYS 38 Cb 0.30 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 2x58 h LYS 38 CO 0.00 0.60 -0.01 0.00 -0.57 0.00 0.00 179.45 179.47 2x58 h ALA 39 N 0.78 1.06 0.09 3.86 0.00 -1.28 -3.21 119.26 120.56 2x58 h ALA 39 Ca 0.06 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 2x58 h ALA 39 Cb 0.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2x58 h ALA 39 CO 0.01 0.02 -1.30 0.78 0.00 0.00 0.00 179.25 178.76 2x58 h GLY 40 N 0.58 0.21 -2.47 0.00 0.00 -1.08 -3.33 103.07 96.98 2x58 h GLY 40 Ca -0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 47.33 46.67 2x58 h GLY 40 CO 0.00 0.47 0.17 -1.14 0.00 0.00 0.00 176.54 176.03 2x58 n SER 41 N -4.05 3.09 -3.73 0.19 3.41 -1.13 -4.70 113.62 106.71 2x58 n SER 41 Ca -0.25 -2.47 -0.30 0.00 -0.26 0.00 0.00 58.87 55.59 2x58 n SER 41 Cb 0.84 -0.60 -0.15 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.17 3.91 0.05 4.04 -1.08 -1.24 -5.01 116.67 117.51 2x58 s ASP 42 Ca 0.18 -1.55 0.07 0.00 -0.52 0.00 0.00 52.55 50.74 2x58 s ASP 42 Cb 0.15 -0.82 0.35 0.00 -1.46 0.00 0.00 42.92 41.14 2x58 s ASP 42 CO 0.04 -0.40 1.23 0.00 0.52 0.00 0.00 175.17 176.56 2x58 n HIS 43 N 4.88 0.13 0.64 -5.34 1.44 -1.26 -1.38 115.22 114.33 2x58 n HIS 43 Ca -0.03 0.06 0.12 0.00 -2.01 0.00 0.00 57.72 55.86 2x58 n HIS 43 Cb 0.42 -0.60 0.20 0.00 0.12 0.00 0.00 29.99 30.14 2x58 n HIS 43 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2x58 n THR 44 N -1.63 0.31 -3.09 0.61 -2.24 -1.26 -4.72 114.28 102.26 2x58 n THR 44 Ca 0.01 -0.23 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 2x58 n THR 44 Cb 0.06 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 2x58 n THR 44 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2x58 s VAL 45 N -3.14 5.01 -0.01 2.28 1.01 -0.48 -4.62 120.40 120.46 2x58 s VAL 45 Ca 0.07 1.24 0.04 0.00 0.00 0.00 0.00 61.98 63.34 2x58 s VAL 45 Cb 0.14 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 2x58 s VAL 45 CO 0.71 0.12 0.08 0.29 0.00 0.00 0.00 175.10 176.30 2x58 n LYS 46 N 4.93 0.82 -3.86 2.72 5.02 0.10 -4.92 118.16 122.97 2x58 n LYS 46 Ca -0.01 -0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.15 2x58 n LYS 46 Cb 0.50 -1.11 -0.06 0.00 -0.02 0.00 0.00 35.03 34.34 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 -2.26 -0.28 -0.06 7.82 0.00 -1.25 -4.11 121.76 121.61 2x58 s ALA 47 Ca -0.02 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2x58 s ALA 47 Cb 0.03 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.87 2x58 s ALA 47 CO 0.18 -0.62 -0.15 0.42 0.00 0.00 0.00 175.76 175.60 2x58 s ILE 48 N -3.90 1.34 -0.21 0.00 1.01 -0.39 -2.30 121.20 116.74 2x58 s ILE 48 Ca 0.10 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 2x58 s ILE 48 Cb 0.03 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 2x58 s ILE 48 CO -0.06 0.40 0.18 -0.69 0.00 0.00 0.00 174.94 174.77 2x58 s VAL 49 N 0.46 5.36 -0.20 2.92 1.01 -0.12 -0.09 120.40 129.74 2x58 s VAL 49 Ca -0.13 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 2x58 s VAL 49 Cb -0.15 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2x58 s VAL 49 CO 0.04 0.38 0.02 -0.63 0.00 0.00 0.00 175.10 174.91 2x58 s ILE 50 N 0.71 4.16 0.26 2.22 1.01 0.11 -0.46 121.20 129.20 2x58 s ILE 50 Ca 0.10 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.44 2x58 s ILE 50 Cb -0.12 -2.89 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 2x58 s ILE 50 CO 0.02 0.42 0.37 0.00 0.00 0.00 0.00 174.94 175.75 2x58 s GLY 52 N -3.12 2.21 0.48 0.00 0.00 -1.26 -0.51 107.32 105.12 2x58 s GLY 52 Ca 0.30 -0.73 -0.07 0.00 0.00 0.00 0.00 44.72 44.21 2x58 s GLY 52 CO 0.13 -0.66 0.81 0.00 0.00 0.00 0.00 173.10 173.37 2x58 s ALA 53 N -1.49 3.35 -1.65 3.20 0.00 -0.38 -4.56 121.76 120.23 2x58 s ALA 53 Ca 0.34 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2x58 s ALA 53 Cb -0.13 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2x58 s ALA 53 CO 0.24 -0.29 0.00 0.09 0.00 0.00 0.00 175.76 175.80 2x58 n ASN 54 N -2.05 -5.46 0.00 0.00 4.13 -1.26 -3.37 115.26 107.25 2x58 n ASN 54 Ca 0.02 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.29 2x58 n ASN 54 Cb 0.55 -4.52 0.00 0.00 -1.54 0.00 0.00 39.78 34.27 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 -0.99 0.66 3.07 7.41 0.00 -1.26 -5.04 105.19 109.04 2x58 n GLY 55 Ca -0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.94 1.28 -0.01 1.61 0.01 -1.22 -3.24 114.94 110.42 2x58 s ASN 56 Ca 0.00 -0.32 -0.10 0.00 -0.71 0.00 0.00 52.86 51.73 2x58 s ASN 56 Cb 0.00 -0.10 -0.06 0.00 0.41 0.00 0.00 41.25 41.51 2x58 s ASN 56 CO 0.00 0.05 0.65 0.15 -1.51 0.00 0.00 177.10 176.44 2x58 h PHE 57 N 5.37 -0.34 -1.00 2.20 3.57 -0.18 -3.31 116.94 123.26 2x58 h PHE 57 Ca -0.34 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.33 2x58 h PHE 57 Cb 1.18 0.11 -0.26 0.00 2.79 0.00 0.00 35.95 39.77 2x58 h PHE 57 CO 0.48 -0.21 0.35 0.00 -2.23 0.00 0.00 178.31 176.70 2x58 n ALA 59 N 4.48 2.83 0.00 0.00 0.00 -1.05 -1.05 120.51 125.72 2x58 n ALA 59 Ca -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2x58 n ALA 59 Cb 0.54 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.47 3.76 0.00 0.00 -1.12 -4.45 105.19 105.18 2x58 n GLY 60 Ca 0.13 -2.21 -0.32 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.75 2.31 0.03 4.61 0.00 -1.26 -0.36 121.76 125.33 2x58 s ALA 61 Ca 0.00 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 2x58 s ALA 61 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 2x58 s ALA 61 CO 0.00 -1.57 1.22 0.34 0.00 0.00 0.00 175.76 175.75 2x58 s ASP 62 N -2.76 7.05 -0.05 0.00 3.68 -1.15 -4.74 116.67 118.71 2x58 s ASP 62 Ca 0.66 1.98 0.18 0.00 2.13 0.00 0.00 52.55 57.50 2x58 s ASP 62 Cb -0.21 -2.57 -0.22 0.00 -1.45 0.00 0.00 42.92 38.47 2x58 s ASP 62 CO 0.47 -0.52 0.50 0.00 0.13 0.00 0.00 175.17 175.74 2x58 n ILE 63 N 4.16 0.97 1.46 4.11 3.06 -1.26 -2.25 119.36 129.60 2x58 n ILE 63 Ca 0.10 -0.70 0.00 0.00 -2.50 0.00 0.00 62.75 59.65 2x58 n ILE 63 Cb 0.46 -0.47 0.00 0.00 0.54 0.00 0.00 39.64 40.17 2x58 n ILE 63 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 2x58 n HIS 64 N -2.69 0.00 -2.28 9.51 8.25 -1.26 -3.89 115.22 122.86 2x58 n HIS 64 Ca -0.16 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.32 2x58 n HIS 64 Cb 0.88 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.97 2x58 n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2x58 n GLY 65 N 0.27 0.79 3.84 -1.41 0.00 -0.95 -5.08 105.19 102.64 2x58 n GLY 65 Ca 0.00 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 2x58 n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x58 s PHE 66 N 0.00 3.72 0.00 1.61 0.40 -1.22 -3.81 117.98 118.68 2x58 s PHE 66 Ca 0.19 1.01 0.00 0.00 -0.60 0.00 0.00 56.93 57.53 2x58 s PHE 66 Cb 0.22 -2.30 0.00 0.00 0.51 0.00 0.00 43.02 41.44 2x58 s PHE 66 CO -0.09 0.61 0.00 0.43 0.70 0.00 0.00 175.22 176.87 2x58 n SER 67 N 1.65 0.00 0.26 1.36 7.64 -1.26 -4.93 113.62 118.34 2x58 n SER 67 Ca -0.12 -0.14 0.17 0.00 1.01 0.00 0.00 58.87 59.78 2x58 n SER 67 Cb 0.52 0.00 0.65 0.00 -1.01 0.00 0.00 64.21 64.37 2x58 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x58 h ALA 68 N 2.00 1.00 0.00 -0.43 0.00 -1.92 -3.25 119.26 116.65 2x58 h ALA 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x58 h ALA 68 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2x58 h ALA 68 CO 0.00 0.00 -0.17 1.19 0.00 0.00 0.00 179.25 180.27 2x58 n PHE 69 N -3.02 0.00 0.00 0.00 3.01 -1.26 -4.43 117.46 111.77 2x58 n PHE 69 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2x58 n PHE 69 Cb 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 2x58 n PHE 69 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2x58 n THR 70 N -0.83 0.00 -1.65 4.37 -1.04 -1.23 -4.77 114.28 109.14 2x58 n THR 70 Ca 0.00 0.33 -0.46 0.00 -2.04 0.00 0.00 64.05 61.88 2x58 n THR 70 Cb 0.00 -1.18 -0.04 0.00 -1.82 0.00 0.00 70.33 67.29 2x58 n THR 70 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2x58 n PRO 71 N -1.86 2.27 -2.48 -2.82 -0.02 -1.25 -4.82 135.00 124.03 2x58 n PRO 71 Ca 0.00 0.80 -0.22 0.00 -2.02 0.00 0.00 63.50 62.06 2x58 n PRO 71 Cb 0.00 -2.82 0.01 0.00 -0.02 0.00 0.00 33.50 30.68 2x58 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x58 n GLY 72 N 4.78 4.98 4.58 -1.23 0.00 -1.26 -5.02 105.19 112.02 2x58 n GLY 72 Ca 0.24 -2.39 0.00 0.00 0.00 0.00 0.00 46.02 43.87 2x58 n GLY 72 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2x58 n LEU 73 N -0.43 0.00 0.24 0.99 7.94 -1.26 -4.67 117.00 119.82 2x58 n LEU 73 Ca 0.32 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.35 2x58 n LEU 73 Cb 0.74 -0.08 0.52 0.00 0.53 0.00 0.00 43.42 45.12 2x58 n LEU 73 CO 0.32 0.00 0.86 0.00 -1.11 0.00 0.00 177.39 177.46 2x58 h ALA 74 N 0.00 1.02 -0.58 1.96 0.00 -1.95 -3.10 119.26 116.61 2x58 h ALA 74 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2x58 h ALA 74 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2x58 h ALA 74 CO 0.00 0.18 0.27 1.25 0.00 0.00 0.00 179.25 180.95 2x58 h LEU 75 N 0.00 0.77 -0.91 0.00 5.85 -1.93 -1.24 115.31 117.85 2x58 h LEU 75 Ca -0.00 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.63 2x58 h LEU 75 Cb 0.68 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 2x58 h LEU 75 CO 0.02 0.69 0.58 1.23 -0.34 0.00 0.00 178.44 180.62 2x58 h GLY 76 N 0.79 1.35 1.25 3.75 0.00 -1.76 0.05 103.07 108.50 2x58 h GLY 76 Ca 0.20 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 2x58 h GLY 76 CO -0.02 0.33 -0.13 0.23 0.00 0.00 0.00 176.54 176.95 2x58 h SER 77 N 1.08 0.88 -0.59 0.19 0.87 -1.55 -2.33 113.55 112.10 2x58 h SER 77 Ca 0.38 -0.28 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2x58 h SER 77 Cb 0.10 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 2x58 h SER 77 CO -0.15 1.02 0.17 0.25 -0.53 0.00 0.00 176.83 177.59 2x58 h LEU 78 N 0.79 0.87 -0.50 2.23 5.85 0.00 0.19 115.31 124.74 2x58 h LEU 78 Ca 0.13 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.72 2x58 h LEU 78 Cb 0.65 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 2x58 h LEU 78 CO 0.05 0.86 0.04 0.58 -0.34 0.00 0.00 178.44 179.62 2x58 h VAL 79 N 0.84 0.65 -0.22 1.05 2.07 -0.86 0.08 116.25 119.87 2x58 h VAL 79 Ca 0.19 -0.06 -0.16 0.00 0.82 0.00 0.00 66.70 67.49 2x58 h VAL 79 Cb 0.30 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2x58 h VAL 79 CO -0.00 0.03 -0.52 0.44 0.02 0.00 0.00 177.57 177.53 2x58 h ASP 80 N 0.16 0.69 -0.63 0.57 3.32 -1.06 -2.58 116.42 116.89 2x58 h ASP 80 Ca 0.25 -0.36 0.03 0.00 0.02 0.00 0.00 57.03 56.97 2x58 h ASP 80 Cb 0.37 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2x58 h ASP 80 CO -0.38 1.08 0.39 -0.08 -1.72 0.00 0.00 179.24 178.53 2x58 h GLU 81 N 0.49 0.74 -0.22 3.56 4.81 0.02 -2.13 114.58 121.84 2x58 h GLU 81 Ca 0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2x58 h GLU 81 Cb 1.07 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 2x58 h GLU 81 CO 0.10 0.49 0.10 0.82 -0.73 0.00 0.00 179.01 179.79 2x58 h ILE 82 N 0.76 1.14 -0.45 2.32 2.04 -0.96 -2.75 117.51 119.61 2x58 h ILE 82 Ca 0.25 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.80 2x58 h ILE 82 Cb 0.03 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 2x58 h ILE 82 CO -0.11 0.14 -0.02 1.56 0.00 0.00 0.00 178.15 179.72 2x58 h GLN 83 N 0.22 0.09 0.00 2.37 4.20 -1.19 -0.89 115.11 119.91 2x58 h GLN 83 Ca 0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2x58 h GLN 83 Cb 0.12 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2x58 h GLN 83 CO -0.01 0.06 0.00 0.54 -0.67 0.00 0.00 178.83 178.75 2x58 n ARG 84 N -5.23 0.18 -1.71 1.46 1.74 -0.83 -4.82 116.66 107.45 2x58 n ARG 84 Ca 0.04 0.15 -0.38 0.00 -0.77 0.00 0.00 57.85 56.89 2x58 n ARG 84 Cb 0.24 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.34 1.82 0.22 -1.55 9.36 -0.34 -4.92 117.16 120.40 2x58 n TYR 85 Ca 0.07 0.43 0.11 0.00 3.32 0.00 0.00 57.90 61.83 2x58 n TYR 85 Cb 0.15 -2.27 0.21 0.00 -0.63 0.00 0.00 39.34 36.80 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 -1.45 2.44 -4.68 2.98 1.13 -1.26 -4.84 117.38 111.70 2x58 n GLN 86 Ca 0.14 -2.24 -0.28 0.00 -1.94 0.00 0.00 57.00 52.68 2x58 n GLN 86 Cb 0.47 -1.48 -0.14 0.00 0.11 0.00 0.00 30.24 29.20 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 -1.37 1.56 0.36 -1.09 1.02 -1.26 -5.05 119.74 113.91 2x58 s LYS 87 Ca 0.37 -1.12 -0.28 0.00 0.02 0.00 0.00 55.97 54.95 2x58 s LYS 87 Cb 0.21 -1.80 -0.11 0.00 -0.52 0.00 0.00 37.83 35.62 2x58 s LYS 87 CO 0.29 0.45 1.50 -2.14 -0.92 0.00 0.00 175.35 174.54 2x58 s PRO 88 N -1.45 4.13 -0.15 -1.68 0.02 -1.26 -4.82 135.00 129.79 2x58 s PRO 88 Ca 0.11 2.55 0.01 0.00 0.02 0.00 0.00 61.00 63.69 2x58 s PRO 88 Cb -0.10 -2.99 0.02 0.00 0.02 0.00 0.00 34.50 31.45 2x58 s PRO 88 CO 0.03 -0.53 -0.18 0.08 -0.33 0.00 0.00 177.00 176.07 2x58 s VAL 89 N -0.88 1.80 -0.16 3.83 1.01 -1.26 -1.27 120.40 123.47 2x58 s VAL 89 Ca 0.55 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 2x58 s VAL 89 Cb -0.46 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2x58 s VAL 89 CO 0.59 0.50 -0.11 -0.76 0.00 0.00 0.00 175.10 175.32 2x58 s LEU 90 N 1.22 2.72 -0.21 3.92 1.02 0.88 -1.07 118.68 127.15 2x58 s LEU 90 Ca 0.01 -0.37 -0.23 0.00 0.02 0.00 0.00 54.13 53.56 2x58 s LEU 90 Cb -0.14 -1.63 -0.01 0.00 0.02 0.00 0.00 46.19 44.42 2x58 s LEU 90 CO -0.08 0.11 0.75 0.00 0.02 0.00 0.00 176.35 177.15 2x58 s ALA 91 N 0.70 3.58 -0.29 4.21 0.00 0.16 -0.71 121.76 129.40 2x58 s ALA 91 Ca -0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.65 2x58 s ALA 91 Cb -0.15 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2x58 s ALA 91 CO 0.02 -0.73 0.15 0.00 0.00 0.00 0.00 175.76 175.20 2x58 s ALA 92 N 2.34 3.35 -0.41 0.00 0.00 0.51 -1.42 121.76 126.13 2x58 s ALA 92 Ca 0.33 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 2x58 s ALA 92 Cb -0.16 -2.37 0.09 0.00 0.00 0.00 0.00 23.12 20.68 2x58 s ALA 92 CO 0.10 -0.71 0.23 0.42 0.00 0.00 0.00 175.76 175.79 2x58 s ILE 93 N 1.67 3.84 -0.04 0.00 1.01 0.21 -4.19 121.20 123.69 2x58 s ILE 93 Ca 0.06 -1.64 -0.13 0.00 0.00 0.00 0.00 60.65 58.94 2x58 s ILE 93 Cb -0.16 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 2x58 s ILE 93 CO 0.07 -0.56 0.33 -1.58 0.00 0.00 0.00 174.94 173.21 2x58 s GLN 94 N 1.32 3.83 7.44 2.79 2.00 -1.26 -1.95 119.66 133.83 2x58 s GLN 94 Ca 0.04 0.25 0.00 0.00 -2.00 0.00 0.00 55.36 53.65 2x58 s GLN 94 Cb -0.23 -3.23 0.00 0.00 0.80 0.00 0.00 33.01 30.35 2x58 s GLN 94 CO -0.00 0.67 0.00 0.41 -0.50 0.00 0.00 175.29 175.86 2x58 n GLY 95 N 2.01 2.42 3.38 2.59 0.00 -1.20 0.04 105.19 114.43 2x58 n GLY 95 Ca -0.15 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 2.67 -0.30 1.61 1.01 -1.26 -1.36 120.40 122.77 2x58 s VAL 96 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 2x58 s VAL 96 Cb 0.00 -2.03 0.09 0.00 0.00 0.00 0.00 36.38 34.44 2x58 s VAL 96 CO 0.00 0.57 0.07 0.00 0.00 0.00 0.00 175.10 175.74 2x58 s ALA 97 N -0.36 1.75 0.05 5.51 0.00 -0.75 -0.54 121.76 127.42 2x58 s ALA 97 Ca 0.03 -1.71 0.06 0.00 0.00 0.00 0.00 51.96 50.33 2x58 s ALA 97 Cb -0.12 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 2x58 s ALA 97 CO 0.02 -1.60 -0.16 -0.51 0.00 0.00 0.00 175.76 173.52 2x58 s LEU 98 N 1.50 2.20 0.00 0.00 1.43 -0.22 -2.93 118.68 120.66 2x58 s LEU 98 Ca 0.08 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2x58 s LEU 98 Cb -0.18 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.35 2x58 s LEU 98 CO -0.20 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.04 2x58 n GLY 99 N 1.72 3.75 0.26 -3.19 0.00 0.20 -0.41 105.19 107.52 2x58 n GLY 99 Ca -0.18 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 45.96 2x58 n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2x58 h GLY 100 N 0.00 0.00 0.41 -0.02 0.00 -1.88 -1.10 103.07 100.48 2x58 h GLY 100 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2x58 h GLY 100 CO 0.00 0.00 -0.07 -1.33 0.00 0.00 0.00 176.54 175.14 2x58 h GLY 101 N 0.00 -0.21 0.41 4.60 0.00 -0.94 0.21 103.07 107.13 2x58 h GLY 101 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 47.33 47.52 2x58 h GLY 101 CO 0.00 -0.08 0.43 -2.00 0.00 0.00 0.00 176.54 174.89 2x58 h LEU 102 N -0.79 0.57 -0.11 3.11 5.85 -1.42 -1.82 115.31 120.70 2x58 h LEU 102 Ca -0.02 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2x58 h LEU 102 Cb 0.53 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2x58 h LEU 102 CO 0.03 0.30 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.01 2x58 h GLU 103 N 0.69 -0.11 -0.78 1.25 5.08 -1.24 0.54 114.58 120.02 2x58 h GLU 103 Ca 0.41 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.92 2x58 h GLU 103 Cb 0.46 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 2x58 h GLU 103 CO -0.29 -0.07 0.52 1.25 -1.00 0.00 0.00 179.01 179.41 2x58 h LEU 104 N -0.11 0.43 0.04 1.33 5.85 -0.40 -2.01 115.31 120.44 2x58 h LEU 104 Ca 0.07 0.03 -0.25 0.00 0.84 0.00 0.00 57.88 58.57 2x58 h LEU 104 Cb 0.22 -0.06 0.02 0.00 0.37 0.00 0.00 40.66 41.21 2x58 h LEU 104 CO -0.17 0.22 -1.01 0.00 -0.34 0.00 0.00 178.44 177.14 2x58 h ALA 105 N 1.64 0.07 0.00 1.25 0.00 -0.38 -2.49 119.26 119.36 2x58 h ALA 105 Ca 0.38 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2x58 h ALA 105 Cb 0.83 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2x58 h ALA 105 CO -0.13 0.61 0.02 -0.07 0.00 0.00 0.00 179.25 179.67 2x58 h LEU 106 N 0.24 0.00 -0.68 0.00 3.38 -0.27 -0.40 115.31 117.58 2x58 h LEU 106 Ca -0.14 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 2x58 h LEU 106 Cb 1.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2x58 h LEU 106 CO 0.20 0.00 -0.28 1.23 0.09 0.00 0.00 178.44 179.68 2x58 h GLY 107 N 0.00 0.79 -1.27 0.83 0.00 -0.91 -3.45 103.07 99.06 2x58 h GLY 107 Ca 0.00 -0.70 -0.51 0.00 0.00 0.00 0.00 47.33 46.12 2x58 h GLY 107 CO 0.00 0.64 0.27 0.00 0.00 0.00 0.00 176.54 177.45 2x58 h HIS 109 N -1.50 0.27 -4.08 0.00 -0.00 -1.36 -3.47 115.15 105.02 2x58 h HIS 109 Ca -0.44 -0.20 -0.45 0.00 -0.00 0.00 0.00 60.37 59.28 2x58 h HIS 109 Cb 1.25 -0.01 -0.26 0.00 -0.00 0.00 0.00 27.41 28.39 2x58 h HIS 109 CO 0.53 1.19 -0.80 0.71 -0.00 0.00 0.00 177.93 179.56 2x58 s TYR 110 N -2.65 1.20 -0.23 2.45 2.02 -0.87 -4.90 117.35 114.36 2x58 s TYR 110 Ca -0.04 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 56.34 2x58 s TYR 110 Cb 0.08 -0.73 0.07 0.00 -0.40 0.00 0.00 41.96 40.98 2x58 s TYR 110 CO 0.85 0.02 0.00 1.03 -1.57 0.00 0.00 175.55 175.87 2x58 s ARG 111 N -0.86 1.15 -0.13 -0.62 0.52 -1.26 0.37 118.95 118.12 2x58 s ARG 111 Ca 0.03 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.41 2x58 s ARG 111 Cb -0.07 -2.36 -0.03 0.00 0.52 0.00 0.00 34.95 33.02 2x58 s ARG 111 CO 0.01 -0.67 -0.06 0.42 0.02 0.00 0.00 175.30 175.02 2x58 s ILE 112 N 1.58 3.71 0.03 1.52 1.09 -0.51 0.19 121.20 128.81 2x58 s ILE 112 Ca -0.02 -0.44 0.03 0.00 -1.10 0.00 0.00 60.65 59.13 2x58 s ILE 112 Cb -0.18 -2.59 -0.02 0.00 -1.06 0.00 0.00 42.46 38.61 2x58 s ILE 112 CO -0.09 0.52 -0.10 0.00 -0.10 0.00 0.00 174.94 175.17 2x58 s ALA 113 N 0.08 0.85 0.63 9.38 0.00 -0.67 -0.62 121.76 131.40 2x58 s ALA 113 Ca -0.02 -0.66 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 2x58 s ALA 113 Cb -0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 2x58 s ALA 113 CO 0.03 0.13 1.14 -1.71 0.00 0.00 0.00 175.76 175.35 2x58 n ASN 114 N 2.06 1.46 0.27 0.00 2.85 -0.82 -2.18 115.26 118.89 2x58 n ASN 114 Ca -0.18 0.82 0.14 0.00 -0.11 0.00 0.00 54.58 55.25 2x58 n ASN 114 Cb 0.55 -1.48 0.78 0.00 1.24 0.00 0.00 39.78 40.87 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 0.52 1.30 -0.70 5.20 0.00 -1.08 -2.32 119.26 122.18 2x58 h ALA 115 Ca -0.50 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.06 2x58 h ALA 115 Cb 1.35 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.97 2x58 h ALA 115 CO 0.52 0.11 0.29 0.36 0.00 0.00 0.00 179.25 180.53 2x58 n LYS 116 N -3.63 2.94 -2.71 0.00 2.85 -1.26 -4.32 118.16 112.03 2x58 n LYS 116 Ca -0.02 -3.07 -0.29 0.00 -1.05 0.00 0.00 58.31 53.88 2x58 n LYS 116 Cb 0.21 -2.11 -0.01 0.00 -0.65 0.00 0.00 35.03 32.47 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 -3.11 3.37 -0.02 0.58 0.00 -0.88 -4.72 121.76 116.98 2x58 s ALA 117 Ca 0.53 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.15 2x58 s ALA 117 Cb 0.44 -2.66 0.01 0.00 0.00 0.00 0.00 23.12 20.91 2x58 s ALA 117 CO 0.10 -0.20 -0.06 1.03 0.00 0.00 0.00 175.76 176.62 2x58 s ARG 118 N -4.34 0.76 0.12 0.00 0.52 -0.46 -1.63 118.95 113.92 2x58 s ARG 118 Ca 0.49 -0.21 0.05 0.00 -0.52 0.00 0.00 55.73 55.54 2x58 s ARG 118 Cb -0.10 -0.74 -0.04 0.00 0.52 0.00 0.00 34.95 34.59 2x58 s ARG 118 CO 0.39 0.05 -0.11 0.14 0.02 0.00 0.00 175.30 175.79 2x58 s VAL 119 N 0.33 1.13 0.00 3.52 -7.23 -0.86 -1.81 120.40 115.48 2x58 s VAL 119 Ca -0.04 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2x58 s VAL 119 Cb -0.09 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.25 2x58 s VAL 119 CO 0.00 -0.60 0.00 0.61 -0.31 0.00 0.00 175.10 174.80 2x58 n GLY 120 N 0.23 -0.54 2.74 2.32 0.00 -1.15 0.32 105.19 109.10 2x58 n GLY 120 Ca -0.13 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 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 3.20 -0.05 0.99 1.43 -1.26 -0.63 118.68 122.36 2x58 s LEU 121 Ca 0.00 -3.03 0.06 0.00 -1.03 0.00 0.00 54.13 50.14 2x58 s LEU 121 Cb 0.00 -1.16 0.27 0.00 0.03 0.00 0.00 46.19 45.33 2x58 s LEU 121 CO 0.00 -0.21 1.06 -0.81 0.23 0.00 0.00 176.35 176.62 2x58 n PRO 122 N 3.02 2.06 -0.15 1.29 -0.04 -1.26 -4.19 135.00 135.72 2x58 n PRO 122 Ca 0.14 -1.05 -0.03 0.00 -0.04 0.00 0.00 63.50 62.52 2x58 n PRO 122 Cb 0.36 -1.53 0.05 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.48 0.09 -1.30 0.54 3.07 -1.89 0.52 114.58 117.09 2x58 h GLU 123 Ca 0.00 -0.01 0.38 0.00 -0.50 0.00 0.00 59.36 59.23 2x58 h GLU 123 Cb 0.74 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.54 2x58 h GLU 123 CO 0.10 0.06 0.90 -0.24 -1.40 0.00 0.00 179.01 178.43 2x58 h VAL 124 N 0.10 0.31 0.00 3.13 3.04 -1.72 0.29 116.25 121.39 2x58 h VAL 124 Ca 0.24 -0.04 -0.04 0.00 -1.01 0.00 0.00 66.70 65.85 2x58 h VAL 124 Cb 0.37 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.83 2x58 h VAL 124 CO -0.42 0.02 -0.21 0.74 -1.01 0.00 0.00 177.57 176.69 2x58 h THR 125 N 0.11 1.05 -0.43 3.17 2.02 -0.23 -1.90 112.91 116.70 2x58 h THR 125 Ca 0.68 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2x58 h THR 125 Cb 2.38 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 70.21 2x58 h THR 125 CO -0.17 0.21 0.00 0.18 0.37 0.00 0.00 175.52 176.11 2x58 n LEU 126 N -4.13 4.57 0.00 2.58 4.77 0.99 -4.87 117.00 120.91 2x58 n LEU 126 Ca -0.02 -2.83 0.00 0.00 -0.03 0.00 0.00 56.01 53.13 2x58 n LEU 126 Cb 0.28 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2x58 n LEU 126 CO 0.36 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 2x58 n GLY 127 N 0.19 0.71 0.00 -0.72 0.00 -0.71 -4.52 105.19 100.13 2x58 n GLY 127 