#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x42 h LYS 3 N 0.00 -0.17 0.11 5.31 6.56 -2.03 -1.89 116.57 124.46 2x42 h LYS 3 Ca 0.00 0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.62 2x42 h LYS 3 Cb 0.00 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 31.66 2x42 h LYS 3 CO 0.00 -0.11 -0.29 0.28 -2.06 0.00 0.00 179.45 177.27 2x42 h VAL 4 N -0.17 0.37 -0.01 0.50 2.07 -1.99 0.43 116.25 117.45 2x42 h VAL 4 Ca 0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.74 2x42 h VAL 4 Cb 0.54 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2x42 h VAL 4 CO -0.64 0.00 0.01 0.78 0.02 0.00 0.00 177.57 177.74 2x42 h ASN 5 N -0.50 0.00 0.22 0.57 2.35 -1.93 0.15 115.58 116.44 2x42 h ASN 5 Ca 0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2x42 h ASN 5 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2x42 h ASN 5 CO -0.18 0.00 -0.11 -0.08 -1.65 0.00 0.00 177.43 175.42 2x42 h GLU 6 N 0.00 -0.29 -0.47 0.81 4.57 -0.31 -2.06 114.58 116.84 2x42 h GLU 6 Ca 0.00 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.28 2x42 h GLU 6 Cb 0.02 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.61 2x42 h GLU 6 CO -0.00 0.02 0.07 0.82 -1.18 0.00 0.00 179.01 178.74 2x42 h ILE 7 N -0.98 0.72 -0.71 2.32 2.04 -0.65 -1.56 117.51 118.70 2x42 h ILE 7 Ca -0.03 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 65.87 2x42 h ILE 7 Cb 0.44 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 2x42 h ILE 7 CO 0.05 0.04 0.31 0.25 0.00 0.00 0.00 178.15 178.80 2x42 h LEU 8 N 0.20 0.35 -1.79 1.44 7.12 -0.79 0.25 115.31 122.09 2x42 h LEU 8 Ca 0.23 0.08 -0.02 0.00 0.13 0.00 0.00 57.88 58.30 2x42 h LEU 8 Cb 0.31 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.48 2x42 h LEU 8 CO -0.32 0.18 -0.10 0.77 -0.13 0.00 0.00 178.44 178.84 2x42 h SER 9 N 0.51 0.00 0.73 1.25 4.64 -0.55 -2.96 113.55 117.18 2x42 h SER 9 Ca 0.37 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.50 2x42 h SER 9 Cb 0.47 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 2x42 h SER 9 CO -0.33 0.10 -1.39 1.56 -0.87 0.00 0.00 176.83 175.90 2x42 h GLN 10 N 0.00 0.00 -6.93 4.77 4.20 -0.34 -3.47 115.11 113.34 2x42 h GLN 10 Ca -0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 2x42 h GLN 10 Cb 0.42 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.27 2x42 h GLN 10 CO 0.01 0.37 0.62 -0.51 -0.67 0.00 0.00 178.83 178.65 2x42 s LEU 11 N -5.93 4.28 0.68 1.46 1.43 -0.64 -5.03 118.68 114.94 2x42 s LEU 11 Ca -0.03 2.66 -0.09 0.00 -1.03 0.00 0.00 54.13 55.64 2x42 s LEU 11 Cb 0.08 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.51 2x42 s LEU 11 CO 0.81 -0.74 1.03 0.42 0.23 0.00 0.00 176.35 178.10 2x42 s THR 12 N -1.23 3.19 0.15 5.49 -4.23 -1.26 -4.92 115.64 112.83 2x42 s THR 12 Ca 0.54 0.17 -0.18 0.00 -1.18 0.00 0.00 61.69 61.04 2x42 s THR 12 Cb -0.38 -3.34 0.03 0.00 1.34 0.00 0.00 72.50 70.14 2x42 s THR 12 CO 0.50 -0.41 1.70 0.25 -0.54 0.00 0.00 174.62 176.11 2x42 h LEU 13 N -0.55 -0.21 -0.94 4.79 5.85 -1.99 -1.81 115.31 120.45 2x42 h LEU 13 Ca -0.45 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 2x42 h LEU 13 Cb 1.27 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 2x42 h LEU 13 CO 0.63 -0.07 0.39 -0.08 -0.34 0.00 0.00 178.44 178.97 2x42 h GLU 14 N 0.04 1.15 -0.41 1.25 4.81 -2.00 -2.02 114.58 117.41 2x42 h GLU 14 Ca 0.15 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 2x42 h GLU 14 Cb 0.22 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2x42 h GLU 14 CO -0.29 0.88 -0.11 0.93 -0.73 0.00 0.00 179.01 179.69 2x42 h GLU 15 N 1.14 0.73 -0.60 1.92 5.08 -1.89 -1.62 114.58 119.35 2x42 h GLU 15 Ca 0.28 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2x42 h GLU 15 Cb 0.10 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2x42 h GLU 15 CO -0.04 0.82 0.39 0.87 -1.00 0.00 0.00 179.01 180.05 2x42 h LYS 16 N 0.66 0.76 -0.40 2.33 1.57 -0.78 -1.79 116.57 118.91 2x42 h LYS 16 Ca 0.11 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2x42 h LYS 16 Cb 0.57 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2x42 h LYS 16 CO 0.04 0.50 0.11 0.28 -0.57 0.00 0.00 179.45 179.80 2x42 h VAL 17 N 0.78 1.23 -0.85 0.50 2.07 -1.11 -2.45 116.25 116.41 2x42 h VAL 17 Ca 0.23 -0.76 0.14 0.00 0.82 0.00 0.00 66.70 67.13 2x42 h VAL 17 Cb -0.05 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 2x42 h VAL 17 CO -0.07 0.27 0.55 0.11 0.02 0.00 0.00 177.57 178.45 2x42 h LYS 18 N 0.51 0.61 0.00 1.57 1.57 -1.05 -2.47 116.57 117.30 2x42 h LYS 18 Ca 0.13 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 2x42 h LYS 18 Cb 0.30 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2x42 h LYS 18 CO -0.00 0.40 -0.48 -0.07 -0.57 0.00 0.00 179.45 178.73 2x42 h LEU 19 N 0.62 0.00 -1.30 2.94 3.38 -0.84 -2.91 115.31 117.20 2x42 h LEU 19 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2x42 h LEU 19 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2x42 h LEU 19 CO -0.18 0.48 0.00 1.33 0.09 0.00 0.00 178.44 180.17 2x42 n VAL 20 N -3.91 0.36 -4.73 1.22 0.24 -0.93 -4.73 118.33 105.84 2x42 n VAL 20 Ca -0.01 -0.44 -0.25 0.00 -2.04 0.00 0.00 64.34 61.59 2x42 n VAL 20 Cb 0.51 0.35 -0.16 0.00 -1.47 0.00 0.00 33.84 33.06 2x42 n VAL 20 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2x42 s VAL 21 N -1.64 1.30 0.98 3.34 1.01 -1.10 -0.66 120.40 123.63 2x42 s VAL 21 Ca 0.30 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 2x42 s VAL 21 Cb 0.16 -1.13 0.18 0.00 0.00 0.00 0.00 36.38 35.59 2x42 s VAL 21 CO 0.23 0.38 1.08 -0.83 0.00 0.00 0.00 175.10 175.96 2x42 s GLY 22 N 0.20 1.59 0.00 4.51 0.00 0.11 -4.22 107.32 109.51 2x42 s GLY 22 Ca -0.06 -0.10 0.14 0.00 0.00 0.00 0.00 44.72 44.70 2x42 s GLY 22 CO 0.02 0.47 1.36 3.33 0.00 0.00 0.00 173.10 178.28 2x42 n VAL 23 N -4.22 0.32 0.00 1.40 0.24 -0.76 -4.25 118.33 111.06 2x42 n VAL 23 Ca 0.06 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2x42 n VAL 23 Cb 0.55 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 2x42 n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2x42 n GLY 24 N 1.02 2.24 3.61 7.63 0.00 0.45 -4.87 105.19 115.27 2x42 n GLY 24 Ca 0.12 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 2x42 n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x42 s LEU 25 N 0.00 3.67 0.33 0.99 2.96 -1.26 -4.66 118.68 120.71 2x42 s LEU 25 Ca 0.00 1.79 -0.29 0.00 -0.22 0.00 0.00 54.13 55.41 2x42 s LEU 25 Cb 0.00 -3.52 -0.11 0.00 0.50 0.00 0.00 46.19 43.06 2x42 s LEU 25 CO 0.00 -1.65 1.51 -2.84 -1.32 0.00 0.00 176.35 172.05 2x42 s PRO 26 N 5.62 4.15 0.00 0.98 0.02 -1.26 -2.76 135.00 141.74 2x42 s PRO 26 Ca 0.88 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.42 2x42 s PRO 26 Cb -0.30 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.21 2x42 s PRO 26 CO 0.35 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 2x42 n GLY 27 N 1.31 0.77 3.44 0.52 0.00 -0.09 -4.76 105.19 106.38 2x42 n GLY 27 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 2x42 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x42 s LEU 28 N 0.00 2.49 0.00 0.99 1.43 -1.11 -4.88 118.68 117.60 2x42 s LEU 28 Ca 0.00 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 2x42 s LEU 28 Cb 0.00 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 45.05 2x42 s LEU 28 CO 0.00 0.10 0.00 0.49 0.23 0.00 0.00 176.35 177.17 2x42 n PHE 29 N 0.03 0.00 0.53 0.29 3.72 -1.26 -1.40 117.46 119.37 2x42 n PHE 29 Ca -0.11 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.40 2x42 n PHE 29 Cb 0.57 0.04 0.43 0.00 -0.94 0.00 0.00 39.48 39.58 2x42 n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x42 n GLY 30 N 0.00 -1.27 3.75 1.37 0.00 -1.26 -4.92 105.19 102.87 2x42 n GLY 30 Ca 0.00 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2x42 n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x42 s ASN 31 N -3.73 7.22 0.70 1.61 0.01 -0.49 -5.00 114.94 115.26 2x42 s ASN 31 Ca 0.07 2.27 -0.15 0.00 -0.71 0.00 0.00 52.86 54.34 2x42 s ASN 31 Cb 0.11 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 39.17 2x42 s ASN 31 CO 0.39 -0.20 1.18 -2.84 -1.51 0.00 0.00 177.10 174.13 2x42 s PRO 32 N -1.24 2.37 0.55 -0.60 0.02 -1.26 -2.60 135.00 132.24 2x42 s PRO 32 Ca 0.46 1.68 -0.21 0.00 0.02 0.00 0.00 61.00 62.96 2x42 s PRO 32 Cb -0.32 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.28 2x42 s PRO 32 CO 0.41 -1.64 1.25 -1.01 -0.33 0.00 0.00 177.00 175.68 2x42 s HIS 33 N -2.02 2.46 0.74 6.54 3.76 -1.26 -0.91 115.29 124.59 2x42 s HIS 33 Ca 0.73 1.47 -0.15 0.00 -0.15 0.00 0.00 55.06 56.95 2x42 s HIS 33 Cb -0.27 -3.58 0.04 0.00 1.11 0.00 0.00 32.58 29.88 2x42 s HIS 33 CO 0.43 -2.32 1.24 0.45 -0.85 0.00 0.00 174.74 173.70 2x42 s SER 34 N -1.30 4.05 0.51 1.40 0.15 -1.26 -4.79 113.70 112.46 2x42 s SER 34 Ca 0.72 2.47 0.34 0.00 0.70 0.00 0.00 55.95 60.19 2x42 s SER 34 Cb -0.34 -2.60 1.81 0.00 -1.71 0.00 0.00 66.02 63.18 2x42 s SER 34 CO 0.39 -2.37 2.05 0.08 1.20 0.00 0.00 173.24 174.59 2x42 h ARG 35 N -0.26 0.00 -3.68 5.44 0.11 -1.99 -2.95 114.38 111.05 2x42 h ARG 35 Ca -0.48 0.00 -0.71 0.00 0.10 0.00 0.00 59.98 58.89 2x42 h ARG 35 Cb 1.31 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 32.06 2x42 h ARG 35 CO 0.49 0.00 -0.30 0.08 0.10 0.00 0.00 179.97 180.34 2x42 s VAL 36 N -3.84 4.01 0.11 0.08 1.01 -1.26 -5.07 120.40 115.43 2x42 s VAL 36 Ca -0.03 -2.82 -0.34 0.00 0.00 0.00 0.00 61.98 58.79 2x42 s VAL 36 Cb 0.10 -3.59 -0.14 0.00 0.00 0.00 0.00 36.38 32.76 2x42 s VAL 36 CO 0.34 -0.89 1.62 0.00 0.00 0.00 0.00 175.10 176.18 2x42 n ALA 37 N 3.64 1.21 0.00 5.51 0.00 -1.12 -1.23 120.51 128.51 2x42 n ALA 37 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2x42 n ALA 37 Cb 0.39 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.47 2x42 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x42 n GLY 38 N 3.56 0.43 3.70 0.00 0.00 -1.26 -0.50 105.19 111.11 2x42 n GLY 38 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2x42 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x42 n ALA 39 N -1.90 0.83 0.13 4.61 0.00 -0.37 -4.62 120.51 119.19 2x42 n ALA 39 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 2x42 n ALA 39 Cb 0.00 -2.27 0.14 0.00 0.00 0.00 0.00 19.45 17.33 2x42 n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x42 h ALA 40 N 0.42 0.92 -1.81 0.00 0.00 -1.46 -3.42 119.26 113.90 2x42 h ALA 40 Ca -0.50 -0.59 0.21 0.00 0.00 0.00 0.00 54.91 54.03 2x42 h ALA 40 Cb 1.34 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 2x42 h ALA 40 CO 0.52 0.81 0.68 0.20 0.00 0.00 0.00 179.25 181.46 2x42 s GLY 41 N -4.49 -0.36 0.02 0.00 0.00 -0.86 -4.47 107.32 97.16 2x42 s GLY 41 Ca -0.01 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.81 2x42 s GLY 41 CO 0.77 0.34 -0.03 -0.54 0.00 0.00 0.00 173.10 173.63 2x42 s GLU 42 N -2.73 0.32 0.56 2.90 2.02 -1.26 -0.90 118.70 119.61 2x42 s GLU 42 Ca 0.09 -0.59 -0.05 0.00 0.02 0.00 0.00 54.97 54.44 2x42 s GLU 42 Cb -0.00 0.05 -0.00 0.00 0.10 0.00 0.00 34.13 34.27 2x42 s GLU 42 CO -0.05 -0.03 0.86 0.95 0.02 0.00 0.00 175.26 177.00 2x42 s THR 43 N -1.35 3.96 0.01 3.63 -4.23 -0.67 -1.82 115.64 115.18 2x42 s THR 43 Ca -0.14 0.01 -0.30 0.00 -1.18 0.00 0.00 61.69 60.08 2x42 s THR 43 Cb -0.09 -3.