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.51 0.00 -4.08 -0.61 -5.35 -1.11 -4.59 119.36 101.11 2x58 n ILE 128 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.39 2x58 n ILE 128 Cb 0.01 -0.34 -0.09 0.00 -1.74 0.00 0.00 39.64 37.48 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 1.71 -0.53 7.28 0.05 -1.26 -2.63 118.68 123.30 2x58 s LEU 129 Ca 0.00 -1.06 -0.26 0.00 0.05 0.00 0.00 54.13 52.85 2x58 s LEU 129 Cb 0.00 0.51 -0.04 0.00 -2.05 0.00 0.00 46.19 44.61 2x58 s LEU 129 CO 0.00 -0.74 2.09 -2.84 -0.55 0.00 0.00 176.35 174.32 2x58 s PRO 130 N -4.00 2.47 -0.21 1.48 0.02 -1.26 -4.80 135.00 128.71 2x58 s PRO 130 Ca 0.18 1.04 0.15 0.00 0.02 0.00 0.00 61.00 62.40 2x58 s PRO 130 Cb 0.07 -4.46 0.62 0.00 0.02 0.00 0.00 34.50 30.74 2x58 s PRO 130 CO -0.02 -2.88 1.53 0.41 -0.33 0.00 0.00 177.00 175.71 2x58 n GLY 131 N 5.81 3.81 2.39 0.52 0.00 -1.26 -3.42 105.19 113.03 2x58 n GLY 131 Ca 0.28 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.25 4.98 0.00 4.61 0.00 -1.26 -4.49 120.51 124.10 2x58 n ALA 132 Ca 0.25 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.53 2x58 n ALA 132 Cb 1.01 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.52 0.00 -0.41 0.00 5.12 -1.26 -4.64 116.66 114.96 2x58 n ARG 133 Ca 0.39 0.00 0.39 0.00 -1.93 0.00 0.00 57.85 56.69 2x58 n ARG 133 Cb 0.73 -0.92 0.76 0.00 -1.16 0.00 0.00 32.46 31.87 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 0.07 2.00 -0.13 0.00 -1.92 0.50 103.07 103.59 2x58 h GLY 134 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2x58 h GLY 134 CO 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.53 2x58 h THR 135 N 0.02 0.00 0.00 4.70 1.03 -1.90 -1.02 112.91 115.74 2x58 h THR 135 Ca 0.65 -0.70 -0.30 0.00 -0.01 0.00 0.00 66.41 66.05 2x58 h THR 135 Cb 2.56 1.68 -0.05 0.00 -1.07 0.00 0.00 68.15 71.27 2x58 h THR 135 CO -0.03 0.00 -2.13 0.00 -0.01 0.00 0.00 175.52 173.36 2x58 n GLN 136 N -2.72 0.88 0.02 0.00 1.13 0.15 -4.50 117.38 112.34 2x58 n GLN 136 Ca 0.04 0.07 -0.19 0.00 -1.94 0.00 0.00 57.00 54.98 2x58 n GLN 136 Cb 0.45 -1.41 -0.11 0.00 0.11 0.00 0.00 30.24 29.28 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 0.63 -0.28 1.08 3.38 -0.91 -3.34 115.31 115.87 2x58 h LEU 137 Ca -0.44 -0.77 0.01 0.00 0.09 0.00 0.00 57.88 56.77 2x58 h LEU 137 Cb 1.82 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 2x58 h LEU 137 CO -0.03 1.33 0.15 0.25 0.09 0.00 0.00 178.44 180.23 2x58 h LEU 138 N 0.01 0.24 -2.30 1.67 5.85 -1.38 0.72 115.31 120.12 2x58 h LEU 138 Ca -0.10 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2x58 h LEU 138 Cb 1.46 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2x58 h LEU 138 CO 0.15 0.18 0.16 -0.65 -0.34 0.00 0.00 178.44 177.93 2x58 h PRO 139 N 0.31 0.00 0.00 5.25 0.11 -1.80 0.63 132.00 136.51 2x58 h PRO 139 Ca 0.11 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.14 2x58 h PRO 139 Cb 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2x58 h PRO 139 CO -0.06 0.00 -0.38 0.00 -0.21 0.00 0.00 178.00 177.35 2x58 h ARG 140 N 0.00 0.00 0.13 1.05 3.08 -0.99 -1.56 114.38 116.09 2x58 h ARG 140 Ca 0.06 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.78 2x58 h ARG 140 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2x58 h ARG 140 CO -0.00 0.38 -1.76 0.28 -1.07 0.00 0.00 179.97 177.80 2x58 h VAL 141 N 0.00 0.81 0.00 2.04 2.07 -0.42 -3.43 116.25 117.32 2x58 h VAL 141 Ca -0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2x58 h VAL 141 Cb 1.05 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 2x58 h VAL 141 CO 0.05 0.80 0.00 1.33 0.02 0.00 0.00 177.57 179.77 2x58 n VAL 142 N -3.68 0.00 0.00 2.57 0.24 -0.43 -4.82 118.33 112.21 2x58 n VAL 142 Ca -0.29 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 2x58 n VAL 142 Cb 0.99 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 34.37 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 0.36 -0.12 0.07 7.63 0.00 -0.59 -4.44 105.19 108.11 2x58 n GLY 143 Ca 0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 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 1.12 -0.68 1.61 2.07 -1.86 -1.81 116.25 116.71 2x58 h VAL 144 Ca 0.00 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2x58 h VAL 144 Cb 0.00 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2x58 h VAL 144 CO 0.00 0.10 0.27 -0.65 0.02 0.00 0.00 177.57 177.31 2x58 h PRO 145 N -0.03 1.01 -0.10 1.57 0.11 -1.97 -0.77 132.00 131.82 2x58 h PRO 145 Ca 0.02 -0.18 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 2x58 h PRO 145 Cb 0.14 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 2x58 h PRO 145 CO -0.00 0.84 0.03 0.28 -0.21 0.00 0.00 178.00 178.94 2x58 h VAL 146 N 0.96 1.17 -0.53 3.15 2.07 -1.77 -1.68 116.25 119.63 2x58 h VAL 146 Ca 0.23 -0.52 0.11 0.00 0.82 0.00 0.00 66.70 67.33 2x58 h VAL 146 Cb 0.21 1.34 -0.10 0.00 -1.52 0.00 0.00 31.29 31.22 2x58 h VAL 146 CO -0.02 0.15 -0.08 0.00 0.02 0.00 0.00 177.57 177.64 2x58 h ALA 147 N 0.84 0.41 -0.44 1.67 0.00 -0.96 -0.10 119.26 120.68 2x58 h ALA 147 Ca 0.03 0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.22 2x58 h ALA 147 Cb 0.21 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2x58 h ALA 147 CO -0.00 -0.42 -0.10 -0.07 0.00 0.00 0.00 179.25 178.65 2x58 h LEU 148 N 0.04 -0.39 -0.36 0.00 3.38 -1.04 0.57 115.31 117.51 2x58 h LEU 148 Ca 0.26 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 2x58 h LEU 148 Cb 0.40 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2x58 h LEU 148 CO -0.51 -0.14 0.21 -0.78 0.09 0.00 0.00 178.44 177.32 2x58 h ASP 149 N 0.01 0.43 -0.19 -0.43 3.58 -0.38 -1.25 116.42 118.19 2x58 h ASP 149 Ca 0.21 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 2x58 h ASP 149 Cb 0.32 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2x58 h ASP 149 CO -0.45 0.36 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.20 2x58 h LEU 150 N 0.46 0.33 -0.09 2.28 3.38 -0.37 -2.94 115.31 118.36 2x58 h LEU 150 Ca 0.13 -0.32 -0.23 0.00 0.09 0.00 0.00 57.88 57.55 2x58 h LEU 150 Cb 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2x58 h LEU 150 CO -0.02 0.57 -1.02 0.40 0.09 0.00 0.00 178.44 178.46 2x58 h ILE 151 N 0.09 1.53 -0.03 1.22 2.04 -0.89 0.31 117.51 121.78 2x58 h ILE 151 Ca 0.05 -2.90 -0.18 0.00 1.00 0.00 0.00 64.86 62.83 2x58 h ILE 151 Cb 0.40 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2x58 h ILE 151 CO 0.01 0.84 -0.78 0.71 0.00 0.00 0.00 178.15 178.93 2x58 h THR 152 N 0.09 1.44 0.06 -0.27 1.35 -1.32 -3.36 112.91 110.91 2x58 h THR 152 Ca -0.07 -2.36 -0.33 0.00 -0.55 0.00 0.00 66.41 63.10 2x58 h THR 152 Cb 1.71 2.28 -0.03 0.00 -1.73 0.00 0.00 68.15 70.37 2x58 h THR 152 CO 0.16 0.69 -1.88 -1.54 -0.25 0.00 0.00 175.52 172.70 2x58 n SER 153 N -3.75 1.50 -0.40 5.36 3.41 -1.11 -4.84 113.62 113.79 2x58 n SER 153 Ca -0.03 0.30 -0.04 0.00 -0.26 0.00 0.00 58.87 58.83 2x58 n SER 153 Cb 0.74 -0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 2x58 n SER 153 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x58 n GLY 154 N 1.79 0.50 3.79 5.00 0.00 0.10 -4.89 105.19 111.48 2x58 n GLY 154 Ca -0.25 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.12 3.65 0.39 1.61 -2.85 -1.24 -4.20 119.74 113.97 2x58 s LYS 155 Ca 0.00 1.40 -0.12 0.00 -1.00 0.00 0.00 55.97 56.25 2x58 s LYS 155 Cb 0.00 -2.07 -0.07 0.00 -2.06 0.00 0.00 37.83 33.63 2x58 s LYS 155 CO 0.00 -0.57 0.77 0.71 0.10 0.00 0.00 175.35 176.36 2x58 s TYR 156 N -1.99 3.45 0.10 1.78 4.12 -1.26 -4.26 117.35 119.30 2x58 s TYR 156 Ca 0.68 1.09 0.10 0.00 0.02 0.00 0.00 57.07 58.96 2x58 s TYR 156 Cb -0.18 -2.47 -0.04 0.00 -1.52 0.00 0.00 41.96 37.76 2x58 s TYR 156 CO 0.23 -0.07 -0.26 -0.51 0.02 0.00 0.00 175.55 174.97 2x58 s LEU 157 N -3.66 2.28 0.70 -1.29 1.02 0.15 -4.95 118.68 112.93 2x58 s LEU 157 Ca 0.52 -0.70 -0.11 0.00 0.02 0.00 0.00 54.13 53.86 2x58 s LEU 157 Cb -0.10 -1.17 0.01 0.00 0.02 0.00 0.00 46.19 44.95 2x58 s LEU 157 CO 0.28 0.18 1.08 -0.94 0.02 0.00 0.00 176.35 176.97 2x58 s SER 158 N -1.83 5.43 0.19 2.29 1.04 -1.26 -2.03 113.70 117.53 2x58 s SER 158 Ca 0.12 1.29 -0.17 0.00 0.48 0.00 0.00 55.95 57.67 2x58 s SER 158 Cb -0.10 -2.14 0.15 0.00 0.10 0.00 0.00 66.02 64.03 2x58 s SER 158 CO 0.05 -1.37 1.63 0.00 0.98 0.00 0.00 173.24 174.53 2x58 h ALA 159 N -0.67 0.19 -0.48 5.32 0.00 -1.50 -1.90 119.26 120.23 2x58 h ALA 159 Ca -0.45 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2x58 h ALA 159 Cb 1.24 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 2x58 h ALA 159 CO 0.62 -0.53 0.24 0.22 0.00 0.00 0.00 179.25 179.80 2x58 h ASP 160 N -0.08 0.63 1.33 0.00 3.58 -1.88 -1.20 116.42 118.79 2x58 h ASP 160 Ca 0.24 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 2x58 h ASP 160 Cb 0.45 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 2x58 h ASP 160 CO -0.57 0.57 -0.14 1.05 -2.88 0.00 0.00 179.24 177.28 2x58 h GLU 161 N 0.64 0.00 -0.24 0.28 4.11 -1.88 -1.86 114.58 115.62 2x58 h GLU 161 Ca 0.17 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.41 2x58 h GLU 161 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2x58 h GLU 161 CO -0.02 0.14 -0.58 0.00 0.07 0.00 0.00 179.01 178.61 2x58 h ALA 162 N 1.86 0.40 0.28 1.06 0.00 -0.93 -2.85 119.26 119.09 2x58 h ALA 162 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2x58 h ALA 162 Cb 0.84 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2x58 h ALA 162 CO 0.02 0.64 -0.14 1.25 0.00 0.00 0.00 179.25 181.02 2x58 h LEU 163 N 0.59 -0.32 -0.79 0.00 5.85 -0.86 -1.46 115.31 118.31 2x58 h LEU 163 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2x58 h LEU 163 Cb 1.20 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2x58 h LEU 163 CO 0.13 -0.17 0.00 -2.11 -0.34 0.00 0.00 178.44 175.95 2x58 n ARG 164 N -5.22 0.11 -0.00 1.25 1.85 -0.73 -1.68 116.66 112.23 2x58 n ARG 164 Ca -0.10 0.51 0.10 0.00 -1.00 0.00 0.00 57.85 57.36 2x58 n ARG 164 Cb 0.19 -1.79 -0.14 0.00 -1.05 0.00 0.00 32.46 29.67 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 -2.02 0.48 0.00 2.89 7.94 -0.87 -4.97 117.00 120.45 2x58 n LEU 165 Ca 0.00 -0.25 0.00 0.00 -1.11 0.00 0.00 56.01 54.66 2x58 n LEU 165 Cb 0.10 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.05 2x58 n LEU 165 CO 0.11 0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 2x58 n GLY 166 N 1.39 2.25 0.20 -3.96 0.00 -0.67 -4.65 105.19 99.75 2x58 n GLY 166 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 1.20 -2.46 -0.61 2.04 -1.52 -3.42 117.51 112.73 2x58 h ILE 167 Ca 0.00 -0.63 -0.53 0.00 1.00 0.00 0.00 64.86 64.71 2x58 h ILE 167 Cb 0.00 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 2x58 h ILE 167 CO 0.00 0.23 -0.49 -0.76 0.00 0.00 0.00 178.15 177.13 2x58 s LEU 168 N -9.78 4.13 -0.11 1.44 1.43 -1.18 -4.82 118.68 109.79 2x58 s LEU 168 Ca -0.13 0.02 0.18 0.00 -1.03 0.00 0.00 54.13 53.17 2x58 s LEU 168 Cb 0.10 -2.70 -0.27 0.00 0.03 0.00 0.00 46.19 43.36 2x58 s LEU 168 CO 0.76 0.02 0.23 0.47 0.23 0.00 0.00 176.35 178.06 2x58 n ASP 169 N -0.77 0.43 -3.65 2.29 8.00 0.13 -4.53 116.55 118.45 2x58 n ASP 169 Ca -0.08 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.33 2x58 n ASP 169 Cb 0.55 1.39 -0.07 0.00 -0.02 0.00 0.00 41.12 42.97 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 -2.87 -1.75 -0.05 2.24 0.00 -1.10 -5.01 121.76 113.21 2x58 s ALA 170 Ca -0.08 2.22 0.03 0.00 0.00 0.00 0.00 51.96 54.12 2x58 s ALA 170 Cb 0.09 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 2x58 s ALA 170 CO 0.79 -0.35 -0.14 0.08 0.00 0.00 0.00 175.76 176.14 2x58 s VAL 171 N 1.29 3.09 -0.03 0.00 1.01 -1.26 -1.66 120.40 122.83 2x58 s VAL 171 Ca -0.07 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 2x58 s VAL 171 Cb -0.05 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.12 2x58 s VAL 171 CO -0.14 0.59 0.12 0.54 0.00 0.00 0.00 175.10 176.21 2x58 s VAL 172 N -0.67 0.03 -1.07 2.92 0.11 -0.93 -4.93 120.40 115.87 2x58 s VAL 172 Ca 0.10 -0.26 0.25 0.00 -2.93 0.00 0.00 61.98 59.14 2x58 s VAL 172 Cb -0.11 -0.27 0.25 0.00 -1.53 0.00 0.00 36.38 34.72 2x58 s VAL 172 CO 0.01 -0.14 1.83 0.29 -3.33 0.00 0.00 175.10 173.75 2x58 n LYS 173 N 2.46 0.06 -1.41 1.54 5.02 -1.26 -0.48 118.16 124.09 2x58 n LYS 173 Ca -0.16 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2x58 n LYS 173 Cb 0.58 -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 -1.47 1.16 -4.70 4.39 3.41 -1.26 -4.75 113.62 110.40 2x58 n SER 174 Ca 0.07 -0.89 -0.61 0.00 -0.26 0.00 0.00 58.87 57.17 2x58 n SER 174 Cb 0.28 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.64 1.85 0.19 4.04 2.03 -1.26 -4.66 116.55 117.10 2x58 n ASP 175 Ca 0.00 1.08 0.05 0.00 0.52 0.00 0.00 54.79 56.43 2x58 n ASP 175 Cb 0.00 -1.03 0.34 0.00 -0.72 0.00 0.00 41.12 39.71 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 6.65 0.00 -0.25 -0.67 0.13 -1.90 -2.85 132.00 133.11 2x58 h PRO 176 Ca -0.43 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 2x58 h PRO 176 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2x58 h PRO 176 CO 0.98 0.39 -0.55 0.28 -0.23 0.00 0.00 178.00 178.87 2x58 h VAL 177 N 0.00 1.29 0.14 1.56 2.07 -1.90 -1.72 116.25 117.69 2x58 h VAL 177 Ca -0.00 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 65.77 2x58 h VAL 177 Cb 0.86 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 2x58 h VAL 177 CO 0.05 0.56 -0.23 -0.08 0.02 0.00 0.00 177.57 177.90 2x58 h GLU 178 N 0.59 -0.42 -0.46 1.57 4.81 -1.93 -1.85 114.58 116.88 2x58 h GLU 178 Ca 0.01 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.35 2x58 h GLU 178 Cb 1.14 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 2x58 h GLU 178 CO 0.12 -0.28 0.31 1.49 -0.73 0.00 0.00 179.01 179.92 2x58 h GLU 179 N -0.44 0.30 -0.03 1.92 4.57 -1.44 -2.63 114.58 116.83 2x58 h GLU 179 Ca 0.02 -0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 57.97 2x58 h GLU 179 Cb 0.45 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2x58 h GLU 179 CO -0.11 0.20 -0.88 0.00 -1.18 0.00 0.00 179.01 177.04 2x58 h ALA 180 N 1.76 0.41 -0.72 2.92 0.00 -0.83 -1.63 119.26 121.16 2x58 h ALA 180 Ca 0.21 -0.67 0.04 0.00 0.00 0.00 0.00 54.91 54.49 2x58 h ALA 180 Cb 0.43 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2x58 h ALA 180 CO -0.05 0.78 0.44 0.82 0.00 0.00 0.00 179.25 181.25 2x58 h ILE 181 N 0.28 1.07 -0.07 0.00 2.04 -0.98 -0.30 117.51 119.55 2x58 h ILE 181 Ca -0.07 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2x58 h ILE 181 Cb 1.50 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2x58 h ILE 181 CO 0.15 0.16 -0.00 0.11 0.00 0.00 0.00 178.15 178.57 2x58 h LYS 182 N 0.85 0.12 -0.64 2.37 1.57 -1.36 -2.97 116.57 116.52 2x58 h LYS 182 Ca 0.30 -0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.14 2x58 h LYS 182 Cb 0.07 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 2x58 h LYS 182 CO -0.13 0.41 0.25 0.35 -0.57 0.00 0.00 179.45 179.75 2x58 h PHE 183 N -0.18 0.43 -0.95 -1.35 3.57 -1.03 -1.98 116.94 115.45 2x58 h PHE 183 Ca 0.02 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.69 2x58 h PHE 183 Cb 0.35 -0.09 -0.09 0.00 2.79 0.00 0.00 35.95 38.91 2x58 h PHE 183 CO 0.04 0.10 0.57 0.00 -2.23 0.00 0.00 178.31 176.78 2x58 h ALA 184 N 1.44 1.48 -0.64 2.41 0.00 -0.89 -0.83 119.26 122.23 2x58 h ALA 184 Ca 0.33 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2x58 h ALA 184 Cb 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2x58 h ALA 184 CO -0.32 0.06 0.39 1.96 0.00 0.00 0.00 179.25 181.34 2x58 h GLN 185 N 0.82 0.86 -0.00 0.00 1.08 -1.30 -0.33 115.11 116.24 2x58 h GLN 185 Ca 0.51 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.64 2x58 h GLN 185 Cb 0.64 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2x58 h GLN 185 CO -0.32 0.60 -0.02 0.36 -0.95 0.00 0.00 178.83 178.50 2x58 n LYS 186 N -4.41 1.07 0.00 1.46 2.85 -0.33 -3.66 118.16 115.15 2x58 n LYS 186 Ca 0.06 -0.27 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 2x58 n LYS 186 Cb 0.07 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.95 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 -0.73 0.17 -0.17 0.58 -6.64 -1.10 -4.87 119.36 106.61 2x58 n ILE 187 Ca 0.21 -0.28 0.20 0.00 -1.77 0.00 0.00 62.75 61.10 2x58 n ILE 187 Cb 0.20 1.26 0.57 0.00 -1.44 0.00 0.00 39.64 40.24 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 1.14 0.71 -0.01 7.28 2.10 -1.13 -2.70 117.51 124.91 2x58 h ILE 188 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 2x58 h ILE 188 Cb 0.52 0.40 0.00 0.00 -1.09 0.00 0.00 36.82 36.65 2x58 h ILE 188 CO 0.00 0.05 -0.41 0.47 -1.08 0.00 0.00 178.15 177.18 2x58 n ASP 189 N -4.44 1.09 -4.72 2.19 8.00 -1.26 -4.88 116.55 112.54 2x58 n ASP 189 Ca 0.16 -1.05 -0.36 0.00 0.71 0.00 0.00 54.79 54.25 2x58 n ASP 189 Cb 0.67 0.69 0.08 0.00 -0.02 0.00 0.00 41.12 42.54 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 -0.64 0.93 -2.17 -1.24 5.02 -1.02 -4.94 118.16 114.09 2x58 n LYS 190 Ca 0.04 0.38 -0.41 0.00 -2.02 0.00 0.00 58.31 56.30 2x58 n LYS 190 Cb 0.25 -2.50 -0.03 0.00 -0.02 0.00 0.00 35.03 32.73 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 -3.49 4.38 0.26 1.97 0.02 -1.26 -4.93 135.00 131.95 2x58 s PRO 191 Ca 0.81 2.12 0.11 0.00 0.02 0.00 0.00 61.00 64.06 2x58 s PRO 191 Cb -0.36 -3.15 0.30 0.00 0.02 0.00 0.00 34.50 31.31 2x58 s PRO 191 CO 0.42 -0.23 1.58 0.82 -0.33 0.00 0.00 177.00 179.26 2x58 h ILE 192 N 3.47 1.42 -0.73 2.83 2.04 -1.96 -3.38 117.51 121.21 2x58 h ILE 192 Ca -0.46 -2.24 0.12 0.00 1.00 0.00 0.00 64.86 63.28 2x58 h ILE 192 Cb 1.22 2.22 -0.08 0.00 -0.74 0.00 0.00 36.82 39.44 2x58 h ILE 192 CO 0.73 0.63 0.32 -0.08 0.00 0.00 0.00 178.15 179.76 2x58 h GLU 193 N 0.00 0.49 0.00 2.37 4.57 -1.96 0.20 114.58 120.25 2x58 h GLU 193 Ca -0.01 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2x58 h GLU 193 Cb 1.17 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 2x58 h GLU 193 CO 0.08 0.32 0.00 -2.30 -1.18 0.00 0.00 179.01 175.94 2x58 n PRO 194 N -4.95 0.11 0.01 0.92 -0.02 -1.26 -2.22 135.00 127.59 2x58 n PRO 194 Ca 0.13 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 2x58 n PRO 194 Cb 0.36 -1.79 0.12 0.00 -0.02 0.00 0.00 33.50 32.17 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 -2.01 0.07 -2.33 -0.52 5.12 0.71 -4.82 116.66 112.88 2x58 n ARG 195 Ca 0.01 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.50 2x58 n ARG 195 Cb 0.11 -1.53 -0.02 0.00 -1.16 0.00 0.00 32.46 29.86 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 -3.05 3.52 0.33 5.56 0.52 -0.94 -4.61 118.95 120.28 2x58 s ARG 196 Ca 0.09 0.91 0.07 0.00 -0.52 0.00 0.00 55.73 56.27 2x58 s ARG 196 Cb 0.16 -4.05 0.58 0.00 0.52 0.00 0.00 34.95 32.16 2x58 s ARG 196 CO 0.76 -1.63 1.79 0.82 0.02 0.00 0.00 175.30 177.06 2x58 h ILE 197 N 6.48 1.25 0.00 1.52 2.04 -1.87 -3.00 117.51 123.93 2x58 h ILE 197 Ca -0.28 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 2x58 h ILE 197 Cb 1.11 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2x58 h ILE 197 CO 1.09 0.36 -0.13 2.19 0.00 0.00 0.00 178.15 181.66 2x58 h PHE 198 N 0.26 0.00 -0.01 1.37 -5.15 -1.94 -0.19 116.94 111.29 2x58 h PHE 198 Ca 0.04 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.81 2x58 h PHE 198 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.77 2x58 h PHE 198 CO 0.01 0.13 -0.02 0.09 -2.00 0.00 0.00 178.31 176.53 2x58 n ASN 199 N -3.41 0.98 -4.73 -0.68 3.02 -1.13 -4.82 115.26 104.50 2x58 n ASN 199 Ca -0.01 -1.26 -0.39 0.00 -0.03 0.00 0.00 54.58 52.88 2x58 n ASN 199 Cb 0.32 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.44 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 -2.06 4.42 0.73 3.52 1.02 -0.08 -5.06 119.74 122.22 2x58 s LYS 200 Ca 0.39 0.83 -0.11 0.00 0.02 0.00 0.00 55.97 57.11 2x58 s LYS 200 Cb 0.21 -3.42 0.03 0.00 -0.52 0.00 0.00 37.83 34.13 2x58 s LYS 200 CO 0.36 0.14 1.08 -2.14 -0.92 0.00 0.00 175.35 173.87 2x58 s PRO 201 N 0.55 2.64 0.05 -1.68 0.02 -1.26 -4.93 135.00 130.40 2x58 s PRO 201 Ca 0.36 0.76 -0.31 0.00 0.02 0.00 0.00 61.00 61.83 2x58 s PRO 201 Cb -0.18 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 2x58 s PRO 201 CO 0.18 -1.26 1.24 0.08 -0.33 0.00 0.00 177.00 176.90 2x58 s VAL 202 N -3.13 3.95 0.15 3.83 1.01 -1.26 -4.85 120.40 120.09 2x58 s VAL 202 Ca 0.59 1.38 -0.34 0.00 0.00 0.00 0.00 61.98 63.61 2x58 s VAL 202 Cb -0.14 -3.89 -0.16 0.00 0.00 0.00 0.00 36.38 32.20 2x58 s VAL 202 CO 0.54 0.09 1.26 -2.65 0.00 0.00 0.00 175.10 174.34 2x58 n PRO 203 N 4.15 1.28 -2.73 2.72 -0.02 -1.26 -4.99 135.00 134.15 2x58 n PRO 203 Ca 0.10 0.46 -0.22 0.00 -2.02 0.00 0.00 63.50 61.82 2x58 n PRO 203 Cb 0.46 -2.03 0.03 0.00 -0.02 0.00 0.00 33.50 31.94 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 0.22 5.45 -0.10 2.55 1.04 -1.26 -4.75 113.70 116.85 2x58 s SER 204 Ca 0.77 0.11 -0.07 0.00 0.48 0.00 0.00 55.95 57.23 2x58 s SER 204 Cb -0.86 -1.10 0.03 0.00 0.10 0.00 0.00 66.02 64.19 2x58 s SER 204 CO 0.50 -1.01 0.24 -0.76 0.98 0.00 0.00 173.24 173.19 2x58 s LEU 205 N -4.71 0.80 0.21 2.42 1.43 -1.26 -5.05 118.68 112.52 2x58 s LEU 205 Ca 0.54 0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 54.04 2x58 s LEU 205 Cb -0.10 0.79 0.28 0.00 0.03 0.00 0.00 46.19 47.19 2x58 s LEU 205 CO 0.38 -0.12 1.70 -0.65 0.23 0.00 0.00 176.35 177.90 2x58 h PRO 206 N 6.36 0.24 0.00 1.29 0.11 -2.07 -2.03 132.00 135.90 2x58 h PRO 206 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2x58 h PRO 206 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2x58 h PRO 206 CO 0.36 0.16 0.00 0.27 -0.21 0.00 0.00 178.00 178.58 2x58 n ASN 207 N -5.13 0.00 -0.40 -2.05 6.94 -1.26 -4.65 115.26 108.70 2x58 n ASN 207 Ca 0.08 -1.39 -0.09 0.00 -0.02 0.00 0.00 54.58 53.16 2x58 n ASN 207 Cb 0.31 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.65 2x58 n ASN 207 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 2x58 n MET 208 N -0.64 -0.40 -0.32 -3.83 1.56 -0.76 -0.50 117.12 112.22 2x58 n MET 208 Ca 0.05 1.46 0.17 0.00 -0.27 0.00 0.00 57.70 59.11 2x58 n MET 208 Cb 0.02 -2.15 0.36 0.00 2.15 0.00 0.00 33.22 33.61 2x58 n MET 208 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 2x58 h ASP 209 N 0.00 0.41 -0.57 6.12 3.32 -1.87 0.26 116.42 124.09 2x58 h ASP 209 Ca 0.18 0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.34 2x58 h ASP 209 Cb 0.42 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2x58 h ASP 209 CO -0.91 -0.03 0.17 -1.28 -1.72 0.00 0.00 179.24 175.47 2x58 h SER 210 N 0.40 0.84 -0.93 6.45 0.87 -1.16 -2.50 113.55 117.52 2x58 h SER 210 Ca 0.62 -0.21 0.11 0.00 -1.23 0.00 0.00 61.79 61.08 2x58 h SER 210 Cb 1.25 -0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 62.92 2x58 h SER 210 CO -0.55 0.83 0.60 0.58 -0.53 0.00 0.00 176.83 177.76 2x58 h VAL 211 N 0.80 0.93 0.06 2.23 2.07 0.05 -2.02 116.25 120.38 2x58 h VAL 211 Ca 0.18 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2x58 h VAL 211 Cb 0.30 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2x58 h VAL 211 CO -0.00 0.16 -0.03 -0.26 0.02 0.00 0.00 177.57 177.46 2x58 h PHE 212 N 0.89 -0.07 -0.59 1.57 0.04 -1.16 -1.98 116.94 115.64 2x58 h PHE 212 Ca 0.45 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 61.33 2x58 h PHE 212 Cb 0.48 0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 2x58 h PHE 212 CO -0.00 0.52 0.40 0.00 -0.60 0.00 0.00 178.31 178.63 2x58 h ALA 213 N 0.06 2.10 -0.06 2.45 0.00 -1.41 0.10 119.26 122.50 2x58 h ALA 213 Ca -0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 2x58 h ALA 213 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2x58 h ALA 213 CO 0.01 -0.24 -0.85 1.49 0.00 0.00 0.00 179.25 179.66 2x58 h GLU 214 N 0.33 0.54 -0.29 0.00 4.81 -1.37 -1.88 114.58 116.71 2x58 h GLU 214 Ca 0.28 -0.50 -0.17 0.00 -0.13 0.00 0.00 59.36 58.84 2x58 h GLU 214 Cb 0.64 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 2x58 h GLU 214 CO -0.07 1.13 -0.46 0.00 -0.73 0.00 0.00 179.01 178.88 2x58 h ALA 215 N 0.71 0.45 -0.67 2.92 0.00 -0.23 -1.01 119.26 121.43 2x58 h ALA 215 Ca -0.07 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.41 2x58 h ALA 215 Cb 1.47 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2x58 h ALA 215 CO 0.16 0.61 0.39 0.82 0.00 0.00 0.00 179.25 181.22 2x58 h ILE 216 N 0.61 1.02 -0.34 0.00 1.08 -0.93 0.40 117.51 119.34 2x58 h ILE 216 Ca 0.03 -0.25 -0.12 0.00 -0.39 0.00 0.00 64.86 64.13 2x58 h ILE 216 Cb 1.07 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 2x58 h ILE 216 CO 0.11 0.13 -0.27 0.00 -0.69 0.00 0.00 178.15 177.43 2x58 h ALA 217 N 1.32 0.89 -0.63 1.87 0.00 -1.24 -1.96 119.26 119.51 2x58 h ALA 217 Ca 0.29 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2x58 h ALA 217 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2x58 h ALA 217 CO -0.15 0.63 0.06 -0.22 0.00 0.00 0.00 179.25 179.57 2x58 h LYS 218 N 0.61 1.06 0.00 0.00 3.64 -0.51 -2.16 116.57 119.20 2x58 h LYS 218 Ca 0.08 -0.30 -0.17 0.00 -1.27 0.00 0.00 60.65 59.00 2x58 h LYS 218 Cb 0.77 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2x58 h LYS 218 CO 0.06 1.00 -0.79 -0.24 -2.27 0.00 0.00 179.45 177.21 2x58 h VAL 219 N 0.98 1.42 0.00 2.00 3.04 -0.76 -1.61 116.25 121.32 2x58 h VAL 219 Ca 0.19 -2.83 -0.13 0.00 -1.01 0.00 0.00 66.70 62.92 2x58 h VAL 219 Cb 0.48 2.59 -0.02 0.00 -2.01 0.00 0.00 31.29 32.33 2x58 h VAL 219 CO 0.02 0.77 -0.60 0.03 -1.01 0.00 0.00 177.57 176.78 2x58 h ARG 220 N 0.00 0.00 0.06 4.17 3.08 -1.25 -1.86 114.38 118.58 2x58 h ARG 220 Ca -0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 2x58 h ARG 220 Cb 1.53 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.57 2x58 h ARG 220 CO 0.10 0.60 -0.77 -0.22 -1.07 0.00 0.00 179.97 178.62 2x58 h LYS 221 N 0.00 0.12 -0.20 0.04 3.64 -1.24 -3.24 116.57 115.68 2x58 h LYS 221 Ca -0.01 -0.20 -0.20 0.00 -1.27 0.00 0.00 60.65 58.97 2x58 h LYS 221 Cb 1.26 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2x58 h LYS 221 CO 0.08 1.10 -0.68 1.96 -2.27 0.00 0.00 179.45 179.64 2x58 h GLN 222 N -0.70 0.79 -2.24 1.90 4.20 -1.39 -3.35 115.11 114.32 2x58 h GLN 222 Ca -0.17 -0.58 -0.58 0.00 0.06 0.00 0.00 58.65 57.38 2x58 h GLN 222 Cb 1.38 0.10 -0.42 0.00 0.30 0.00 0.00 27.48 28.84 2x58 h GLN 222 CO 0.00 1.20 -0.71 0.66 -0.67 0.00 0.00 178.83 179.32 2x58 n TYR 223 N -3.96 3.48 -1.64 2.96 4.01 -0.70 -5.07 117.16 116.23 2x58 n TYR 223 Ca -0.06 -3.99 -0.47 0.00 -0.16 0.00 0.00 57.90 53.22 2x58 n TYR 223 Cb 0.69 -0.49 -0.05 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.01 2.11 -0.23 -0.72 -0.04 -1.22 -1.74 135.00 133.17 2x58 n PRO 224 Ca 0.30 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 2x58 n PRO 224 Cb 0.43 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 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 4.83 1.56 3.74 0.55 0.00 -1.26 -5.03 105.19 109.57 2x58 n GLY 225 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.88 5.01 0.06 1.61 0.11 -0.71 -4.98 120.40 118.61 2x58 s VAL 226 Ca 0.00 1.27 -0.19 0.00 -2.93 0.00 0.00 61.98 60.14 2x58 s VAL 226 Cb 0.00 -3.95 -0.12 0.00 -1.53 0.00 0.00 36.38 30.77 2x58 s VAL 226 CO 0.00 0.34 1.38 -0.07 -3.33 0.00 0.00 175.10 173.42 2x58 h LEU 227 N 6.27 0.48 -0.24 2.54 3.38 -1.96 -3.38 115.31 122.40 2x58 h LEU 227 Ca -0.43 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.14 2x58 h LEU 227 Cb 1.20 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 2x58 h LEU 227 CO 0.73 0.84 -0.11 0.00 0.09 0.00 0.00 178.44 179.99 2x58 h ALA 228 N 0.66 0.08 -0.47 1.53 0.00 -1.91 -1.26 119.26 117.89 2x58 h ALA 228 Ca 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2x58 h ALA 228 Cb 0.69 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2x58 h ALA 228 CO 0.04 -0.53 0.24 -1.35 0.00 0.00 0.00 179.25 177.66 2x58 h PRO 229 N -0.08 0.67 -0.35 0.00 0.11 -1.89 0.20 132.00 130.66 2x58 h PRO 229 Ca 0.13 -0.09 0.02 0.00 0.11 0.00 0.00 66.00 66.17 2x58 h PRO 229 Cb 0.27 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 2x58 h PRO 229 CO -0.29 0.55 0.19 1.49 -0.21 0.00 0.00 178.00 179.73 2x58 h GLU 230 N 0.62 0.39 -0.40 1.05 4.81 -1.62 -1.91 114.58 117.51 2x58 h GLU 230 Ca 0.16 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2x58 h GLU 230 Cb 0.09 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2x58 h GLU 230 CO -0.02 0.26 0.05 1.15 -0.73 0.00 0.00 179.01 179.71 2x58 h THR 231 N 0.40 1.20 -0.51 0.32 2.02 -0.87 0.54 112.91 116.01 2x58 h THR 231 Ca 0.14 -0.77 0.10 0.00 0.77 0.00 0.00 66.41 66.65 2x58 h THR 231 Cb 0.02 0.84 -0.10 0.00 -1.74 0.00 0.00 68.15 67.18 2x58 h THR 231 CO -0.08 0.27 -0.14 0.00 0.37 0.00 0.00 175.52 175.95 2x58 h VAL 233 N -0.02 0.83 -0.08 0.00 2.07 -0.18 -1.74 116.25 117.14 2x58 h VAL 233 Ca 0.24 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.63 2x58 h VAL 233 Cb 0.39 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2x58 h VAL 233 CO -0.53 0.03 -0.31 0.03 0.02 0.00 0.00 177.57 176.81 2x58 h ARG 234 N 0.16 0.15 -0.49 1.57 2.47 -0.91 0.19 114.38 117.51 2x58 h ARG 234 Ca 0.15 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.73 2x58 h ARG 234 Cb 0.17 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 2x58 h ARG 234 CO -0.21 0.45 -0.05 1.03 0.56 0.00 0.00 179.97 181.75 2x58 h SER 235 N 0.13 0.84 -0.18 7.04 0.87 -0.46 -2.25 113.55 119.55 2x58 h SER 235 Ca 0.02 -0.24 -0.19 0.00 -1.23 0.00 0.00 61.79 60.15 2x58 h SER 235 Cb 0.61 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2x58 h SER 235 CO 0.04 0.94 -0.63 0.40 -0.53 0.00 0.00 176.83 177.05 2x58 h ILE 236 N 0.79 1.28 -0.98 2.23 2.04 -0.54 -2.82 117.51 119.52 2x58 h ILE 236 Ca 0.14 -1.83 0.16 0.00 1.00 0.00 0.00 64.86 64.33 2x58 h ILE 236 Cb 0.55 1.77 -0.09 0.00 -0.74 0.00 0.00 36.82 38.31 2x58 h ILE 236 CO 0.03 0.59 0.61 -0.61 0.00 0.00 0.00 178.15 178.77 2x58 h GLN 237 N 0.59 0.80 0.00 2.37 4.15 -0.41 -0.58 115.11 122.03 2x58 h GLN 237 Ca -0.01 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2x58 h GLN 237 Cb 1.23 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.74 2x58 h GLN 237 CO 0.13 0.53 0.00 0.00 -1.93 0.00 0.00 178.83 177.56 2x58 h ALA 238 N 1.59 1.00 0.00 3.38 0.00 -1.14 -1.50 119.26 122.60 2x58 h ALA 238 Ca 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2x58 h ALA 238 Cb 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2x58 h ALA 238 CO -0.29 0.00 -0.29 0.66 0.00 0.00 0.00 179.25 179.33 2x58 h SER 239 N 0.00 0.00 0.23 0.00 4.64 -1.20 -2.99 113.55 114.23 2x58 h SER 239 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 2x58 h SER 239 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2x58 h SER 239 CO 0.00 0.02 -1.81 0.58 -0.87 0.00 0.00 176.83 174.76 2x58 h VAL 240 N 0.00 0.85 -0.06 0.95 2.07 -1.37 -3.38 116.25 115.31 2x58 h VAL 240 Ca -0.00 -2.50 -0.00 0.00 0.82 0.00 0.00 66.70 65.01 2x58 h VAL 240 Cb 1.02 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 33.44 2x58 h VAL 240 CO 0.00 0.85 0.02 0.11 0.02 0.00 0.00 177.57 178.57 2x58 h LYS 241 N 0.08 0.09 -5.16 1.57 1.57 -1.51 -3.48 116.57 109.73 2x58 h LYS 241 Ca -0.35 -0.02 -0.35 0.00 -1.87 0.00 0.00 60.65 58.05 2x58 h LYS 241 Cb 2.06 -0.01 -0.16 0.00 0.08 0.00 0.00 32.23 34.20 2x58 h LYS 241 CO 0.14 0.23 -0.73 -1.01 -0.57 0.00 0.00 179.45 177.51 2x58 s HIS 242 N -5.51 1.30 1.13 -1.35 3.76 -1.13 -5.12 115.29 108.36 2x58 s HIS 242 Ca -0.14 -0.68 -0.15 0.00 -0.15 0.00 0.00 55.06 53.94 2x58 s HIS 242 Cb 0.05 -0.66 0.21 0.00 1.11 0.00 0.00 32.58 33.29 2x58 s HIS 242 CO 0.68 0.11 0.65 -0.35 -0.85 0.00 0.00 174.74 174.97 2x58 n PRO 243 N 0.06 -1.94 -0.20 8.40 -0.04 -1.26 -4.60 135.00 135.42 2x58 n PRO 243 Ca -0.12 -0.54 -0.08 0.00 -0.04 0.00 0.00 63.50 62.72 2x58 n PRO 243 Cb 0.59 -2.00 0.02 0.00 -0.04 0.00 0.00 33.50 32.07 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 -2.37 0.94 0.00 0.54 5.03 -1.93 -1.73 116.97 117.44 2x58 h TYR 244 Ca -0.57 -0.11 -0.01 0.00 2.58 0.00 0.00 58.73 60.61 2x58 h TYR 244 Cb 1.34 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 39.35 2x58 h TYR 244 CO 0.25 0.81 -0.07 0.93 -1.32 0.00 0.00 178.16 178.76 2x58 h GLU 245 N 0.79 0.00 0.00 1.82 3.07 -1.97 0.41 114.58 118.71 2x58 h GLU 245 Ca 0.17 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.98 2x58 h GLU 245 Cb 0.35 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2x58 h GLU 245 CO 0.00 0.07 -0.43 0.28 -1.40 0.00 0.00 179.01 177.53 2x58 h VAL 246 N 0.00 0.76 -1.00 3.13 2.07 -1.68 -3.29 116.25 116.24 2x58 h VAL 246 Ca -0.00 -1.69 0.20 0.00 0.82 0.00 0.00 66.70 66.03 2x58 h VAL 246 Cb 0.16 1.55 -0.10 0.00 -1.52 0.00 0.00 31.29 31.39 2x58 h VAL 246 CO 0.01 0.26 0.62 1.23 0.02 0.00 0.00 177.57 179.70 2x58 h GLY 247 N -1.00 1.61 -0.06 2.17 0.00 -0.99 -0.72 103.07 104.08 2x58 h GLY 247 Ca -0.09 -0.32 0.22 0.00 0.00 0.00 0.00 47.33 47.15 2x58 h GLY 247 CO -0.05 -0.08 0.57 -2.22 0.00 0.00 0.00 176.54 174.76 2x58 h ILE 248 N 0.66 0.58 0.06 2.60 1.08 -1.04 -0.37 117.51 121.08 2x58 h ILE 248 Ca 0.57 -0.21 -0.24 0.00 -0.39 0.00 0.00 64.86 64.59 2x58 h ILE 248 Cb 1.03 -0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.69 2x58 h ILE 248 CO -0.35 0.11 -1.06 0.11 -0.69 0.00 0.00 178.15 176.27 2x58 h LYS 249 N 0.61 0.25 -0.03 2.37 1.57 -1.20 -2.46 116.57 117.68 2x58 h LYS 249 Ca 0.61 -0.34 -0.20 0.00 -1.87 0.00 0.00 60.65 58.86 2x58 h LYS 249 Cb 1.10 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 2x58 h LYS 249 CO -0.45 1.10 -0.82 1.49 -0.57 0.00 0.00 179.45 180.20 2x58 h GLU 250 N 0.10 0.34 -0.15 3.15 4.57 -1.05 -0.53 114.58 121.02 2x58 h GLU 250 Ca -0.09 -0.32 -0.14 0.00 -1.18 0.00 0.00 59.36 57.64 2x58 h GLU 250 Cb 1.75 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 30.41 2x58 h GLU 250 CO 0.17 0.99 -0.50 1.49 -1.18 0.00 0.00 179.01 179.98 2x58 h GLU 251 N 0.21 0.39 -0.06 1.92 4.81 -1.12 -1.84 114.58 118.89 2x58 h GLU 251 Ca -0.05 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 2x58 h GLU 251 Cb 1.42 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 2x58 h GLU 251 CO 0.14 0.81 0.01 1.49 -0.73 0.00 0.00 179.01 180.72 2x58 h GLU 252 N 0.31 0.09 -0.35 1.92 4.81 -1.11 0.09 114.58 120.33 2x58 h GLU 252 Ca 0.01 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2x58 h GLU 252 Cb 0.99 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.30 2x58 h GLU 252 CO 0.09 0.31 -0.03 0.87 -0.73 0.00 0.00 179.01 179.52 2x58 h LYS 253 N -0.14 0.06 -0.24 1.92 1.57 -1.06 -2.32 116.57 116.35 2x58 h LYS 253 Ca 0.02 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 2x58 h LYS 253 Cb 0.27 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2x58 h LYS 253 CO 0.00 0.04 -0.51 -0.07 -0.57 0.00 0.00 179.45 178.34 2x58 h LEU 254 N 0.06 0.73 -0.12 2.94 3.38 -1.15 -1.99 115.31 119.17 2x58 h LEU 254 Ca 0.17 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2x58 h LEU 254 Cb 0.25 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 2x58 h LEU 254 CO -0.32 1.11 -0.24 0.15 0.09 0.00 0.00 178.44 179.23 2x58 h PHE 255 N 0.52 -0.64 -0.46 1.13 3.57 -0.73 -0.50 116.94 119.84 2x58 h PHE 255 Ca 0.02 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 2x58 h PHE 255 Cb 1.07 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 2x58 h PHE 255 CO 0.05 -0.32 -0.22 0.52 -2.23 0.00 0.00 178.31 176.11 2x58 h MET 256 N -0.31 0.94 0.17 1.11 2.86 -1.13 0.29 114.93 118.85 2x58 h MET 256 Ca 0.10 -0.40 0.02 0.00 -2.06 0.00 0.00 59.70 57.36 2x58 h MET 256 Cb 0.45 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2x58 h MET 256 CO -0.30 1.06 -0.37 -0.92 1.06 0.00 0.00 176.91 177.44 2x58 h TYR 257 N 0.81 -1.02 -0.44 -0.22 5.03 -1.05 -1.26 116.97 118.82 2x58 h TYR 257 Ca 0.11 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.50 2x58 h TYR 257 Cb 0.78 0.43 -0.05 0.00 1.55 0.00 0.00 36.73 39.44 2x58 h TYR 257 CO 0.05 -0.48 0.13 -0.07 -1.32 0.00 0.00 178.16 176.46 2x58 h LEU 258 N -0.63 0.10 -1.49 2.82 4.07 -0.53 -2.74 115.31 116.91 2x58 h LEU 258 Ca 0.02 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 2x58 h LEU 258 Cb 0.64 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 2x58 h LEU 258 CO -0.19 0.09 0.18 -0.09 -1.08 0.00 0.00 178.44 177.35 2x58 h ARG 259 N 0.28 0.52 0.00 1.13 2.43 0.07 0.12 114.38 118.93 2x58 h ARG 259 Ca 0.21 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2x58 h ARG 259 Cb 0.23 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2x58 h ARG 259 CO -0.24 0.41 0.00 0.00 -1.51 0.00 0.00 179.97 178.63 2x58 h ALA 260 N 1.67 1.00 -2.68 2.80 0.00 -0.95 -3.39 119.26 117.72 2x58 h ALA 260 Ca 0.13 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.53 2x58 h ALA 260 Cb 0.06 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.94 2x58 h ALA 260 CO -0.02 0.00 0.45 -1.54 0.00 0.00 0.00 179.25 178.14 2x58 s SER 261 N -5.50 5.55 0.20 0.00 1.04 0.03 -4.94 113.70 110.09 2x58 s SER 261 Ca 0.08 2.25 -0.14 0.00 0.48 0.00 0.00 55.95 58.62 2x58 s SER 261 Cb 0.08 -2.59 0.23 0.00 0.10 0.00 0.00 66.02 63.84 2x58 s SER 261 CO 0.63 -1.34 1.64 1.23 0.98 0.00 0.00 173.24 176.37 2x58 h GLY 262 N 1.10 0.47 1.87 7.32 0.00 -1.93 -2.10 103.07 109.79 2x58 h GLY 262 Ca -0.50 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2x58 h GLY 262 CO 0.56 -0.22 0.05 1.46 0.00 0.00 0.00 176.54 178.39 2x58 h GLN 263 N 0.02 0.17 -0.40 4.80 4.20 -1.92 -1.00 115.11 120.99 2x58 h GLN 263 Ca 0.29 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.89 2x58 h GLN 263 Cb 0.45 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2x58 h GLN 263 CO -0.60 0.15 -0.14 0.00 -0.67 0.00 0.00 178.83 177.57 2x58 h ALA 264 N 1.88 1.02 -0.44 3.87 0.00 -1.63 -0.09 119.26 123.88 2x58 h ALA 264 Ca 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2x58 h ALA 264 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2x58 h ALA 264 CO -0.01 0.59 0.15 -0.22 0.00 0.00 0.00 179.25 179.77 2x58 h LYS 265 N 0.65 0.67 0.17 0.00 3.64 -0.99 -1.67 116.57 119.04 2x58 h LYS 265 Ca 0.11 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2x58 h LYS 265 Cb 0.60 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2x58 h LYS 265 CO 0.04 0.64 -0.08 0.00 -2.27 0.00 0.00 179.45 177.78 2x58 h ALA 266 N 1.00 -0.23 -0.51 5.00 0.00 -1.07 -0.81 119.26 122.64 2x58 h ALA 266 Ca 0.14 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2x58 h ALA 266 Cb 0.23 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2x58 h ALA 266 CO -0.01 -0.38 0.34 -0.07 0.00 0.00 0.00 179.25 179.13 2x58 h LEU 267 N -0.72 0.44 -0.13 0.00 3.38 -1.07 0.74 115.31 117.96 2x58 h LEU 267 Ca -0.02 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2x58 h LEU 267 Cb 0.50 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2x58 h LEU 267 CO 0.04 0.29 -0.22 1.56 0.09 0.00 0.00 178.44 180.20 2x58 h GLN 268 N 0.51 0.37 -0.30 1.13 4.20 -1.23 -2.32 115.11 117.46 2x58 h GLN 268 Ca 0.22 -0.23 0.07 0.00 0.06 0.00 0.00 58.65 58.76 2x58 h GLN 268 Cb 0.22 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 2x58 h GLN 268 CO -0.06 0.82 -0.20 -0.92 -0.67 0.00 0.00 178.83 177.80 2x58 h TYR 269 N -0.04 -0.53 -0.52 2.96 3.20 0.49 -2.19 116.97 120.35 2x58 h TYR 269 Ca 0.01 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.02 2x58 h TYR 269 Cb 0.80 0.28 -0.10 0.00 1.54 0.00 0.00 36.73 39.25 2x58 h TYR 269 CO 0.10 -0.28 -0.13 0.00 -1.64 0.00 0.00 178.16 176.21 2x58 h ALA 270 N 0.98 0.34 -0.49 1.82 0.00 0.66 0.70 119.26 123.27 2x58 h ALA 270 Ca 0.16 0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.37 2x58 h ALA 270 Cb 0.42 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 2x58 h ALA 270 CO -0.41 -0.44 -0.12 0.35 0.00 0.00 0.00 179.25 178.63 2x58 h PHE 271 N -0.00 -0.26 0.00 0.00 3.04 -0.86 -1.15 116.94 117.72 2x58 h PHE 271 Ca 0.25 0.04 -0.10 0.00 3.98 0.00 0.00 57.97 62.14 2x58 h PHE 271 Cb 0.38 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.06 2x58 h PHE 271 CO -0.44 -0.21 -0.46 0.74 -2.02 0.00 0.00 178.31 175.92 2x58 h PHE 272 N 0.00 0.00 -0.66 0.41 0.04 -0.68 -2.54 116.94 113.51 2x58 h PHE 272 Ca 0.24 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.96 2x58 h PHE 272 Cb 0.36 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 2x58 h PHE 272 CO -0.42 0.46 0.24 0.00 -0.60 0.00 0.00 178.31 178.00 2x58 h ALA 273 N 1.54 0.86 -0.01 2.45 0.00 0.24 -2.21 119.26 122.12 2x58 h ALA 273 Ca -0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2x58 h ALA 273 Cb 1.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2x58 h ALA 273 CO 0.06 0.50 -0.52 0.93 0.00 0.00 0.00 179.25 180.22 2x58 h GLU 274 N 0.94 0.02 -0.64 0.00 5.08 -1.13 -1.27 114.58 117.58 2x58 h GLU 274 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2x58 h GLU 274 Cb 0.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2x58 h GLU 274 CO -0.01 0.53 0.41 0.87 -1.00 0.00 0.00 179.01 179.81 2x58 h LYS 275 N 0.02 0.85 0.00 2.33 1.79 -1.13 -2.85 116.57 117.58 2x58 h LYS 275 Ca -0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2x58 h LYS 275 Cb 0.92 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2x58 h LYS 275 CO 0.07 0.58 0.00 0.66 -1.08 0.00 0.00 179.45 179.68 2x58 h SER 276 N 0.88 0.00 -0.26 0.86 4.64 -0.62 -3.17 113.55 115.87 2x58 h SER 276 Ca 0.23 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.63 2x58 h SER 276 Cb -0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 2x58 h SER 276 CO -0.05 0.00 0.20 0.00 -0.87 0.00 0.00 176.83 176.11 2x58 h ALA 277 N 2.27 2.17 -0.40 5.18 0.00 -1.27 -1.45 119.26 125.76 2x58 h ALA 277 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2x58 h ALA 277 Cb 0.77 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2x58 h ALA 277 CO 0.00 -0.33 0.27 -0.91 0.00 0.00 0.00 179.25 178.27 2x58 h ASN 278 N 0.00 0.31 -2.99 0.00 4.21 -1.73 -3.36 115.58 112.01 2x58 h ASN 278 Ca 0.12 -0.00 -0.81 0.00 1.21 0.00 0.00 56.30 56.83 2x58 h ASN 278 Cb 0.52 -0.07 -0.28 0.00 -1.12 0.00 0.00 38.32 37.37 2x58 h ASN 278 CO -0.00 0.21 0.73 0.29 -1.29 0.00 0.00 177.43 177.36 2x58 n LYS 279 N -4.48 4.34 -2.04 0.81 5.02 -0.55 -4.83 118.16 116.44 2x58 n LYS 279 Ca 0.05 -4.55 -0.28 0.00 -2.02 0.00 0.00 58.31 51.51 2x58 n LYS 279 Cb 0.21 -2.51 0.11 0.00 -0.02 0.00 0.00 35.03 32.81 2x58 n LYS 279 CO 0.00 0.00 0.00 1.67 -0.52 0.00 0.00 177.40 178.55 2x58 s TRP 280 N -2.60 2.56 0.04 2.13 1.48 -1.26 -4.94 118.94 116.35 2x58 s TRP 280 Ca 0.31 0.50 -0.28 0.00 -1.06 0.00 0.00 56.10 55.58 2x58 s TRP 280 Cb 0.03 -3.52 0.09 0.00 -1.16 0.00 0.00 33.47 28.91 2x58 s TRP 280 CO 0.08 -1.86 0.92 -1.54 -4.06 0.00 0.00 176.95 170.49 2x58 s SER 281 N -4.64 -0.31 0.04 -2.66 1.04 -1.26 -2.94 113.70 102.97 2x58 s SER 281 Ca 0.64 -0.11 0.08 0.00 0.48 0.00 0.00 55.95 57.04 2x58 s SER 281 Cb -0.09 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 2x58 s SER 281 CO 0.48 -0.69 -0.22 0.42 0.98 0.00 0.00 173.24 174.21 2x58 s THR 282 N -3.15 1.78 0.18 2.02 -4.23 -0.68 -4.92 115.64 106.64 2x58 s THR 282 Ca 0.07 -1.23 -0.06 0.00 -1.18 0.00 0.00 61.69 59.29 2x58 s THR 282 Cb -0.01 -1.54 0.28 0.00 1.34 0.00 0.00 72.50 72.57 2x58 s THR 282 CO -0.06 0.26 1.01 -2.65 -0.54 0.00 0.00 174.62 172.64 2x58 n PRO 283 N 1.87 -0.07 -0.33 3.99 -0.02 -1.26 -0.10 135.00 139.08 2x58 n PRO 283 Ca -0.17 1.01 0.22 0.00 -2.02 0.00 0.00 63.50 62.53 2x58 n PRO 283 Cb 0.53 -1.50 0.43 0.00 -0.02 0.00 0.00 33.50 32.94 2x58 n PRO 283 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2x58 h SER 284 N 0.00 0.34 0.00 2.55 4.64 -1.98 -3.45 113.55 115.65 2x58 h SER 284 Ca 0.30 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2x58 h SER 284 Cb 0.46 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2x58 h SER 284 CO -0.66 -0.18 0.00 0.61 -0.87 0.00 0.00 176.83 175.73 2x58 n GLY 285 N -1.32 0.82 3.82 -0.77 0.00 0.85 -5.14 105.19 103.46 2x58 n GLY 285 Ca 0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.64 2.82 -0.13 4.61 0.00 -1.24 -4.86 121.76 121.32 2x58 s ALA 286 Ca 0.00 0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.92 2x58 s ALA 286 Cb 0.00 -3.18 0.07 0.00 0.00 0.00 0.00 23.12 20.00 2x58 s ALA 286 CO 0.00 -0.78 0.67 0.45 0.00 0.00 0.00 175.76 176.10 2x58 s SER 287 N -3.18 -0.67 0.56 0.00 0.15 -1.26 -1.69 113.70 107.61 2x58 s SER 287 Ca 0.61 0.95 0.32 0.00 0.70 0.00 0.00 55.95 58.53 2x58 s SER 287 Cb -0.14 0.86 1.48 0.00 -1.71 0.00 0.00 66.02 66.51 2x58 s SER 287 CO 0.41 -0.47 1.84 4.11 1.20 0.00 0.00 173.24 180.33 2x58 h TRP 288 N 3.79 0.00 0.00 3.44 5.08 -1.85 -1.94 115.95 124.46 2x58 h TRP 288 Ca -0.28 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.62 2x58 h TRP 288 Cb 1.15 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.30 2x58 h TRP 288 CO 0.39 0.00 -0.35 0.87 -1.28 0.00 0.00 178.44 178.07 2x58 h LYS 289 N 0.00 0.00 0.00 0.12 1.57 -1.95 -3.34 116.57 112.97 2x58 h LYS 289 Ca 0.42 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.09 2x58 h LYS 289 Cb 1.82 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.89 2x58 h LYS 289 CO -0.00 0.35 -0.83 0.25 -0.57 0.00 0.00 179.45 178.64 2x58 n THR 290 N -4.08 0.74 -4.20 -0.16 -2.24 -0.74 -5.06 114.28 98.53 2x58 n THR 290 Ca -0.02 -1.72 -0.17 0.00 -2.27 0.00 0.00 64.05 59.87 2x58 n THR 290 Cb 0.39 0.56 -0.12 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.09 0.94 -0.07 6.98 0.00 -1.15 -4.86 121.76 122.51 2x58 s ALA 291 Ca 0.34 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.54 2x58 s ALA 291 Cb 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 2x58 s ALA 291 CO -0.13 0.13 -0.21 0.45 0.00 0.00 0.00 175.76 176.00 2x58 s SER 292 N -1.33 2.63 0.28 0.00 0.15 -1.26 -4.97 113.70 109.21 2x58 s SER 292 Ca -0.03 -0.45 -0.28 0.00 0.70 0.00 0.00 55.95 55.89 2x58 s SER 292 Cb -0.08 -0.96 -0.09 0.00 -1.71 0.00 0.00 66.02 63.17 2x58 s SER 292 CO 0.01 0.16 0.96 0.00 1.20 0.00 0.00 173.24 175.57 2x58 s ALA 293 N 0.19 3.28 0.24 5.45 0.00 -1.26 -4.41 121.76 125.24 2x58 s ALA 293 Ca -0.10 0.61 -0.18 0.00 0.00 0.00 0.00 51.96 52.29 2x58 s ALA 293 Cb -0.15 