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 2x42 s THR 43 CO -0.01 -0.54 1.21 -1.00 -0.54 0.00 0.00 174.62 173.75 2x42 s HIS 44 N -2.90 3.28 0.62 3.99 0.09 -1.26 -4.20 115.29 114.91 2x42 s HIS 44 Ca 0.52 1.23 -0.16 0.00 -0.00 0.00 0.00 55.06 56.65 2x42 s HIS 44 Cb -0.10 -3.44 -0.02 0.00 -0.00 0.00 0.00 32.58 29.01 2x42 s HIS 44 CO 0.45 -1.38 1.09 -1.25 -0.00 0.00 0.00 174.74 173.64 2x42 s PRO 45 N 1.66 3.10 -0.44 8.40 0.04 -1.26 -4.70 135.00 141.79 2x42 s PRO 45 Ca 0.58 1.33 0.05 0.00 0.04 0.00 0.00 61.00 63.00 2x42 s PRO 45 Cb -0.28 -1.99 0.19 0.00 0.04 0.00 0.00 34.50 32.46 2x42 s PRO 45 CO 0.26 -1.00 0.40 0.28 0.04 0.00 0.00 177.00 176.98 2x42 n VAL 46 N -2.11 -0.72 -0.29 -0.36 0.31 0.80 -4.95 118.33 111.00 2x42 n VAL 46 Ca 0.10 -3.74 0.20 0.00 -0.01 0.00 0.00 64.34 60.89 2x42 n VAL 46 Cb 0.52 -1.78 0.49 0.00 -0.91 0.00 0.00 33.84 32.16 2x42 n VAL 46 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2x42 h PRO 47 N 5.24 0.43 -0.86 5.55 0.11 -1.93 -1.73 132.00 138.82 2x42 h PRO 47 Ca 0.22 -0.03 0.18 0.00 0.11 0.00 0.00 66.00 66.48 2x42 h PRO 47 Cb 0.88 -0.10 -0.16 0.00 0.11 0.00 0.00 31.00 31.73 2x42 h PRO 47 CO 0.44 0.29 -0.19 -0.09 -0.21 0.00 0.00 178.00 178.24 2x42 h ARG 48 N 0.45 0.01 -0.34 1.05 2.43 -1.94 -0.40 114.38 115.64 2x42 h ARG 48 Ca 0.54 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 2x42 h ARG 48 Cb 1.28 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2x42 h ARG 48 CO -0.25 0.00 0.00 1.33 -1.51 0.00 0.00 179.97 179.55 2x42 n VAL 49 N -5.54 2.03 -1.18 0.20 0.24 -0.75 -4.96 118.33 108.37 2x42 n VAL 49 Ca 0.13 -1.60 -0.01 0.00 -2.04 0.00 0.00 64.34 60.82 2x42 n VAL 49 Cb 0.45 -0.07 -0.00 0.00 -1.47 0.00 0.00 33.84 32.75 2x42 n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2x42 n GLY 50 N -0.07 0.46 3.64 7.63 0.00 -0.16 -4.99 105.19 111.70 2x42 n GLY 50 Ca 0.20 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 2x42 n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x42 s LEU 51 N -0.32 4.10 0.77 0.99 1.43 -0.73 -4.96 118.68 119.97 2x42 s LEU 51 Ca 0.00 0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.40 2x42 s LEU 51 Cb 0.00 -2.41 0.12 0.00 0.03 0.00 0.00 46.19 43.93 2x42 s LEU 51 CO 0.00 -0.10 1.07 -2.16 0.23 0.00 0.00 176.35 175.39 2x42 s PRO 52 N 1.57 1.62 0.27 1.29 0.04 -1.26 -0.14 135.00 138.38 2x42 s PRO 52 Ca 0.16 -0.66 -0.30 0.00 0.04 0.00 0.00 61.00 60.24 2x42 s PRO 52 Cb -0.15 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 2x42 s PRO 52 CO 0.08 -1.59 1.03 0.00 0.04 0.00 0.00 177.00 176.56 2x42 s ALA 53 N -3.34 3.37 -0.05 8.56 0.00 -1.26 -4.41 121.76 124.62 2x42 s ALA 53 Ca 0.66 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 53.37 2x42 s ALA 53 Cb -0.07 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2x42 s ALA 53 CO 0.46 0.00 0.06 -0.06 0.00 0.00 0.00 175.76 176.23 2x42 s PHE 54 N -1.18 3.29 -0.15 0.00 0.40 -1.26 -4.89 117.98 114.19 2x42 s PHE 54 Ca 0.43 0.26 -0.05 0.00 -0.60 0.00 0.00 56.93 56.97 2x42 s PHE 54 Cb -0.29 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 2x42 s PHE 54 CO 0.37 0.55 0.02 0.08 0.70 0.00 0.00 175.22 176.95 2x42 s VAL 55 N -1.05 4.46 -0.04 -0.44 1.01 -1.26 -1.66 120.40 121.42 2x42 s VAL 55 Ca 0.18 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2x42 s VAL 55 Cb -0.12 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 2x42 s VAL 55 CO 0.08 0.51 -0.25 -0.76 0.00 0.00 0.00 175.10 174.68 2x42 s LEU 56 N -0.02 2.05 -0.05 3.92 1.43 -0.07 -0.88 118.68 125.06 2x42 s LEU 56 Ca 0.04 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.51 2x42 s LEU 56 Cb -0.13 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.79 2x42 s LEU 56 CO 0.02 0.28 0.35 0.00 0.23 0.00 0.00 176.35 177.22 2x42 s ALA 57 N -0.39 -0.87 0.95 4.21 0.00 -0.75 -1.21 121.76 123.70 2x42 s ALA 57 Ca 0.04 0.58 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 2x42 s ALA 57 Cb -0.12 -0.13 0.16 0.00 0.00 0.00 0.00 23.12 23.04 2x42 s ALA 57 CO 0.01 -0.24 1.09 -0.51 0.00 0.00 0.00 175.76 176.11 2x42 s ASP 58 N -0.88 3.01 0.01 0.00 1.11 -1.26 -0.02 116.67 118.64 2x42 s ASP 58 Ca -0.10 1.33 -0.01 0.00 0.18 0.00 0.00 52.55 53.96 2x42 s ASP 58 Cb -0.04 -2.00 0.00 0.00 1.07 0.00 0.00 42.92 41.95 2x42 s ASP 58 CO 0.03 -2.91 0.04 0.61 1.18 0.00 0.00 175.17 174.12 2x42 n GLY 59 N -1.10 1.62 0.26 0.21 0.00 -0.64 -0.06 105.19 105.49 2x42 n GLY 59 Ca 0.06 -0.98 0.10 0.00 0.00 0.00 0.00 46.02 45.21 2x42 n GLY 59 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2x42 h PRO 60 N 0.00 0.00 -0.14 1.61 0.11 -1.84 -2.42 132.00 129.32 2x42 h PRO 60 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2x42 h PRO 60 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 2x42 h PRO 60 CO 0.02 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 177.88 2x42 n ALA 61 N -2.41 2.49 0.00 -0.75 0.00 -1.26 -4.76 120.51 113.82 2x42 n ALA 61 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2x42 n ALA 61 Cb 0.15 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2x42 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x42 n GLY 62 N 1.30 4.14 3.69 0.00 0.00 -0.91 -0.91 105.19 112.50 2x42 n GLY 62 Ca 0.17 -1.61 -0.44 0.00 0.00 0.00 0.00 46.02 44.14 2x42 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2x42 n LEU 63 N 0.00 3.60 -4.18 0.99 7.94 -1.26 -1.62 117.00 122.47 2x42 n LEU 63 Ca 0.00 1.05 -0.39 0.00 -1.11 0.00 0.00 56.01 55.56 2x42 n LEU 63 Cb 0.00 -1.49 -0.10 0.00 0.53 0.00 0.00 43.42 42.36 2x42 n LEU 63 CO 0.00 -0.02 -0.11 -0.60 -1.11 0.00 0.00 177.39 175.55 2x42 s ARG 64 N 1.67 2.31 0.20 1.96 3.52 0.91 -4.70 118.95 124.82 2x42 s ARG 64 Ca 0.80 -1.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.69 2x42 s ARG 64 Cb -0.59 -3.74 -0.05 0.00 -1.56 0.00 0.00 34.95 29.02 2x42 s ARG 64 CO 0.37 -1.09 0.04 0.96 -0.81 0.00 0.00 175.30 174.78 2x42 s ILE 65 N 1.28 0.58 0.18 4.11 -4.36 -1.26 -4.46 121.20 117.27 2x42 s ILE 65 Ca 0.06 -1.98 -0.31 0.00 -0.26 0.00 0.00 60.65 58.15 2x42 s ILE 65 Cb -0.24 -2.31 -0.10 0.00 1.25 0.00 0.00 42.46 41.06 2x42 s ILE 65 CO -0.02 -0.29 1.51 0.20 0.24 0.00 0.00 174.94 176.58 2x42 s ASN 66 N -3.21 6.64 0.37 4.36 0.01 0.34 -4.81 114.94 118.63 2x42 s ASN 66 Ca 0.29 2.59 0.16 0.00 -0.71 0.00 0.00 52.86 55.19 2x42 s ASN 66 Cb 0.07 -2.60 0.70 0.00 0.41 0.00 0.00 41.25 39.83 2x42 s ASN 66 CO 0.07 -0.77 1.77 -0.65 -1.51 0.00 0.00 177.10 176.02 2x42 h PRO 67 N 6.28 0.00 -5.47 -0.60 0.11 -1.89 -3.42 132.00 127.02 2x42 h PRO 67 Ca -0.43 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.23 2x42 h PRO 67 Cb 1.21 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 2x42 h PRO 67 CO 0.87 0.40 -0.71 0.95 -0.21 0.00 0.00 178.00 179.30 2x42 s THR 68 N -3.86 1.61 0.02 -1.15 -4.23 -1.26 0.20 115.64 106.96 2x42 s THR 68 Ca -0.01 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 2x42 s THR 68 Cb 0.13 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.78 2x42 s THR 68 CO 0.71 -0.50 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.13 2x42 s ARG 69 N -3.69 0.26 0.57 3.99 0.52 -1.26 -5.01 118.95 114.33 2x42 s ARG 69 Ca 0.24 -0.51 -0.19 0.00 -0.52 0.00 0.00 55.73 54.76 2x42 s ARG 69 Cb 0.01 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 2x42 s ARG 69 CO 0.08 -0.04 1.17 -1.83 0.02 0.00 0.00 175.30 174.70 2x42 s GLU 70 N -1.21 3.13 -1.49 3.54 -1.05 -1.26 -2.99 118.70 117.37 2x42 s GLU 70 Ca -0.13 1.73 -0.11 0.00 -0.15 0.00 0.00 54.97 56.31 2x42 s GLU 70 Cb -0.08 -1.96 0.07 0.00 -0.44 0.00 0.00 34.13 31.71 2x42 s GLU 70 CO -0.01 -1.06 0.89 0.09 0.95 0.00 0.00 175.26 176.13 2x42 n ASN 71 N -1.48 -3.79 -3.67 0.83 4.13 -1.26 -4.96 115.26 105.06 2x42 n ASN 71 Ca 0.13 -0.81 -0.09 0.00 1.68 0.00 0.00 54.58 55.49 2x42 n ASN 71 Cb 0.50 -3.84 -0.10 0.00 -1.54 0.00 0.00 39.78 34.80 2x42 n ASN 71 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2x42 s ASP 72 N -3.58 -0.49 0.00 6.41 -1.08 -1.16 -5.02 116.67 111.74 2x42 s ASP 72 Ca 0.50 1.02 0.24 0.00 -0.52 0.00 0.00 52.55 53.79 2x42 s ASP 72 Cb -0.25 1.11 0.31 0.00 -1.46 0.00 0.00 42.92 42.63 2x42 s ASP 72 CO 0.83 -0.21 1.28 -1.84 0.52 0.00 0.00 175.17 175.75 2x42 n GLU 73 N 4.73 0.26 -1.59 4.34 0.00 -1.26 -4.61 120.64 122.50 2x42 n GLU 73 Ca -0.17 -0.18 -0.30 0.00 0.00 0.00 0.00 57.16 56.51 2x42 n GLU 73 Cb 0.53 -1.50 0.08 0.00 0.00 0.00 0.00 31.44 30.56 2x42 n GLU 73 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2x42 s ASN 74 N -2.87 4.64 0.03 -1.84 0.01 -1.26 -5.08 114.94 108.57 2x42 s ASN 74 Ca 0.13 1.30 0.06 0.00 -0.71 0.00 0.00 52.86 53.64 2x42 s ASN 74 Cb 0.17 -2.04 -0.02 0.00 0.41 0.00 0.00 41.25 39.77 2x42 s ASN 74 CO 0.70 -1.88 -0.17 0.28 -1.51 0.00 0.00 177.10 174.53 2x42 s THR 75 N -3.18 1.33 -0.29 1.60 -1.32 -1.26 -4.59 115.64 107.94 2x42 s THR 75 Ca 0.60 -1.03 0.14 0.00 -1.21 0.00 0.00 61.69 60.20 2x42 s THR 75 Cb -0.14 -1.17 0.48 0.00 -1.51 0.00 0.00 72.50 70.15 2x42 s THR 75 CO 0.54 0.12 1.13 -1.22 -2.21 0.00 0.00 174.62 172.98 2x42 n TYR 76 N 1.98 2.07 -1.99 9.09 4.01 0.13 -5.01 117.16 127.44 2x42 n TYR 76 Ca -0.17 -2.32 -0.35 0.00 -0.16 0.00 0.00 57.90 54.90 2x42 n TYR 76 Cb 0.54 -0.28 0.03 0.00 -0.31 0.00 0.00 39.34 39.33 2x42 n TYR 76 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2x42 s TYR 77 N -3.64 2.48 0.43 -0.72 1.51 -1.26 -4.47 117.35 111.69 2x42 s TYR 77 Ca 0.39 1.54 0.04 0.00 -1.01 0.00 0.00 57.07 58.02 2x42 s TYR 77 Cb 0.38 -3.37 -0.04 0.00 -0.11 0.00 0.00 41.96 38.82 2x42 s TYR 77 CO -0.01 -1.96 0.04 0.95 -1.11 0.00 0.00 175.55 173.46 2x42 s THR 78 N -1.81 1.25 -0.11 -0.71 -4.23 -1.26 -4.98 115.64 103.79 2x42 s THR 78 Ca 0.74 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 59.03 2x42 s THR 78 Cb -0.26 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 2x42 s THR 78 CO 0.34 0.00 0.63 -0.89 -0.54 0.00 0.00 174.62 174.16 2x42 s THR 79 N -2.99 5.07 -0.49 3.99 2.01 -1.26 -4.24 115.64 117.73 2x42 s THR 79 Ca 0.23 1.26 -0.17 0.00 0.31 0.00 0.00 61.69 63.32 2x42 s THR 79 Cb 0.05 -3.96 0.07 0.00 0.01 0.00 0.00 72.50 68.67 2x42 s THR 79 CO 0.12 0.23 0.49 0.00 -0.69 0.00 0.00 174.62 174.77 2x42 s ALA 80 N 1.07 3.49 0.63 7.40 0.00 -1.26 -4.43 121.76 128.66 2x42 s ALA 80 Ca 0.32 -1.96 -0.07 0.00 0.00 0.00 0.00 51.96 50.25 2x42 s ALA 80 Cb -0.17 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.78 2x42 s ALA 80 CO 0.14 -1.85 0.96 -0.06 0.00 0.00 0.00 175.76 174.95 2x42 s PHE 81 N 2.06 3.19 0.58 0.00 0.08 -0.09 -0.98 117.98 122.82 2x42 s PHE 81 Ca 0.09 0.67 -0.19 0.00 0.12 0.00 0.00 56.93 57.62 2x42 s PHE 81 Cb -0.22 -2.89 -0.06 0.00 -0.57 0.00 0.00 43.02 39.28 2x42 s PHE 81 CO 0.09 -1.01 0.89 -2.30 -0.10 0.00 0.00 175.22 172.79 2x42 n PRO 82 N -2.73 0.87 -1.25 0.24 -0.02 -1.25 -3.94 135.00 126.93 2x42 n PRO 82 Ca 0.06 0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 2x42 n PRO 82 Cb 0.58 -2.07 0.10 0.00 -0.02 0.00 0.00 33.50 32.09 2x42 n PRO 82 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2x42 s VAL 83 N -1.53 2.84 0.30 -1.45 -7.23 -0.91 -4.70 120.40 107.72 2x42 s VAL 83 Ca 0.73 0.32 0.03 0.00 -1.81 0.00 0.00 61.98 61.25 2x42 s VAL 83 Cb -0.44 -2.71 0.29 0.00 0.56 0.00 0.00 36.38 34.08 2x42 s VAL 83 CO 0.49 -0.32 1.85 -0.33 -0.31 0.00 0.00 175.10 176.49 2x42 h GLU 84 N -0.94 0.91 0.00 4.82 5.08 -1.73 -0.14 114.58 122.58 2x42 h GLU 84 Ca -0.45 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 2x42 h GLU 84 Cb 1.25 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2x42 h GLU 84 CO 0.49 0.60 -0.12 0.97 -1.00 0.00 0.00 179.01 179.95 2x42 h ILE 85 N 0.94 1.05 0.09 3.13 2.10 -0.97 0.30 117.51 124.15 2x42 h ILE 85 Ca 0.48 -0.43 -0.23 0.00 1.08 0.00 0.00 64.86 65.75 2x42 h ILE 85 Cb 0.50 1.23 0.02 0.00 -1.09 0.00 0.00 36.82 37.49 2x42 h ILE 85 CO -0.24 0.12 -0.97 -0.03 -1.08 0.00 0.00 178.15 175.96 2x42 h MET 86 N 0.00 0.50 -0.92 2.19 4.05 -1.33 -2.76 114.93 116.66 2x42 h MET 86 Ca -0.00 -0.66 0.06 0.00 -0.28 0.00 0.00 59.70 58.82 2x42 h MET 86 Cb 0.22 0.21 -0.06 0.00 -0.80 0.00 0.00 31.60 31.18 2x42 h MET 86 CO 0.02 1.27 0.58 -0.07 0.23 0.00 0.00 176.91 178.94 2x42 h LEU 87 N 0.04 0.93 -1.26 3.39 3.38 -0.19 -1.26 115.31 120.34 2x42 h LEU 87 Ca -0.15 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2x42 h LEU 87 Cb 1.68 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 2x42 h LEU 87 CO 0.19 0.60 0.07 0.00 0.09 0.00 0.00 178.44 179.39 2x42 h ALA 88 N 1.42 1.41 0.00 1.53 0.00 -0.48 -1.93 119.26 121.21 2x42 h ALA 88 Ca 0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2x42 h ALA 88 Cb 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2x42 h ALA 88 CO -0.16 0.43 -0.01 0.77 0.00 0.00 0.00 179.25 180.28 2x42 h SER 89 N 0.56 0.00 0.54 0.00 0.02 -0.92 -0.10 113.55 113.66 2x42 h SER 89 Ca 0.13 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 2x42 h SER 89 Cb 0.