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 2x58 s ALA 293 CO 0.05 0.14 0.70 -0.65 0.00 0.00 0.00 175.76 176.01 2x58 s GLN 294 N -1.61 4.15 0.54 0.00 -1.52 -1.26 -4.91 119.66 115.05 2x58 s GLN 294 Ca 0.46 0.77 -0.21 0.00 -1.95 0.00 0.00 55.36 54.43 2x58 s GLN 294 Cb -0.23 -2.78 -0.05 0.00 -0.22 0.00 0.00 33.01 29.73 2x58 s GLN 294 CO 0.29 0.35 1.23 -2.14 -0.25 0.00 0.00 175.29 174.77 2x58 s PRO 295 N -2.22 3.23 -0.07 2.91 0.02 -1.26 -4.81 135.00 132.80 2x58 s PRO 295 Ca 0.45 1.90 -0.03 0.00 0.02 0.00 0.00 61.00 63.35 2x58 s PRO 295 Cb -0.15 -2.14 0.04 0.00 0.02 0.00 0.00 34.50 32.27 2x58 s PRO 295 CO 0.20 -1.02 0.10 0.08 -0.33 0.00 0.00 177.00 176.03 2x58 s VAL 296 N -1.52 -0.16 0.00 3.83 1.01 -1.26 -5.02 120.40 117.29 2x58 s VAL 296 Ca 0.72 0.35 0.00 0.00 0.00 0.00 0.00 61.98 63.05 2x58 s VAL 296 Cb -0.32 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 35.82 2x58 s VAL 296 CO 0.37 0.13 0.00 -1.54 0.00 0.00 0.00 175.10 174.05 2x58 n SER 297 N 5.31 3.76 -4.03 3.32 3.41 -1.26 -5.02 113.62 119.11 2x58 n SER 297 Ca -0.04 -0.09 -0.25 0.00 -0.26 0.00 0.00 58.87 58.23 2x58 n SER 297 Cb 0.50 0.93 -0.17 0.00 -0.26 0.00 0.00 64.21 65.22 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 -1.68 1.80 -0.03 4.04 1.04 -1.26 -0.44 113.70 117.17 2x58 s SER 298 Ca 0.00 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.15 2x58 s SER 298 Cb 0.00 -0.83 0.01 0.00 0.10 0.00 0.00 66.02 65.30 2x58 s SER 298 CO 0.00 0.04 -0.07 -0.69 0.98 0.00 0.00 173.24 173.49 2x58 s VAL 299 N 0.64 0.67 -0.20 5.02 1.01 0.26 -1.65 120.40 126.15 2x58 s VAL 299 Ca -0.14 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2x58 s VAL 299 Cb -0.16 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2x58 s VAL 299 CO 0.04 0.22 0.10 -0.83 0.00 0.00 0.00 175.10 174.63 2x58 s GLY 300 N 0.32 1.95 -0.39 4.51 0.00 0.13 -1.67 107.32 112.18 2x58 s GLY 300 Ca -0.05 -0.76 -0.10 0.00 0.00 0.00 0.00 44.72 43.81 2x58 s GLY 300 CO 0.00 0.15 0.22 0.14 0.00 0.00 0.00 173.10 173.60 2x58 s VAL 301 N 0.51 4.42 -0.38 1.40 1.01 -0.61 0.09 120.40 126.84 2x58 s VAL 301 Ca 0.05 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 2x58 s VAL 301 Cb -0.12 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.72 2x58 s VAL 301 CO 0.00 -0.31 0.32 -0.22 0.00 0.00 0.00 175.10 174.89 2x58 s LEU 302 N 1.51 4.79 0.00 3.92 2.96 -0.13 -0.95 118.68 130.77 2x58 s LEU 302 Ca 0.02 -0.62 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 2x58 s LEU 302 Cb -0.20 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.25 2x58 s LEU 302 CO 0.05 -0.40 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 2x58 n GLY 303 N 5.10 1.77 2.71 7.98 0.00 0.15 0.11 105.19 123.01 2x58 n GLY 303 Ca -0.10 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 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 4.65 0.00 0.99 4.77 -1.26 -4.22 117.00 121.93 2x58 n LEU 304 Ca 0.00 -5.44 0.00 0.00 -0.03 0.00 0.00 56.01 50.54 2x58 n LEU 304 Cb 0.00 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2x58 n LEU 304 CO 0.00 2.29 0.00 0.61 -1.33 0.00 0.00 177.39 178.96 2x58 n GLY 305 N -0.37 -1.38 0.27 -0.72 0.00 -1.26 -4.58 105.19 97.15 2x58 n GLY 305 Ca 0.35 -1.33 -0.08 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.20 1.27 0.05 2.61 1.35 -1.95 -2.53 112.91 113.51 2x58 h THR 306 Ca 0.00 -1.31 -0.00 0.00 -0.55 0.00 0.00 66.41 64.54 2x58 h THR 306 Cb 0.00 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2x58 h THR 306 CO 0.00 0.44 -0.02 0.24 -0.25 0.00 0.00 175.52 175.93 2x58 h MET 307 N 0.72 -0.06 -0.95 4.72 2.86 -1.92 -3.22 114.93 117.08 2x58 h MET 307 Ca 0.10 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.97 2x58 h MET 307 Cb 0.72 0.01 -0.12 0.00 0.06 0.00 0.00 31.60 32.27 2x58 h MET 307 CO 0.06 0.50 0.51 0.78 1.06 0.00 0.00 176.91 179.82 2x58 h GLY 308 N -0.94 1.73 0.15 8.32 0.00 -1.73 -0.84 103.07 109.76 2x58 h GLY 308 Ca -0.01 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.12 2x58 h GLY 308 CO 0.01 -0.23 -0.27 3.21 0.00 0.00 0.00 176.54 179.26 2x58 h ARG 309 N 0.53 -0.29 -0.32 4.80 3.08 -1.51 -1.19 114.38 119.47 2x58 h ARG 309 Ca 0.60 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.62 2x58 h ARG 309 Cb 1.10 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2x58 h ARG 309 CO -0.48 -0.20 0.03 0.78 -1.07 0.00 0.00 179.97 179.04 2x58 h GLY 310 N -0.30 0.59 -0.05 0.04 0.00 -1.20 -2.32 103.07 99.82 2x58 h GLY 310 Ca 0.12 -0.40 0.11 0.00 0.00 0.00 0.00 47.33 47.16 2x58 h GLY 310 CO -0.37 0.37 -0.10 -2.22 0.00 0.00 0.00 176.54 174.22 2x58 h ILE 311 N 0.36 0.48 0.42 2.60 2.04 -1.11 0.09 117.51 122.40 2x58 h ILE 311 Ca 0.10 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2x58 h ILE 311 Cb 0.38 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2x58 h ILE 311 CO 0.01 0.01 -0.43 0.00 0.00 0.00 0.00 178.15 177.73 2x58 h ALA 312 N 1.54 -0.95 -0.79 1.87 0.00 -0.86 -1.66 119.26 118.40 2x58 h ALA 312 Ca 0.27 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.17 2x58 h ALA 312 Cb 0.42 0.63 -0.14 0.00 0.00 0.00 0.00 17.79 18.69 2x58 h ALA 312 CO -0.54 -1.07 -0.31 0.82 0.00 0.00 0.00 179.25 178.14 2x58 h ILE 313 N -0.87 0.11 -0.60 0.00 2.04 -0.96 -1.64 117.51 115.59 2x58 h ILE 313 Ca -0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.91 2x58 h ILE 313 Cb 0.77 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 2x58 h ILE 313 CO -0.07 0.00 0.24 0.28 0.00 0.00 0.00 178.15 178.60 2x58 h SER 314 N -0.06 0.26 0.50 1.72 0.02 -0.04 -0.04 113.55 115.91 2x58 h SER 314 Ca 0.32 0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 61.17 2x58 h SER 314 Cb 0.58 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2x58 h SER 314 CO -0.83 0.16 -0.75 -0.26 -1.14 0.00 0.00 176.83 174.01 2x58 h PHE 315 N 0.44 0.27 -0.18 3.45 0.04 -1.05 -3.31 116.94 116.59 2x58 h PHE 315 Ca 0.30 -0.13 -0.19 0.00 2.80 0.00 0.00 57.97 60.75 2x58 h PHE 315 Cb 0.34 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 2x58 h PHE 315 CO -0.15 0.87 -0.64 0.00 -0.60 0.00 0.00 178.31 177.79 2x58 h ALA 316 N 1.09 0.53 0.00 2.45 0.00 -0.08 -3.12 119.26 120.13 2x58 h ALA 316 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2x58 h ALA 316 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2x58 h ALA 316 CO 0.11 0.70 0.00 2.89 0.00 0.00 0.00 179.25 182.95 2x58 n ARG 317 N -3.94 0.01 -1.00 0.00 1.85 -0.85 -1.49 116.66 111.25 2x58 n ARG 317 Ca -0.05 0.26 -0.11 0.00 -1.00 0.00 0.00 57.85 56.95 2x58 n ARG 317 Cb 0.67 -1.50 0.18 0.00 -1.05 0.00 0.00 32.46 30.75 2x58 n ARG 317 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 2x58 n VAL 318 N -1.49 2.75 -2.09 8.89 0.24 -1.22 -4.96 118.33 120.45 2x58 n VAL 318 Ca 0.03 -2.69 -0.18 0.00 -2.04 0.00 0.00 64.34 59.47 2x58 n VAL 318 Cb 0.16 -0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 32.06 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 -1.10 0.30 3.84 7.63 0.00 -0.55 -5.00 105.19 110.30 2x58 n GLY 319 Ca 0.41 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.77 4.53 -0.53 -0.61 1.01 -1.18 -4.83 121.20 116.81 2x58 s ILE 320 Ca 0.00 1.23 -0.29 0.00 0.00 0.00 0.00 60.65 61.59 2x58 s ILE 320 Cb 0.00 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.88 2x58 s ILE 320 CO 0.00 -0.32 1.20 -0.44 0.00 0.00 0.00 174.94 175.38 2x58 s SER 321 N -2.35 6.49 -0.19 3.58 0.01 0.41 -4.39 113.70 117.27 2x58 s SER 321 Ca 0.58 0.29 -0.09 0.00 1.31 0.00 0.00 55.95 58.04 2x58 s SER 321 Cb -0.10 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 2x58 s SER 321 CO 0.17 -1.41 0.10 -0.69 0.41 0.00 0.00 173.24 171.82 2x58 s VAL 322 N 4.86 5.14 -0.33 3.43 1.01 0.26 0.90 120.40 135.67 2x58 s VAL 322 Ca 0.46 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 2x58 s VAL 322 Cb -0.08 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 33.03 2x58 s VAL 322 CO 0.28 0.45 0.06 -0.69 0.00 0.00 0.00 175.10 175.21 2x58 s VAL 323 N 0.32 3.17 -0.27 2.92 1.01 -0.67 -1.49 120.40 125.40 2x58 s VAL 323 Ca 0.06 -1.49 -0.10 0.00 0.00 0.00 0.00 61.98 60.45 2x58 s VAL 323 Cb -0.12 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2x58 s VAL 323 CO -0.01 -0.24 0.16 0.00 0.00 0.00 0.00 175.10 175.01 2x58 s ALA 324 N 1.25 3.47 -0.11 5.51 0.00 -0.80 -1.57 121.76 129.51 2x58 s ALA 324 Ca -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2x58 s ALA 324 Cb -0.20 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.57 2x58 s ALA 324 CO -0.01 -0.48 -0.11 0.08 0.00 0.00 0.00 175.76 175.25 2x58 s VAL 325 N 1.61 1.21 -0.16 0.00 1.01 -0.13 -2.58 120.40 121.37 2x58 s VAL 325 Ca 0.07 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2x58 s VAL 325 Cb -0.15 -1.17 0.06 0.00 0.00 0.00 0.00 36.38 35.11 2x58 s VAL 325 CO 0.09 0.39 0.08 -0.70 0.00 0.00 0.00 175.10 174.96 2x58 s GLU 326 N 1.38 0.08 0.07 2.72 2.56 -1.21 0.35 118.70 124.64 2x58 s GLU 326 Ca -0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 54.97 54.58 2x58 s GLU 326 Cb -0.13 -1.68 -0.18 0.00 2.00 0.00 0.00 34.13 34.13 2x58 s GLU 326 CO -0.06 -0.63 1.59 0.66 -0.56 0.00 0.00 175.26 176.27 2x58 h SER 327 N 8.41 -1.03 -0.88 -1.70 4.64 -1.87 -3.42 113.55 117.69 2x58 h SER 327 Ca -0.15 0.05 -0.71 0.00 -0.47 0.00 0.00 61.79 60.52 2x58 h SER 327 Cb 1.14 0.30 -0.02 0.00 -0.31 0.00 0.00 62.40 63.51 2x58 h SER 327 CO 0.28 -0.66 1.30 -0.67 -0.87 0.00 0.00 176.83 176.21 2x58 n ASP 328 N -5.56 1.81 0.07 4.97 2.03 -1.26 -4.86 116.55 113.75 2x58 n ASP 328 Ca -0.14 0.60 0.03 0.00 0.52 0.00 0.00 54.79 55.80 2x58 n ASP 328 Cb 0.44 -1.15 0.42 0.00 -0.72 0.00 0.00 41.12 40.12 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 10.60 0.38 0.23 -0.67 0.11 -2.00 -0.89 132.00 139.77 2x58 h PRO 329 Ca -0.26 -0.05 -0.34 0.00 0.11 0.00 0.00 66.00 65.46 2x58 h PRO 329 Cb 1.35 -0.07 0.03 0.00 0.11 0.00 0.00 31.00 32.41 2x58 h PRO 329 CO 1.03 0.35 -1.57 1.57 -0.21 0.00 0.00 178.00 179.16 2x58 h LYS 330 N 0.38 0.48 -0.57 1.05 2.10 -1.95 -2.78 116.57 115.27 2x58 h LYS 330 Ca 0.09 -0.83 0.04 0.00 -2.00 0.00 0.00 60.65 57.95 2x58 h LYS 330 Cb 0.14 0.31 -0.04 0.00 -0.90 0.00 0.00 32.23 31.74 2x58 h LYS 330 CO -0.00 1.39 0.33 0.37 -2.00 0.00 0.00 179.45 179.54 2x58 h GLN 331 N 0.13 0.62 -0.98 0.07 5.75 -1.89 -1.21 115.11 117.60 2x58 h GLN 331 Ca -0.28 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.24 2x58 h GLN 331 Cb 2.14 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 30.49 2x58 h GLN 331 CO 0.24 0.41 0.64 1.25 -2.65 0.00 0.00 178.83 178.72 2x58 h LEU 332 N 0.64 1.02 -0.71 -2.39 5.85 -1.26 0.07 115.31 118.52 2x58 h LEU 332 Ca 0.24 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.85 2x58 h LEU 332 Cb 0.08 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2x58 h LEU 332 CO -0.13 0.66 -0.27 0.44 -0.34 0.00 0.00 178.44 178.80 2x58 h ASP 333 N 1.16 0.71 0.07 1.25 3.45 -1.06 -1.71 116.42 120.29 2x58 h ASP 333 Ca 0.42 -0.27 -0.16 0.00 0.43 0.00 0.00 57.03 57.45 2x58 h ASP 333 Cb 0.15 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 2x58 h ASP 333 CO -0.16 0.95 -0.57 0.00 -1.57 0.00 0.00 179.24 177.89 2x58 h ALA 334 N 1.10 0.70 0.26 3.45 0.00 -0.81 -3.14 119.26 120.83 2x58 h ALA 334 Ca 0.08 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2x58 h ALA 334 Cb 0.77 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2x58 h ALA 334 CO 0.06 0.70 -0.15 0.00 0.00 0.00 0.00 179.25 179.85 2x58 h ALA 335 N 0.99 -0.39 -0.49 0.00 0.00 -0.80 -2.71 119.26 115.86 2x58 h ALA 335 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2x58 h ALA 335 Cb 1.11 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.99 2x58 h ALA 335 CO 0.10 -0.73 -0.17 0.87 0.00 0.00 0.00 179.25 179.33 2x58 h LYS 336 N -0.40 -0.05 -0.24 0.00 1.57 -1.30 0.17 116.57 116.33 2x58 h LYS 336 Ca -0.03 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 2x58 h LYS 336 Cb 0.33 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2x58 h LYS 336 CO 0.03 -0.03 -0.50 -0.22 -0.57 0.00 0.00 179.45 178.16 2x58 h LYS 337 N -0.05 0.66 -0.23 3.15 1.63 -1.57 -2.23 116.57 117.93 2x58 h LYS 337 Ca 0.23 -0.39 -0.17 0.00 -0.85 0.00 0.00 60.65 59.47 2x58 h LYS 337 Cb 0.41 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2x58 h LYS 337 CO -0.53 1.01 -0.53 0.82 -3.45 0.00 0.00 179.45 176.76 2x58 h ILE 338 N 0.52 1.30 -0.14 2.00 2.04 -1.13 -1.30 117.51 120.80 2x58 h ILE 338 Ca 0.02 -1.75 -0.12 0.00 1.00 0.00 0.00 64.86 64.01 2x58 h ILE 338 Cb 1.05 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2x58 h ILE 338 CO 0.10 0.56 -0.37 0.40 0.00 0.00 0.00 178.15 178.84 2x58 h ILE 339 N 0.53 1.36 -0.44 -0.67 2.04 -0.95 -2.41 117.51 116.97 2x58 h ILE 339 Ca 0.01 -1.65 -0.13 0.00 1.00 0.00 0.00 64.86 64.09 2x58 h ILE 339 Cb 1.10 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 2x58 h ILE 339 CO 0.11 0.50 -0.24 0.74 0.00 0.00 0.00 178.15 179.25 2x58 h THR 340 N 0.10 1.27 -0.34 -0.27 2.02 -1.46 -2.12 112.91 112.12 2x58 h THR 340 Ca -0.01 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 65.72 2x58 h THR 340 Cb 0.98 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 2x58 h THR 340 CO 0.08 0.48 -0.01 0.15 0.37 0.00 0.00 175.52 176.58 2x58 h PHE 341 N 0.80 0.55 -0.07 3.16 3.57 -1.28 0.12 116.94 123.79 2x58 h PHE 341 Ca 0.10 -0.06 -0.18 0.00 3.53 0.00 0.00 57.97 61.36 2x58 h PHE 341 Cb 0.80 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2x58 h PHE 341 CO 0.05 0.55 -0.74 1.15 -2.23 0.00 0.00 178.31 177.09 2x58 h THR 342 N 0.50 1.39 0.00 4.41 2.02 -1.34 -2.79 112.91 117.10 2x58 h THR 342 Ca 0.11 -2.18 -0.10 0.00 0.77 0.00 0.00 66.41 65.01 2x58 h THR 342 Cb 0.35 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 2x58 h THR 342 CO 0.01 0.65 -0.71 -0.07 0.37 0.00 0.00 175.52 175.77 2x58 h LEU 343 N 0.25 0.00 -0.37 2.58 3.38 -0.99 -2.69 115.31 117.47 2x58 h LEU 343 Ca -0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2x58 h LEU 343 Cb 1.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 2x58 h LEU 343 CO 0.12 0.40 -0.81 -0.33 0.09 0.00 0.00 178.44 177.91 2x58 h GLU 344 N 0.00 0.00 -0.06 1.13 5.08 -0.85 -0.62 114.58 119.26 2x58 h GLU 344 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2x58 h GLU 344 Cb 1.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 2x58 h GLU 344 CO 0.05 0.81 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.61 2x58 h LYS 345 N 0.00 0.14 -0.09 2.33 1.63 -1.46 -2.27 116.57 116.85 2x58 h LYS 345 Ca -0.01 -0.06 -0.21 0.00 -0.85 0.00 0.00 60.65 59.52 2x58 h LYS 345 Cb 1.44 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 2x58 h LYS 345 CO 0.11 0.53 -0.78 0.93 -3.45 0.00 0.00 179.45 176.79 2x58 h GLU 346 N -0.26 0.55 -0.59 1.90 5.08 -1.56 -2.99 114.58 116.70 2x58 h GLU 346 Ca 0.01 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 2x58 h GLU 346 Cb 0.50 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2x58 h GLU 346 CO 0.01 1.10 0.23 0.00 -1.00 0.00 0.00 179.01 179.34 2x58 h ALA 347 N 0.77 0.77 -1.28 3.43 0.00 -1.17 -2.89 119.26 118.88 2x58 h ALA 347 Ca -0.05 -0.17 -0.75 0.00 0.00 0.00 0.00 54.91 53.94 2x58 h ALA 347 Cb 1.38 -0.23 -0.30 0.00 0.00 0.00 0.00 17.79 18.64 2x58 h ALA 347 CO 0.14 0.40 0.71 -1.13 0.00 0.00 0.00 179.25 179.37 2x58 n SER 348 N -4.45 6.88 0.00 0.00 3.41 -0.85 -3.28 113.62 115.33 2x58 n SER 348 Ca 0.03 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 2x58 n SER 348 Cb 0.18 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 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 -0.31 0.00 0.00 4.33 1.74 -1.10 -4.63 116.66 116.69 2x58 n ARG 349 Ca 0.47 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.66 2x58 n ARG 349 Cb 0.30 -0.32 -0.08 0.00 -1.02 0.00 0.00 32.46 31.34 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 4.08 -1.22 7.54 0.00 -1.14 -3.94 120.51 125.84 2x58 n ALA 350 Ca 0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 53.44 52.62 2x58 n ALA 350 Cb 0.18 -0.82 0.12 0.00 0.00 0.00 0.00 19.45 18.93 2x58 n ALA 350 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2x58 n HIS 351 N -1.72 3.02 -1.05 0.00 8.25 -1.21 -0.14 115.22 122.38 2x58 n HIS 351 Ca 0.02 -2.40 0.00 0.00 -0.26 0.00 0.00 57.72 55.09 2x58 n HIS 351 Cb 0.39 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 30.32 2x58 n HIS 351 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2x58 n GLN 352 N -0.94 0.00 0.00 -0.41 10.64 -1.25 -4.77 117.38 120.65 2x58 n GLN 352 Ca 0.59 -0.39 0.00 0.00 -1.83 0.00 0.00 57.00 55.37 2x58 n GLN 352 Cb 1.12 -0.48 0.00 0.00 -0.86 0.00 0.00 30.24 30.02 2x58 n GLN 352 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2x58 n ASN 353 N 0.00 1.13 -3.10 2.61 3.02 -1.25 -5.05 115.26 112.62 2x58 n ASN 353 Ca 0.00 -1.54 -0.14 0.00 -0.03 0.00 0.00 54.58 52.86 2x58 n ASN 353 Cb 0.45 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.70 2x58 n ASN 353 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x58 n GLY 354 N -0.27 -0.43 2.99 7.41 0.00 -1.20 -5.06 105.19 108.63 2x58 n GLY 354 Ca 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 2x58 n GLY 354 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x58 s GLN 355 N -4.93 0.52 -0.87 1.61 -0.21 0.80 -5.04 119.66 111.54 2x58 s GLN 355 Ca 0.11 -0.32 -0.25 0.00 0.02 0.00 0.00 55.36 54.92 2x58 s GLN 355 Cb -0.01 -0.48 -0.05 0.00 1.00 0.00 0.00 33.01 33.46 2x58 s GLN 355 CO 0.64 0.13 1.99 0.00 -2.12 0.00 0.00 175.29 175.93 2x58 s ALA 356 N -0.34 1.60 -0.18 6.09 0.00 -1.26 -4.21 121.76 123.46 2x58 s ALA 356 Ca 0.01 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 2x58 s ALA 356 Cb -0.04 -4.54 -0.00 0.00 0.00 0.00 0.00 23.12 18.54 2x58 s ALA 356 CO -0.00 -4.87 1.10 0.45 0.00 0.00 0.00 175.76 172.43 2x58 s SER 357 N 8.33 7.09 1.10 0.00 0.15 -1.26 -5.03 113.70 124.08 2x58 s SER 357 Ca 0.72 1.52 -0.15 0.00 0.70 0.00 0.00 55.95 58.73 2x58 s SER 357 Cb -0.08 -2.54 0.24 0.00 -1.71 0.00 0.00 66.02 61.93 2x58 s SER 357 CO 0.01 -0.64 1.10 0.00 1.20 0.00 0.00 173.24 174.91 2x58 s ALA 358 N 2.95 0.70 -0.02 5.45 0.00 -1.26 -4.99 121.76 124.58 2x58 s ALA 358 Ca 0.48 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 2x58 s ALA 358 Cb -0.18 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 2x58 s ALA 358 CO 0.12 -3.24 1.34 0.15 0.00 0.00 0.00 175.76 174.12 2x58 s LYS 359 N -5.13 4.30 0.20 0.00 3.01 -1.26 -4.99 119.74 115.87 2x58 s LYS 359 Ca 0.68 1.87 -0.32 0.00 -1.01 0.00 0.00 55.97 57.19 2x58 s LYS 359 Cb -0.15 -3.57 -0.12 0.00 -1.01 0.00 0.00 37.83 32.98 2x58 s LYS 359 CO 0.57 -0.53 1.71 -2.14 0.51 0.00 0.00 175.35 175.47 2x58 s PRO 360 N 2.35 4.13 -0.76 -1.68 0.02 -1.26 -4.79 135.00 133.00 2x58 s PRO 360 Ca 0.61 2.59 -0.08 0.00 0.02 0.00 0.00 61.00 64.14 2x58 s PRO 360 Cb -0.29 -3.09 0.20 0.00 0.02 0.00 0.00 34.50 31.34 2x58 s PRO 360 CO 0.25 -0.74 0.64 0.15 -0.33 0.00 0.00 177.00 176.97 2x58 s LYS 361 N 1.21 3.16 -0.04 5.54 1.02 -1.26 -5.03 119.74 124.34 2x58 s LYS 361 Ca 0.75 -2.60 -0.07 0.00 0.02 0.00 0.00 55.97 54.07 2x58 s LYS 361 Cb -0.49 -4.10 0.01 0.00 -0.52 0.00 0.00 37.83 32.73 2x58 s LYS 361 CO 0.32 -1.24 0.17 -0.48 -0.92 0.00 0.00 175.35 173.20 2x58 s LEU 362 N -0.13 1.40 0.01 3.17 0.05 -1.26 -0.58 118.68 121.34 2x58 s LEU 362 Ca 0.19 0.11 -0.01 0.00 0.05 0.00 0.00 54.13 54.47 2x58 s LEU 362 Cb -0.14 0.66 -0.01 0.00 -2.05 0.00 0.00 46.19 44.65 2x58 s LEU 362 CO -0.07 -0.20 0.01 0.00 -0.55 0.00 0.00 176.35 175.54 2x58 s ARG 363 N -0.57 0.19 0.24 1.48 1.70 -0.55 -4.98 118.95 116.46 2x58 s ARG 363 Ca -0.07 -0.30 0.07 0.00 -0.47 0.00 0.00 55.73 54.96 2x58 s ARG 363 Cb -0.04 0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.38 2x58 s ARG 363 CO 0.01 -0.03 0.21 -0.06 -1.08 0.00 0.00 175.30 174.35 2x58 s PHE 364 N -0.77 3.16 0.29 5.89 0.08 -1.26 -1.91 117.98 123.47 2x58 s PHE 364 Ca -0.08 -0.09 -0.19 0.00 0.12 0.00 0.00 56.93 56.68 2x58 s PHE 364 Cb -0.05 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.98 2x58 s PHE 364 CO -0.00 0.51 0.70 0.45 -0.10 0.00 0.00 175.22 176.78 2x58 s SER 365 N -3.79 -0.20 -0.03 1.36 0.15 -1.06 -4.94 113.70 105.18 2x58 s SER 365 Ca 0.33 -0.71 0.05 0.00 0.70 0.00 0.00 55.95 56.31 2x58 s SER 365 Cb -0.08 0.73 0.07 0.00 -1.71 0.00 0.00 66.02 65.03 2x58 s SER 365 CO 0.25 -1.37 1.02 -1.54 1.20 0.00 0.00 173.24 172.80 2x58 n SER 366 N -0.58 1.98 -4.37 5.45 3.41 -1.26 -3.35 113.62 114.91 2x58 n SER 366 Ca -0.04 -2.22 -0.32 0.00 -0.26 0.00 0.00 58.87 56.02 2x58 n SER 366 Cb 0.59 -0.11 -0.15 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.41 3.68 0.00 4.04 0.15 -1.26 -4.49 113.70 114.42 2x58 s SER 367 Ca 0.08 -0.35 0.25 0.00 0.70 0.00 0.00 55.95 56.62 2x58 s SER 367 Cb 0.07 -1.11 1.25 0.00 -1.71 0.00 0.00 66.02 64.52 2x58 s SER 367 CO 0.01 0.25 1.82 0.35 1.20 0.00 0.00 173.24 176.87 2x58 n THR 368 N 2.94 0.21 0.05 6.45 -2.24 -1.26 -3.37 114.28 117.06 2x58 n THR 368 Ca -0.18 0.05 0.07 0.00 -2.27 0.00 0.00 64.05 61.73 2x58 n THR 368 Cb 0.52 -0.64 0.50 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.35 0.00 -0.78 1.57 -1.99 -2.15 116.57 113.58 2x58 h LYS 369 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2x58 h LYS 369 Cb 0.23 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2x58 h LYS 369 CO 0.00 0.23 0.00 0.39 -0.57 0.00 0.00 179.45 179.50 2x58 n GLU 370 N -4.49 0.05 -0.10 3.15 -0.58 -1.22 -3.32 120.64 114.14 2x58 n GLU 370 Ca 0.03 0.54 0.11 0.00 -0.42 0.00 0.00 57.16 57.42 2x58 n GLU 370 Cb 0.15 -1.65 0.16 0.00 -0.57 0.00 0.00 31.44 29.52 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 -1.75 3.20 0.11 -4.62 4.32 -0.81 -4.14 117.00 113.30 2x58 n LEU 371 Ca -0.00 -1.28 0.13 0.00 -0.02 0.00 0.00 56.01 54.83 2x58 n LEU 371 Cb 0.02 -0.14 0.44 0.00 -1.62 0.00 0.00 43.42 42.12 2x58 n LEU 371 CO 0.04 0.63 0.88 -1.54 -1.22 0.00 0.00 177.39 176.17 2x58 n SER 372 N 1.38 0.73 -1.12 -1.43 3.41 -1.21 -3.15 113.62 112.23 2x58 n SER 372 Ca 0.16 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.47 2x58 n SER 372 Cb 0.59 -0.79 0.26 0.00 -0.26 0.00 0.00 64.21 64.01 2x58 n SER 372 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2x58 n THR 373 N -2.22 0.91 -4.12 6.66 5.66 -1.26 -1.82 114.28 118.09 2x58 n THR 373 Ca 0.04 -0.80 -0.29 0.00 -3.05 0.00 0.00 64.05 59.95 2x58 n THR 373 Cb 0.36 0.32 -0.07 0.00 -1.55 0.00 0.00 70.33 69.38 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 -1.34 4.15 0.19 1.08 -7.23 -1.19 -5.00 120.40 111.07 2x58 s VAL 374 Ca 0.39 -1.04 -0.07 0.00 -1.81 0.00 0.00 61.98 59.45 2x58 s VAL 374 Cb 0.21 -3.03 0.03 0.00 0.56 0.00 0.00 36.38 34.15 2x58 s VAL 374 CO 0.25 0.04 1.60 0.44 -0.31 0.00 0.00 175.10 177.12 2x58 h ASP 375 N 3.08 0.88 -4.03 4.85 3.32 -1.67 -3.43 116.42 119.42 2x58 h ASP 375 Ca -0.47 -0.32 -0.12 0.00 0.02 0.00 0.00 57.03 56.13 2x58 h ASP 375 Cb 1.18 -0.24 -0.24 0.00 0.22 0.00 0.00 39.33 40.25 2x58 h ASP 375 CO 0.61 1.07 -0.25 -0.22 -1.72 0.00 0.00 179.24 178.73 2x58 s LEU 376 N -8.98 0.52 -0.06 1.55 0.20 -1.05 -1.04 118.68 109.82 2x58 s LEU 376 Ca -0.10 0.71 0.05 0.00 0.69 0.00 0.00 54.13 55.47 2x58 s LEU 376 Cb 0.13 1.36 -0.01 0.00 -0.43 0.00 0.00 46.19 47.24 2x58 s LEU 376 CO 0.85 -0.18 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.82 2x58 s VAL 377 N 0.00 1.84 -0.23 1.68 1.01 0.40 0.20 120.40 125.30 2x58 s VAL 377 Ca -0.02 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 2x58 s VAL 377 Cb -0.03 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2x58 s VAL 377 CO 0.01 0.52 0.03 -0.69 0.00 0.00 0.00 175.10 174.96 2x58 s VAL 378 N 0.02 3.99 -0.17 2.92 1.01 0.11 -0.66 120.40 127.62 2x58 s VAL 378 Ca -0.07 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 2x58 s VAL 378 Cb -0.14 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2x58 s VAL 378 CO 0.04 0.38 0.43 -0.70 0.00 0.00 0.00 175.10 175.25 2x58 s GLU 379 N 1.47 4.23 -0.39 2.72 -6.30 0.97 -0.96 118.70 120.45 2x58 s GLU 379 Ca 0.05 0.30 0.11 0.00 -2.50 0.00 0.00 54.97 52.93 2x58 s GLU 379 Cb -0.15 -3.50 0.32 0.00 0.00 0.00 0.00 34.13 30.80 2x58 s GLU 379 CO 0.01 0.02 0.68 0.00 0.02 0.00 0.00 175.26 175.99 2x58 n ALA 380 N 4.23 2.24 -2.64 6.30 0.00 0.30 -1.74 120.51 129.19 2x58 n ALA 380 Ca -0.08 -3.46 -0.29 0.00 0.00 0.00 0.00 53.44 49.62 2x58 n ALA 380 Cb 0.51 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.13 1.66 0.05 0.00 -7.23 -1.25 -4.31 120.40 107.19 2x58 s VAL 381 Ca 0.39 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.41 2x58 s VAL 381 Cb 0.29 -2.74 -0.08 0.00 0.56 0.00 0.00 36.38 34.41 2x58 s VAL 381 CO -0.09 0.00 0.35 0.49 -0.31 0.00 0.00 175.10 175.54 2x58 n PHE 382 N -1.02 0.01 -1.62 2.82 3.72 -1.26 -4.75 117.46 115.36 2x58 n PHE 382 Ca -0.08 0.46 -0.41 0.00 -0.05 0.00 0.00 57.45 57.36 2x58 n PHE 382 Cb 0.67 -0.92 -0.03 0.00 -0.94 0.00 0.00 39.48 38.26 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 0.56 2.26 -3.94 -1.08 4.07 -1.26 -4.73 120.64 116.52 2x58 n GLU 383 Ca 0.09 -2.37 -0.21 0.00 -0.06 0.00 0.00 57.16 54.61 2x58 n GLU 383 Cb 0.08 -3.21 -0.17 0.00 -0.06 0.00 0.00 31.44 28.09 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 4.28 1.18 0.30 4.31 2.15 -1.26 -5.04 116.67 122.60 2x58 s ASP 384 Ca 0.54 -0.09 -0.01 0.00 0.43 0.00 0.00 52.55 53.42 2x58 s ASP 384 Cb 0.12 -0.41 0.47 0.00 -0.30 0.00 0.00 42.92 42.80 2x58 s ASP 384 CO 0.03 -0.13 1.92 -0.03 -0.17 0.00 0.00 175.17 176.79 2x58 h MET 385 N 7.75 0.93 -0.09 4.34 1.85 -2.01 -2.07 114.93 125.63 2x58 h MET 385 Ca -0.30 -0.10 -0.02 0.00 -0.61 0.00 0.00 59.70 58.67 2x58 h MET 385 Cb 1.14 -0.18 -0.00 0.00 0.43 0.00 0.00 31.60 32.98 2x58 h MET 385 CO 0.37 0.69 -0.01 -0.91 -0.40 0.00 0.00 176.91 176.65 2x58 h ASN 386 N 0.93 0.17 -0.34 1.39 2.35 -1.97 -2.66 115.58 115.45 2x58 h ASN 386 Ca 0.24 -0.34 0.05 0.00 -0.55 0.00 0.00 56.30 55.69 2x58 h ASN 386 Cb 0.05 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2x58 h ASN 386 CO -0.04 0.48 0.06 0.25 -1.65 0.00 0.00 177.43 176.53 2x58 h LEU 387 N -0.13 0.00 0.21 1.61 5.85 -1.86 -2.51 115.31 118.47 2x58 h LEU 387 Ca 0.03 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2x58 h LEU 387 Cb 0.39 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2x58 h LEU 387 CO 0.01 0.04 -0.46 0.11 -0.34 0.00 0.00 178.44 177.80 2x58 h LYS 388 N 0.18 -0.70 -0.83 1.25 1.79 -1.36 0.12 116.57 117.02 2x58 h LYS 388 Ca 0.16 0.05 0.20 0.00 -2.18 0.00 0.00 60.65 58.88 2x58 h LYS 388 Cb 0.18 0.16 -0.14 0.00 -1.58 0.00 0.00 32.23 30.85 2x58 h LYS 388 CO -0.22 -0.47 0.07 0.87 -1.08 0.00 0.00 179.45 178.63 2x58 h LYS 389 N -0.73 0.11 0.03 3.15 1.57 -1.38 0.15 116.57 119.48 2x58 h LYS 389 Ca -0.02 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2x58 h LYS 389 Cb 0.69 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2x58 h LYS 389 CO -0.19 0.08 -0.01 -0.22 -0.57 0.00 0.00 179.45 178.53 2x58 h LYS 390 N 0.12 -0.04 -0.20 3.15 3.64 -1.05 -2.08 116.57 120.11 2x58 h LYS 390 Ca 0.48 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.87 2x58 h LYS 390 Cb 0.91 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2x58 h LYS 390 CO -0.71 0.09 0.13 0.28 -2.27 0.00 0.00 179.45 176.98 2x58 h VAL 391 N -0.16 1.04 0.12 2.00 2.07 0.13 -0.71 116.25 120.74 2x58 h VAL 391 Ca -0.00 -0.09 -0.19 0.00 0.82 0.00 0.00 66.70 67.24 2x58 h VAL 391 Cb 0.15 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2x58 h VAL 391 CO 0.01 0.05 -0.91 -0.26 0.02 0.00 0.00 177.57 176.48 2x58 h PHE 392 N 0.25 0.47 -1.01 1.57 -1.00 -0.95 -2.74 116.94 113.54 2x58 h PHE 392 Ca 0.08 -0.34 0.07 0.00 2.81 0.00 0.00 57.97 60.59 2x58 h PHE 392 Cb 0.00 -0.02 -0.07 0.00 3.61 0.00 0.00 35.95 39.47 2x58 h PHE 392 CO -0.00 1.35 0.65 0.00 -1.61 0.00 0.00 178.31 178.70 2x58 h ALA 393 N 0.03 1.42 0.00 2.45 0.00 -1.16 0.57 119.26 122.57 2x58 h ALA 393 Ca -0.18 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2x58 h ALA 393 Cb 1.61 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2x58 h ALA 393 CO 0.11 0.41 -0.24 1.49 0.00 0.00 0.00 179.25 181.03 2x58 h GLU 394 N 1.15 0.00 0.06 0.00 4.81 -1.19 -2.35 114.58 117.06 2x58 h GLU 394 Ca 0.44 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.39 2x58 h GLU 394 Cb 0.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2x58 h GLU 394 CO -0.19 0.24 -1.52 -0.07 -0.73 0.00 0.00 179.01 176.74 2x58 h LEU 395 N 0.00 0.20 -1.47 1.64 3.38 -0.90 -2.96 115.31 115.20 2x58 h LEU 395 Ca -0.00 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 2x58 h LEU 395 Cb 0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2x58 h LEU 395 CO 0.03 1.26 -0.26 -1.28 0.09 0.00 0.00 178.44 178.29 2x58 h SER 396 N 0.04 0.00 0.51 -0.43 0.87 0.22 0.14 113.55 114.89 2x58 h SER 396 Ca -0.22 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.04 2x58 h SER 396 Cb 1.97 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.95 2x58 h SER 396 CO 0.13 0.26 -1.32 0.00 -0.53 0.00 0.00 176.83 175.37 2x58 h ALA 397 N 1.74 0.01 0.04 6.23 0.00 -1.53 -3.43 119.26 122.32 2x58 h ALA 397 Ca -0.00 -0.87 -0.38 0.00 0.00 0.00 0.00 54.91 53.65 2x58 h ALA 397 Cb 0.55 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2x58 h ALA 397 CO 0.03 0.88 -2.33 -0.11 0.00 0.00 0.00 179.25 177.72 2x58 n LEU 398 N -3.60 2.79 -4.81 0.00 7.94 -0.92 -4.96 117.00 113.45 2x58 n LEU 398 Ca -0.11 -0.03 -0.33 0.00 -1.11 0.00 0.00 56.01 54.42 2x58 n LEU 398 Cb 1.05 -0.92 -0.02 0.00 0.53 0.00 0.00 43.42 44.05 2x58 n LEU 398 CO 0.56 0.90 0.70 0.00 -1.11 0.00 0.00 177.39 178.45 2x58 n LYS 400 N -1.36 0.83 -1.74 0.00 2.85 -0.76 -4.91 118.16 113.07 2x58 n LYS 400 Ca 0.08 0.35 -0.37 0.00 -1.05 0.00 0.00 58.31 57.32 2x58 n LYS 400 Cb 0.53 -2.50 0.07 0.00 -0.65 0.00 0.00 35.03 32.48 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 -3.58 2.57 0.00 -1.58 0.02 -1.26 -2.43 135.00 128.74 2x58 s PRO 401 Ca 0.80 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.90 2x58 s PRO 401 Cb -0.35 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.31 2x58 s PRO 401 CO 0.43 -1.59 0.00 0.41 -0.33 0.00 0.00 177.00 175.93 2x58 n GLY 402 N 0.90 0.28 3.79 0.52 0.00 -1.26 -5.01 105.19 104.41 2x58 n GLY 402 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.56 3.44 0.02 4.61 0.00 -1.02 -5.01 121.76 122.23 2x58 s ALA 403 Ca 0.00 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.09 2x58 s ALA 403 Cb 0.00 -2.90 -0.06 0.00 0.00 0.00 0.00 23.12 20.16 2x58 s ALA 403 CO 0.00 0.31 0.44 -0.06 0.00 0.00 0.00 175.76 176.44 2x58 s PHE 404 N -1.30 3.73 -0.28 0.00 0.08 -0.21 -4.95 117.98 115.06 2x58 s PHE 404 Ca 0.38 1.03 0.03 0.00 0.12 0.00 0.00 56.93 58.49 2x58 s PHE 404 Cb -0.20 -2.32 0.07 0.00 -0.57 0.00 0.00 43.02 39.99 2x58 s PHE 404 CO 0.24 0.62 -0.07 -0.51 -0.10 0.00 0.00 175.22 175.40 2x58 s LEU 405 N -1.15 3.70 -0.14 -0.37 1.43 -0.43 -0.45 118.68 121.26 2x58 s LEU 405 Ca 0.25 -1.52 -0.01 0.00 -1.03 0.00 0.00 54.13 51.83 2x58 s LEU 405 Cb -0.17 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 2x58 s LEU 405 CO 0.15 -0.23 -0.10 0.00 0.23 0.00 0.00 176.35 176.40 2x58 s THR 407 N 0.42 5.18 -0.46 0.00 -1.32 -0.78 -0.02 115.64 118.67 2x58 s THR 407 Ca -0.08 0.62 0.02 0.00 -1.21 0.00 0.00 61.69 61.04 2x58 s THR 407 Cb -0.15 -3.61 0.57 0.00 -1.51 0.00 0.00 72.50 67.80 2x58 s THR 407 CO 0.04 0.58 1.89 -3.20 -2.21 0.00 0.00 174.62 171.72 2x58 n ASN 408 N 1.82 4.54 -4.68 8.08 5.15 -0.71 0.54 115.26 130.00 2x58 n ASN 408 Ca -0.16 -3.53 -0.31 0.00 -0.60 0.00 0.00 54.58 49.99 2x58 n ASN 408 Cb 0.53 -0.85 0.16 0.00 -0.53 0.00 0.00 39.78 39.09 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 -3.35 2.26 -0.18 -0.44 -1.32 -1.26 -4.71 115.64 106.63 2x58 s THR 409 Ca 0.54 0.08 -0.01 0.00 -1.21 0.00 0.00 61.69 61.09 2x58 s THR 409 Cb 0.45 -2.18 -0.11 0.00 -1.51 0.00 0.00 72.50 69.15 2x58 s THR 409 CO 0.08 -0.11 -0.18 -1.20 -2.21 0.00 0.00 174.62 171.00 2x58 n SER 410 N -4.15 2.32 0.00 8.08 7.64 -1.26 -4.69 113.62 121.57 2x58 n SER 410 Ca 0.11 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2x58 n SER 410 Cb 0.52 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 -3.22 1.79 -2.81 -0.43 0.00 -1.26 -4.22 120.51 110.36 2x58 n ALA 411 Ca -0.33 -0.44 -0.34 0.00 0.00 0.00 0.00 53.44 52.33 2x58 n ALA 411 Cb 0.83 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.11 4.02 -0.21 0.00 1.43 -1.26 -4.87 118.68 117.68 2x58 s LEU 412 Ca 0.00 0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.03 2x58 s LEU 412 Cb 0.00 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 2x58 s LEU 412 CO 0.00 0.29 1.54 0.21 0.23 0.00 0.00 176.35 178.62 2x58 s ASN 413 N -1.63 6.50 0.52 2.29 3.84 -1.26 -4.88 114.94 120.32 2x58 s ASN 413 Ca 0.22 1.61 0.34 0.00 0.21 0.00 0.00 52.86 55.24 2x58 s ASN 413 Cb -0.12 -2.53 1.55 0.00 -0.55 0.00 0.00 41.25 39.60 2x58 s ASN 413 CO 0.13 -1.16 2.01 1.62 -2.79 0.00 0.00 177.10 176.91 2x58 h VAL 414 N 6.01 0.00 -0.27 -5.21 3.04 -1.96 -2.64 116.25 115.23 2x58 h VAL 414 Ca -0.32 -0.31 -0.04 0.00 -1.01 0.00 0.00 66.70 65.02 2x58 h VAL 414 Cb 1.14 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 2x58 h VAL 414 CO 1.00 0.00 0.01 0.44 -1.01 0.00 0.00 177.57 178.01 2x58 h ASP 415 N 0.00 0.46 0.21 3.17 3.32 -1.95 -1.79 116.42 119.83 2x58 h ASP 415 Ca 0.00 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.70 2x58 h ASP 415 Cb 0.33 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2x58 h ASP 415 CO 0.00 0.64 -0.22 0.44 -1.72 0.00 0.00 179.24 178.38 2x58 h ASP 416 N 0.26 0.04 -0.14 6.45 3.32 -1.88 -0.65 116.42 123.81 2x58 h ASP 416 Ca 0.08 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 2x58 h ASP 416 Cb 0.40 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2x58 h ASP 416 CO 0.01 0.26 -0.60 0.40 -1.72 0.00 0.00 179.24 177.60 2x58 h ILE 417 N 0.04 1.29 -0.52 0.35 2.04 -1.53 -3.16 117.51 116.02 2x58 h ILE 417 Ca 0.00 -1.81 -0.07 0.00 1.00 0.00 0.00 64.86 63.98 2x58 h ILE 417 Cb 0.42 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2x58 h ILE 417 CO 0.03 0.58 0.02 0.00 0.00 0.00 0.00 178.15 178.78 2x58 h ALA 418 N 0.76 1.06 0.00 1.87 0.00 -0.45 -3.17 119.26 119.34 2x58 h ALA 418 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2x58 h ALA 418 Cb 1.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2x58 h ALA 418 CO 0.12 0.59 0.00 0.66 0.00 0.00 0.00 179.25 180.63 2x58 h SER 419 N 0.80 0.00 -1.22 0.00 4.64 -1.11 -0.64 113.55 116.02 2x58 h SER 419 Ca 0.16 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.79 2x58 h SER 419 Cb 0.45 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.23 2x58 h SER 419 CO 0.02 0.00 0.67 -1.54 -0.87 0.00 0.00 176.83 175.11 2x58 n SER 420 N -2.87 7.26 -3.98 4.97 3.41 -1.20 -4.95 113.62 116.26 2x58 n SER 420 Ca -0.01 -3.79 -0.08 0.00 -0.26 0.00 0.00 58.87 54.73 2x58 n SER 420 Cb 0.16 -0.91 -0.09 0.00 -0.26 0.00 0.00 64.21 63.12 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 -4.89 0.18 -2.00 6.66 -4.23 -0.25 -2.95 115.64 108.16 2x58 s THR 421 Ca 0.60 -1.45 0.25 0.00 -1.18 0.00 0.00 61.69 59.91 2x58 s THR 421 Cb 0.48 -1.34 0.72 0.00 1.34 0.00 0.00 72.50 73.69 2x58 s THR 421 CO -0.10 -0.80 1.97 0.47 -0.54 0.00 0.00 174.62 175.61 2x58 n ASP 422 N 0.16 0.00 -3.08 3.99 9.92 -1.26 -4.28 116.55 121.99 2x58 n ASP 422 Ca -0.15 -1.20 -0.17 0.00 -0.53 0.00 0.00 54.79 52.73 2x58 n ASP 422 Cb 0.61 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.07 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 -0.90 0.89 0.00 -1.24 1.85 -1.26 -4.93 116.66 111.08 2x58 n ARG 423 Ca 0.19 -2.97 0.16 0.00 -1.00 0.00 0.00 57.85 54.23 2x58 n ARG 423 Cb 0.09 -1.44 0.62 0.00 -1.05 0.00 0.00 32.46 30.68 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 3.38 0.12 0.00 2.89 0.11 -1.77 0.13 132.00 136.85 2x58 h PRO 424 Ca 0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2x58 h PRO 424 Cb 0.97 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2x58 h PRO 424 CO 0.42 0.08 0.00 1.96 -0.21 0.00 0.00 178.00 180.25 2x58 h GLN 425 N 0.13 0.00 -0.29 1.05 4.20 -1.92 -2.79 115.11 115.49 2x58 h GLN 425 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2x58 h GLN 425 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2x58 h GLN 425 CO -0.03 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.41 2x58 n LEU 426 N -2.95 3.10 -4.44 1.46 4.77 0.44 -1.61 117.00 117.77 2x58 n LEU 426 Ca -0.02 -2.31 -0.34 0.00 -0.03 0.00 0.00 56.01 53.31 2x58 n LEU 426 Cb 0.13 -0.30 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 2x58 n LEU 426 CO 0.21 0.70 -0.36 -0.69 -1.33 0.00 0.00 177.39 175.91 2x58 s VAL 427 N -1.55 3.75 0.04 4.08 1.01 -1.05 -1.32 120.40 125.36 2x58 s VAL 427 Ca 0.27 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 2x58 s VAL 427 Cb 0.18 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 2x58 s VAL 427 CO 0.12 0.46 0.12 -0.51 0.00 0.00 0.00 175.10 175.30 2x58 s ILE 428 N 0.78 0.13 -0.09 2.22 2.07 -0.57 -4.27 121.20 121.47 2x58 s ILE 428 Ca -0.01 -1.05 -0.24 0.00 -1.41 0.00 0.00 60.65 57.94 2x58 s ILE 428 Cb -0.14 -0.92 -0.03 0.00 0.13 0.00 0.00 42.46 41.50 2x58 s ILE 428 CO 0.02 -0.58 0.75 -0.83 -1.91 0.00 0.00 174.94 172.39 2x58 s GLY 429 N -2.14 2.49 -0.51 1.50 0.00 0.11 -1.86 107.32 106.91 2x58 s GLY 429 Ca -0.05 0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.82 2x58 s GLY 429 CO -0.05 1.34 0.28 -0.51 0.00 0.00 0.00 173.10 174.16 2x58 s THR 430 N 1.19 2.18 -0.66 0.90 -4.23 0.19 -0.45 115.64 114.75 2x58 s THR 430 Ca 0.38 -3.16 -0.28 0.00 -1.18 0.00 0.00 61.69 57.46 2x58 s THR 430 Cb -0.18 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.19 2x58 s THR 430 CO 0.17 -0.86 1.24 -2.28 -0.54 0.00 0.00 174.62 172.35 2x58 s HIS 431 N -0.20 2.43 0.83 3.99 5.04 0.07 -4.02 115.29 123.43 2x58 s HIS 431 Ca 0.18 0.17 -0.11 0.00 -1.54 0.00 0.00 55.06 53.76 2x58 s HIS 431 Cb -0.22 -4.58 0.12 0.00 0.04 0.00 0.00 32.58 27.94 2x58 s HIS 431 CO -0.02 -1.85 1.18 -0.06 -2.34 0.00 0.00 174.74 171.64 2x58 s PHE 432 N 5.39 2.32 -0.04 3.88 0.40 -1.26 -1.53 117.98 127.14 2x58 s PHE 432 Ca 0.39 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 57.14 2x58 s PHE 432 Cb -0.08 -3.61 0.03 0.00 0.51 0.00 0.00 43.02 39.87 2x58 s PHE 432 CO 0.20 -2.00 0.00 -0.06 0.70 0.00 0.00 175.22 174.06 2x58 s PHE 433 N -3.57 0.36 -0.06 0.36 0.40 -1.26 -4.93 117.98 109.28 2x58 s PHE 433 Ca 0.66 -0.01 -0.20 0.00 -0.60 0.00 0.00 56.93 56.78 2x58 s PHE 433 Cb -0.08 -0.47 -0.05 0.00 0.51 0.00 0.00 43.02 42.94 2x58 s PHE 433 CO 0.49 -0.16 0.55 0.45 0.70 0.00 0.00 175.22 177.25 2x58 s SER 434 N 1.17 6.85 -0.16 1.36 0.15 -1.26 -2.56 113.70 119.25 2x58 s SER 434 Ca -0.08 1.02 -0.29 0.00 0.70 0.00 0.00 55.95 57.30 2x58 s SER 434 Cb -0.13 -2.33 -0.01 0.00 -1.71 0.00 0.00 66.02 61.83 2x58 s SER 434 CO -0.02 0.05 1.25 -2.84 1.20 0.00 0.00 173.24 172.88 2x58 s PRO 435 N 0.20 4.25 0.14 5.44 0.02 -1.26 -4.87 135.00 138.92 2x58 s PRO 435 Ca 0.29 1.65 0.16 0.00 0.02 0.00 0.00 61.00 63.13 2x58 s PRO 435 Cb -0.17 -3.74 0.74 0.00 0.02 0.00 0.00 34.50 31.35 2x58 s PRO 435 CO 0.14 -0.68 1.51 0.00 -0.33 0.00 0.00 177.00 177.64 2x58 n ALA 436 N 6.44 1.45 0.88 -1.55 0.00 -1.06 -0.37 120.51 126.30 2x58 n ALA 436 Ca 0.13 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.74 2x58 n ALA 436 Cb 0.45 -1.26 0.15 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.88 0.10 -0.01 0.00 1.44 -1.26 -4.35 115.22 109.26 2x58 n HIS 437 Ca 0.02 0.03 -0.04 0.00 -2.01 0.00 0.00 57.72 55.72 2x58 n HIS 437 Cb 0.14 -0.29 -0.01 0.00 0.12 0.00 0.00 29.99 29.95 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 1.26 -1.66 0.61 0.31 0.50 -4.90 118.33 112.80 2x58 n VAL 438 Ca 0.04 0.28 -0.47 0.00 -0.01 0.00 0.00 64.34 64.19 2x58 n VAL 438 Cb 0.36 -1.89 -0.04 0.00 -0.91 0.00 0.00 33.84 31.36 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 -3.83 2.00 0.07 5.55 2.81 0.24 -4.92 117.12 119.04 2x58 n MET 439 Ca -0.06 0.72 0.11 0.00 -1.81 0.00 0.00 57.70 56.67 2x58 n MET 439 Cb 0.22 -2.46 0.02 0.00 -0.71 0.00 0.00 33.22 30.30 2x58 n MET 439 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2x58 n ARG 440 N 3.09 0.48 -2.13 0.03 1.74 -1.26 -4.79 116.66 113.81 2x58 n ARG 440 Ca 0.16 0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.89 2x58 n ARG 440 Cb 0.28 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 2x58 n ARG 440 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2x58 s LEU 441 N -4.74 4.42 -0.24 0.55 0.20 -1.25 0.69 118.68 118.31 2x58 s LEU 441 Ca 0.01 2.58 -0.00 0.00 0.69 0.00 0.00 54.13 57.40 2x58 s LEU 441 Cb 0.12 -3.63 0.07 0.00 -0.43 0.00 0.00 46.19 42.32 2x58 s LEU 441 CO 0.79 -0.56 -0.00 -0.22 -0.29 0.00 0.00 176.35 176.07 2x58 s LEU 442 N -0.85 2.24 0.08 -0.68 2.96 0.29 -4.28 118.68 118.43 2x58 s LEU 442 Ca 0.54 -1.19 -0.31 0.00 -0.22 0.00 0.00 54.13 52.96 2x58 s LEU 442 Cb -0.39 -0.99 -0.06 0.00 0.50 0.00 0.00 46.19 45.25 2x58 s LEU 442 CO 0.45 -0.29 1.22 -1.61 -1.32 0.00 0.00 176.35 174.80 2x58 s GLU 443 N 1.53 4.43 -0.18 1.98 2.02 -0.58 -1.20 118.70 126.70 2x58 s GLU 443 Ca -0.02 1.81 0.00 0.00 0.02 0.00 0.00 54.97 56.78 2x58 s GLU 443 Cb -0.18 -3.33 0.01 0.00 0.10 0.00 0.00 34.13 30.73 2x58 s GLU 443 CO -0.09 -0.25 -0.17 0.08 0.02 0.00 0.00 175.26 174.84 2x58 s VAL 444 N 0.94 2.35 -0.39 2.63 1.01 0.30 -0.75 120.40 126.50 2x58 s VAL 444 Ca 0.59 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2x58 s VAL 444 Cb -0.30 -2.00 0.11 0.00 0.00 0.00 0.00 36.38 34.19 2x58 s VAL 444 CO 0.30 0.52 0.12 -0.63 0.00 0.00 0.00 175.10 175.41 2x58 s ILE 445 N 1.23 2.53 0.37 2.22 1.09 0.41 -0.94 121.20 128.12 2x58 s ILE 445 Ca 0.03 -2.50 -0.28 0.00 -1.10 0.00 0.00 60.65 56.80 2x58 s ILE 445 Cb -0.14 -2.82 -0.11 0.00 -1.06 0.00 0.00 42.46 38.34 2x58 s ILE 445 CO -0.09 -0.66 1.45 -2.84 -0.10 0.00 0.00 174.94 172.70 2x58 s PRO 446 N 0.70 4.12 0.53 2.79 0.02 -1.26 0.04 135.00 141.93 2x58 s PRO 446 Ca 0.12 2.50 -0.09 0.00 0.02 0.00 0.00 61.00 63.55 2x58 s PRO 446 Cb -0.21 -2.96 0.12 0.00 0.02 0.00 0.00 34.50 31.47 2x58 s PRO 446 CO -0.06 -0.49 0.72 -1.13 -0.33 0.00 0.00 177.00 175.71 2x58 n SER 447 N 0.47 0.09 0.08 2.53 3.41 -1.26 -4.72 113.62 114.22 2x58 n SER 447 Ca 0.01 -1.28 0.17 0.00 -0.26 0.00 0.00 58.87 57.51 2x58 n SER 447 Cb 0.40 -0.54 0.70 0.00 -0.26 0.00 0.00 64.21 64.51 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 -3.30 114.38 116.56 2x58 h ARG 448 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2x58 h ARG 448 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2x58 h ARG 448 CO 0.17 0.00 -0.56 0.66 -1.07 0.00 0.00 179.97 179.17 2x58 n TYR 449 N -4.30 0.00 -1.74 3.04 4.01 -1.26 -5.02 117.16 111.88 2x58 n TYR 449 Ca 0.06 0.00 -0.66 0.00 -0.16 0.00 0.00 57.90 57.14 2x58 n TYR 449 Cb 0.47 -0.04 -0.10 0.00 -0.31 0.00 0.00 39.34 39.37 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 -1.30 1.40 -4.80 7.72 7.64 -1.24 -4.17 113.62 118.87 2x58 n SER 450 Ca 0.00 1.17 -0.33 0.00 1.01 0.00 0.00 58.87 60.72 2x58 n SER 450 Cb 0.09 -0.92 -0.02 0.00 -1.01 0.00 0.00 64.21 62.35 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 3.09 6.13 0.53 6.43 1.04 -0.64 -4.88 113.70 125.41 2x58 s SER 451 Ca 1.04 1.85 0.28 0.00 0.48 0.00 0.00 55.95 59.60 2x58 s SER 451 Cb -1.43 -2.54 1.43 0.00 0.10 0.00 0.00 66.02 63.58 2x58 s SER 451 CO 0.79 -0.92 1.96 -0.65 0.98 0.00 0.00 173.24 175.40 2x58 h PRO 452 N 1.05 0.00 0.50 4.02 0.11 -1.91 -1.83 132.00 133.94 2x58 h PRO 452 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2x58 h PRO 452 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2x58 h PRO 452 CO 0.59 0.00 -0.24 1.15 -0.21 0.00 0.00 178.00 179.29 2x58 h THR 453 N 0.00 0.40 -0.89 -1.15 2.02 -1.92 -2.33 112.91 109.04 2x58 h THR 453 Ca 0.31 -0.39 0.10 0.00 0.77 0.00 0.00 66.41 67.20 2x58 h THR 453 Cb 1.27 0.54 -0.12 0.00 -1.74 0.00 0.00 68.15 68.10 2x58 h THR 453 CO -0.00 0.05 -0.53 0.74 0.37 0.00 0.00 175.52 176.15 2x58 h THR 454 N -0.94 0.01 -0.13 3.16 2.02 -1.63 0.24 112.91 115.63 2x58 h THR 454 Ca -0.07 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.16 2x58 h THR 454 Cb 0.60 0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 66.96 2x58 h THR 454 CO 0.11 0.00 -0.28 0.40 0.37 0.00 0.00 175.52 176.12 2x58 h ILE 455 N -0.07 0.35 -0.72 3.11 2.04 -1.46 -0.62 117.51 120.15 2x58 h ILE 455 Ca 0.19 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.98 2x58 h ILE 455 Cb 0.49 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2x58 h ILE 455 CO -0.88 0.00 0.18 0.00 0.00 0.00 0.00 178.15 177.44 2x58 h ALA 456 N 0.54 0.94 -0.34 1.87 0.00 -0.77 -1.13 119.26 120.38 2x58 h ALA 456 Ca 0.10 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2x58 h ALA 456 Cb 0.50 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2x58 h ALA 456 CO -0.33 0.67 0.08 1.15 0.00 0.00 0.00 179.25 180.81 2x58 h THR 457 N 1.08 0.85 -0.52 0.00 2.02 -0.16 0.35 112.91 116.52 2x58 h THR 457 Ca 0.23 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.27 2x58 h THR 457 Cb 0.37 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2x58 h THR 457 CO 0.00 0.04 0.06 0.58 0.37 0.00 0.00 175.52 176.57 2x58 h VAL 458 N 0.20 1.24 -0.08 3.16 2.07 -0.74 -1.11 116.25 120.98 2x58 h VAL 458 Ca 0.16 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2x58 h VAL 458 Cb 0.17 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2x58 h VAL 458 CO -0.20 0.34 0.01 0.24 0.02 0.00 0.00 177.57 177.98 2x58 h MET 459 N 0.80 0.14 -0.63 1.57 2.86 -0.82 -0.85 114.93 118.00 2x58 h MET 459 Ca 0.16 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 2x58 h MET 459 Cb 0.39 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 2x58 h MET 459 CO 0.01 0.38 0.18 1.03 1.06 0.00 0.00 176.91 179.57 2x58 h SER 460 N -0.12 0.91 0.04 1.22 0.87 -0.89 -2.36 113.55 113.22 2x58 h SER 460 Ca 0.02 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 2x58 h SER 460 Cb 0.32 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2x58 h SER 460 CO 0.00 0.86 -0.16 0.25 -0.53 0.00 0.00 176.83 177.26 2x58 h LEU 461 N 0.93 0.23 -0.51 2.23 5.85 -0.98 -2.09 115.31 120.97 2x58 h LEU 461 Ca 0.21 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.74 2x58 h LEU 461 Cb 0.29 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2x58 h LEU 461 CO -0.01 0.41 -0.64 0.77 -0.34 0.00 0.00 178.44 178.64 2x58 h SER 462 N 0.23 0.00 -0.32 1.25 4.64 -0.63 -2.56 113.55 116.16 2x58 h SER 462 Ca 0.04 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 2x58 h SER 462 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2x58 h SER 462 CO 0.03 0.64 -0.12 0.50 -0.87 0.00 0.00 176.83 177.00 2x58 h LYS 463 N 0.00 0.64 -0.51 4.77 3.64 -1.17 0.58 116.57 124.53 2x58 h LYS 463 Ca -0.01 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2x58 h LYS 463 Cb 1.25 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 2x58 h LYS 463 CO 0.08 0.84 0.29 -0.22 -2.27 0.00 0.00 179.45 178.18 2x58 h LYS 464 N 0.41 0.69 -0.56 1.90 3.64 -1.16 -1.36 116.57 120.12 2x58 h LYS 464 Ca 0.08 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2x58 h LYS 464 Cb 0.63 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2x58 h LYS 464 CO 0.04 0.49 0.00 0.44 -2.27 0.00 0.00 179.45 178.15 2x58 n ILE 465 N -4.42 1.01 -1.02 2.00 -5.35 -0.99 -4.92 119.36 105.67 2x58 n ILE 465 Ca 0.04 -0.71 -0.01 0.00 -0.27 0.00 0.00 62.75 61.81 2x58 n ILE 465 Cb 0.09 0.07 -0.00 0.00 -1.74 0.00 0.00 39.64 38.05 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 0.94 0.47 3.88 3.28 0.00 -0.51 -4.93 105.19 108.32 2x58 n GLY 466 Ca 0.16 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.39 2.81 -0.36 1.61 1.02 0.18 -4.90 119.74 118.71 2x58 s LYS 467 Ca 0.00 -1.24 -0.06 0.00 0.02 0.00 0.00 55.97 54.69 2x58 s LYS 467 Cb 0.00 -2.55 0.06 0.00 -0.52 0.00 0.00 37.83 34.82 2x58 s LYS 467 CO 0.00 0.08 0.14 0.42 -0.92 0.00 0.00 175.35 175.07 2x58 s ILE 468 N -2.28 3.75 0.03 2.17 1.01 0.22 -4.04 121.20 122.05 2x58 s ILE 468 Ca 0.42 -1.34 -0.25 0.00 0.00 0.00 0.00 60.65 59.48 2x58 s ILE 468 Cb -0.07 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 2x58 s ILE 468 CO 0.28 -0.31 0.77 -0.83 0.00 0.00 0.00 174.94 174.84 2x58 s GLY 469 N 1.61 2.78 -0.11 6.18 0.00 -1.26 -0.55 107.32 115.97 2x58 s GLY 469 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 44.72 45.03 2x58 s GLY 469 CO 0.01 1.12 -0.19 0.14 0.00 0.00 0.00 173.10 174.18 2x58 s VAL 470 N 0.04 1.77 -0.34 1.40 1.01 -0.34 -4.63 120.40 119.31 2x58 s VAL 470 Ca 0.39 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 2x58 s VAL 470 Cb -0.20 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.61 2x58 s VAL 470 CO 0.23 0.49 0.89 -0.69 0.00 0.00 0.00 175.10 176.02 2x58 s VAL 471 N 0.77 4.66 0.28 2.92 1.01 -1.26 -0.53 120.40 128.24 2x58 s VAL 471 Ca -0.10 1.22 0.05 0.00 0.00 0.00 0.00 61.98 63.15 2x58 s VAL 471 Cb -0.16 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 2x58 s VAL 471 CO 0.01 -0.43 -0.01 0.68 0.00 0.00 0.00 175.10 175.35 2x58 s VAL 472 N 3.30 1.35 0.88 2.92 -7.23 -0.11 -4.63 120.40 116.87 2x58 s VAL 472 Ca 0.36 -2.06 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 2x58 s VAL 472 Cb -0.13 -2.53 0.12 0.00 0.56 0.00 0.00 36.38 34.40 2x58 s VAL 472 CO 0.16 -0.21 1.09 -0.83 -0.31 0.00 0.00 175.10 175.00 2x58 s GLY 473 N -3.42 1.62 -1.09 2.32 0.00 0.29 -4.36 107.32 102.68 2x58 s GLY 473 Ca 0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 44.72 44.97 2x58 s GLY 473 CO 0.12 0.44 1.74 -2.01 0.00 0.00 0.00 173.10 173.39 2x58 n ASN 474 N -3.83 6.93 -4.91 1.64 5.15 -1.26 -4.70 115.26 114.28 2x58 n ASN 474 Ca 0.07 -3.51 -0.20 0.00 -0.60 0.00 0.00 54.58 50.34 2x58 n ASN 474 Cb 0.55 -1.24 -0.02 0.00 -0.53 0.00 0.00 39.78 38.54 2x58 n ASN 474 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2x58 n TYR 476 N -1.61 2.27 -0.77 0.00 9.36 -1.26 -0.60 117.16 124.56 2x58 n TYR 476 Ca 0.04 -0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.06 2x58 n TYR 476 Cb 0.61 -2.74 0.00 0.00 -0.63 0.00 0.00 39.34 36.58 2x58 n TYR 476 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2x58 n GLY 477 N 4.99 0.69 7.00 2.98 0.00 -1.26 -4.62 105.19 114.96 2x58 n GLY 477 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.56 0.00 -0.12 1.61 3.72 0.24 -1.71 117.46 118.64 2x58 n PHE 478 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 2x58 n PHE 478 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 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 1.53 0.26 -4.37 0.31 -1.26 -4.44 118.33 110.35 2x58 n VAL 479 Ca 0.00 -0.15 -0.11 0.00 -0.01 0.00 0.00 64.34 64.07 2x58 n VAL 479 Cb 0.00 -2.00 -0.05 0.00 -0.91 0.00 0.00 33.84 30.88 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 -1.00 -0.74 1.99 2.92 0.00 -1.98 -1.99 103.07 102.27 2x58 h GLY 480 Ca -0.47 0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2x58 h GLY 480 CO -0.28 -0.27 -0.26 3.43 0.00 0.00 0.00 176.54 179.16 2x58 h ASN 481 N -1.18 0.01 -0.46 0.19 2.35 -1.85 -1.72 115.58 112.91 2x58 h ASN 481 Ca -0.07 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 2x58 h ASN 481 Cb 0.55 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 2x58 h ASN 481 CO 0.12 0.26 0.05 -0.09 -1.65 0.00 0.00 177.43 176.12 2x58 h ARG 482 N 0.01 0.77 0.00 0.81 2.43 -1.36 -2.21 114.38 114.83 2x58 h ARG 482 Ca -0.00 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 58.88 2x58 h ARG 482 Cb 0.46 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2x58 h ARG 482 CO 0.03 0.81 -0.30 0.52 -1.51 0.00 0.00 179.97 179.52 2x58 h MET 483 N 0.63 0.00 0.00 0.20 2.86 -1.02 -3.08 114.93 114.52 2x58 h MET 483 Ca 0.14 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.69 2x58 h MET 483 Cb 0.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2x58 h MET 483 CO 0.01 0.30 -0.41 1.25 1.06 0.00 0.00 176.91 179.12 2x58 h LEU 484 N 0.00 0.00 0.19 1.22 5.85 -0.71 -3.34 115.31 118.52 2x58 h LEU 484 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2x58 h LEU 484 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2x58 h LEU 484 CO 0.04 0.41 -0.09 0.00 -0.34 0.00 0.00 178.44 178.46 2x58 h ALA 485 N 1.59 -0.26 -0.87 1.25 0.00 -1.40 -1.94 119.26 117.64 2x58 h ALA 485 Ca -0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2x58 h ALA 485 Cb 0.92 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2x58 h ALA 485 CO 0.05 -0.64 0.58 -1.35 0.00 0.00 0.00 179.25 177.89 2x58 h PRO 486 N -0.27 1.14 -0.25 0.00 0.11 -1.76 0.06 132.00 131.03 2x58 h PRO 486 Ca -0.03 -0.07 0.05 0.00 0.11 0.00 0.00 66.00 66.07 2x58 h PRO 486 Cb 0.21 -0.26 -0.05 0.00 0.11 0.00 0.00 31.00 31.00 2x58 h PRO 486 CO 0.04 0.76 -0.10 -0.92 -0.21 0.00 0.00 178.00 177.57 2x58 h TYR 487 N 1.18 -0.25 -0.47 0.65 3.20 -1.66 0.71 116.97 120.34 2x58 h TYR 487 Ca 0.32 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.10 2x58 h TYR 487 Cb -0.13 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2x58 h TYR 487 CO -0.00 -0.16 -0.17 1.88 -1.64 0.00 0.00 178.16 178.06 2x58 h TYR 488 N -0.07 1.07 -0.29 -3.82 0.05 -0.79 -2.87 116.97 110.26 2x58 h TYR 488 Ca 0.13 -0.25 0.02 0.00 0.05 0.00 0.00 58.73 58.68 2x58 h TYR 488 Cb 0.26 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 2x58 h TYR 488 CO -0.29 1.05 0.13 -0.91 -1.05 0.00 0.00 178.16 177.09 2x58 h ASN 489 N 0.79 0.18 -0.04 3.88 4.21 -0.69 -1.28 115.58 122.62 2x58 h ASN 489 Ca 0.11 0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.67 2x58 h ASN 489 Cb 0.74 -0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 37.89 2x58 h ASN 489 CO 0.06 0.14 -0.16 1.56 -1.29 0.00 0.00 177.43 177.74 2x58 h GLN 490 N 0.27 -0.23 -0.92 0.81 1.08 -0.83 0.33 115.11 115.61 2x58 h GLN 490 Ca 0.12 0.02 0.24 0.00 -1.45 0.00 0.00 58.65 57.58 2x58 h GLN 490 Cb 0.06 0.05 -0.13 0.00 -0.05 0.00 0.00 27.48 27.41 2x58 h GLN 490 CO -0.10 -0.16 0.42 0.78 -0.95 0.00 0.00 178.83 178.83 2x58 h GLY 491 N -0.24 1.64 0.71 3.46 0.00 -1.24 0.22 103.07 107.63 2x58 h GLY 491 Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2x58 h GLY 491 CO -0.18 -0.31 -0.00 0.74 0.00 0.00 0.00 176.54 176.78 2x58 h PHE 492 N 0.38 0.10 -0.19 5.60 0.04 -0.10 -2.15 116.94 120.62 2x58 h PHE 492 Ca 0.60 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.34 2x58 h PHE 492 Cb 1.19 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.30 2x58 h PHE 492 CO -0.12 0.38 0.09 0.74 -0.60 0.00 0.00 178.31 178.80 2x58 h PHE 493 N -0.22 0.25 -0.30 -0.55 0.04 0.44 -1.23 116.94 115.38 2x58 h PHE 493 Ca 0.01 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 2x58 h PHE 493 Cb 0.35 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2x58 h PHE 493 CO 0.04 0.19 -0.18 -0.07 -0.60 0.00 0.00 178.31 177.69 2x58 h LEU 494 N 0.26 0.67 -0.29 1.54 3.38 -0.39 0.29 115.31 120.77 2x58 h LEU 494 Ca 0.07 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.67 2x58 h LEU 494 Cb 0.03 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 2x58 h LEU 494 CO -0.01 0.95 -0.02 -0.07 0.09 0.00 0.00 178.44 179.38 2x58 h LEU 495 N 0.40 -0.16 -0.86 1.67 3.38 -0.70 -0.84 115.31 118.20 2x58 h LEU 495 Ca 0.06 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.16 2x58 h LEU 495 Cb 0.71 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 2x58 h LEU 495 CO 0.05 -0.05 0.54 -0.33 0.09 0.00 0.00 178.44 178.74 2x58 h GLU 496 N 0.06 0.96 -0.06 1.13 5.08 -1.05 -0.67 114.58 120.03 2x58 h GLU 496 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2x58 h GLU 496 Cb 0.19 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2x58 h GLU 496 CO -0.25 0.64 0.00 0.39 -1.00 0.00 0.00 179.01 178.79 2x58 n GLU 497 N -4.61 1.37 0.00 2.33 1.02 0.07 -4.86 120.64 115.96 2x58 n GLU 497 Ca 0.12 -0.55 0.00 0.00 -0.02 0.00 0.00 57.16 56.71 2x58 n GLU 497 Cb 0.17 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.01 0.63 3.48 0.62 0.00 -0.26 -2.66 105.19 108.01 2x58 n GLY 498 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 1.65 -4.33 1.61 2.88 -0.42 -4.76 113.62 110.26 2x58 n SER 499 Ca 0.00 -2.25 -0.23 0.00 -1.33 0.00 0.00 58.87 55.06 2x58 n SER 499 Cb 0.00 -0.45 -0.12 0.00 -0.75 0.00 0.00 64.21 62.90 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 -4.51 1.25 0.42 -1.46 1.02 -1.26 -4.45 119.74 110.74 2x58 s LYS 500 Ca 0.56 -1.35 0.22 0.00 0.02 0.00 0.00 55.97 55.42 2x58 s LYS 500 Cb -0.04 -1.37 1.20 0.00 -0.52 0.00 0.00 37.83 37.10 2x58 s LYS 500 CO 0.36 0.29 1.75 -1.00 -0.92 0.00 0.00 175.35 175.83 2x58 h PRO 501 N 3.46 0.29 0.00 -1.68 0.13 -1.96 -0.16 132.00 132.09 2x58 h PRO 501 Ca -0.43 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 2x58 h PRO 501 Cb 1.20 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2x58 h PRO 501 CO 0.48 0.19 -0.37 1.05 -0.23 0.00 0.00 178.00 179.12 2x58 h GLU 502 N 0.30 0.00 0.35 0.86 9.09 -1.98 -1.81 114.58 121.40 2x58 h GLU 502 Ca 0.63 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 60.03 2x58 h GLU 502 Cb 1.77 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.87 2x58 h GLU 502 CO -0.29 0.37 -0.17 -0.44 0.05 0.00 0.00 179.01 178.53 2x58 h ASP 503 N 0.00 -0.40 -0.11 3.06 3.32 -1.45 -2.34 116.42 118.49 2x58 h ASP 503 Ca -0.00 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.10 2x58 h ASP 503 Cb 0.95 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.54 2x58 h ASP 503 CO 0.05 -0.01 -0.35 0.58 -1.72 0.00 0.00 179.24 177.79 2x58 h VAL 504 N -1.04 0.24 -0.74 -1.35 2.07 -1.50 -0.32 116.25 113.62 2x58 h VAL 504 Ca -0.05 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.56 2x58 h VAL 504 Cb 0.36 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 2x58 h VAL 504 CO 0.08 0.00 0.49 0.44 0.02 0.00 0.00 177.57 178.60 2x58 h ASP 505 N -0.44 0.61 -0.25 0.57 5.19 -1.48 -2.48 116.42 118.15 2x58 h ASP 505 Ca 0.09 0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.38 2x58 h ASP 505 Cb 0.57 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.97 2x58 h ASP 505 CO -0.36 0.37 -0.34 1.23 -3.12 0.00 0.00 179.24 177.02 2x58 h GLY 506 N 0.68 0.74 1.00 2.75 0.00 -0.72 -0.39 103.07 107.13 2x58 h GLY 506 Ca 0.34 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2x58 h GLY 506 CO -0.12 0.73 -0.06 -2.08 0.00 0.00 0.00 176.54 175.00 2x58 h VAL 507 N 0.39 0.87 -0.24 4.60 2.07 -0.83 0.48 116.25 123.60 2x58 h VAL 507 Ca 0.03 -0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.42 2x58 h VAL 507 Cb 0.93 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2x58 h VAL 507 CO 0.08 0.00 -0.38 -0.07 0.02 0.00 0.00 177.57 177.22 2x58 h LEU 508 N -0.18 0.56 -1.52 2.57 3.38 -1.42 -1.00 115.31 117.71 2x58 h LEU 508 Ca -0.02 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 2x58 h LEU 508 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2x58 h LEU 508 CO 0.03 0.89 -0.17 -0.33 0.09 0.00 0.00 178.44 178.95 2x58 h GLU 509 N 0.45 0.09 -0.25 1.13 5.08 -0.88 -2.60 114.58 117.60 2x58 h GLU 509 Ca 0.04 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2x58 h GLU 509 Cb 0.87 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 2x58 h GLU 509 CO 0.07 0.27 -0.31 1.49 -1.00 0.00 0.00 179.01 179.53 2x58 h GLU 510 N 0.09 0.65 -0.56 2.33 4.81 0.26 -2.95 114.58 119.20 2x58 h GLU 510 Ca 0.02 -0.37 0.16 0.00 -0.13 0.00 0.00 59.36 59.04 2x58 h GLU 510 Cb 0.37 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2x58 h GLU 510 CO 0.02 0.98 0.53 0.35 -0.73 0.00 0.00 179.01 180.16 2x58 h PHE 511 N 0.36 0.00 0.00 0.92 3.57 -0.87 -3.45 116.94 117.48 2x58 h PHE 511 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 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 0.08 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.57 2x58 n GLY 512 N -1.56 0.95 3.77 2.40 0.00 -1.03 -4.90 105.19 104.81 2x58 n GLY 512 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.33 2.78 0.26 1.61 0.08 -1.04 -4.31 117.98 117.02 2x58 s PHE 513 Ca 0.00 1.10 -0.02 0.00 0.12 0.00 0.00 56.93 58.12 2x58 s PHE 513 Cb 0.00 -3.94 0.46 0.00 -0.57 0.00 0.00 43.02 38.97 2x58 s PHE 513 CO 0.00 -2.88 1.80 -0.22 -0.10 0.00 0.00 175.22 173.83 2x58 h LYS 514 N 3.83 0.77 -2.88 0.44 3.11 -1.90 -3.38 116.57 116.56 2x58 h LYS 514 Ca -0.49 -0.05 -0.16 0.00 -2.81 0.00 0.00 60.65 57.15 2x58 h LYS 514 Cb 1.23 -0.17 -0.28 0.00 -1.00 0.00 0.00 32.23 32.01 2x58 h LYS 514 CO 0.70 0.51 -0.39 1.41 -2.81 0.00 0.00 179.45 178.87 2x58 s MET 515 N -6.00 0.30 0.80 1.90 1.75 -1.26 -4.98 119.30 111.80 2x58 s MET 515 Ca -0.12 0.61 -0.11 0.00 -1.25 0.00 0.00 55.69 54.82 2x58 s MET 515 Cb 0.20 -0.04 0.07 0.00 2.84 0.00 0.00 34.83 37.91 2x58 s MET 515 CO 0.79 -0.14 1.09 0.20 -0.65 0.00 0.00 175.02 176.30 2x58 s GLY 516 N 1.12 1.65 0.16 2.11 0.00 -1.26 -4.82 107.32 106.28 2x58 s GLY 516 Ca -0.08 0.06 -0.24 0.00 0.00 0.00 0.00 44.72 44.46 2x58 s GLY 516 CO -0.09 0.45 1.60 -2.55 0.00 0.00 0.00 173.10 172.51 2x58 h PRO 517 N -1.16 -0.27 -0.70 2.90 0.11 -1.90 -2.31 132.00 128.67 2x58 h PRO 517 Ca -0.46 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 2x58 h PRO 517 Cb 1.25 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 2x58 h PRO 517 CO 0.55 -0.18 0.22 0.74 -0.21 0.00 0.00 178.00 179.12 2x58 h PHE 518 N -0.28 1.14 -0.84 0.65 0.04 -1.92 0.14 116.94 115.87 2x58 h PHE 518 Ca 0.16 -0.12 0.09 0.00 2.80 0.00 0.00 57.97 60.90 2x58 h PHE 518 Cb 0.54 -0.33 -0.07 0.00 2.20 0.00 0.00 35.95 38.29 2x58 h PHE 518 CO -0.51 0.91 0.48 0.00 -0.60 0.00 0.00 178.31 178.59 2x58 h ARG 519 N 1.04 0.79 -0.02 1.51 3.08 -1.81 -1.65 114.38 117.32 2x58 h ARG 519 Ca 0.23 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 2x58 h ARG 519 Cb 0.31 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2x58 h ARG 519 CO -0.01 0.52 -0.18 0.28 -1.07 0.00 0.00 179.97 179.52 2x58 h VAL 520 N 0.81 1.51 -0.60 2.04 2.07 -0.76 -1.78 116.25 119.55 2x58 h VAL 520 Ca 0.40 -1.76 0.12 0.00 0.82 0.00 0.00 66.70 66.28 2x58 h VAL 520 Cb 0.36 2.59 -0.10 0.00 -1.52 0.00 0.00 31.29 32.62 2x58 h VAL 520 CO -0.24 0.48 0.05 -1.28 0.02 0.00 0.00 177.57 176.60 2x58 h SER 521 N -0.47 -0.16 -0.60 0.57 0.87 -0.72 0.65 113.55 113.69 2x58 h SER 521 Ca -0.02 0.13 0.09 0.00 -1.23 0.00 0.00 61.79 60.77 2x58 h SER 521 Cb 0.88 0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 62.99 2x58 h SER 521 CO 0.04 -0.07 0.24 0.44 -0.53 0.00 0.00 176.83 176.95 2x58 h ASP 522 N 0.17 0.25 -0.45 6.23 5.19 -1.22 -2.06 116.42 124.53 2x58 h ASP 522 Ca 0.32 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.77 2x58 h ASP 522 Cb 0.50 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.03 2x58 h ASP 522 CO -0.47 0.15 0.21 -0.07 -3.12 0.00 0.00 179.24 175.95 2x58 h LEU 523 N 0.43 0.64 -0.47 1.55 -0.00 -0.04 -1.48 115.31 115.94 2x58 h LEU 523 Ca 0.30 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 2x58 h LEU 523 Cb 0.35 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 2x58 h LEU 523 CO -0.29 0.57 0.00 0.00 -0.00 0.00 0.00 178.44 178.72 2x58 h ALA 524 N 1.53 1.00 -0.42 1.53 0.00 -0.52 -3.46 119.26 118.93 2x58 h ALA 524 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2x58 h ALA 524 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2x58 h ALA 524 CO -0.02 0.00 -0.10 0.41 0.00 0.00 0.00 179.25 179.54 2x58 n GLY 525 N 0.71 -3.49 0.16 0.00 0.00 -0.63 -4.68 105.19 97.27 2x58 n GLY 525 Ca 0.03 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 0.31 0.00 -0.93 0.99 3.38 0.37 -3.20 115.31 116.23 2x58 h LEU 526 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 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 0.07 -2.24 0.09 0.00 0.00 178.44 176.36 2x58 h ASP 527 N 0.00 0.80 -0.14 -0.43 2.03 -1.90 -0.98 116.42 115.80 2x58 h ASP 527 Ca 0.00 -0.17 0.04 0.00 -0.73 0.00 0.00 57.03 56.17 2x58 h ASP 527 Cb 0.83 -0.21 -0.04 0.00 -0.83 0.00 0.00 39.33 39.07 2x58 h ASP 527 CO 0.00 0.83 -0.12 1.62 -1.03 0.00 0.00 179.24 180.54 2x58 h VAL 528 N 0.80 0.66 -0.48 4.15 3.04 -1.82 0.45 116.25 123.05 2x58 h VAL 528 Ca 0.16 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.79 2x58 h VAL 528 Cb 0.39 0.66 -0.02 0.00 -2.01 0.00 0.00 31.29 30.31 2x58 h VAL 528 CO 0.01 0.00 0.03 1.23 -1.01 0.00 0.00 177.57 177.83 2x58 h GLY 529 N -0.13 0.83 0.96 3.17 0.00 -1.72 -2.71 103.07 103.47 2x58 h GLY 529 Ca 0.09 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2x58 h GLY 529 CO -0.22 0.49 -0.12 -0.25 0.00 0.00 0.00 176.54 176.44 2x58 h TRP 530 N 0.72 -0.32 -0.35 5.60 7.01 -0.17 -1.29 115.95 127.15 2x58 h TRP 530 Ca 0.15 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.21 2x58 h TRP 530 Cb 0.40 0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 27.51 2x58 h TRP 530 CO 0.02 -0.20 -0.03 0.87 -2.79 0.00 0.00 178.44 176.32 2x58 h LYS 531 N -0.33 0.07 -0.34 2.65 1.57 -0.13 -1.04 116.57 119.02 2x58 h LYS 531 Ca -0.02 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2x58 h LYS 531 Cb 0.26 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.47 2x58 h LYS 531 CO 0.03 0.04 -0.31 0.82 -0.57 0.00 0.00 179.45 179.47 2x58 h ILE 532 N 0.07 0.26 -0.36 1.86 2.04 -1.16 -1.11 117.51 119.12 2x58 h ILE 532 Ca 0.17 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 2x58 h ILE 532 Cb 0.24 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2x58 h ILE 532 CO -0.31 0.00 0.10 0.03 0.00 0.00 0.00 178.15 177.97 2x58 h ARG 533 N -0.27 0.52 -0.82 2.37 3.08 -0.71 0.18 114.38 118.73 2x58 h ARG 533 Ca 0.16 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2x58 h ARG 533 Cb 0.53 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 2x58 h ARG 533 CO -0.49 0.47 0.42 0.87 -1.07 0.00 0.00 179.97 180.17 2x58 h LYS 534 N 0.51 1.15 -0.06 0.04 1.57 -0.35 -1.77 116.57 117.66 2x58 h LYS 534 Ca 0.12 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2x58 h LYS 534 Cb 0.18 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 2x58 h LYS 534 CO -0.01 0.86 -0.16 0.78 -0.57 0.00 0.00 179.45 180.36 2x58 h GLY 535 N 1.18 -0.15 0.35 3.86 0.00 0.54 -2.25 103.07 106.60 2x58 h GLY 535 Ca 0.29 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2x58 h GLY 535 CO -0.04 -0.15 0.00 -1.06 0.00 0.00 0.00 176.54 175.29 2x58 n GLN 536 N -5.29 0.47 -2.37 4.80 6.02 -0.79 -4.83 117.38 115.39 2x58 n GLN 536 Ca -0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.81 2x58 n GLN 536 Cb 0.21 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.30 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 -0.03 -0.17 0.02 1.08 0.00 -0.84 -4.94 105.19 100.30 2x58 n GLY 537 Ca 0.04 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.14 0.00 0.00 0.99 4.77 -0.68 -4.59 117.00 115.36 2x58 n LEU 538 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2x58 n LEU 538 Cb 0.61 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2x58 n LEU 538 CO 0.22 0.07 0.00 1.07 -1.33 0.00 0.00 177.39 177.42 2x58 n THR 539 N -2.32 0.00 -0.05 -5.08 5.66 -1.24 -4.98 114.28 106.27 2x58 n THR 539 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2x58 n THR 539 Cb 0.65 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 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 0.03 -2.93 0.00 1.09 0.00 -1.26 -4.77 105.19 97.34 2x58 n GLY 540 Ca 0.00 -1.29 0.08 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.39 0.14 -0.41 1.61 -0.02 -1.26 -3.20 135.00 131.46 2x58 n PRO 541 Ca 0.00 0.18 -0.04 0.00 -2.02 0.00 0.00 63.50 61.62 2x58 n PRO 541 Cb 0.00 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.09 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 -1.37 3.08 -4.52 2.55 3.41 -1.26 -4.89 113.62 110.61 2x58 n SER 542 Ca 0.06 -2.50 -0.43 0.00 -0.26 0.00 0.00 58.87 55.75 2x58 n SER 542 Cb 0.15 -0.60 -0.07 0.00 -0.26 0.00 0.00 64.21 63.42 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 -1.17 4.52 0.06 1.04 2.96 -1.19 -4.75 118.68 120.15 2x58 s LEU 543 Ca 0.22 -0.33 -0.27 0.00 -0.22 0.00 0.00 54.13 53.52 2x58 s LEU 543 Cb 0.17 -2.67 -0.15 0.00 0.50 0.00 0.00 46.19 44.05 2x58 s LEU 543 CO 0.05 -0.72 0.65 -2.65 -1.32 0.00 0.00 176.35 172.37 2x58 n PRO 544 N 6.12 0.00 -1.53 0.98 -0.02 -1.26 -4.56 135.00 134.72 2x58 n PRO 544 Ca -0.03 0.00 -0.58 0.00 -2.02 0.00 0.00 63.50 60.88 2x58 n PRO 544 Cb 0.48 -1.00 -0.09 0.00 -0.02 0.00 0.00 33.50 32.87 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 1.00 0.67 -3.51 0.52 -0.04 -1.26 -2.52 135.00 129.85 2x58 n PRO 545 Ca 0.15 0.22 -0.21 0.00 -0.04 0.00 0.00 63.50 63.62 2x58 n PRO 545 Cb 0.12 -1.96 0.08 0.00 -0.04 0.00 0.00 33.50 31.70 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 5.65 -0.46 3.76 0.55 0.00 -1.26 -5.01 105.19 108.42 2x58 n GLY 546 Ca 0.38 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.33 3.15 0.59 2.61 2.01 -1.05 -4.98 115.64 114.65 2x58 s THR 547 Ca 0.37 1.10 -0.19 0.00 0.31 0.00 0.00 61.69 63.28 2x58 s THR 547 Cb -0.17 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2x58 s THR 547 CO 0.71 0.24 1.25 -2.84 -0.69 0.00 0.00 174.62 173.29 2x58 s PRO 548 N -1.24 2.96 0.35 4.92 0.02 -1.26 -4.88 135.00 135.87 2x58 s PRO 548 Ca 0.49 1.94 0.06 0.00 0.02 0.00 0.00 61.00 63.51 2x58 