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2x42 h SER 89 CO -0.00 0.01 -0.38 0.71 -1.14 0.00 0.00 176.83 176.03 2x42 h THR 90 N 0.00 1.09 -4.10 -2.27 1.35 -1.21 -0.01 112.91 107.77 2x42 h THR 90 Ca -0.00 -1.37 -0.25 0.00 -0.55 0.00 0.00 66.41 64.24 2x42 h THR 90 Cb 0.08 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 2x42 h THR 90 CO 0.00 0.37 -0.33 0.79 -0.25 0.00 0.00 175.52 176.10 2x42 n TRP 91 N -3.83 -1.50 -3.95 4.73 7.02 -0.05 -4.83 117.44 115.02 2x42 n TRP 91 Ca -0.01 0.07 -0.31 0.00 -1.02 0.00 0.00 57.50 56.23 2x42 n TRP 91 Cb 0.44 -2.72 -0.15 0.00 -2.42 0.00 0.00 31.31 26.46 2x42 n TRP 91 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2x42 s ASN 92 N -2.12 4.54 0.11 -0.99 3.84 -1.26 -4.48 114.94 114.57 2x42 s ASN 92 Ca 0.05 -2.26 -0.26 0.00 0.21 0.00 0.00 52.86 50.61 2x42 s ASN 92 Cb -0.03 -1.50 -0.09 0.00 -0.55 0.00 0.00 41.25 39.08 2x42 s ASN 92 CO 0.07 -0.35 1.66 0.03 -2.79 0.00 0.00 177.10 175.71 2x42 h ARG 93 N 7.44 -0.35 -0.59 0.43 3.08 -1.91 -1.06 114.38 121.42 2x42 h ARG 93 Ca -0.06 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.12 2x42 h ARG 93 Cb 0.99 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 31.04 2x42 h ARG 93 CO 0.54 -0.24 0.13 1.49 -1.07 0.00 0.00 179.97 180.82 2x42 h GLU 94 N -0.37 0.25 -0.74 0.04 4.81 -1.97 0.24 114.58 116.84 2x42 h GLU 94 Ca 0.03 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2x42 h GLU 94 Cb 0.39 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2x42 h GLU 94 CO -0.11 0.17 0.39 1.25 -0.73 0.00 0.00 179.01 179.98 2x42 h LEU 95 N 0.26 0.94 -1.21 1.64 5.85 -1.91 -1.09 115.31 119.79 2x42 h LEU 95 Ca 0.30 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2x42 h LEU 95 Cb 0.44 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2x42 h LEU 95 CO -0.39 0.78 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.42 2x42 h LEU 96 N 1.03 0.50 -0.45 2.25 -0.00 0.16 -1.11 115.31 117.68 2x42 h LEU 96 Ca 0.26 -0.10 -0.07 0.00 -0.00 0.00 0.00 57.88 57.97 2x42 h LEU 96 Cb 0.06 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.57 2x42 h LEU 96 CO -0.04 0.58 0.02 -0.08 -0.00 0.00 0.00 178.44 178.91 2x42 h GLU 97 N 0.52 0.79 -0.98 1.13 4.81 -0.37 -1.39 114.58 119.08 2x42 h GLU 97 Ca 0.11 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2x42 h GLU 97 Cb 0.34 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 2x42 h GLU 97 CO 0.01 0.84 0.64 0.93 -0.73 0.00 0.00 179.01 180.70 2x42 h GLU 98 N 0.63 1.17 -0.67 1.92 4.39 -0.66 -0.72 114.58 120.65 2x42 h GLU 98 Ca 0.13 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 2x42 h GLU 98 Cb 0.47 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 2x42 h GLU 98 CO 0.02 0.78 0.09 0.28 -1.16 0.00 0.00 179.01 179.01 2x42 h VAL 99 N 1.21 1.27 -0.29 3.13 2.07 -0.85 -1.82 116.25 120.96 2x42 h VAL 99 Ca 0.40 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.86 2x42 h VAL 99 Cb 0.06 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2x42 h VAL 99 CO -0.14 0.40 0.17 1.23 0.02 0.00 0.00 177.57 179.25 2x42 h GLY 100 N 1.04 0.39 0.81 2.17 0.00 -0.69 -1.52 103.07 105.27 2x42 h GLY 100 Ca 0.20 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.42 2x42 h GLY 100 CO 0.02 0.12 0.16 0.50 0.00 0.00 0.00 176.54 177.34 2x42 h LYS 101 N 0.35 0.33 -0.17 4.80 1.57 -0.86 0.40 116.57 123.00 2x42 h LYS 101 Ca 0.11 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2x42 h LYS 101 Cb -0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2x42 h LYS 101 CO -0.04 0.22 0.09 0.00 -0.57 0.00 0.00 179.45 179.15 2x42 h ALA 102 N 1.19 0.20 -0.56 3.86 0.00 -1.19 0.11 119.26 122.87 2x42 h ALA 102 Ca 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2x42 h ALA 102 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2x42 h ALA 102 CO -0.11 -0.33 0.29 0.52 0.00 0.00 0.00 179.25 179.62 2x42 h MET 103 N 0.20 0.80 -0.67 0.00 2.86 -1.07 -2.82 114.93 114.23 2x42 h MET 103 Ca 0.06 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2x42 h MET 103 Cb -0.00 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 2x42 h MET 103 CO -0.03 0.63 0.41 0.78 1.06 0.00 0.00 176.91 179.76 2x42 h GLY 104 N 0.76 0.96 1.23 8.32 0.00 0.42 0.99 103.07 115.75 2x42 h GLY 104 Ca 0.20 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 2x42 h GLY 104 CO -0.03 0.37 0.11 -2.09 0.00 0.00 0.00 176.54 174.91 2x42 h GLU 105 N 0.91 0.95 -0.20 4.80 4.81 -0.57 0.01 114.58 125.30 2x42 h GLU 105 Ca 0.24 -0.22 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 2x42 h GLU 105 Cb -0.04 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 2x42 h GLU 105 CO -0.05 0.87 -0.60 0.93 -0.73 0.00 0.00 179.01 179.43 2x42 h GLU 106 N 0.90 0.66 0.41 1.92 5.08 -1.10 -0.77 114.58 121.68 2x42 h GLU 106 Ca 0.19 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2x42 h GLU 106 Cb 0.37 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2x42 h GLU 106 CO 0.01 1.07 -0.23 0.28 -1.00 0.00 0.00 179.01 179.13 2x42 h VAL 107 N 0.50 0.52 0.30 3.13 2.07 -0.55 -1.73 116.25 120.50 2x42 h VAL 107 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2x42 h VAL 107 Cb 1.18 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2x42 h VAL 107 CO 0.12 0.00 -0.29 -0.09 0.02 0.00 0.00 177.57 177.33 2x42 h ARG 108 N -0.60 -0.60 0.00 1.57 2.43 -0.97 -1.37 114.38 114.85 2x42 h ARG 108 Ca -0.05 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2x42 h ARG 108 Cb 0.48 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2x42 h ARG 108 CO 0.06 -0.40 0.00 0.93 -1.51 0.00 0.00 179.97 179.05 2x42 h GLU 109 N -0.62 0.00 -0.64 0.20 4.39 -1.15 -1.71 114.58 115.05 2x42 h GLU 109 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2x42 h GLU 109 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2x42 h GLU 109 CO -0.05 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.46 2x42 n TYR 110 N -2.38 0.95 -1.36 4.33 4.01 -0.65 -0.59 117.16 121.46 2x42 n TYR 110 Ca 0.02 -0.45 -0.02 0.00 -0.16 0.00 0.00 57.90 57.30 2x42 n TYR 110 Cb 0.26 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.24 2x42 n TYR 110 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x42 n GLY 111 N 1.42 0.45 3.87 2.72 0.00 -0.64 -4.88 105.19 108.13 2x42 n GLY 111 Ca 0.22 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 2x42 n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x42 s VAL 112 N -2.07 5.12 -0.22 1.61 1.01 -0.53 -4.73 120.40 120.59 2x42 s VAL 112 Ca 0.00 0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.47 2x42 s VAL 112 Cb 0.00 -3.64 -0.21 0.00 0.00 0.00 0.00 36.38 32.53 2x42 s VAL 112 CO 0.00 0.26 -0.07 0.47 0.00 0.00 0.00 175.10 175.76 2x42 n ASP 113 N 0.82 0.96 -3.84 3.32 9.92 -0.06 -4.22 116.55 123.46 2x42 n ASP 113 Ca -0.08 -0.06 -0.20 0.00 -0.53 0.00 0.00 54.79 53.92 2x42 n ASP 113 Cb 0.52 0.35 -0.17 0.00 -0.64 0.00 0.00 41.12 41.19 2x42 n ASP 113 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2x42 s VAL 114 N -2.50 0.38 -0.12 2.53 1.01 -0.92 -1.52 120.40 119.27 2x42 s VAL 114 Ca -0.21 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 2x42 s VAL 114 Cb 0.07 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 2x42 s VAL 114 CO 0.71 0.21 0.50 -0.22 0.00 0.00 0.00 175.10 176.30 2x42 s LEU 115 N 1.22 4.27 -1.41 3.92 2.96 0.71 -1.81 118.68 128.55 2x42 s LEU 115 Ca -0.07 0.85 -0.12 0.00 -0.22 0.00 0.00 54.13 54.57 2x42 s LEU 115 Cb -0.14 -2.73 0.07 0.00 0.50 0.00 0.00 46.19 43.89 2x42 s LEU 115 CO -0.02 -0.02 2.19 0.18 -1.32 0.00 0.00 176.35 177.36 2x42 n LEU 116 N 3.73 7.02 -3.53 -0.68 4.77 0.97 -2.02 117.00 127.27 2x42 n LEU 116 Ca -0.06 -4.35 -0.10 0.00 -0.03 0.00 0.00 56.01 51.47 2x42 n LEU 116 Cb 0.52 -1.58 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 2x42 n LEU 116 CO 0.43 1.32 0.69 0.00 -1.33 0.00 0.00 177.39 178.50 2x42 s ALA 117 N 2.06 -1.85 0.31 -1.18 0.00 -1.02 -4.09 121.76 115.98 2x42 s ALA 117 Ca 0.47 1.21 -0.08 0.00 0.00 0.00 0.00 51.96 53.56 2x42 s ALA 117 Cb 0.13 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 23.23 2x42 s ALA 117 CO -0.06 -0.54 0.61 -1.25 0.00 0.00 0.00 175.76 174.52 2x42 s PRO 118 N -2.34 3.71 0.24 0.00 0.04 -1.19 -0.81 135.00 134.65 2x42 s PRO 118 Ca 0.01 0.20 -0.28 0.00 0.04 0.00 0.00 61.00 60.97 2x42 s PRO 118 Cb -0.01 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 2x42 s PRO 118 CO -0.04 0.17 0.91 0.00 0.04 0.00 0.00 177.00 178.07 2x42 s ALA 119 N -2.10 3.34 0.00 8.56 0.00 -1.26 -2.05 121.76 128.25 2x42 s ALA 119 Ca 0.47 0.54 0.10 0.00 0.00 0.00 0.00 51.96 53.07 2x42 s ALA 119 Cb -0.11 -3.15 0.17 0.00 0.00 0.00 0.00 23.12 20.04 2x42 s ALA 119 CO 0.28 0.22 1.02 0.00 0.00 0.00 0.00 175.76 177.29 2x42 n MET 120 N 1.31 0.00 -1.99 0.00 0.00 0.20 -4.37 117.12 112.26 2x42 n MET 120 Ca -0.02 -1.31 -0.37 0.00 0.00 0.00 0.00 57.70 56.00 2x42 n MET 120 Cb 0.48 0.18 0.03 0.00 0.00 0.00 0.00 33.22 33.90 2x42 n MET 120 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 2x42 s ASN 121 N -1.31 5.43 0.38 3.17 -0.87 -1.25 -4.85 114.94 115.63 2x42 s ASN 121 Ca 0.14 2.49 -0.26 0.00 -1.57 0.00 0.00 52.86 53.65 2x42 s ASN 121 Cb 0.16 -2.61 -0.09 0.00 -0.02 0.00 0.00 41.25 38.69 2x42 s ASN 121 CO -0.07 -1.44 1.19 -0.63 -2.57 0.00 0.00 177.10 173.58 2x42 s ILE 122 N -1.49 3.11 -1.23 0.60 -1.09 -1.26 -4.45 121.20 115.39 2x42 s ILE 122 Ca 0.73 0.98 -0.20 0.00 -2.23 0.00 0.00 60.65 59.92 2x42 s ILE 122 Cb -0.33 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 2x42 s ILE 122 CO 0.38 0.13 1.87 1.41 -1.23 0.00 0.00 174.94 177.50 2x42 n HIS 123 N 0.29 3.63 -0.09 3.97 8.25 -0.29 -4.74 115.22 126.24 2x42 n HIS 123 Ca 0.03 -2.26 -0.11 0.00 -0.26 0.00 0.00 57.72 55.12 2x42 n HIS 123 Cb 0.46 -2.55 -0.04 0.00 1.12 0.00 0.00 29.99 28.97 2x42 n HIS 123 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2x42 h ARG 124 N 8.24 0.49 -3.73 -0.41 2.43 -1.88 -3.41 114.38 116.11 2x42 h ARG 124 Ca 0.37 -0.17 -0.29 0.00 -0.81 0.00 0.00 59.98 59.09 2x42 h ARG 124 Cb 0.86 -0.04 -0.31 0.00 -0.42 0.00 0.00 29.97 30.06 2x42 h ARG 124 CO 1.45 0.67 -0.73 1.21 -1.51 0.00 0.00 179.97 181.06 2x42 s ASN 125 N -6.02 0.18 0.12 -3.80 3.84 -1.26 -4.64 114.94 103.35 2x42 s ASN 125 Ca -0.13 -0.00 0.14 0.00 0.21 0.00 0.00 52.86 53.07 2x42 s ASN 125 Cb 0.08 -0.08 0.63 0.00 -0.55 0.00 0.00 41.25 41.34 2x42 s ASN 125 CO 0.76 -0.05 1.43 -0.81 -2.79 0.00 0.00 177.10 175.64 2x42 n PRO 126 N 3.63 0.07 0.03 0.43 -0.04 -1.26 -2.39 135.00 135.47 2x42 n PRO 126 Ca -0.20 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 2x42 n PRO 126 Cb 0.55 -1.67 0.44 0.00 -0.04 0.00 0.00 33.50 32.78 2x42 n PRO 126 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2x42 n LEU 127 N -1.80 0.35 -4.68 1.53 4.77 -1.26 -4.64 117.00 111.27 2x42 n LEU 127 Ca 0.01 0.37 -0.45 0.00 -0.03 0.00 0.00 56.01 55.92 2x42 n LEU 127 Cb 0.11 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 2x42 n LEU 127 CO 0.11 -0.01 1.31 0.00 -1.33 0.00 0.00 177.39 177.46 2x42 h GLY 129 N 6.93 0.00 -1.50 0.00 0.00 -1.82 -2.49 103.07 104.19 2x42 h GLY 129 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2x42 h GLY 129 CO 0.92 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.00 2x42 n ARG 130 N -3.11 2.78 -0.30 4.80 1.74 -1.26 -2.47 116.66 118.84 2x42 n ARG 130 Ca -0.02 -2.13 0.16 0.00 -0.77 0.00 0.00 57.85 55.10 2x42 n ARG 130 Cb 0.15 -1.32 0.42 0.00 -1.02 0.00 0.00 32.46 30.69 2x42 n ARG 130 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2x42 h ASN 131 N 2.41 0.59 -0.82 0.55 2.35 -1.76 -0.58 115.58 118.33 2x42 h ASN 131 Ca 0.00 0.07 0.16 0.00 -0.55 0.00 0.00 56.30 55.98 2x42 h ASN 131 Cb 0.77 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 39.04 2x42 h ASN 131 CO 0.00 0.22 0.54 2.19 -1.65 0.00 0.00 177.43 178.74 2x42 h PHE 132 N 0.58 0.57 -0.59 1.19 -0.00 -1.78 -0.88 116.94 116.03 2x42 h PHE 132 Ca 0.52 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.51 2x42 h PHE 132 Cb 1.04 -0.18 0.00 0.00 -0.00 0.00 0.00 35.95 36.82 2x42 h PHE 132 CO -0.00 0.20 0.00 -0.85 -0.00 0.00 0.00 178.31 177.65 2x42 n GLU 133 N -4.50 4.52 -4.33 6.09 0.28 -0.23 -1.62 120.64 120.84 2x42 n GLU 133 Ca 0.16 -3.09 -0.24 0.00 -0.16 0.00 0.00 57.16 53.84 2x42 n GLU 133 Cb 0.56 -2.15 -0.08 0.00 1.43 0.00 0.00 31.44 31.20 2x42 n GLU 133 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2x42 s TYR 134 N -2.52 2.56 -0.14 -1.84 2.02 -0.34 -4.32 117.35 112.78 2x42 s TYR 134 Ca 0.53 -0.34 -0.17 0.00 -0.37 0.00 0.00 57.07 56.72 2x42 s TYR 134 Cb 0.39 -1.31 -0.15 0.00 -0.40 0.00 0.00 41.96 40.49 2x42 s TYR 134 CO 0.18 0.56 0.33 1.88 -1.57 0.00 0.00 175.55 176.93 2x42 h TYR 135 N 1.90 0.00 -3.04 2.71 0.05 -1.78 -2.72 116.97 114.09 2x42 h TYR 135 Ca -0.43 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.38 2x42 h TYR 135 Cb 1.25 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.91 2x42 h TYR 135 CO 0.71 0.68 0.20 0.45 -1.05 0.00 0.00 178.16 179.15 2x42 s SER 136 N -6.09 -0.37 0.00 3.88 0.15 -1.26 -4.62 113.70 105.39 2x42 s SER 136 Ca -0.15 -0.38 0.28 0.00 0.70 0.00 0.00 55.95 56.40 2x42 s SER 136 Cb 0.00 0.67 0.99 0.00 -1.71 0.00 0.00 66.02 65.97 2x42 s SER 136 CO 0.42 -1.18 1.71 -1.84 1.20 0.00 0.00 173.24 173.54 2x42 n GLU 137 N -0.42 1.13 -4.89 5.44 0.28 -1.00 -1.13 120.64 120.05 2x42 n GLU 137 Ca -0.09 -0.61 -0.33 0.00 -0.16 0.00 0.00 57.16 55.97 2x42 n GLU 137 Cb 0.62 -1.49 -0.15 0.00 1.43 0.00 0.00 31.44 31.85 2x42 n GLU 137 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2x42 s ASP 138 N -2.29 3.82 0.40 -1.84 2.15 -1.26 -4.71 116.67 112.94 2x42 s ASP 138 Ca 0.31 -0.36 0.21 0.00 0.43 0.00 0.00 52.55 53.15 2x42 s ASP 138 Cb 0.20 -1.45 0.75 0.00 -0.30 0.00 0.00 42.92 42.12 2x42 s ASP 138 CO 0.44 0.19 1.76 1.55 -0.17 0.00 0.00 175.17 178.93 2x42 h PRO 139 N 6.50 0.00 -0.01 4.34 0.13 -1.87 -1.29 132.00 139.81 2x42 h PRO 139 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 2x42 h PRO 139 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2x42 h PRO 139 CO 0.53 0.30 -0.12 0.28 -0.23 0.00 0.00 178.00 178.76 2x42 h VAL 140 N 0.00 1.56 -0.05 1.56 2.07 -1.92 0.12 116.25 119.60 2x42 h VAL 140 Ca -0.00 -1.83 0.02 0.00 0.82 0.00 0.00 66.70 65.71 2x42 h VAL 140 Cb 0.86 2.75 -0.03 0.00 -1.52 0.00 0.00 31.29 33.35 2x42 h VAL 140 CO 0.04 0.49 -0.10 0.25 0.02 0.00 0.00 177.57 178.27 2x42 h LEU 141 N -0.60 -0.31 0.06 2.57 5.85 -1.92 -0.78 115.31 120.18 2x42 h LEU 141 Ca -0.01 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2x42 h LEU 141 Cb 0.87 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2x42 h LEU 141 CO 0.02 -0.15 -0.14 -1.28 -0.34 0.00 0.00 178.44 176.56 2x42 h SER 142 N -0.16 -0.38 -0.92 1.25 0.87 -1.29 -1.12 113.55 111.81 2x42 h SER 142 Ca 0.05 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 2x42 h SER 142 Cb 0.23 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.29 2x42 h SER 142 CO -0.14 -0.20 0.60 1.23 -0.53 0.00 0.00 176.83 177.79 2x42 h GLY 143 N -0.26 1.32 1.48 5.77 0.00 -0.66 -1.12 103.07 109.60 2x42 h GLY 143 Ca 0.03 -0.46 -0.22 0.00 0.00 0.00 0.00 47.33 46.68 2x42 h GLY 143 CO -0.09 0.42 -0.87 0.83 0.00 0.00 0.00 176.54 176.82 2x42 h GLU 144 N 1.19 0.49 -0.39 4.80 4.39 -0.91 -0.81 114.58 123.34 2x42 h GLU 144 Ca 0.36 -0.47 -0.10 0.00 0.34 0.00 0.00 59.36 59.49 2x42 h GLU 144 Cb -0.04 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2x42 h GLU 144 CO -0.10 1.11 -0.13 0.52 -1.16 0.00 0.00 179.01 179.25 2x42 h MET 145 N 0.30 0.78 -0.27 2.33 2.86 -1.09 -2.53 114.93 117.31 2x42 h MET 145 Ca -0.07 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2x42 h MET 145 Cb 1.49 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.10 2x42 h MET 145 CO 0.16 0.93 0.17 0.00 1.06 0.00 0.00 176.91 179.22 2x42 h ALA 146 N 0.83 0.34 -0.40 6.32 0.00 -1.13 -1.41 119.26 123.81 2x42 h ALA 146 Ca 0.10 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2x42 h ALA 146 Cb 0.66 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2x42 h ALA 146 CO 0.05 -0.17 0.16 0.77 0.00 0.00 0.00 179.25 180.06 2x42 h SER 147 N 0.35 0.20 -0.51 0.00 0.02 -1.13 0.22 113.55 112.70 2x42 h SER 147 Ca 0.10 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2x42 h SER 147 Cb -0.01 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2x42 h SER 147 CO -0.02 0.15 0.33 0.28 -1.14 0.00 0.00 176.83 176.44 2x42 h SER 148 N 0.34 0.60 -0.16 3.07 0.02 -1.27 -1.46 113.55 114.70 2x42 h SER 148 Ca 0.18 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2x42 h SER 148 Cb 0.14 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2x42 h SER 148 CO -0.17 0.45 0.08 0.15 -1.14 0.00 0.00 176.83 176.20 2x42 h PHE 149 N 0.69 0.22 -0.50 3.45 3.57 -0.71 -2.29 116.94 121.38 2x42 h PHE 149 Ca 0.19 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.71 2x42 h PHE 149 Cb -0.06 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 2x42 h PHE 149 CO -0.03 0.25 0.27 0.28 -2.23 0.00 0.00 178.31 176.85 2x42 h VAL 150 N 0.13 1.00 -0.89 1.41 2.07 -0.82 -0.89 116.25 118.26 2x42 h VAL 150 Ca 0.05 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2x42 h VAL 150 Cb 0.11 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 2x42 h VAL 150 CO -0.01 0.10 0.56 0.11 0.02 0.00 0.00 177.57 178.35 2x42 h LYS 151 N 0.54 0.99 0.20 1.57 1.57 -1.19 -0.43 116.57 119.82 2x42 h LYS 151 Ca 0.21 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2x42 h LYS 151 Cb 0.08 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2x42 h LYS 151 CO -0.13 0.66 -0.09 0.78 -0.57 0.00 0.00 179.45 180.10 2x42 h GLY 152 N 1.02 -0.27 0.77 3.86 0.00 -0.75 -1.62 103.07 106.08 2x42 h GLY 152 Ca 0.39 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.85 2x42 h GLY 152 CO -0.17 -0.10 0.15 -2.08 0.00 0.00 0.00 176.54 174.34 2x42 h VAL 153 N -0.35 0.95 0.00 4.60 2.07 -0.92 -2.96 116.25 119.63 2x42 h VAL 153 Ca -0.03 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2x42 h VAL 153 Cb 0.27 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2x42 h VAL 153 CO 0.04 0.06 -0.03 0.00 0.02 0.00 0.00 177.57 177.66 2x42 n GLN 154 N -4.98 0.05 0.01 1.57 6.02 -0.19 -1.59 117.38 118.27 2x42 n GLN 154 Ca 0.01 0.04 0.07 0.00 -0.01 0.00 0.00 57.00 57.11 2x42 n GLN 154 Cb 0.10 -1.56 0.29 0.00 1.02 0.00 0.00 30.24 30.09 2x42 n GLN 154 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2x42 n SER 155 N -1.66 0.06 -1.28 1.08 3.41 -0.61 -2.82 113.62 111.79 2x42 n SER 155 Ca 0.07 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 2x42 n SER 155 Cb 0.36 -0.53 0.30 0.00 -0.26 0.00 0.00 64.21 64.08 2x42 n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x42 n GLN 156 N -1.57 2.73 -0.87 4.33 1.13 -0.62 -4.93 117.38 117.57 2x42 n GLN 156 Ca 0.03 -2.59 0.00 0.00 -1.94 0.00 0.00 57.00 52.49 2x42 n GLN 156 Cb 0.15 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 28.96 2x42 n GLN 156 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2x42 n GLY 157 N 1.55 0.53 3.62 1.08 0.00 -1.13 -4.82 105.19 106.02 2x42 n GLY 157 Ca 0.23 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 2x42 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x42 s VAL 158 N -2.00 1.34 0.04 1.61 -7.23 -1.26 -4.05 120.40 108.86 2x42 s VAL 158 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 2x42 s VAL 158 Cb 0.00 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 2x42 s VAL 158 CO 0.00 0.00 0.03 -0.83 -0.31 0.00 0.00 175.10 173.99 2x42 s GLY 159 N -3.71 1.95 0.39 2.32 0.00 -0.57 -4.04 107.32 103.65 2x42 s GLY 159 Ca 0.23 -1.00 0.06 0.00 0.00 0.00 0.00 44.72 44.01 2x42 s GLY 159 CO 0.12 -0.93 0.55 0.00 0.00 0.00 0.00 173.10 172.84 2x42 s ALA 160 N -1.24 4.22 -0.20 3.20 0.00 -1.26 -0.21 121.76 126.27 2x42 s ALA 160 Ca 0.24 -1.45 -0.04 0.00 0.00 0.00 0.00 51.96 50.71 2x42 s ALA 160 Cb -0.12 -1.76 0.08 0.00 0.00 0.00 0.00 23.12 21.32 2x42 s ALA 160 CO 0.16 -0.20 0.15 0.00 0.00 0.00 0.00 175.76 175.87 2x42 s ILE 162 N 2.21 4.25 0.08 0.00 -4.36 -0.95 -2.44 121.20 119.99 2x42 s ILE 162 Ca 0.05 1.87 -0.11 0.00 -0.26 0.00 0.00 60.65 62.20 2x42 s ILE 162 Cb -0.16 -4.19 0.01 0.00 1.25 0.00 0.00 42.46 39.37 2x42 s ILE 162 CO -0.14 0.29 0.25 -1.59 0.24 0.00 0.00 174.94 173.98 2x42 s LYS 163 N -0.04 0.86 -0.17 0.37 -2.85 -0.87 -1.47 119.74 115.57 2x42 s LYS 163 Ca 0.49 -0.78 -0.04 0.00 -1.00 0.00 0.00 55.97 54.64 2x42 s LYS 163 Cb -0.26 0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 35.85 2x42 s LYS 163 CO 0.32 -0.29 -0.03 -1.01 0.10 0.00 0.00 175.35 174.44 2x42 s HIS 164 N -3.42 3.01 -0.47 1.78 0.09 -1.26 0.59 115.29 115.61 2x42 s HIS 164 Ca 0.01 -0.41 -0.20 0.00 -0.00 0.00 0.00 55.06 54.46 2x42 s HIS 164 Cb 0.02 -1.99 0.04 0.00 -0.00 0.00 0.00 32.58 30.65 2x42 s HIS 164 CO -0.09 -0.14 0.62 0.12 -0.00 0.00 0.00 174.74 175.26 2x42 s PHE 165 N 0.61 3.06 0.22 1.40 5.36 0.21 -4.03 117.98 124.81 2x42 s PHE 165 Ca -0.02 -0.30 -0.07 0.00 -0.96 0.00 0.00 56.93 55.57 2x42 s PHE 165 Cb -0.14 -3.41 -0.02 0.00 -0.34 0.00 0.00 43.02 39.11 2x42 s PHE 165 CO 0.02 -0.94 0.31 0.54 -1.46 0.00 0.00 175.22 173.70 2x42 s VAL 166 N 2.71 0.00 -1.31 3.12 0.11 -1.26 -0.10 120.40 123.67 2x42 s VAL 166 Ca 0.18 -1.67 -0.04 0.00 -2.93 0.00 0.00 61.98 57.53 2x42 s VAL 166 Cb -0.17 -2.31 0.00 0.00 -1.53 0.00 0.00 36.38 32.38 2x42 s VAL 166 CO 0.15 -0.02 0.57 0.00 -3.33 0.00 0.00 175.10 172.47 2x42 n ALA 167 N -0.32 -0.85 -2.59 1.54 0.00 -1.26 -4.82 120.51 112.21 2x42 n ALA 167 Ca -0.00 0.26 -0.43 0.00 0.00 0.00 0.00 53.44 53.26 2x42 n ALA 167 Cb 0.64 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 16.55 2x42 n ALA 167 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2x42 