s PRO 548 Cb -0.36 -1.99 0.73 0.00 0.02 0.00 0.00 34.50 32.90 2x58 s PRO 548 CO 0.45 -1.24 1.93 0.28 -0.33 0.00 0.00 177.00 178.08 2x58 h VAL 549 N 0.97 0.98 -0.36 3.83 2.07 -1.98 -3.16 116.25 118.60 2x58 h VAL 549 Ca -0.51 -0.27 -0.25 0.00 0.82 0.00 0.00 66.70 66.50 2x58 h VAL 549 Cb 1.30 0.13 -0.19 0.00 -1.52 0.00 0.00 31.29 31.02 2x58 h VAL 549 CO 0.55 0.14 -0.54 0.54 0.02 0.00 0.00 177.57 178.29 2x58 n ARG 550 N -4.50 2.43 -3.67 1.57 1.74 -1.26 -4.64 116.66 108.33 2x58 n ARG 550 Ca 0.13 -3.63 -0.15 0.00 -0.77 0.00 0.00 57.85 53.43 2x58 n ARG 550 Cb 0.29 -1.91 -0.08 0.00 -1.02 0.00 0.00 32.46 29.73 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 -3.40 0.76 -0.23 5.56 2.20 -1.20 -2.13 119.74 121.31 2x58 s LYS 551 Ca 0.44 0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 56.29 2x58 s LYS 551 Cb 0.39 0.36 0.08 0.00 -1.51 0.00 0.00 37.83 37.15 2x58 s LYS 551 CO -0.02 -0.19 0.09 1.03 -0.36 0.00 0.00 175.35 175.90 2x58 s ARG 552 N -0.71 0.33 7.00 4.03 1.81 0.30 -4.45 118.95 127.26 2x58 s ARG 552 Ca -0.08 -0.42 0.00 0.00 -1.72 0.00 0.00 55.73 53.51 2x58 s ARG 552 Cb -0.03 -1.73 0.00 0.00 -0.45 0.00 0.00 34.95 32.74 2x58 s ARG 552 CO 0.05 -0.80 0.00 0.41 -0.68 0.00 0.00 175.30 174.27 2x58 n GLY 553 N 5.16 3.87 0.02 -3.53 0.00 -1.26 -2.22 105.19 107.23 2x58 n GLY 553 Ca -0.07 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 6.67 0.34 -4.42 1.61 4.13 -1.26 -4.84 115.26 117.49 2x58 n ASN 554 Ca 0.00 0.19 -0.33 0.00 1.68 0.00 0.00 54.58 56.12 2x58 n ASN 554 Cb 0.00 -0.18 -0.14 0.00 -1.54 0.00 0.00 39.78 37.93 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 -3.28 4.09 0.36 6.41 0.15 -0.94 -4.73 113.70 115.75 2x58 s SER 555 Ca 0.12 -0.26 -0.24 0.00 0.70 0.00 0.00 55.95 56.26 2x58 s SER 555 Cb 0.17 -1.36 -0.13 0.00 -1.71 0.00 0.00 66.02 62.99 2x58 s SER 555 CO 0.62 0.23 0.65 -1.14 1.20 0.00 0.00 173.24 174.81 2x58 n ARG 556 N 3.08 0.68 -4.08 5.44 0.63 0.13 -0.54 116.66 122.00 2x58 n ARG 556 Ca -0.18 0.25 -0.14 0.00 -0.92 0.00 0.00 57.85 56.86 2x58 n ARG 556 Cb 0.53 -1.52 -0.12 0.00 0.45 0.00 0.00 32.46 31.79 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 -1.32 0.57 -0.27 -0.14 5.04 -0.91 -4.73 117.35 115.60 2x58 s TYR 557 Ca 0.62 -0.37 0.02 0.00 -2.44 0.00 0.00 57.07 54.90 2x58 s TYR 557 Cb -0.67 -0.35 0.05 0.00 0.35 0.00 0.00 41.96 41.35 2x58 s TYR 557 CO 0.58 -0.07 -0.09 0.45 -1.34 0.00 0.00 175.55 175.09 2x58 s SER 558 N -1.10 4.49 -0.04 4.32 0.15 -1.26 -4.32 113.70 115.93 2x58 s SER 558 Ca -0.07 -1.31 0.05 0.00 0.70 0.00 0.00 55.95 55.32 2x58 s SER 558 Cb -0.07 -1.59 0.20 0.00 -1.71 0.00 0.00 66.02 62.85 2x58 s SER 558 CO 0.00 -0.19 0.95 -0.81 1.20 0.00 0.00 173.24 174.39 2x58 n PRO 559 N 4.50 1.83 0.01 5.44 -0.05 -1.26 -4.35 135.00 141.11 2x58 n PRO 559 Ca -0.14 -0.79 -0.10 0.00 -0.05 0.00 0.00 63.50 62.42 2x58 n PRO 559 Cb 0.43 -1.50 -0.04 0.00 -0.05 0.00 0.00 33.50 32.34 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 1.10 -0.35 -0.52 1.53 3.38 -1.98 0.67 115.31 119.14 2x58 h LEU 560 Ca 0.00 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2x58 h LEU 560 Cb 0.66 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2x58 h LEU 560 CO 0.08 -0.16 0.28 1.23 0.09 0.00 0.00 178.44 179.96 2x58 h GLY 561 N -0.15 0.74 0.41 0.83 0.00 -2.00 0.32 103.07 103.21 2x58 h GLY 561 Ca 0.07 -0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.29 2x58 h GLY 561 CO -0.18 0.13 0.10 -0.55 0.00 0.00 0.00 176.54 176.04 2x58 h ASP 562 N 0.54 0.01 -0.20 0.19 3.32 -1.73 -1.44 116.42 117.11 2x58 h ASP 562 Ca 0.23 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.28 2x58 h ASP 562 Cb 0.12 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2x58 h ASP 562 CO -0.15 0.04 -0.17 0.24 -1.72 0.00 0.00 179.24 177.48 2x58 h MET 563 N 0.23 0.47 -0.88 3.56 2.86 -0.31 0.14 114.93 121.00 2x58 h MET 563 Ca 0.23 -0.24 0.18 0.00 -2.06 0.00 0.00 59.70 57.81 2x58 h MET 563 Cb 0.30 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.86 2x58 h MET 563 CO -0.30 0.81 0.45 -0.07 1.06 0.00 0.00 176.91 178.86 2x58 h LEU 564 N 0.15 0.51 -0.10 1.22 3.38 -0.83 -1.87 115.31 117.76 2x58 h LEU 564 Ca 0.03 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2x58 h LEU 564 Cb 0.71 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2x58 h LEU 564 CO 0.04 0.16 -0.06 0.00 0.09 0.00 0.00 178.44 178.68 2x58 n GLU 566 N -4.71 0.00 -0.27 0.00 1.02 0.44 -0.08 120.64 117.03 2x58 n GLU 566 Ca -0.07 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.12 2x58 n GLU 566 Cb 0.29 -1.39 0.06 0.00 -0.02 0.00 0.00 31.44 30.38 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 -0.83 2.08 -1.10 0.62 0.00 -0.99 -5.00 120.51 115.30 2x58 n ALA 567 Ca 0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 53.44 51.68 2x58 n ALA 567 Cb 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.67 0.51 3.53 0.00 0.00 0.88 -4.95 105.19 104.49 2x58 n GLY 568 Ca 0.07 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.70 3.36 0.00 1.61 0.52 -0.82 -4.86 118.95 117.06 2x58 s ARG 569 Ca 0.00 -0.21 0.05 0.00 -0.52 0.00 0.00 55.73 55.06 2x58 s ARG 569 Cb 0.00 -4.01 -0.01 0.00 0.52 0.00 0.00 34.95 31.45 2x58 s ARG 569 CO 0.00 -1.34 0.43 1.19 0.02 0.00 0.00 175.30 175.60 2x58 n PHE 570 N 7.14 0.00 0.00 -0.53 3.72 -0.09 -3.81 117.46 123.89 2x58 n PHE 570 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2x58 n PHE 570 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 0.77 0.33 0.24 1.37 0.00 -0.44 0.88 105.19 108.35 2x58 n GLY 571 Ca 0.02 -2.00 0.09 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.03 1.61 4.15 -1.66 -1.25 115.11 117.94 2x58 h GLN 572 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 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 0.16 -0.59 1.57 -1.93 0.00 0.00 178.83 178.03 2x58 h LYS 573 N 0.00 0.09 -0.24 1.69 2.10 -1.84 0.19 116.57 118.57 2x58 h LYS 573 Ca -0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2x58 h LYS 573 Cb 0.33 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2x58 h LYS 573 CO 0.02 0.66 0.00 0.25 -2.00 0.00 0.00 179.45 178.38 2x58 n THR 574 N -3.85 0.29 -0.67 0.07 -2.24 -1.12 -4.22 114.28 102.53 2x58 n THR 574 Ca -0.02 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2x58 n THR 574 Cb 0.60 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 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 1.43 1.52 3.22 3.38 0.00 -0.91 -4.61 105.19 109.21 2x58 n GLY 575 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.05 0.34 0.00 1.61 1.02 -0.52 -1.74 119.74 120.40 2x58 s LYS 576 Ca 0.00 0.75 0.00 0.00 0.02 0.00 0.00 55.97 56.74 2x58 s LYS 576 Cb 0.00 -0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 2x58 s LYS 576 CO 0.00 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 2x58 n GLY 577 N 4.37 2.22 0.11 -3.33 0.00 -1.26 -0.91 105.19 106.39 2x58 n GLY 577 Ca -0.22 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 0.26 -5.33 1.61 4.06 -1.93 -3.47 115.95 111.15 2x58 h TRP 578 Ca 0.00 -0.19 -0.36 0.00 2.06 0.00 0.00 58.89 60.40 2x58 h TRP 578 Cb 0.00 -0.01 0.05 0.00 -1.00 0.00 0.00 29.16 28.20 2x58 h TRP 578 CO 0.00 1.41 0.04 0.66 -3.56 0.00 0.00 178.44 177.00 2x58 n TYR 579 N -4.19 -2.85 -4.29 0.49 4.01 -1.26 -4.47 117.16 104.60 2x58 n TYR 579 Ca -0.23 -1.44 -0.20 0.00 -0.16 0.00 0.00 57.90 55.87 2x58 n TYR 579 Cb 0.76 -0.52 -0.11 0.00 -0.31 0.00 0.00 39.34 39.16 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 -4.33 1.15 0.11 -0.72 -2.07 -0.39 -4.62 119.66 108.79 2x58 s GLN 580 Ca 0.50 -1.32 0.05 0.00 -1.82 0.00 0.00 55.36 52.76 2x58 s GLN 580 Cb -0.03 -1.11 -0.04 0.00 -1.09 0.00 0.00 33.01 30.74 2x58 s GLN 580 CO 0.32 0.22 -0.13 0.71 -1.32 0.00 0.00 175.29 175.10 2x58 s TYR 581 N -2.11 1.26 0.31 9.60 1.51 -0.71 -1.22 117.35 125.99 2x58 s TYR 581 Ca 0.12 -0.57 0.09 0.00 -1.01 0.00 0.00 57.07 55.70 2x58 s TYR 581 Cb -0.05 -0.67 0.86 0.00 -0.11 0.00 0.00 41.96 41.98 2x58 s TYR 581 CO 0.05 0.08 1.73 0.38 -1.11 0.00 0.00 175.55 176.68 2x58 h ASP 582 N 3.66 0.65 -5.16 2.29 2.03 -1.83 -3.45 116.42 114.61 2x58 h ASP 582 Ca -0.39 0.13 -0.10 0.00 -0.73 0.00 0.00 57.03 55.94 2x58 h ASP 582 Cb 1.19 0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 39.71 2x58 h ASP 582 CO 0.50 0.11 0.14 -1.59 -1.03 0.00 0.00 179.24 177.36 2x58 s LYS 583 N -5.79 2.16 0.20 4.15 -2.85 -1.26 -5.04 119.74 111.31 2x58 s LYS 583 Ca -0.11 -1.56 -0.30 0.00 -1.00 0.00 0.00 55.97 53.00 2x58 s LYS 583 Cb 0.27 0.57 -0.08 0.00 -2.06 0.00 0.00 37.83 36.53 2x58 s LYS 583 CO 0.80 -0.98 1.18 -2.14 0.10 0.00 0.00 175.35 174.30 2x58 s PRO 584 N -2.47 4.51 -1.25 1.78 0.02 -1.26 -2.79 135.00 133.54 2x58 s PRO 584 Ca 0.20 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.09 2x58 s PRO 584 Cb -0.04 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.25 2x58 s PRO 584 CO 0.14 -0.04 0.00 1.28 -0.33 0.00 0.00 177.00 178.06 2x58 n LEU 585 N 2.26 -1.32 -4.93 -5.54 4.32 0.63 -4.88 117.00 107.54 2x58 n LEU 585 Ca 0.03 0.14 -0.26 0.00 -0.02 0.00 0.00 56.01 55.90 2x58 n LEU 585 Cb 0.45 -2.03 0.07 0.00 -1.62 0.00 0.00 43.42 40.29 2x58 n LEU 585 CO 0.55 -0.38 0.62 -0.83 -1.22 0.00 0.00 177.39 176.13 2x58 s GLY 586 N -2.61 1.67 -0.20 -0.72 0.00 -1.12 -5.05 107.32 99.30 2x58 s GLY 586 Ca 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 44.72 43.91 2x58 s GLY 586 CO 0.00 -0.48 -0.09 0.54 0.00 0.00 0.00 173.10 173.07 2x58 n ARG 587 N -2.92 0.81 -2.73 2.90 1.74 -1.26 -4.91 116.66 110.29 2x58 n ARG 587 Ca 0.08 0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.80 2x58 n ARG 587 Cb 0.60 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.57 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 -2.43 4.41 0.01 0.55 1.01 -1.26 -5.02 121.20 118.47 2x58 s ILE 588 Ca -0.21 1.07 -0.01 0.00 0.00 0.00 0.00 60.65 61.50 2x58 s ILE 588 Cb 0.07 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 2x58 s ILE 588 CO 0.59 -0.80 0.13 -1.38 0.00 0.00 0.00 174.94 173.48 2x58 s HIS 589 N 3.91 3.39 0.00 3.97 -3.43 -1.26 -2.76 115.29 119.12 2x58 s HIS 589 Ca 0.41 0.25 -0.08 0.00 -0.80 0.00 0.00 55.06 54.84 2x58 s HIS 589 Cb -0.10 -1.76 0.00 0.00 -1.43 0.00 0.00 32.58 29.30 2x58 s HIS 589 CO 0.26 0.59 0.16 0.15 -2.00 0.00 0.00 174.74 173.89 2x58 s LYS 590 N -1.98 0.52 0.55 -0.38 -0.14 -0.36 -4.98 119.74 112.97 2x58 s LYS 590 Ca 0.27 -0.40 -0.21 0.00 -1.36 0.00 0.00 55.97 54.26 2x58 s LYS 590 Cb -0.12 0.22 -0.05 0.00 -1.68 0.00 0.00 37.83 36.20 2x58 s LYS 590 CO 0.18 -0.13 1.35 -2.14 -0.76 0.00 0.00 175.35 173.85 2x58 s PRO 591 N -1.49 3.11 -0.17 -1.68 0.02 -1.26 -1.27 135.00 132.26 2x58 s PRO 591 Ca -0.14 2.21 -0.03 0.00 0.02 0.00 0.00 61.00 63.06 2x58 s PRO 591 Cb -0.07 -2.23 -0.02 0.00 0.02 0.00 0.00 34.50 32.20 2x58 s PRO 591 CO 0.01 -1.21 -0.05 0.34 -0.33 0.00 0.00 177.00 175.77 2x58 s ASP 592 N -1.00 4.55 0.47 2.53 -1.08 -1.26 -4.71 116.67 116.17 2x58 s ASP 592 Ca 0.72 -0.23 0.12 0.00 -0.52 0.00 0.00 52.55 52.65 2x58 s ASP 592 Cb -0.40 -1.75 1.08 0.00 -1.46 0.00 0.00 42.92 40.40 2x58 s ASP 592 CO 0.47 0.12 2.11 -0.65 0.52 0.00 0.00 175.17 177.73 2x58 h PRO 593 N 7.07 0.24 -0.79 4.34 0.11 -1.96 -2.30 132.00 138.70 2x58 h PRO 593 Ca -0.32 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.87 2x58 h PRO 593 Cb 1.19 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 2x58 h PRO 593 CO 0.60 0.16 0.52 2.35 -0.21 0.00 0.00 178.00 181.42 2x58 h TRP 594 N 0.24 0.76 -0.12 0.65 7.01 -1.98 -2.42 115.95 120.10 2x58 h TRP 594 Ca 0.07 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 60.95 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 0.35 -0.46 1.25 -2.79 0.00 0.00 178.44 176.79 2x58 h LEU 595 N 0.71 0.61 -0.41 0.65 5.85 -1.76 0.38 115.31 121.34 2x58 h LEU 595 Ca 0.37 -0.62 0.07 0.00 0.84 0.00 0.00 57.88 58.54 2x58 h LEU 595 Cb 0.48 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 2x58 h LEU 595 CO -0.14 1.13 0.02 0.28 -0.34 0.00 0.00 178.44 179.39 2x58 h SER 596 N 0.13 -0.13 -0.42 1.25 0.02 -1.47 0.64 113.55 113.57 2x58 h SER 596 Ca -0.02 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2x58 h SER 596 Cb 1.10 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 2x58 h SER 596 CO 0.10 -0.03 0.17 0.74 -1.14 0.00 0.00 176.83 176.67 2x58 h THR 597 N 0.13 1.19 -0.25 -2.27 2.02 -1.27 -0.78 112.91 111.69 2x58 h THR 597 Ca 0.20 -0.59 0.03 0.00 0.77 0.00 0.00 66.41 66.83 2x58 h THR 597 Cb 0.28 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2x58 h THR 597 CO -0.32 0.22 0.08 0.15 0.37 0.00 0.00 175.52 176.01 2x58 h PHE 598 N 0.53 0.14 0.27 3.16 3.57 0.11 -2.78 116.94 121.93 2x58 h PHE 598 Ca 0.14 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2x58 h PHE 598 Cb 0.17 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.89 2x58 h PHE 598 CO -0.00 0.06 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.94 2x58 h LEU 599 N 0.19 -0.30 -0.48 0.59 3.38 0.37 -2.87 115.31 116.18 2x58 h LEU 599 Ca 0.11 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2x58 h LEU 599 Cb 0.09 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2x58 h LEU 599 CO -0.12 -0.22 -0.28 -1.20 0.09 0.00 0.00 178.44 176.71 2x58 n SER 600 N -5.24 -0.51 0.13 -0.43 7.64 -0.31 -0.97 113.62 113.94 2x58 n SER 600 Ca -0.10 1.35 -0.01 0.00 1.01 0.00 0.00 58.87 61.13 2x58 n SER 600 Cb 0.16 -0.36 0.25 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.10 -0.97 1.43 3.07 -1.54 -1.32 115.11 115.90 2x58 h GLN 601 Ca 0.08 -0.05 0.05 0.00 0.09 0.00 0.00 58.65 58.81 2x58 h GLN 601 Cb 0.20 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.69 2x58 h GLN 601 CO -0.45 0.54 0.62 -0.92 0.09 0.00 0.00 178.83 178.72 2x58 h TYR 602 N 0.09 1.16 0.14 0.06 3.20 -1.09 -0.83 116.97 119.69 2x58 h TYR 602 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2x58 h TYR 602 Cb 0.84 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2x58 h TYR 602 CO 0.01 0.64 -0.07 0.00 -1.64 0.00 0.00 178.16 177.10 2x58 h ARG 603 N 1.17 -0.18 -0.62 1.82 3.08 0.02 -3.01 114.38 116.67 2x58 h ARG 603 Ca 0.40 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.58 2x58 h ARG 603 Cb 0.08 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.08 2x58 h ARG 603 CO -0.15 0.12 0.11 0.93 -1.07 0.00 0.00 179.97 179.91 2x58 h GLU 604 N -0.48 0.22 0.00 0.04 5.08 -1.03 0.03 114.58 118.44 2x58 h GLU 604 Ca -0.02 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2x58 h GLU 604 Cb 0.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2x58 h GLU 604 CO 0.03 0.15 -0.27 0.28 -1.00 0.00 0.00 179.01 178.19 2x58 h VAL 605 N 0.23 1.02 -0.31 3.13 2.07 -1.22 -3.02 116.25 118.14 2x58 h VAL 605 Ca 0.33 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2x58 h VAL 605 Cb 0.51 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2x58 h VAL 605 CO -0.44 0.27 0.00 1.41 0.02 0.00 0.00 177.57 178.82 2x58 n HIS 606 N -3.95 0.40 -3.63 1.57 8.25 -0.81 -5.00 115.22 112.05 2x58 n HIS 606 Ca -0.02 -0.32 -0.20 0.00 -0.26 0.00 0.00 57.72 56.92 2x58 n HIS 606 Cb 0.35 -0.01 0.05 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 0.87 -1.98 -3.63 4.41 -0.00 -0.07 -4.97 115.22 109.85 2x58 n HIS 607 Ca 0.13 0.85 -0.39 0.00 -0.00 0.00 0.00 57.72 58.32 2x58 n HIS 607 Cb 0.45 -4.51 -0.11 0.00 -0.00 0.00 0.00 29.99 25.81 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 -3.59 4.82 -0.11 1.59 1.01 -0.89 -5.05 121.20 118.97 2x58 s ILE 608 Ca 0.02 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 2x58 s ILE 608 Cb -0.01 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 2x58 s ILE 608 CO 0.79 0.11 1.43 -0.70 0.00 0.00 0.00 174.94 176.57 2x58 s GLU 609 N 1.66 4.22 -1.05 2.79 2.12 -1.26 -4.75 118.70 122.42 2x58 s GLU 609 Ca 0.05 1.90 -0.21 0.00 0.36 0.00 0.00 54.97 57.07 2x58 s GLU 609 Cb -0.17 -3.84 -0.09 0.00 0.26 0.00 0.00 34.13 30.29 2x58 s GLU 609 CO 0.08 -0.75 1.93 0.94 -0.54 0.00 0.00 175.26 176.91 2x58 n GLN 610 N 6.72 1.81 -1.54 4.30 0.00 -1.26 -4.74 117.38 122.66 2x58 n GLN 610 Ca 0.15 -2.32 -0.35 0.00 -0.00 0.00 0.00 57.00 54.49 2x58 n GLN 610 Cb 0.44 -3.35 0.08 0.00 0.00 0.00 0.00 30.24 27.41 2x58 n GLN 610 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2x58 s ARG 611 N 5.43 2.29 -0.17 3.69 0.52 -1.09 -4.96 118.95 124.68 2x58 s ARG 611 Ca 0.61 1.77 -0.24 0.00 -0.52 0.00 0.00 55.73 57.35 2x58 s ARG 611 Cb 0.07 -1.85 -0.02 0.00 0.52 0.00 0.00 34.95 33.67 2x58 s ARG 611 CO 0.11 -1.72 0.77 0.99 0.02 0.00 0.00 175.30 175.47 2x58 s THR 612 N -1.92 4.93 -0.27 0.02 2.01 -1.26 -4.54 115.64 114.61 2x58 s THR 612 Ca 0.75 1.50 -0.06 0.00 0.31 0.00 0.00 61.69 64.19 2x58 s THR 612 Cb -0.29 -4.08 -0.00 0.00 0.01 0.00 0.00 72.50 68.14 2x58 s THR 612 CO 0.43 0.07 0.05 -0.63 -0.69 0.00 0.00 174.62 173.85 2x58 s ILE 613 N 1.97 3.85 0.48 1.82 1.01 -1.26 -5.10 121.20 123.98 2x58 s ILE 613 Ca 0.36 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 60.24 2x58 s ILE 613 Cb -0.16 -2.91 -0.09 0.00 0.01 0.00 0.00 42.46 39.31 2x58 s ILE 613 CO 0.12 0.20 0.98 -0.94 0.00 0.00 0.00 174.94 175.31 2x58 s SER 614 N 1.51 6.65 0.23 3.58 1.04 -1.26 -4.90 113.70 120.55 2x58 s SER 614 Ca 0.04 1.70 -0.04 0.00 0.48 0.00 0.00 55.95 58.12 2x58 s SER 614 Cb -0.16 -2.53 0.44 0.00 0.10 0.00 0.00 66.02 63.87 2x58 s SER 614 CO 0.01 -0.57 1.25 1.17 0.98 0.00 0.00 173.24 176.08 2x58 n LYS 615 N -1.12 -0.07 -0.12 4.02 0.00 -1.26 -0.89 118.16 118.72 2x58 n LYS 615 Ca 0.07 1.23 -0.09 0.00 0.00 0.00 0.00 58.31 59.53 2x58 n LYS 615 Cb 0.54 -1.88 -0.01 0.00 0.00 0.00 0.00 35.03 33.68 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 0.53 -0.68 1.64 3.07 -1.99 -2.05 114.58 115.10 2x58 h GLU 616 Ca 0.42 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 59.17 2x58 h GLU 616 Cb 0.71 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 2x58 h GLU 616 CO -0.80 0.44 0.25 1.49 -1.40 0.00 0.00 179.01 178.98 2x58 h GLU 617 N 0.48 1.02 0.64 2.33 4.81 -1.38 -0.15 114.58 122.33 2x58 h GLU 617 Ca 0.13 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2x58 h GLU 617 Cb 0.07 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.29 2x58 h GLU 617 CO -0.02 0.85 -0.31 0.82 -0.73 0.00 0.00 179.01 179.62 2x58 h ILE 618 N 0.99 0.00 -0.95 2.32 2.04 -1.18 -1.80 117.51 118.93 2x58 h ILE 618 Ca 0.23 -0.10 0.19 0.00 1.00 0.00 0.00 64.86 66.17 2x58 h ILE 618 Cb 0.23 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.20 2x58 h ILE 618 CO -0.02 0.00 0.53 0.25 0.00 0.00 0.00 178.15 178.92 2x58 h LEU 619 N -0.97 0.64 -0.09 1.44 5.85 -1.35 -0.62 115.31 120.22 2x58 h LEU 619 Ca -0.09 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 2x58 h LEU 619 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2x58 h LEU 619 CO 0.14 0.20 -0.22 -0.33 -0.34 0.00 0.00 178.44 177.89 2x58 h GLU 620 N 0.65 0.31 -0.38 1.25 5.08 -1.00 -1.28 114.58 119.21 2x58 h GLU 620 Ca 0.56 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 2x58 h GLU 620 Cb 0.90 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2x58 h GLU 620 CO -0.41 0.82 -0.04 0.00 -1.00 0.00 0.00 179.01 178.39 2x58 h ARG 621 N -0.15 0.70 -0.23 2.33 3.08 -1.02 0.32 114.38 119.40 2x58 h ARG 621 Ca -0.00 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 2x58 h ARG 621 Cb 0.83 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 2x58 h ARG 621 CO 0.05 0.82 -0.02 0.00 -1.07 0.00 0.00 179.97 179.74 2x58 h LEU 623 N 0.17 0.55 -0.03 0.00 3.38 -1.17 -3.16 115.31 115.06 2x58 h LEU 623 Ca 0.06 -0.58 -0.19 0.00 0.09 0.00 0.00 57.88 57.26 2x58 h LEU 623 Cb 0.45 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2x58 h LEU 623 CO 0.02 1.45 -0.92 1.88 0.09 0.00 0.00 178.44 180.95 2x58 h TYR 624 N 0.11 0.00 -0.57 1.13 0.05 -0.43 -1.88 116.97 115.38 2x58 h TYR 624 Ca -0.16 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.59 2x58 h TYR 624 Cb 2.