n ASN 168 N -1.92 5.25 -1.17 0.00 4.05 -1.26 -4.74 115.26 115.46 2x42 n ASN 168 Ca -0.09 -3.10 0.08 0.00 0.45 0.00 0.00 54.58 51.93 2x42 n ASN 168 Cb 0.60 -1.48 0.28 0.00 1.23 0.00 0.00 39.78 40.41 2x42 n ASN 168 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2x42 n ASN 169 N 4.12 4.17 -3.65 1.20 4.13 -1.26 -4.89 115.26 119.09 2x42 n ASN 169 Ca 0.37 -2.61 -0.13 0.00 1.68 0.00 0.00 54.58 53.89 2x42 n ASN 169 Cb 0.38 -0.50 -0.06 0.00 -1.54 0.00 0.00 39.78 38.05 2x42 n ASN 169 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2x42 s GLN 170 N -2.13 0.94 -0.10 3.52 -2.07 -1.26 -4.68 119.66 113.88 2x42 s GLN 170 Ca 0.42 -0.36 0.08 0.00 -1.82 0.00 0.00 55.36 53.68 2x42 s GLN 170 Cb 0.30 0.42 -0.24 0.00 -1.09 0.00 0.00 33.01 32.40 2x42 s GLN 170 CO 0.16 -0.33 0.42 0.39 -1.32 0.00 0.00 175.29 174.61 2x42 n GLU 171 N 0.45 0.67 -1.59 9.60 -0.58 -1.26 -4.63 120.64 123.30 2x42 n GLU 171 Ca -0.18 0.23 -0.50 0.00 -0.42 0.00 0.00 57.16 56.28 2x42 n GLU 171 Cb 0.60 -1.71 -0.06 0.00 -0.57 0.00 0.00 31.44 29.70 2x42 n GLU 171 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2x42 n THR 172 N -3.11 0.36 -3.70 2.62 -1.04 -1.26 -1.50 114.28 106.65 2x42 n THR 172 Ca -0.25 -0.19 -0.28 0.00 -2.04 0.00 0.00 64.05 61.29 2x42 n THR 172 Cb 1.06 -1.73 0.03 0.00 -1.82 0.00 0.00 70.33 67.87 2x42 n THR 172 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2x42 n ASN 173 N 8.10 -4.98 0.15 8.00 5.03 -1.26 -4.82 115.26 125.48 2x42 n ASN 173 Ca 0.31 -0.64 0.06 0.00 0.87 0.00 0.00 54.58 55.18 2x42 n ASN 173 Cb 0.25 -3.99 0.53 0.00 -1.02 0.00 0.00 39.78 35.55 2x42 n ASN 173 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.26 175.51 2x42 h ARG 174 N -1.90 0.21 0.00 3.52 0.11 -1.53 0.23 114.38 115.03 2x42 h ARG 174 Ca -0.55 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.51 2x42 h ARG 174 Cb 1.36 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2x42 h ARG 174 CO 0.63 0.18 0.00 -1.33 0.10 0.00 0.00 179.97 179.55 2x42 n MET 175 N -4.47 0.70 0.00 0.08 2.81 -1.26 -2.07 117.12 112.90 2x42 n MET 175 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2x42 n MET 175 Cb 0.12 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 2x42 n MET 175 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 2x42 n VAL 176 N -1.14 0.00 -1.89 2.03 3.14 -0.77 -4.79 118.33 114.92 2x42 n VAL 176 Ca 0.19 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.16 2x42 n VAL 176 Cb 0.17 -0.21 -0.01 0.00 -1.06 0.00 0.00 33.84 32.73 2x42 n VAL 176 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2x42 s VAL 177 N -1.31 2.23 -0.25 1.55 0.11 0.75 -4.60 120.40 118.88 2x42 s VAL 177 Ca 0.00 0.23 -0.17 0.00 -2.93 0.00 0.00 61.98 59.11 2x42 s VAL 177 Cb 0.00 -3.15 -0.03 0.00 -1.53 0.00 0.00 36.38 31.67 2x42 s VAL 177 CO 0.00 0.05 0.48 -0.62 -3.33 0.00 0.00 175.10 171.69 2x42 s ASP 178 N -0.19 6.41 -0.36 3.54 2.15 -0.07 -1.34 116.67 126.81 2x42 s ASP 178 Ca 0.52 0.49 -0.14 0.00 0.43 0.00 0.00 52.55 53.85 2x42 s ASP 178 Cb -0.45 -2.27 -0.01 0.00 -0.30 0.00 0.00 42.92 39.90 2x42 s ASP 178 CO 0.60 -0.25 0.30 -0.89 -0.17 0.00 0.00 175.17 174.76 2x42 s THR 179 N 2.15 5.23 -0.35 1.71 2.01 -0.28 -1.35 115.64 124.76 2x42 s THR 179 Ca 0.20 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 2x42 s THR 179 Cb -0.16 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 2x42 s THR 179 CO 0.09 -0.11 0.28 -0.63 -0.69 0.00 0.00 174.62 173.57 2x42 s ILE 180 N 1.84 5.25 -0.08 1.82 -1.09 -0.17 -0.26 121.20 128.51 2x42 s ILE 180 Ca 0.08 -0.18 -0.05 0.00 -2.23 0.00 0.00 60.65 58.27 2x42 s ILE 180 Cb -0.17 -3.77 0.03 0.00 -1.58 0.00 0.00 42.46 36.97 2x42 s ILE 180 CO 0.11 -0.06 0.21 -0.69 -1.23 0.00 0.00 174.94 173.28 2x42 s VAL 181 N 1.81 -0.03 0.74 2.92 1.01 -1.26 -0.79 120.40 124.80 2x42 s VAL 181 Ca 0.08 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 2x42 s VAL 181 Cb -0.17 -0.31 0.04 0.00 0.00 0.00 0.00 36.38 35.94 2x42 s VAL 181 CO 0.11 0.04 1.15 -0.94 0.00 0.00 0.00 175.10 175.45 2x42 s SER 182 N 0.76 4.36 0.45 3.32 1.04 -1.26 -4.84 113.70 117.54 2x42 s SER 182 Ca -0.05 2.12 0.12 0.00 0.48 0.00 0.00 55.95 58.61 2x42 s SER 182 Cb -0.07 -2.56 1.03 0.00 0.10 0.00 0.00 66.02 64.52 2x42 s SER 182 CO -0.04 -2.14 2.07 -0.08 0.98 0.00 0.00 173.24 174.02 2x42 h GLU 183 N -0.56 0.22 -0.37 4.02 4.81 -1.99 -1.81 114.58 118.90 2x42 h GLU 183 Ca -0.46 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.69 2x42 h GLU 183 Cb 1.26 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2x42 h GLU 183 CO 0.50 0.20 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.89 2x42 h ARG 184 N 0.22 0.65 -0.66 1.92 2.43 -1.90 0.44 114.38 117.47 2x42 h ARG 184 Ca 0.06 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 2x42 h ARG 184 Cb 0.07 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2x42 h ARG 184 CO -0.00 0.76 0.27 0.00 -1.51 0.00 0.00 179.97 179.49 2x42 h ALA 185 N 0.87 0.86 0.25 2.80 0.00 -1.84 -0.62 119.26 121.58 2x42 h ALA 185 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2x42 h ALA 185 Cb 0.46 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2x42 h ALA 185 CO 0.02 0.47 -0.25 -0.07 0.00 0.00 0.00 179.25 179.42 2x42 h LEU 186 N 0.94 -0.66 -0.83 0.00 3.38 -1.11 0.12 115.31 117.14 2x42 h LEU 186 Ca 0.22 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 2x42 h LEU 186 Cb 0.19 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2x42 h LEU 186 CO -0.02 -0.36 -0.49 0.03 0.09 0.00 0.00 178.44 177.69 2x42 h ARG 187 N -0.53 0.23 0.01 1.13 3.08 -0.71 0.47 114.38 118.05 2x42 h ARG 187 Ca -0.01 -0.13 -0.27 0.00 0.07 0.00 0.00 59.98 59.65 2x42 h ARG 187 Cb 0.49 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 2x42 h ARG 187 CO -0.05 0.67 -1.51 0.93 -1.07 0.00 0.00 179.97 178.94 2x42 h GLU 188 N 0.18 0.02 0.00 0.04 5.08 -1.10 -3.34 114.58 115.47 2x42 h GLU 188 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2x42 h GLU 188 Cb 0.93 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2x42 h GLU 188 CO 0.07 0.70 -0.16 -0.89 -1.00 0.00 0.00 179.01 177.73 2x42 n ILE 189 N -3.17 1.20 0.01 3.13 2.08 0.01 -4.66 119.36 117.96 2x42 n ILE 189 Ca -0.13 0.35 -0.20 0.00 0.56 0.00 0.00 62.75 63.33 2x42 n ILE 189 Cb 1.02 -1.68 -0.14 0.00 -0.75 0.00 0.00 39.64 38.09 2x42 n ILE 189 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 2x42 h TYR 190 N -0.16 0.40 0.00 1.39 0.05 -1.23 -3.30 116.97 114.12 2x42 h TYR 190 Ca 0.00 -0.29 -0.10 0.00 0.05 0.00 0.00 58.73 58.39 2x42 h TYR 190 Cb 0.16 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 2x42 h TYR 190 CO -0.07 1.34 -0.48 -0.07 -1.05 0.00 0.00 178.16 177.84 2x42 h LEU 191 N -0.49 0.00 -0.56 3.88 3.38 -0.33 -3.38 115.31 117.82 2x42 h LEU 191 Ca -0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2x42 h LEU 191 Cb 1.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 2x42 h LEU 191 CO 0.08 0.48 0.32 -0.09 0.09 0.00 0.00 178.44 179.32 2x42 h ARG 192 N 0.00 0.77 -0.70 1.13 9.65 -1.64 0.21 114.38 123.81 2x42 h ARG 192 Ca -0.00 -0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 58.76 2x42 h ARG 192 Cb 1.03 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.42 2x42 h ARG 192 CO 0.06 0.57 0.28 0.78 2.80 0.00 0.00 179.97 184.47 2x42 h GLY 193 N 0.76 1.12 1.25 2.80 0.00 -1.71 -1.69 103.07 105.58 2x42 h GLY 193 Ca 0.20 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 2x42 h GLY 193 CO -0.04 0.57 0.09 0.74 0.00 0.00 0.00 176.54 177.90 2x42 h PHE 194 N 0.99 0.97 -0.18 5.60 0.04 -1.57 -1.28 116.94 121.51 2x42 h PHE 194 Ca 0.23 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.90 2x42 h PHE 194 Cb 0.20 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 2x42 h PHE 194 CO 0.01 0.83 0.08 1.49 -0.60 0.00 0.00 178.31 180.13 2x42 h GLU 195 N 0.87 0.18 -0.24 1.51 4.81 -0.57 0.16 114.58 121.30 2x42 h GLU 195 Ca 0.18 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2x42 h GLU 195 Cb 0.39 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2x42 h GLU 195 CO 0.01 0.12 0.11 0.82 -0.73 0.00 0.00 179.01 179.34 2x42 h ILE 196 N 0.18 0.98 -0.54 2.32 2.04 -1.07 -1.14 117.51 120.28 2x42 h ILE 196 Ca 0.07 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2x42 h ILE 196 Cb 0.02 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2x42 h ILE 196 CO -0.06 0.04 0.25 0.00 0.00 0.00 0.00 178.15 178.39 2x42 h ALA 197 N 1.13 0.70 -0.36 1.87 0.00 -0.93 -0.31 119.26 121.36 2x42 h ALA 197 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2x42 h ALA 197 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2x42 h ALA 197 CO -0.08 0.27 0.18 0.28 0.00 0.00 0.00 179.25 179.91 2x42 h VAL 198 N 0.73 1.15 -0.00 0.00 2.07 -0.53 -0.69 116.25 118.99 2x42 h VAL 198 Ca 0.19 -0.42 -0.20 0.00 0.82 0.00 0.00 66.70 67.08 2x42 h VAL 198 Cb 0.14 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2x42 h VAL 198 CO -0.02 0.16 -0.87 0.11 0.02 0.00 0.00 177.57 176.97 2x42 h LYS 199 N 0.44 0.25 0.02 1.57 1.57 -1.03 -2.77 116.57 116.62 2x42 h LYS 199 Ca 0.12 -0.26 -0.32 0.00 -1.87 0.00 0.00 60.65 58.32 2x42 h LYS 199 Cb 0.09 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 2x42 h LYS 199 CO -0.02 0.98 -1.89 1.63 -0.57 0.00 0.00 179.45 179.57 2x42 n LYS 200 N -3.69 0.66 -0.00 3.15 5.02 -0.14 -4.61 118.16 118.54 2x42 n LYS 200 Ca -0.04 0.24 0.01 0.00 -2.02 0.00 0.00 58.31 56.50 2x42 n LYS 200 Cb 0.80 -1.73 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 2x42 n LYS 200 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2x42 n SER 201 N -3.09 2.06 -3.51 4.39 3.41 -0.28 -5.04 113.62 111.57 2x42 n SER 201 Ca -0.23 -0.31 -0.24 0.00 -0.26 0.00 0.00 58.87 57.84 2x42 n SER 201 Cb 1.06 1.05 0.05 0.00 -0.26 0.00 0.00 64.21 66.11 2x42 n SER 201 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2x42 n LYS 202 N -1.29 -1.52 -1.87 4.33 5.02 -1.05 -4.71 118.16 117.07 2x42 n LYS 202 Ca 0.00 0.69 -0.39 0.00 -2.02 0.00 0.00 58.31 56.59 2x42 n LYS 202 Cb 0.05 -4.66 0.02 0.00 -0.02 0.00 0.00 35.03 30.42 2x42 n LYS 202 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2x42 s PRO 203 N -5.20 3.42 0.33 1.97 0.04 -1.26 -4.89 135.00 129.42 2x42 s PRO 203 Ca 0.40 2.22 0.03 0.00 0.04 0.00 0.00 61.00 63.69 2x42 s PRO 203 Cb -0.11 -2.42 0.63 0.00 0.04 0.00 0.00 34.50 32.63 2x42 s PRO 203 CO 0.82 -0.96 1.94 -1.49 0.04 0.00 0.00 177.00 177.35 2x42 h TRP 204 N 1.86 0.91 -4.05 0.56 4.06 -1.90 -3.41 115.95 113.97 2x42 h TRP 204 Ca -0.51 0.02 -0.11 0.00 2.06 0.00 0.00 58.89 60.36 2x42 h TRP 204 Cb 1.28 -0.30 -0.14 0.00 -1.00 0.00 0.00 29.16 29.00 2x42 h TRP 204 CO 0.48 0.48 -0.52 -1.54 -3.56 0.00 0.00 178.44 173.78 2x42 s SER 205 N -6.12 0.29 -0.02 -3.49 1.04 -1.00 -2.09 113.70 102.31 2x42 s SER 205 Ca -0.11 -0.86 0.04 0.00 0.48 0.00 0.00 55.95 55.50 2x42 s SER 205 Cb 0.19 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 2x42 s SER 205 CO 0.79 -0.68 -0.16 -0.69 0.98 0.00 0.00 173.24 173.47 2x42 s VAL 206 N -3.91 1.27 -0.28 5.02 1.01 -0.59 -2.24 120.40 120.68 2x42 s VAL 206 Ca 0.08 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2x42 s VAL 206 Cb 0.06 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2x42 s VAL 206 CO -0.09 0.37 0.15 -0.32 0.00 0.00 0.00 175.10 175.21 2x42 s MET 207 N -0.17 3.67 0.38 2.72 1.75 -0.54 -0.48 119.30 126.63 2x42 s MET 207 Ca 0.02 -0.49 -0.26 0.00 -1.25 0.00 0.00 55.69 53.71 2x42 s MET 207 Cb -0.08 -3.56 -0.09 0.00 2.84 0.00 0.00 34.83 33.94 2x42 s MET 207 CO 0.00 -0.27 1.13 -1.54 -0.65 0.00 0.00 175.02 173.70 2x42 s SER 208 N 1.68 6.70 0.70 1.11 1.04 0.02 -0.62 113.70 124.32 2x42 s SER 208 Ca 0.06 2.27 -0.11 0.00 0.48 0.00 0.00 55.95 58.65 2x42 s SER 208 Cb -0.16 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.36 2x42 s SER 208 CO 0.08 -0.54 1.06 0.00 0.98 0.00 0.00 173.24 174.82 2x42 s ALA 209 N -1.43 2.74 0.21 5.32 0.00 0.86 -1.88 121.76 127.58 2x42 s ALA 209 Ca 0.55 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 2x42 s ALA 209 Cb -0.29 -3.11 0.14 0.00 0.00 0.00 0.00 23.12 19.85 2x42 s ALA 209 CO 0.36 -1.16 1.74 1.88 0.00 0.00 0.00 175.76 178.59 2x42 h TYR 210 N -0.67 1.21 -4.33 0.00 0.05 -1.91 -3.32 116.97 108.00 2x42 h TYR 210 Ca -0.45 -0.12 -0.51 0.00 0.05 0.00 0.00 58.73 57.70 2x42 h TYR 210 Cb 1.22 -0.35 0.10 0.00 1.01 0.00 0.00 36.73 38.72 2x42 h TYR 210 CO 0.58 0.95 0.36 0.54 -1.05 0.00 0.00 178.16 179.54 2x42 s ASN 211 N -6.41 5.14 0.46 3.88 2.20 -0.88 -4.52 114.94 114.81 2x42 s ASN 211 Ca -0.12 1.64 -0.19 0.00 -0.94 0.00 0.00 52.86 53.25 2x42 s ASN 211 Cb 0.15 -2.48 -0.10 0.00 -2.00 0.00 0.00 41.25 36.83 2x42 s ASN 211 CO 0.84 -1.60 0.96 -0.54 -2.94 0.00 0.00 177.10 173.82 2x42 s LYS 212 N -5.02 4.12 -0.22 3.55 1.02 -0.45 -1.82 119.74 120.92 2x42 s LYS 212 Ca 0.59 1.06 0.01 0.00 0.02 0.00 0.00 55.97 57.64 2x42 s LYS 212 Cb -0.15 -2.16 0.05 0.00 -0.52 0.00 0.00 37.83 35.05 2x42 s LYS 212 CO 0.55 -0.12 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.62 2x42 s LEU 213 N -3.53 2.46 -1.47 3.17 2.96 0.11 -1.13 118.68 121.25 2x42 s LEU 213 Ca 0.61 -1.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.38 2x42 s LEU 213 Cb -0.09 -1.19 0.05 0.00 0.50 0.00 0.00 46.19 45.46 2x42 s LEU 213 CO 0.20 -0.21 0.72 0.59 -1.32 0.00 0.00 176.35 176.33 2x42 n ASN 214 N 4.68 -2.33 0.00 3.68 3.02 0.64 -2.49 115.26 122.46 2x42 n ASN 214 Ca -0.13 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 2x42 n ASN 214 Cb 0.45 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 2x42 n ASN 214 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x42 n GLY 215 N -1.70 1.76 2.98 7.41 0.00 -1.26 -5.05 105.19 109.33 2x42 n GLY 215 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 2x42 n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x42 s LYS 216 N -0.85 1.61 0.20 1.61 1.02 -1.04 -5.05 119.74 117.25 2x42 s LYS 216 Ca 0.00 -0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.33 2x42 s LYS 216 Cb 0.00 -1.43 -0.16 0.00 -0.52 0.00 0.00 37.83 35.72 2x42 s LYS 216 CO 0.00 -0.06 0.87 0.66 -0.92 0.00 0.00 175.35 175.89 2x42 n TYR 217 N 4.15 0.57 -0.13 3.18 4.01 -1.26 0.09 117.16 127.77 2x42 n TYR 217 Ca -0.20 0.83 -0.00 0.00 -0.16 0.00 0.00 57.90 58.37 2x42 n TYR 217 Cb 0.51 -2.13 0.26 0.00 -0.31 0.00 0.00 39.34 37.67 2x42 n TYR 217 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2x42 n SER 219 N -4.37 0.55 -0.42 0.00 3.41 -1.25 -2.50 113.62 109.05 2x42 n SER 219 Ca 0.05 0.64 0.07 0.00 -0.26 0.00 0.00 58.87 59.37 2x42 n SER 219 Cb 0.12 -0.76 0.13 0.00 -0.26 0.00 0.00 64.21 63.45 2x42 n SER 219 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x42 n GLN 220 N -2.12 1.07 -3.49 4.33 6.02 -0.24 -4.27 117.38 118.68 2x42 n GLN 220 Ca 0.02 -2.52 -0.42 0.00 -0.01 0.00 0.00 57.00 54.07 2x42 n GLN 220 Cb 0.21 -1.25 -0.08 0.00 1.02 0.00 0.00 30.24 30.13 2x42 n GLN 220 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2x42 s ASN 221 N -2.64 5.86 0.15 1.08 3.84 -0.17 -4.75 114.94 118.31 2x42 s ASN 221 Ca 0.29 -1.65 -0.12 0.00 0.21 0.00 0.00 52.86 51.60 2x42 s ASN 221 Cb 0.28 -2.07 0.01 0.00 -0.55 0.00 0.00 41.25 38.91 2x42 s ASN 221 CO -0.02 -0.67 1.57 -0.08 -2.79 0.00 0.00 177.10 175.11 2x42 h GLU 222 N 8.58 0.89 -0.81 0.43 4.81 -1.89 0.15 114.58 126.73 2x42 h GLU 222 Ca -0.25 -0.32 0.11 0.00 -0.13 0.00 0.00 59.36 58.77 2x42 h GLU 222 Cb 1.09 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.33 2x42 h GLU 222 CO 0.86 0.97 0.45 2.35 -0.73 0.00 0.00 179.01 182.91 2x42 h TRP 223 N 0.74 0.80 0.11 0.92 7.01 -1.92 0.56 115.95 124.16 2x42 h TRP 223 Ca 0.12 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 2x42 h TRP 223 Cb 0.62 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 2x42 h TRP 223 CO 0.05 0.29 -0.05 1.25 -2.79 0.00 0.00 178.44 177.18 2x42 h LEU 224 N 0.72 -0.13 0.00 0.65 5.85 -1.80 -0.13 115.31 120.47 2x42 h LEU 224 Ca 0.41 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2x42 h LEU 224 Cb 0.44 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2x42 h LEU 224 CO -0.28 0.49 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.96 2x42 h LEU 225 N -0.92 0.00 0.00 2.25 3.38 -0.97 -2.31 115.31 116.74 2x42 h LEU 225 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2x42 h LEU 225 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2x42 h LEU 225 CO 0.03 0.02 -0.20 1.17 0.09 0.00 0.00 178.44 179.55 2x42 n LYS 226 N -2.62 0.10 0.10 1.13 4.81 0.13 -3.94 118.16 117.88 2x42 n LYS 226 Ca 0.04 0.04 -0.13 0.00 -0.87 0.00 0.00 58.31 57.38 2x42 n LYS 226 Cb 0.49 -0.62 -0.08 0.00 0.02 0.00 0.00 35.03 34.84 2x42 n LYS 226 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2x42 h LYS 227 N -0.20 -0.19 0.03 1.64 1.57 -1.22 0.56 116.57 118.76 2x42 h LYS 227 Ca 0.00 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2x42 h LYS 227 Cb 0.20 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2x42 h LYS 227 CO 0.00 -0.01 -0.01 0.28 -0.57 0.00 0.00 179.45 179.13 2x42 h VAL 228 N -0.34 0.00 -0.20 0.50 2.07 -1.13 0.16 116.25 117.31 2x42 h VAL 228 Ca -0.02 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.49 2x42 h VAL 228 Cb 0.27 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.98 2x42 h VAL 228 CO 0.03 0.00 -0.23 0.25 0.02 0.00 0.00 177.57 177.64 2x42 h LEU 229 N -0.11 -0.74 0.00 2.57 5.85 -1.55 -0.39 115.31 120.94 2x42 h LEU 229 Ca -0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2x42 h LEU 229 Cb 0.03 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2x42 h LEU 229 CO 0.01 -0.28 -0.08 0.03 -0.34 0.00 0.00 178.44 177.78 2x42 h ARG 230 N -0.26 0.00 -0.40 1.25 -0.00 -1.48 -1.77 114.38 111.73 2x42 h ARG 230 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.60 2x42 h ARG 230 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.40 2x42 h ARG 230 CO -0.35 0.00 0.25 0.93 0.00 0.00 0.00 179.97 180.80 2x42 h GLU 231 N -0.22 0.53 0.09 0.04 5.08 -0.83 0.23 114.58 119.50 2x42 h GLU 231 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2x42 h GLU 231 Cb 0.08 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2x42 h GLU 231 CO 0.00 0.37 -0.04 0.93 -1.00 0.00 0.00 179.01 179.27 2x42 h GLU 232 N 0.53 -0.11 0.00 2.33 5.08 -0.39 -3.39 114.58 118.63 2x42 h GLU 232 Ca 0.14 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2x42 h GLU 232 Cb -0.04 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2x42 h GLU 232 CO -0.03 0.01 -0.08 -1.49 -1.00 0.00 0.00 179.01 176.42 2x42 h TRP 233 N -1.02 0.00 -0.79 4.33 6.55 -1.10 -3.48 115.95 120.43 2x42 h TRP 233 Ca -0.01 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.71 2x42 h TRP 233 Cb 0.17 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.46 2x42 h TRP 233 CO 0.02 0.00 -0.15 0.41 -1.05 0.00 0.00 178.44 177.67 2x42 n GLY 234 N 1.14 0.19 3.67 1.49 0.00 0.81 -4.85 105.19 107.63 2x42 n GLY 234 Ca 0.04 -0.65 -0.46 0.00 0.00 0.00 0.00 46.02 44.95 2x42 n GLY 234 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2x42 n PHE 235 N -3.90 2.28 0.08 1.61 7.35 -0.68 -4.90 117.46 119.30 2x42 n PHE 235 Ca -0.07 0.26 0.07 0.00 -0.76 0.00 0.00 57.45 56.96 2x42 n PHE 235 Cb 0.52 -2.55 0.15 0.00 0.35 0.00 0.00 39.48 37.96 2x42 n PHE 235 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2x42 n GLU 236 N 3.46 2.18 0.00 -4.13 1.02 -1.26 -4.74 120.64 117.17 2x42 n GLU 236 Ca 0.17 -1.93 0.00 0.00 -0.02 0.00 0.00 57.16 55.38 2x42 n GLU 236 Cb 0.29 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2x42 n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x42 n GLY 237 N 0.86 1.93 3.38 0.62 0.00 -1.26 -4.87 105.19 105.86 2x42 n GLY 237 Ca 0.13 -1.93 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 2x42 n GLY 237 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2x42 s PHE 238 N 2.77 1.99 -0.14 1.61 -0.12 -0.89 -4.83 117.98 118.37 2x42 s PHE 238 Ca 0.00 -0.44 -0.04 0.00 -0.05 0.00 0.00 56.93 56.40 2x42 s PHE 238 Cb 0.00 -0.95 -0.03 0.00 -0.63 0.00 0.00 43.02 41.41 2x42 s PHE 238 CO 0.00 0.45 -0.00 0.08 -0.05 0.00 0.00 175.22 175.70 2x42 s VAL 239 N -2.25 4.25 0.22 -2.49 1.01 -1.26 -1.55 120.40 118.34 2x42 s VAL 239 Ca 0.21 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 62.05 2x42 s VAL 239 Cb -0.05 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2x42 s VAL 239 CO 0.09 0.52 -0.12 0.00 0.00 0.00 0.00 175.10 175.59 2x42 s MET 240 N -0.02 1.95 0.35 2.72 0.23 0.37 -1.15 119.30 123.75 2x42 s MET 240 Ca 0.03 -1.45 -0.15 0.00 -1.03 0.00 0.00 55.69 53.09 2x42 s MET 240 Cb -0.13 -2.03 -0.09 0.00 -1.53 0.00 0.00 34.83 31.05 2x42 s MET 240 CO 0.02 0.39 0.77 -1.54 -2.03 0.00 0.00 175.02 172.63 2x42 s SER 241 N -3.16 6.76 0.84 -1.18 1.04 -0.46 -0.80 113.70 116.74 2x42 s SER 241 Ca 0.27 1.32 -0.13 0.00 0.48 0.00 0.00 55.95 57.89 2x42 s SER 241 Cb -0.07 -2.39 0.08 0.00 0.10 0.00 0.00 66.02 63.74 2x42 s SER 241 CO 0.15 -0.26 1.04 0.00 0.98 0.00 0.00 173.24 175.16 2x42 n ALA 242 N -0.55 -0.63 -1.70 5.32 0.00 -0.79 -4.30 120.51 117.87 2x42 n ALA 242 Ca 0.04 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 2x42 n ALA 242 Cb 0.53 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 2x42 n ALA 242 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2x42 s TRP 243 N -2.25 1.33 -0.33 0.00 0.23 -1.26 -1.93 118.94 114.73 2x42 s TRP 243 Ca 0.69 -0.02 0.00 0.00 -2.03 0.00 0.00 56.10 54.75 2x42 s TRP 243 Cb -0.27 -4.11 0.00 0.00 0.03 0.00 0.00 33.47 29.12 2x42 s TRP 243 CO 0.55 -4.79 0.00 0.66 0.96 0.00 0.00 176.95 174.33 2x42 n TYR 244 N 9.00 0.00 -1.64 -1.98 4.02 -0.30 -4.86 117.16 121.40 2x42 n TYR 244 Ca 0.23 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.80 2x42 n TYR 244 Cb 0.43 -1.03 0.05 0.00 -0.02 0.00 0.00 39.34 38.77 2x42 n TYR 244 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2x42 s ALA 245 N -1.94 2.53 0.01 -0.72 0.00 -0.81 -4.90 121.76 115.93 2x42 s ALA 245 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2x42 s ALA 245 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2x42 s ALA 245 CO 0.00 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 174.88 2x42 n GLY 246 N -1.17 -2.10 0.00 0.00 0.00 -1.26 -4.84 105.19 95.81 2x42 n GLY 246 Ca 0.09 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2x42 n GLY 246 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x42 n ASP 247 N -0.22 0.00 -3.33 1.61 5.68 -1.26 -5.06 116.55 113.97 2x42 n ASP 247 Ca 0.00 -1.00 -0.09 0.00 -0.50 0.00 0.00 54.79 53.20 2x42 n ASP 247 Cb 0.03 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.94 2x42 n ASP 247 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2x42 s ASN 248 N 0.00 0.39 0.42 -1.12 3.84 -1.26 -5.02 114.94 112.18 2x42 s ASN 248 Ca 0.00 -0.11 0.11 0.00 0.21 0.00 0.00 52.86 53.07 2x42 s ASN 248 Cb 0.00 1.08 0.89 0.00 -0.55 0.00 0.00 41.25 42.67 2x42 s ASN 248 CO 0.00 -0.33 1.97 -0.65 -2.79 0.00 0.00 177.10 