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.72 2x58 h TYR 624 CO 0.08 0.92 0.27 0.66 -1.05 0.00 0.00 178.16 179.05 2x58 h SER 625 N 0.00 0.74 -0.08 3.88 4.64 -1.56 0.69 113.55 121.86 2x58 h SER 625 Ca -0.01 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2x58 h SER 625 Cb 1.69 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2x58 h SER 625 CO 0.12 0.67 0.05 0.25 -0.87 0.00 0.00 176.83 177.05 2x58 h LEU 626 N 0.77 0.09 -1.06 5.97 6.46 -1.50 -1.48 115.31 124.55 2x58 h LEU 626 Ca 0.20 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.90 2x58 h LEU 626 Cb 0.12 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 2x58 h LEU 626 CO -0.02 0.06 0.05 0.40 -0.62 0.00 0.00 178.44 178.31 2x58 h ILE 627 N 0.11 1.22 -0.53 4.05 2.04 -1.16 -0.94 117.51 122.29 2x58 h ILE 627 Ca 0.03 -0.86 -0.10 0.00 1.00 0.00 0.00 64.86 64.93 2x58 h ILE 627 Cb -0.01 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2x58 h ILE 627 CO -0.01 0.31 -0.06 -1.13 0.00 0.00 0.00 178.15 177.26 2x58 h ASN 628 N 0.68 0.94 -0.38 1.72 -1.24 -0.58 -1.53 115.58 115.20 2x58 h ASN 628 Ca 0.14 -0.28 -0.09 0.00 0.71 0.00 0.00 56.30 56.79 2x58 h ASN 628 Cb 0.35 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 2x58 h ASN 628 CO 0.01 1.03 -0.07 -0.08 -1.29 0.00 0.00 177.43 177.03 2x58 h GLU 629 N 0.86 0.80 -0.34 6.67 4.57 -0.88 -1.57 114.58 124.69 2x58 h GLU 629 Ca 0.15 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2x58 h GLU 629 Cb 0.58 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 2x58 h GLU 629 CO 0.04 0.85 0.20 0.00 -1.18 0.00 0.00 179.01 178.91 2x58 h ALA 630 N 1.19 1.72 -0.18 2.92 0.00 -0.42 -0.52 119.26 123.97 2x58 h ALA 630 Ca 0.13 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 2x58 h ALA 630 Cb 0.54 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2x58 h ALA 630 CO 0.03 0.25 -0.64 0.74 0.00 0.00 0.00 179.25 179.63 2x58 h PHE 631 N 0.46 0.99 -0.24 0.00 0.04 -0.35 -2.22 116.94 115.62 2x58 h PHE 631 Ca 0.12 -0.41 0.03 0.00 2.80 0.00 0.00 57.97 60.51 2x58 h PHE 631 Cb -0.01 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 2x58 h PHE 631 CO 0.00 1.23 0.08 0.00 -0.60 0.00 0.00 178.31 179.01 2x58 h ARG 632 N 0.47 0.18 -0.61 1.51 3.08 -1.01 -0.60 114.38 117.40 2x58 h ARG 632 Ca -0.03 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.13 2x58 h ARG 632 Cb 1.26 -0.04 -0.12 0.00 0.08 0.00 0.00 29.97 31.16 2x58 h ARG 632 CO 0.13 0.12 -0.16 0.82 -1.07 0.00 0.00 179.97 179.81 2x58 h ILE 633 N 0.18 0.38 -0.58 2.04 2.04 -0.90 0.11 117.51 120.79 2x58 h ILE 633 Ca 0.11 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 2x58 h ILE 633 Cb 0.08 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 2x58 h ILE 633 CO -0.12 0.00 0.22 -0.07 0.00 0.00 0.00 178.15 178.18 2x58 h LEU 634 N -0.01 0.81 -0.79 1.44 3.38 -0.93 -0.89 115.31 118.32 2x58 h LEU 634 Ca 0.29 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.18 2x58 h LEU 634 Cb 0.45 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 2x58 h LEU 634 CO -0.63 0.77 0.43 -0.08 0.09 0.00 0.00 178.44 179.03 2x58 h GLU 635 N 0.80 0.70 -0.00 1.13 4.57 0.10 -1.31 114.58 120.56 2x58 h GLU 635 Ca 0.19 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2x58 h GLU 635 Cb 0.23 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2x58 h GLU 635 CO -0.01 0.46 -0.02 0.39 -1.18 0.00 0.00 179.01 178.65 2x58 n GLU 636 N -4.79 0.95 -1.09 1.92 1.02 0.25 -4.61 120.64 114.29 2x58 n GLU 636 Ca 0.13 -0.20 -0.03 0.00 -0.02 0.00 0.00 57.16 57.04 2x58 n GLU 636 Cb 0.29 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 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 1.13 0.54 0.00 0.62 0.00 -0.50 -4.89 105.19 102.09 2x58 n GLY 637 Ca 0.20 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.53 0.06 -4.01 1.61 2.81 -0.38 -4.62 117.12 111.06 2x58 n MET 638 Ca -0.03 0.15 -0.09 0.00 -1.81 0.00 0.00 57.70 55.92 2x58 n MET 638 Cb 0.28 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.18 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 -2.92 0.24 0.17 3.04 0.00 -1.25 -0.55 121.76 120.50 2x58 s ALA 639 Ca 0.11 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.38 2x58 s ALA 639 Cb 0.13 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 2x58 s ALA 639 CO 0.34 -0.19 1.38 0.00 0.00 0.00 0.00 175.76 177.29 2x58 h ALA 640 N 4.31 0.53 -2.65 0.00 0.00 -1.82 -3.43 119.26 116.20 2x58 h ALA 640 Ca -0.33 -0.75 0.03 0.00 0.00 0.00 0.00 54.91 53.86 2x58 h ALA 640 Cb 1.19 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 2x58 h ALA 640 CO 0.46 0.97 0.32 -0.98 0.00 0.00 0.00 179.25 180.02 2x58 s ARG 641 N -3.13 1.09 0.49 0.00 1.70 -1.26 -5.03 118.95 112.81 2x58 s ARG 641 Ca -0.02 -0.35 0.21 0.00 -0.47 0.00 0.00 55.73 55.10 2x58 s ARG 641 Cb 0.10 0.50 1.25 0.00 -0.57 0.00 0.00 34.95 36.24 2x58 s ARG 641 CO 0.82 -0.47 2.05 -1.00 -1.08 0.00 0.00 175.30 175.62 2x58 h PRO 642 N 2.07 0.00 -0.83 3.89 0.13 -1.92 -2.38 132.00 132.97 2x58 h PRO 642 Ca -0.29 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.85 2x58 h PRO 642 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 2x58 h PRO 642 CO 0.35 0.14 0.55 0.93 -0.23 0.00 0.00 178.00 179.74 2x58 h GLU 643 N 0.00 1.07 -0.93 0.86 3.07 -1.96 -1.56 114.58 115.12 2x58 h GLU 643 Ca -0.00 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.83 2x58 h GLU 643 Cb 0.29 -0.24 -0.05 0.00 -0.84 0.00 0.00 28.75 27.91 2x58 h GLU 643 CO 0.02 0.71 0.61 0.45 -1.40 0.00 0.00 179.01 179.39 2x58 h HIS 644 N 1.10 1.14 -0.42 4.33 3.86 -1.72 0.15 115.15 123.60 2x58 h HIS 644 Ca 0.31 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.51 2x58 h HIS 644 Cb -0.09 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 27.98 2x58 h HIS 644 CO -0.00 0.67 0.11 0.82 0.86 0.00 0.00 177.93 180.39 2x58 h ILE 645 N 1.19 1.23 -0.54 2.45 2.04 -1.42 -0.70 117.51 121.75 2x58 h ILE 645 Ca 0.37 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 2x58 h ILE 645 Cb -0.02 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2x58 h ILE 645 CO -0.12 0.27 0.11 0.44 0.00 0.00 0.00 178.15 178.85 2x58 h ASP 646 N 0.54 0.80 -0.18 1.72 3.32 -0.66 -1.16 116.42 120.80 2x58 h ASP 646 Ca 0.13 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.04 2x58 h ASP 646 Cb 0.29 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2x58 h ASP 646 CO -0.00 0.80 0.07 0.58 -1.72 0.00 0.00 179.24 178.97 2x58 h VAL 647 N 0.81 0.97 -0.45 -1.35 2.07 -0.37 0.68 116.25 118.61 2x58 h VAL 647 Ca 0.17 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.72 2x58 h VAL 647 Cb 0.33 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 2x58 h VAL 647 CO 0.00 0.03 -0.02 0.40 0.02 0.00 0.00 177.57 178.00 2x58 h ILE 648 N 0.16 0.63 -0.04 4.57 2.04 -0.79 -2.19 117.51 121.90 2x58 h ILE 648 Ca 0.08 -0.03 -0.13 0.00 1.00 0.00 0.00 64.86 65.77 2x58 h ILE 648 Cb 0.04 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2x58 h ILE 648 CO -0.07 0.02 -0.59 1.88 0.00 0.00 0.00 178.15 179.38 2x58 h TYR 649 N 0.09 0.17 -0.43 1.37 -1.99 -0.85 0.19 116.97 115.52 2x58 h TYR 649 Ca 0.22 -0.06 -0.06 0.00 2.00 0.00 0.00 58.73 60.82 2x58 h TYR 649 Cb 0.33 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.01 2x58 h TYR 649 CO -0.31 0.69 0.02 -0.07 -0.00 0.00 0.00 178.16 178.49 2x58 h LEU 650 N 0.10 0.73 0.00 3.88 3.38 -0.78 -1.81 115.31 120.81 2x58 h LEU 650 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2x58 h LEU 650 Cb 1.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2x58 h LEU 650 CO 0.08 0.85 -1.42 1.41 0.09 0.00 0.00 178.44 179.45 2x58 n HIS 651 N -4.43 0.00 -0.04 1.13 8.25 -0.83 -3.80 115.22 115.50 2x58 n HIS 651 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2x58 n HIS 651 Cb 0.28 -0.23 -0.12 0.00 1.12 0.00 0.00 29.99 31.04 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 1.41 -0.75 0.20 -1.41 0.00 0.63 -3.79 105.19 101.48 2x58 n GLY 652 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.32 0.00 -3.71 1.61 4.02 -1.17 -4.97 117.16 110.61 2x58 n TYR 653 Ca -0.14 -0.39 -0.28 0.00 -0.01 0.00 0.00 57.90 57.08 2x58 n TYR 653 Cb 0.71 -0.07 0.01 0.00 -0.02 0.00 0.00 39.34 39.97 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 -0.53 -0.49 3.72 2.72 0.00 -1.19 -4.92 105.19 104.51 2x58 n GLY 654 Ca 0.05 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.39 2.58 -1.69 1.61 -0.00 -0.69 -4.10 117.44 110.76 2x58 n TRP 655 Ca 0.02 0.35 -0.42 0.00 -0.00 0.00 0.00 57.50 57.45 2x58 n TRP 655 Cb 0.53 -2.53 -0.03 0.00 -0.00 0.00 0.00 31.31 29.28 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 -0.68 4.14 0.47 5.87 0.04 -1.26 -4.70 135.00 138.88 2x58 s PRO 656 Ca 0.64 2.59 0.19 0.00 0.04 0.00 0.00 61.00 64.47 2x58 s PRO 656 Cb -0.55 -4.16 1.18 0.00 0.04 0.00 0.00 34.50 31.01 2x58 s PRO 656 CO 0.51 -0.96 1.95 -0.09 0.04 0.00 0.00 177.00 178.45 2x58 h ARG 657 N 10.58 0.25 -0.09 4.56 2.43 -1.91 -0.48 114.38 129.72 2x58 h ARG 657 Ca -0.49 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2x58 h ARG 657 Cb 1.24 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2x58 h ARG 657 CO 0.94 0.16 0.00 -2.39 -1.51 0.00 0.00 179.97 177.17 2x58 n HIS 658 N -4.44 0.12 -1.17 2.20 1.44 -1.26 -2.26 115.22 109.85 2x58 n HIS 658 Ca 0.12 -0.06 0.08 0.00 -2.01 0.00 0.00 57.72 55.86 2x58 n HIS 658 Cb 0.55 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.77 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 -0.28 1.14 0.00 -1.40 5.02 -0.19 -4.63 118.16 117.82 2x58 n LYS 659 Ca 0.07 -2.30 0.00 0.00 -2.02 0.00 0.00 58.31 54.06 2x58 n LYS 659 Cb 0.11 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.19 1.06 0.00 0.72 0.00 -0.96 -4.04 105.19 100.79 2x58 n GLY 660 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 3.65 0.24 -0.02 0.00 -1.26 -4.70 105.19 103.11 2x58 n GLY 661 Ca 0.00 -1.65 0.05 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 0.09 -0.05 1.61 0.13 -1.88 -0.33 132.00 131.58 2x58 h PRO 662 Ca 0.00 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.06 2x58 h PRO 662 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.12 2x58 h PRO 662 CO 0.00 0.18 -0.21 0.52 -0.23 0.00 0.00 178.00 178.26 2x58 h MET 663 N 0.09 0.22 -0.57 0.86 2.86 -1.92 -1.56 114.93 114.90 2x58 h MET 663 Ca 0.02 -0.18 0.11 0.00 -2.06 0.00 0.00 59.70 57.59 2x58 h MET 663 Cb 0.20 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.81 2x58 h MET 663 CO 0.01 0.83 0.07 0.35 1.06 0.00 0.00 176.91 179.23 2x58 h PHE 664 N -0.33 0.10 -0.33 -0.22 3.04 -1.85 -2.12 116.94 115.23 2x58 h PHE 664 Ca -0.01 0.04 0.01 0.00 3.98 0.00 0.00 57.97 61.98 2x58 h PHE 664 Cb 0.86 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 2x58 h PHE 664 CO 0.14 -0.07 0.20 -0.92 -2.02 0.00 0.00 178.31 175.64 2x58 h TYR 665 N 0.19 0.38 -0.96 0.41 3.20 -0.97 -1.20 116.97 118.03 2x58 h TYR 665 Ca 0.29 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.22 2x58 h TYR 665 Cb 0.45 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 2x58 h TYR 665 CO -0.28 0.23 0.63 0.00 -1.64 0.00 0.00 178.16 177.09 2x58 h ALA 666 N 1.14 1.28 -0.72 1.82 0.00 -0.88 -1.01 119.26 120.89 2x58 h ALA 666 Ca 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2x58 h ALA 666 Cb -0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 2x58 h ALA 666 CO -0.05 0.49 0.19 0.00 0.00 0.00 0.00 179.25 179.88 2x58 h ALA 667 N 1.40 0.97 -0.53 0.00 0.00 -0.70 -0.70 119.26 119.70 2x58 h ALA 667 Ca 0.39 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2x58 h ALA 667 Cb 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2x58 h ALA 667 CO -0.13 0.67 -0.10 0.66 0.00 0.00 0.00 179.25 180.35 2x58 h SER 668 N 1.09 1.01 0.18 0.00 4.64 -0.31 -1.30 113.55 118.85 2x58 h SER 668 Ca 0.23 -0.35 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 2x58 h SER 668 Cb 0.35 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 2x58 h SER 668 CO -0.00 1.13 -0.26 0.58 -0.87 0.00 0.00 176.83 177.41 2x58 h VAL 669 N 0.88 1.22 -0.02 0.95 2.07 -1.10 -3.49 116.25 116.77 2x58 h VAL 669 Ca 0.14 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2x58 h VAL 669 Cb 0.67 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2x58 h VAL 669 CO 0.05 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.56 2x58 n GLY 670 N -0.64 1.36 0.37 2.17 0.00 -0.28 -4.67 105.19 103.49 2x58 n GLY 670 Ca -0.01 -1.27 0.08 0.00 0.00 0.00 0.00 46.02 44.81 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 0.82 -1.07 0.99 3.38 -1.78 -0.94 115.31 116.72 2x58 h LEU 671 Ca 0.00 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2x58 h LEU 671 Cb 0.00 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2x58 h LEU 671 CO 0.00 0.45 0.63 -0.65 0.09 0.00 0.00 178.44 178.96 2x58 h PRO 672 N 0.89 1.19 -0.17 1.13 0.11 -1.94 0.11 132.00 133.32 2x58 h PRO 672 Ca 0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.47 2x58 h PRO 672 Cb 0.50 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 2x58 h PRO 672 CO -0.21 0.79 0.04 1.15 -0.21 0.00 0.00 178.00 179.55 2x58 h THR 673 N 1.22 1.20 -0.63 -1.15 2.02 -1.49 -1.11 112.91 112.99 2x58 h THR 673 Ca 0.37 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.95 2x58 h THR 673 Cb -0.02 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 2x58 h THR 673 CO -0.11 0.20 0.38 0.58 0.37 0.00 0.00 175.52 176.93 2x58 h VAL 674 N 0.08 1.05 0.35 3.16 2.07 -0.70 -0.48 116.25 121.79 2x58 h VAL 674 Ca 0.05 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2x58 h VAL 674 Cb 0.26 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2x58 h VAL 674 CO 0.00 0.13 -0.21 0.25 0.02 0.00 0.00 177.57 177.76 2x58 h LEU 675 N 0.73 -0.53 -0.46 2.57 6.46 -0.68 -1.56 115.31 121.84 2x58 h LEU 675 Ca 0.26 0.03 0.09 0.00 -0.12 0.00 0.00 57.88 58.14 2x58 h LEU 675 Cb 0.05 0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 40.06 2x58 h LEU 675 CO -0.12 -0.34 -0.07 -0.08 -0.62 0.00 0.00 178.44 177.21 2x58 h GLU 676 N -0.54 0.04 -0.34 1.25 4.57 -0.90 -0.95 114.58 117.71 2x58 h GLU 676 Ca -0.04 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.02 2x58 h GLU 676 Cb 0.44 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2x58 h GLU 676 CO 0.04 0.03 -0.29 0.87 -1.18 0.00 0.00 179.01 178.48 2x58 h LYS 677 N 0.04 0.70 -0.57 1.92 1.79 -0.85 -1.34 116.57 118.27 2x58 h LYS 677 Ca 0.23 -0.31 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 2x58 h LYS 677 Cb 0.34 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2x58 h LYS 677 CO -0.44 0.91 0.19 -0.07 -1.08 0.00 0.00 179.45 178.96 2x58 h LEU 678 N 0.60 0.81 -0.88 2.94 3.38 -0.88 -2.06 115.31 119.23 2x58 h LEU 678 Ca 0.07 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2x58 h LEU 678 Cb 0.80 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 2x58 h LEU 678 CO 0.07 0.79 0.54 1.56 0.09 0.00 0.00 178.44 181.49 2x58 h GLN 679 N 0.79 0.94 0.62 1.13 4.20 -0.89 -0.25 115.11 121.64 2x58 h GLN 679 Ca 0.18 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 2x58 h GLN 679 Cb 0.26 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 27.83 2x58 h GLN 679 CO -0.01 0.62 -0.30 -0.22 -0.67 0.00 0.00 178.83 178.25 2x58 h LYS 680 N 0.97 -0.80 -0.69 1.46 3.64 -1.02 -1.97 116.57 118.15 2x58 h LYS 680 Ca 0.39 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 2x58 h LYS 680 Cb 0.23 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 2x58 h LYS 680 CO -0.19 -0.49 0.37 1.88 -2.27 0.00 0.00 179.45 178.75 2x58 h TYR 681 N -1.00 0.95 -0.06 1.91 0.05 -1.13 0.61 116.97 118.29 2x58 h TYR 681 Ca -0.09 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.57 2x58 h TYR 681 Cb 0.68 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 2x58 h TYR 681 CO -0.01 0.67 -0.43 -0.92 -1.05 0.00 0.00 178.16 176.42 2x58 h TYR 682 N 0.97 0.15 -0.09 4.88 3.20 -1.10 0.11 116.97 125.09 2x58 h TYR 682 Ca 0.25 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2x58 h TYR 682 Cb 0.04 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2x58 h TYR 682 CO 0.01 0.54 0.01 -0.09 -1.64 0.00 0.00 178.16 176.99 2x58 h ARG 683 N 0.11 0.16 0.00 1.82 2.43 -0.16 -2.50 114.38 116.24 2x58 h ARG 683 Ca 0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2x58 h ARG 683 Cb 0.81 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2x58 h ARG 683 CO 0.06 0.39 -0.06 1.96 -1.51 0.00 0.00 179.97 180.81 2x58 h GLN 684 N -0.09 0.00 -2.30 0.20 4.20 -0.87 -3.34 115.11 112.91 2x58 h GLN 684 Ca 0.03 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.15 2x58 h GLN 684 Cb 0.31 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.69 2x58 h GLN 684 CO 0.00 0.06 -0.92 0.09 -0.67 0.00 0.00 178.83 177.39 2x58 n ASN 685 N -3.26 0.78 0.06 1.46 3.02 0.38 -4.98 115.26 112.71 2x58 n ASN 685 Ca -0.01 -2.74 0.07 0.00 -0.03 0.00 0.00 54.58 51.87 2x58 n ASN 685 Cb 0.26 -0.63 0.33 0.00 -0.61 0.00 0.00 39.78 39.14 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 1.93 0.07 -0.13 3.52 -0.04 -0.95 -2.32 135.00 137.08 2x58 n PRO 686 Ca 0.25 0.40 0.08 0.00 -0.04 0.00 0.00 63.50 64.20 2x58 n PRO 686 Cb 0.47 -1.67 0.27 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.81 1.85 -3.93 3.54 5.75 -1.26 -4.48 116.55 116.20 2x58 n ASP 687 Ca 0.02 -1.85 -0.32 0.00 -0.01 0.00 0.00 54.79 52.62 2x58 n ASP 687 Cb 0.13 -0.18 -0.08 0.00 -1.03 0.00 0.00 41.12 39.96 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 0.47 2.54 0.29 2.12 5.41 -0.98 -0.69 119.36 128.51 2x58 n ILE 688 Ca 0.14 -5.08 0.18 0.00 1.00 0.00 0.00 62.75 58.99 2x58 n ILE 688 Cb 0.33 -2.26 0.98 0.00 -0.71 0.00 0.00 39.64 37.98 2x58 n ILE 688 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2x58 h PRO 689 N 5.48 0.00 -0.55 0.38 0.13 -1.85 -0.49 132.00 135.10 2x58 h PRO 689 Ca 0.17 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.33 2x58 h PRO 689 Cb 0.76 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.86 2x58 h PRO 689 CO 0.83 0.00 0.36 0.37 -0.23 0.00 0.00 178.00 179.33 2x58 h GLN 690 N 0.00 0.62 0.00 0.86 -0.00 -1.96 -1.58 115.11 113.04 2x58 h GLN 690 Ca 0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2x58 h GLN 690 Cb 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.55 2x58 h GLN 690 CO -0.00 0.41 0.00 -0.07 0.00 0.00 0.00 178.83 179.17 2x58 h LEU 691 N 0.63 0.00 -9.44 -2.39 3.38 -1.46 -3.45 115.31 102.59 2x58 h LEU 691 Ca 0.22 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.61 2x58 h LEU 691 Cb 0.08 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.87 2x58 h LEU 691 CO -0.06 0.00 0.97 1.21 0.09 0.00 0.00 178.44 180.66 2x58 n GLU 692 N -3.01 2.33 -1.64 1.13 2.13 -0.60 -4.66 120.64 116.32 2x58 n GLU 692 Ca 0.01 0.85 -0.51 0.00 0.66 0.00 0.00 57.16 58.16 2x58 n GLU 692 Cb 0.32 -2.67 -0.06 0.00 0.27 0.00 0.00 31.44 29.30 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 4.97 1.48 -1.61 5.31 -0.02 -1.26 -4.90 135.00 138.97 2x58 n PRO 693 Ca 0.19 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 2x58 n PRO 693 Cb 0.31 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 3.74 1.39 -0.20 2.55 2.88 -1.26 -4.85 113.62 117.87 2x58 n SER 694 Ca 0.20 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 2x58 n SER 694 Cb 0.21 -1.35 0.11 0.00 -0.75 0.00 0.00 64.21 62.43 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 1.72 0.15 -0.88 -3.46 3.32 -1.94 -1.99 116.42 113.34 2x58 h ASP 695 Ca -0.44 0.09 0.16 0.00 0.02 0.00 0.00 57.03 56.86 2x58 h ASP 695 Cb 1.33 0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.90 2x58 h ASP 695 CO 0.58 0.09 0.57 0.22 -1.72 0.00 0.00 179.24 178.98 2x58 h TYR 696 N 0.36 0.74 0.00 4.55 3.20 -1.91 -0.21 116.97 123.69 2x58 h TYR 696 Ca 0.31 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 2x58 h TYR 696 Cb 0.41 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2x58 h TYR 696 CO -0.19 0.25 -0.00 1.25 -1.64 0.00 0.00 178.16 177.83 2x58 h LEU 697 N 0.60 -0.00 -0.76 2.82 5.85 -1.74 -2.66 115.31 119.42 2x58 h LEU 697 Ca 0.45 -0.66 0.18 0.00 0.84 0.00 0.00 57.88 58.69 2x58 h LEU 697 Cb 0.84 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.75 2x58 h LEU 697 CO -0.20 0.66 0.14 0.03 -0.34 0.00 0.00 178.44 178.73 2x58 h ARG 698 N -0.67 0.21 -0.06 1.25 3.08 -0.56 -1.89 114.38 115.73 2x58 h ARG 698 Ca -0.00 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 2x58 h ARG 698 Cb 0.66 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2x58 h ARG 698 CO 0.00 0.14 -0.52 0.00 -1.07 0.00 0.00 179.97 178.52 2x58 h ARG 699 N 0.21 0.17 -0.19 0.04 3.08 -1.10 0.28 114.38 116.87 2x58 h ARG 699 Ca 0.44 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 2x58 h ARG 699 Cb 0.78 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 2x58 h ARG 699 CO -0.57 0.66 -0.03 -0.07 -1.07 0.00 0.00 179.97 178.88 2x58 h LEU 700 N 0.14 0.36 -1.13 3.04 3.38 -1.00 -1.55 115.31 118.55 2x58 h LEU 700 Ca 0.00 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 2x58 h LEU 700 Cb 0.97 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2x58 h LEU 700 CO 0.08 0.63 -0.15 0.58 0.09 0.00 0.00 178.44 179.67 2x58 h VAL 701 N 0.09 1.23 0.00 1.22 2.07 -1.19 0.18 116.25 119.85 2x58 h VAL 701 Ca 0.05 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 2x58 h VAL 701 Cb 0.47 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2x58 h VAL 701 CO 0.02 0.33 -0.32 0.00 0.02 0.00 0.00 177.57 177.61 2x58 h ALA 702 N 1.45 1.21 -0.56 1.67 0.00 -0.85 -2.61 119.26 119.58 2x58 h ALA 702 Ca 0.07 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2x58 h ALA 702 Cb 0.50 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 2x58 h ALA 702 CO 0.03 0.40 0.14 1.04 0.00 0.00 0.00 179.25 180.87 2x58 n GLN 703 N -3.79 3.60 -1.09 0.00 6.02 -0.59 -4.90 117.38 116.63 2x58 n GLN 703 Ca -0.01 -2.52 -0.03 0.00 -0.01 0.00 0.00 57.00 54.43 2x58 n GLN 703 Cb 0.41 -2.08 -0.01 0.00 1.02 0.00 0.00 30.24 29.58 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 0.15 0.62 2.66 1.08 0.00 -0.98 -4.38 105.19 104.34 2x58 n GLY 704 Ca 0.29 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 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 1.20 -5.26 -4.62 1.61 7.64 0.56 -4.99 113.62 109.76 2x58 n SER 705 Ca -0.03 -0.41 -0.29 0.00 1.01 0.00 0.00 58.87 59.15 2x58 n SER 705 Cb 0.11 -3.72 0.19 0.00 -1.01 0.00 0.00 64.21 59.78 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 -3.79 0.27 0.74 1.43 0.04 -1.26 -4.97 135.00 127.47 2x58 s PRO 706 Ca 0.26 0.93 -0.14 0.00 0.04 0.00 0.00 61.00 62.09 2x58 s PRO 706 Cb -0.03 -1.69 0.05 0.00 0.04 0.00 0.00 34.50 32.87 2x58 s PRO 706 CO 0.50 -2.95 1.16 -1.25 0.04 0.00 0.00 177.00 174.51 2x58 s PRO 707 N -4.70 2.16 0.28 0.56 0.04 -1.26 -4.88 135.00 127.20 2x58 s PRO 707 Ca 0.66 1.59 -0.02 0.00 0.04 0.00 0.00 61.00 63.27 2x58 s PRO 707 Cb -0.22 -1.85 0.61 0.00 0.04 0.00 0.00 34.50 33.08 2x58 s PRO 707 CO 0.60 -1.79 1.59 1.25 0.04 0.00 0.00 177.00 178.70 2x58 h LEU 708 N -0.51 -0.46 0.00 -3.56 6.46 -1.96 -0.49 115.31 114.79 2x58 h LEU 708 Ca -0.46 0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 2x58 h LEU 708 Cb 1.27 0.44 0.00 0.00 -0.73 0.00 0.00 40.66 41.65 2x58 h LEU 708 CO 0.50 -0.28 0.00 2.29 -0.62 0.00 0.00 178.44 180.32 2x58 n LYS 709 N -5.44 0.23 -0.05 1.25 2.85 -1.26 -0.95 118.16 114.78 2x58 n LYS 709 Ca 0.19 0.12 0.04 0.00 -1.05 0.00 0.00 58.31 57.61 2x58 n LYS 709 Cb 0.63 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 33.58 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 -1.20 1.38 -0.11 -1.58 1.02 -0.20 -4.73 120.64 115.22 2x58 n GLU 710 Ca 0.07 -1.37 -0.08 0.00 -0.02 0.00 0.00 57.16 55.75 2x58 n GLU 710 Cb 0.08 -1.16 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 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 1.40 0.46 -0.63 -0.32 6.55 -1.05 -2.90 115.95 119.46 2x58 h TRP 711 Ca 0.00 0.01 -0.06 0.00 0.95 0.00 0.00 58.89 59.79 2x58 h TRP 711 Cb 0.47 -0.16 -0.03 0.00 -0.86 0.00 0.00 29.16 28.59 2x58 h TRP 711 CO 0.07 0.30 0.15 1.96 -1.05 0.00 0.00 178.44 179.88 2x58 h GLN 712 N 0.49 1.01 0.00 0.49 1.08 -1.85 -0.49 115.11 115.85 2x58 h GLN 712 Ca 0.13 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2x58 h GLN 712 Cb -0.04 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 2x58 h GLN 712 CO -0.03 0.92 0.00 0.66 -0.95 0.00 0.00 178.83 179.43 2x58 h SER 713 N 0.93 0.00 0.00 1.46 4.64 -1.88 0.11 113.55 118.81 2x58 h SER 713 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2x58 h SER 713 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2x58 h SER 713 CO 0.00 0.00 -1.46 0.18 -0.87 0.00 0.00 176.83 174.68 2x58 n LEU 714 N -2.67 0.27 0.00 5.97 4.77 -1.09 -2.76 117.00 121.49 2x58 n LEU 714 Ca 0.04 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2x58 n LEU 714 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2x58 n LEU 714 CO 0.31 0.07 -0.04 0.00 -1.33 0.00 0.00 177.39 176.40 2x58 n ALA 715 N -1.87 0.26 -1.21 -1.18 0.00 -0.21 -4.78 120.51 111.53 2x58 n ALA 715 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 2x58 n ALA 715 Cb 0.39 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.21 1.64 0.63 0.00 0.00 0.36 -4.91 107.32 104.83 2x58 s GLY 716 Ca 0.00 0.11 0.36 0.00 0.00 0.00 0.00 44.72 45.19 2x58 s GLY 716 CO 0.00 0.53 2.29 -0.56 0.00 0.00 0.00 173.10 175.36 2x58 h PRO 717 N -1.38 0.00 -0.27 2.90 0.13 -1.82 -2.38 132.00 129.18 2x58 h PRO 717 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2x58 h PRO 717 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2x58 h PRO 717 CO 0.53 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.02 2x58 n HIS 718 N -3.49 0.35 -4.57 1.56 8.25 -1.26 -4.97 115.22 111.08 2x58 n HIS 718 Ca -0.03 -0.23 -0.25 0.00 -0.26 0.00 0.00 57.72 56.95 2x58 n HIS 718 Cb 0.10 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.07 2x58 n HIS 718 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2x58 s GLY 719 N -1.27 1.17 0.00 -1.41 0.00 -0.90 -5.01 107.32 99.91 2x58 s GLY 719 Ca 0.29 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.89 2x58 s GLY 719 CO 0.24 -1.06 0.00 -1.26 0.00 0.00 0.00 173.10 171.02