175.30 2x42 h PRO 249 N 8.18 0.20 -0.25 0.43 0.11 -1.96 -1.31 132.00 137.40 2x42 h PRO 249 Ca -0.14 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.82 2x42 h PRO 249 Cb 1.13 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2x42 h PRO 249 CO 0.27 0.29 -0.30 0.28 -0.21 0.00 0.00 178.00 178.34 2x42 h VAL 250 N 0.19 1.31 -0.55 3.15 2.07 -1.94 -2.46 116.25 118.02 2x42 h VAL 250 Ca 0.04 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 2x42 h VAL 250 Cb 0.27 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2x42 h VAL 250 CO 0.01 0.47 0.19 -0.33 0.02 0.00 0.00 177.57 177.92 2x42 h GLU 251 N 0.36 0.82 0.12 1.57 4.39 -1.82 -1.95 114.58 118.06 2x42 h GLU 251 Ca 0.03 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2x42 h GLU 251 Cb 0.87 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2x42 h GLU 251 CO 0.07 0.70 -0.06 1.96 -1.16 0.00 0.00 179.01 180.53 2x42 h GLN 252 N 0.80 -0.15 -0.55 2.33 4.20 -1.08 -0.94 115.11 119.72 2x42 h GLN 252 Ca 0.19 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2x42 h GLN 252 Cb 0.22 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2x42 h GLN 252 CO -0.01 -0.10 0.29 -0.07 -0.67 0.00 0.00 178.83 178.27 2x42 h LEU 253 N -0.16 0.69 -1.67 1.46 3.38 -1.27 -0.62 115.31 117.13 2x42 h LEU 253 Ca -0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2x42 h LEU 253 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2x42 h LEU 253 CO 0.02 0.59 0.04 0.11 0.09 0.00 0.00 178.44 179.30 2x42 h LYS 254 N 0.73 0.25 0.00 1.13 1.57 -1.24 -2.31 116.57 116.71 2x42 h LYS 254 Ca 0.19 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2x42 h LYS 254 Cb 0.06 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2x42 h LYS 254 CO -0.03 0.24 -0.16 0.00 -0.57 0.00 0.00 179.45 178.93 2x42 h ALA 255 N 1.80 0.95 0.00 3.86 0.00 -0.47 -3.47 119.26 121.93 2x42 h ALA 255 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2x42 h ALA 255 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2x42 h ALA 255 CO -0.00 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2x42 n GLY 256 N 0.55 1.23 3.50 0.00 0.00 -0.87 -3.76 105.19 105.83 2x42 n GLY 256 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2x42 n GLY 256 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x42 s ASN 257 N -1.99 6.40 0.24 1.61 3.84 -0.30 -4.46 114.94 120.28 2x42 s ASN 257 Ca 0.00 -1.37 -0.01 0.00 0.21 0.00 0.00 52.86 51.69 2x42 s ASN 257 Cb 0.00 -2.48 0.28 0.00 -0.55 0.00 0.00 41.25 38.51 2x42 s ASN 257 CO 0.00 -1.40 1.67 0.44 -2.79 0.00 0.00 177.10 175.02 2x42 h ASP 258 N 9.47 0.65 -3.33 -4.21 3.32 -1.52 -3.31 116.42 117.49 2x42 h ASP 258 Ca -0.01 -0.23 -0.60 0.00 0.02 0.00 0.00 57.03 56.21 2x42 h ASP 258 Cb 1.04 -0.18 -0.37 0.00 0.22 0.00 0.00 39.33 40.04 2x42 h ASP 258 CO 1.24 0.87 -0.81 -0.22 -1.72 0.00 0.00 179.24 178.60 2x42 s LEU 259 N -8.79 2.00 -0.41 1.55 2.96 -0.30 -4.63 118.68 111.05 2x42 s LEU 259 Ca -0.08 -0.74 -0.21 0.00 -0.22 0.00 0.00 54.13 52.88 2x42 s LEU 259 Cb 0.13 -1.16 0.02 0.00 0.50 0.00 0.00 46.19 45.68 2x42 s LEU 259 CO 0.82 -0.13 0.67 -0.63 -1.32 0.00 0.00 176.35 175.76 2x42 s ILE 260 N 1.46 4.81 0.16 6.68 1.01 0.16 -1.35 121.20 134.14 2x42 s ILE 260 Ca 0.01 0.33 0.10 0.00 0.00 0.00 0.00 60.65 61.09 2x42 s ILE 260 Cb -0.15 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 2x42 s ILE 260 CO -0.09 -0.53 -0.19 -0.04 0.00 0.00 0.00 174.94 174.10 2x42 s MET 261 N 2.87 1.71 0.00 2.79 -1.94 -1.26 -0.71 119.30 122.76 2x42 s MET 261 Ca 0.25 -1.35 0.28 0.00 -1.71 0.00 0.00 55.69 53.16 2x42 s MET 261 Cb -0.14 -2.00 1.15 0.00 2.01 0.00 0.00 34.83 35.85 2x42 s MET 261 CO 0.18 0.43 1.81 -0.35 -0.01 0.00 0.00 175.02 177.08 2x42 n PRO 262 N 0.41 0.88 0.00 2.03 -0.04 -1.26 -1.15 135.00 135.87 2x42 n PRO 262 Ca -0.13 -0.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 2x42 n PRO 262 Cb 0.55 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2x42 n PRO 262 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x42 n GLY 263 N 1.26 2.18 3.15 0.55 0.00 -1.24 -0.41 105.19 110.68 2x42 n GLY 263 Ca 0.15 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.20 2x42 n GLY 263 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x42 n LYS 264 N 1.97 -5.23 0.29 1.61 5.02 -1.26 -3.82 118.16 116.74 2x42 n LYS 264 Ca 0.00 0.76 0.18 0.00 -2.02 0.00 0.00 58.31 57.23 2x42 n LYS 264 Cb 0.00 -5.49 0.99 0.00 -0.02 0.00 0.00 35.03 30.51 2x42 n LYS 264 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x42 h ALA 265 N 0.65 1.42 0.00 7.82 0.00 -1.93 -1.61 119.26 125.61 2x42 h ALA 265 Ca -0.53 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2x42 h ALA 265 Cb 1.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2x42 h ALA 265 CO 0.44 -0.09 -0.02 0.10 0.00 0.00 0.00 179.25 179.68 2x42 h TYR 266 N 0.00 0.00 0.00 0.00 -0.00 -1.73 -0.18 116.97 115.05 2x42 h TYR 266 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 2x42 h TYR 266 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.88 2x42 h TYR 266 CO 0.00 0.02 0.00 1.96 -0.00 0.00 0.00 178.16 180.14 2x42 h GLN 267 N 0.00 0.00 0.00 0.10 4.20 -1.65 -3.21 115.11 114.55 2x42 h GLN 267 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2x42 h GLN 267 Cb 0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2x42 h GLN 267 CO 0.00 0.00 -1.02 0.28 -0.67 0.00 0.00 178.83 177.42 2x42 n VAL 268 N -2.76 0.01 -3.51 -0.54 0.31 -0.71 -4.93 118.33 106.20 2x42 n VAL 268 Ca 0.01 -0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 64.03 2x42 n VAL 268 Cb 0.25 0.08 -0.14 0.00 -0.91 0.00 0.00 33.84 33.12 2x42 n VAL 268 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2x42 s ASN 269 N -2.33 3.28 0.56 4.52 3.84 -0.16 -5.01 114.94 119.64 2x42 s ASN 269 Ca -0.00 -1.70 0.17 0.00 0.21 0.00 0.00 52.86 51.54 2x42 s ASN 269 Cb 0.00 -0.37 0.90 0.00 -0.55 0.00 0.00 41.25 41.23 2x42 s ASN 269 CO 0.02 -0.38 1.46 0.00 -2.79 0.00 0.00 177.10 175.41 2x42 h THR 270 N 5.78 0.00 -0.01 -5.21 1.03 -1.82 0.15 112.91 112.83 2x42 h THR 270 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.32 2x42 h THR 270 Cb 0.99 0.37 0.00 0.00 -1.07 0.00 0.00 68.15 68.44 2x42 h THR 270 CO 0.36 0.00 -0.31 -0.62 -0.01 0.00 0.00 175.52 174.94 2x42 n GLU 271 N -2.51 0.88 -3.16 0.00 1.02 -1.26 -4.85 120.64 110.76 2x42 n GLU 271 Ca -0.01 -0.56 -0.37 0.00 -0.02 0.00 0.00 57.16 56.19 2x42 n GLU 271 Cb 0.54 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.41 2x42 n GLU 271 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2x42 s ARG 272 N -2.51 4.26 0.60 3.49 1.81 0.52 -5.08 118.95 122.03 2x42 s ARG 272 Ca 0.23 0.83 -0.08 0.00 -1.72 0.00 0.00 55.73 54.99 2x42 s ARG 272 Cb 0.19 -3.06 -0.01 0.00 -0.45 0.00 0.00 34.95 31.62 2x42 s ARG 272 CO 0.54 0.51 0.95 1.03 -0.68 0.00 0.00 175.30 177.64 2x42 s ARG 273 N -1.58 3.21 0.19 3.54 0.52 -1.26 -4.23 118.95 119.33 2x42 s ARG 273 Ca 0.37 0.32 -0.32 0.00 -0.52 0.00 0.00 55.73 55.58 2x42 s ARG 273 Cb -0.18 -2.20 -0.12 0.00 0.52 0.00 0.00 34.95 32.98 2x42 s ARG 273 CO 0.21 -0.63 1.75 0.34 0.02 0.00 0.00 175.30 177.00 2x42 s ASP 274 N -4.24 6.39 0.24 0.23 2.15 -1.26 -4.47 116.67 115.71 2x42 s ASP 274 Ca 0.54 2.84 0.01 0.00 0.43 0.00 0.00 52.55 56.36 2x42 s ASP 274 Cb -0.11 -2.59 0.29 0.00 -0.30 0.00 0.00 42.92 40.21 2x42 s ASP 274 CO 0.49 -0.98 1.63 1.05 -0.17 0.00 0.00 175.17 177.19 2x42 h GLU 275 N 7.30 0.50 -0.54 4.34 9.09 -1.98 -1.65 114.58 131.64 2x42 h GLU 275 Ca -0.44 -0.24 0.02 0.00 0.05 0.00 0.00 59.36 58.75 2x42 h GLU 275 Cb 1.21 -0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.27 2x42 h GLU 275 CO 0.96 0.80 0.34 0.82 0.05 0.00 0.00 179.01 181.97 2x42 h ILE 276 N 0.42 1.09 -0.54 -1.06 2.04 -1.92 0.14 117.51 117.68 2x42 h ILE 276 Ca 0.04 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 2x42 h ILE 276 Cb 0.84 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2x42 h ILE 276 CO 0.07 0.12 0.16 -0.33 0.00 0.00 0.00 178.15 178.17 2x42 h GLU 277 N 0.67 0.85 -0.47 2.37 5.08 -1.90 -0.01 114.58 121.17 2x42 h GLU 277 Ca 0.21 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2x42 h GLU 277 Cb -0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2x42 h GLU 277 CO -0.08 0.78 0.13 1.49 -1.00 0.00 0.00 179.01 180.33 2x42 h GLU 278 N 0.76 0.75 -0.15 2.33 4.81 -0.93 -1.29 114.58 120.85 2x42 h GLU 278 Ca 0.17 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2x42 h GLU 278 Cb 0.30 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2x42 h GLU 278 CO -0.00 0.73 0.03 0.82 -0.73 0.00 0.00 179.01 179.86 2x42 h ILE 279 N 0.63 1.20 -0.48 2.32 2.04 -0.64 -1.53 117.51 121.06 2x42 h ILE 279 Ca 0.15 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.44 2x42 h ILE 279 Cb 0.31 1.35 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 2x42 h ILE 279 CO -0.00 0.19 0.09 0.24 0.00 0.00 0.00 178.15 178.68 2x42 h MET 280 N 0.05 0.22 -0.61 2.37 2.86 -0.89 -0.27 114.93 118.66 2x42 h MET 280 Ca 0.05 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2x42 h MET 280 Cb 0.27 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 2x42 h MET 280 CO 0.00 0.15 0.40 1.49 1.06 0.00 0.00 176.91 180.01 2x42 h GLU 281 N 0.23 0.80 -0.73 1.72 4.81 -1.15 -1.33 114.58 118.93 2x42 h GLU 281 Ca 0.24 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2x42 h GLU 281 Cb 0.31 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 2x42 h GLU 281 CO -0.31 0.54 0.30 0.00 -0.73 0.00 0.00 179.01 178.80 2x42 h ALA 282 N 1.22 1.15 -0.50 2.92 0.00 -0.47 -0.23 119.26 123.35 2x42 h ALA 282 Ca 0.22 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2x42 h ALA 282 Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2x42 h ALA 282 CO -0.05 0.62 0.13 -0.07 0.00 0.00 0.00 179.25 179.88 2x42 h LEU 283 N 1.05 0.74 -1.12 0.00 3.38 -0.76 0.16 115.31 118.77 2x42 h LEU 283 Ca 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2x42 h LEU 283 Cb 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2x42 h LEU 283 CO -0.02 0.77 0.37 0.50 0.09 0.00 0.00 178.44 180.15 2x42 h LYS 284 N 0.68 0.98 -0.00 1.13 3.64 -0.62 -2.92 116.57 119.46 2x42 h LYS 284 Ca 0.16 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2x42 h LYS 284 Cb 0.31 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2x42 h LYS 284 CO -0.00 0.73 -0.44 0.39 -2.27 0.00 0.00 179.45 177.86 2x42 n GLU 285 N -4.35 0.34 -0.85 1.90 1.02 -0.16 -4.93 120.64 113.61 2x42 n GLU 285 Ca 0.07 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2x42 n GLU 285 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2x42 n GLU 285 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x42 n GLY 286 N 1.44 0.53 0.23 0.62 0.00 -0.43 -4.92 105.19 102.66 2x42 n GLY 286 Ca 0.08 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.82 2x42 n GLY 286 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x42 h LYS 287 N 0.84 0.00 -3.86 1.61 1.57 -1.01 -3.43 116.57 112.29 2x42 h LYS 287 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 2x42 h LYS 287 Cb 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 31.98 2x42 h LYS 287 CO 0.00 0.20 -0.75 -1.17 -0.57 0.00 0.00 179.45 177.15 2x42 s LEU 288 N -6.68 1.35 0.34 2.94 2.96 -0.98 -4.97 118.68 113.63 2x42 s LEU 288 Ca 0.01 -0.06 -0.14 0.00 -0.22 0.00 0.00 54.13 53.73 2x42 s LEU 288 Cb 0.10 -0.27 -0.08 0.00 0.50 0.00 0.00 46.19 46.44 2x42 s LEU 288 CO 0.63 -0.06 0.73 -0.94 -1.32 0.00 0.00 176.35 175.39 2x42 s SER 289 N 0.80 6.71 0.41 3.68 1.04 -1.26 -4.25 113.70 120.83 2x42 s SER 289 Ca -0.09 1.23 0.15 0.00 0.48 0.00 0.00 55.95 57.73 2x42 s SER 289 Cb -0.12 -2.35 0.90 0.00 0.10 0.00 0.00 66.02 64.55 2x42 s SER 289 CO -0.01 -0.24 1.90 -0.08 0.98 0.00 0.00 173.24 175.79 2x42 h GLU 290 N 2.04 0.00 -0.52 4.02 4.81 -1.99 -2.71 114.58 120.23 2x42 h GLU 290 Ca -0.48 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2x42 h GLU 290 Cb 1.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2x42 h GLU 290 CO 0.65 0.28 0.27 1.05 -0.73 0.00 0.00 179.01 180.54 2x42 h GLU 291 N 0.00 0.73 -0.63 1.92 9.09 -1.99 0.20 114.58 123.90 2x42 h GLU 291 Ca -0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 59.36 59.31 2x42 h GLU 291 Cb 0.52 -0.14 -0.03 0.00 -1.65 0.00 0.00 28.75 27.45 2x42 h GLU 291 CO 0.04 0.58 0.38 0.28 0.05 0.00 0.00 179.01 180.33 2x42 h VAL 292 N 0.69 1.19 -0.64 -1.06 2.07 -1.91 -1.72 116.25 114.87 2x42 h VAL 292 Ca 0.18 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.28 2x42 h VAL 292 Cb 0.07 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 2x42 h VAL 292 CO -0.03 0.20 0.42 0.25 0.02 0.00 0.00 177.57 178.43 2x42 h LEU 293 N 0.86 0.72 -0.79 2.57 5.85 -1.10 -2.25 115.31 121.16 2x42 h LEU 293 Ca 0.23 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2x42 h LEU 293 Cb -0.01 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 2x42 h LEU 293 CO -0.04 0.52 0.48 0.44 -0.34 0.00 0.00 178.44 179.49 2x42 h ASP 294 N 0.85 0.95 -0.53 1.25 3.32 -0.33 -1.78 116.42 120.15 2x42 h ASP 294 Ca 0.24 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2x42 h ASP 294 Cb -0.08 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 2x42 h ASP 294 CO -0.06 0.73 0.30 -0.08 -1.72 0.00 0.00 179.24 178.41 2x42 h GLU 295 N 1.08 0.74 -0.62 3.56 4.81 -0.90 0.64 114.58 123.89 2x42 h GLU 295 Ca 0.28 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2x42 h GLU 295 Cb -0.04 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 2x42 h GLU 295 CO -0.05 0.56 0.29 0.00 -0.73 0.00 0.00 179.01 179.07 2x42 h VAL 297 N 0.86 1.26 -0.49 0.00 2.07 -1.04 -2.39 116.25 116.52 2x42 h VAL 297 Ca 0.21 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 2x42 h VAL 297 Cb 0.14 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2x42 h VAL 297 CO -0.02 0.36 0.10 -0.09 0.02 0.00 0.00 177.57 177.94 2x42 h ARG 298 N 0.95 0.79 -0.93 1.57 2.43 -0.59 -0.10 114.38 118.50 2x42 h ARG 298 Ca 0.20 -0.20 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 2x42 h ARG 298 Cb 0.39 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.77 2x42 h ARG 298 CO 0.01 0.78 0.59 -0.91 -1.51 0.00 0.00 179.97 178.93 2x42 h ASN 299 N 0.67 0.81 0.02 -3.80 -0.26 -0.92 0.60 115.58 112.71 2x42 h ASN 299 Ca 0.15 0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.92 2x42 h ASN 299 Cb 0.35 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 2x42 h ASN 299 CO 0.00 0.45 -0.01 0.40 -1.06 0.00 0.00 177.43 177.21 2x42 h ILE 300 N 0.88 1.43 -0.53 2.81 2.04 -1.00 -3.31 117.51 119.83 2x42 h ILE 300 Ca 0.45 -1.52 -0.12 0.00 1.00 0.00 0.00 64.86 64.67 2x42 h ILE 300 Cb 0.50 2.43 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 2x42 h ILE 300 CO -0.21 0.38 -0.13 -0.07 0.00 0.00 0.00 178.15 178.12 2x42 h LEU 301 N -0.71 1.03 -2.31 1.44 3.38 -0.78 -0.86 115.31 116.50 2x42 h LEU 301 Ca -0.00 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.64 2x42 h LEU 301 Cb 0.65 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2x42 h LEU 301 CO 0.01 1.15 0.07 0.07 0.09 0.00 0.00 178.44 179.82 2x42 h LYS 302 N 0.90 0.00 0.00 1.13 2.10 -1.02 0.23 116.57 119.91 2x42 h LYS 302 Ca 0.13 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.69 2x42 h LYS 302 Cb 0.70 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.02 2x42 h LYS 302 CO 0.05 0.00 -0.67 0.28 -2.00 0.00 0.00 179.45 177.11 2x42 h VAL 303 N 0.00 0.66 0.00 0.07 2.07 -1.58 -3.42 116.25 114.06 2x42 h VAL 303 Ca 0.03 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2x42 h VAL 303 Cb 0.17 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2x42 h VAL 303 CO -0.00 0.23 0.00 0.18 0.02 0.00 0.00 177.57 177.99 2x42 n LEU 304 N -4.56 0.77 0.17 2.57 4.77 -0.35 -1.90 117.00 118.48 2x42 n LEU 304 Ca -0.17 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.52 2x42 n LEU 304 Cb 0.44 -0.37 0.63 0.00 -2.33 0.00 0.00 43.42 41.78 2x42 n LEU 304 CO 0.16 -0.25 0.86 -0.37 -1.33 0.00 0.00 177.39 176.46 2x42 h VAL 305 N 0.00 0.00 -0.00 4.08 -1.51 -1.20 0.15 116.25 117.76 2x42 h VAL 305 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 2x42 h VAL 305 Cb 0.66 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 2x42 h VAL 305 CO 0.00 0.00 -0.43 0.59 -1.23 0.00 0.00 177.57 176.50 2x42 n ASN 306 N -2.32 0.87 -4.78 4.19 3.02 -0.80 -4.79 115.26 110.65 2x42 n ASN 306 Ca -0.01 -0.67 -0.34 0.00 -0.03 0.00 0.00 54.58 53.53 2x42 n ASN 306 Cb 0.05 0.27 0.01 0.00 -0.61 0.00 0.00 39.78 39.49 2x42 n ASN 306 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x42 s ALA 307 N -2.74 2.69 0.25 5.41 0.00 0.52 -4.90 121.76 123.00 2x42 s ALA 307 Ca 0.17 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 2x42 s ALA 307 Cb 0.18 -3.30 0.44 0.00 0.00 0.00 0.00 23.12 20.44 2x42 s ALA 307 CO 0.62 -0.79 1.81 -1.35 0.00 0.00 0.00 175.76 176.06 2x42 h PRO 308 N 0.88 0.79 -0.34 0.00 0.11 -1.88 -1.95 132.00 129.61 2x42 h PRO 308 Ca -0.49 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.66 2x42 h PRO 308 Cb 1.24 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2x42 h PRO 308 CO 0.57 0.52 0.24 0.77 -0.21 0.00 0.00 178.00 179.89 2x42 h SER 309 N 0.81 0.07 0.60 -2.05 0.02 -1.91 -0.45 113.55 110.64 2x42 h SER 309 Ca 0.42 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.33 2x42 h SER 309 Cb 0.41 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2x42 h SER 309 CO -0.26 0.04 -0.22 0.15 -1.14 0.00 0.00 176.83 175.40 2x42 h PHE 310 N 0.07 0.00 -0.41 3.45 3.04 -1.58 -2.36 116.94 119.15 2x42 h PHE 310 Ca 0.16 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 2x42 h PHE 310 Cb 0.55 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 2x42 h PHE 310 CO -0.00 0.22 0.01 1.63 -2.02 0.00 0.00 178.31 178.15 2x42 n LYS 311 N -3.61 3.75 -2.91 1.11 5.02 -0.22 -4.94 118.16 116.36 2x42 n LYS 311 Ca -0.01 -3.00 -0.21 0.00 -2.02 0.00 0.00 58.31 53.08 2x42 n LYS 311 Cb 0.36 -2.04 0.01 0.00 -0.02 0.00 0.00 35.03 33.34 2x42 n LYS 311 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2x42 n ASN 312 N -0.05 -5.14 -4.67 4.39 3.02 -0.89 -4.83 115.26 107.08 2x42 n ASN 312 Ca 0.25 -0.19 -0.48 0.00 -0.03 0.00 0.00 54.58 54.13 2x42 n ASN 312 Cb 1.04 -4.22 -0.05 0.00 -0.61 0.00 0.00 39.78 35.94 2x42 n ASN 312 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x42 n TYR 313 N -4.11 2.23 -2.59 3.10 4.19 -0.96 -4.87 117.16 114.15 2x42 n TYR 313 Ca -0.12 0.20 -0.41 0.00 3.31 0.00 0.00 57.90 60.88 2x42 n TYR 313 Cb 0.61 -2.57 -0.03 0.00 0.49 0.00 0.00 39.34 37.84 2x42 n TYR 313 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 2x42 s ARG 314 N 2.23 3.58 0.59 2.98 3.52 -1.26 -4.90 118.95 125.70 2x42 s ARG 314 Ca 0.85 -1.15 -0.17 0.00 -0.13 0.00 0.00 55.73 55.13 2x42 s ARG 314 Cb -0.72 -5.31 -0.03 0.00 -1.56 0.00 0.00 34.95 27.33 2x42 s ARG 314 CO 0.45 -2.18 1.11 1.52 -0.81 0.00 0.00 175.30 175.40 2x42 s TYR 315 N 4.82 2.69 -0.25 5.12 -0.85 -1.26 -4.97 117.35 122.64 2x42 s TYR 315 Ca 0.45 1.55 0.22 0.00 -0.52 0.00 0.00 57.07 58.77 2x42 s TYR 315 Cb -0.01 -3.21 0.03 0.00 0.38 0.00 0.00 41.96 39.16 2x42 s TYR 315 CO -0.10 -1.55 1.10 0.66 -1.52 0.00 0.00 175.55 174.15 2x42 h SER 316 N 0.67 0.00 -0.82 -0.18 4.64 -1.86 -3.48 113.55 112.52 2x42 h SER 316 Ca -0.48 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.52 2x42 h SER 316 Cb 1.25 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.21 2x42 h SER 316 CO 0.56 0.02 -0.29 0.59 -0.87 0.00 0.00 176.83 176.84 2x42 n ASN 317 N -2.73 -5.34 -3.19 4.97 5.03 0.24 -4.91 115.26 109.33 2x42 n ASN 317 Ca 0.00 0.39 -0.23 0.00 0.87 0.00 0.00 54.58 55.61 2x42 n ASN 317 Cb 0.56 -4.37 -0.07 0.00 -1.02 0.00 0.00 39.78 34.88 2x42 n ASN 317 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2x42 n LYS 318 N -1.61 0.64 -0.89 3.52 5.02 -1.26 -4.95 118.16 118.63 2x42 n LYS 318 Ca -0.16 -3.11 -0.30 0.00 -2.02 0.00 0.00 58.31 52.72 2x42 n LYS 318 Cb 0.61 -1.29 0.16 0.00 -0.02 0.00 0.00 35.03 34.49 2x42 n LYS 318 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2x42 s PRO 319 N -0.88 1.10 -1.07 1.97 0.04 -1.26 -4.91 135.00 129.99 2x42 s PRO 319 Ca 0.35 1.25 -0.21 0.00 0.04 0.00 0.00 61.00 62.43 2x42 s PRO 319 Cb 0.15 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 33.01 2x42 s PRO 319 CO -0.13 -2.48 1.46 0.34 0.04 0.00 0.00 177.00 176.23 2x42 s ASP 320 N -2.94 6.60 0.26 6.66 3.68 -1.26 -4.82 116.67 124.86 2x42 s ASP 320 Ca 0.65 -1.78 0.02 0.00 2.13 0.00 0.00 52.55 53.57 2x42 s ASP 320 Cb -0.21 -2.54 0.35 0.00 -1.45 0.00 0.00 42.92 39.07 2x42 s ASP 320 CO 0.58 -1.36 1.67 -0.07 0.13 0.00 0.00 175.17 176.13 2x42 h LEU 321 N 12.30 0.49 -0.38 -1.34 3.38 -1.97 -2.15 115.31 125.64 2x42 h LEU 321 Ca 0.24 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2x42 h LEU 321 Cb 0.98 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2x42 h LEU 321 CO 1.38 0.79 -0.00 -0.33 0.09 0.00 0.00 178.44 180.37 2x42 h GLU 322 N 0.41 0.67 -0.53 1.13 3.07 -2.00 -0.54 114.58 116.79 2x42 h GLU 322 Ca 0.05 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.69 2x42 h GLU 322 Cb 0.77 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.60 2x42 h GLU 322 CO 0.06 0.77 0.32 -0.22 -1.40 0.00 0.00 179.01 178.54 2x42 h LYS 323 N 0.49 0.73 0.00 2.33 3.64 -1.95 -2.83 116.57 118.98 2x42 h LYS 323 Ca 0.11 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 2x42 h LYS 323 Cb 0.47 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2x42 h LYS 323 CO 0.02 0.54 -0.32 0.45 -2.27 0.00 0.00 179.45 177.86 2x42 h HIS 324 N 0.72 0.00 -0.38 1.91 3.86 -1.15 -2.52 115.15 117.59 2x42 h HIS 324 Ca 0.19 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.31 2x42 h HIS 324 Cb 0.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 2x42 h HIS 324 CO -0.02 0.32 -0.15 0.00 0.86 0.00 0.00 177.93 178.94 2x42 h ALA 325 N 1.68 1.03 -0.59 2.45 0.00 -0.86 -0.75 119.26 122.21 2x42 h ALA 325 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2x42 h ALA 325 Cb 0.64 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2x42 h ALA 325 CO 0.04 0.58 0.31 0.87 0.00 0.00 0.00 179.25 181.06 2x42 h LYS 326 N 0.62 0.84 -0.80 0.00 1.57 -1.28 -0.21 116.57 117.31 2x42 h LYS 326 Ca 0.10 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2x42 h LYS 326 Cb 0.61 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 2x42 h LYS 326 CO 0.04 0.65 0.45 0.28 -0.57 0.00 0.00 179.45 180.31 2x42 h VAL 327 N 0.81 1.23 -0.66 0.50 2.07 -1.30 -0.11 116.25 118.78 2x42 h VAL 327 Ca 0.21 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2x42 h VAL 327 Cb 0.07 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 2x42 h VAL 327 CO -0.03 0.25 0.23 0.00 0.02 0.00 0.00 177.57 178.04 2x42 h ALA 328 N 1.24 1.17 -0.34 1.67 0.00 -0.68 -0.83 119.26 121.48 2x42 h ALA 328 Ca 0.28 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2x42 h ALA 328 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2x42 h ALA 328 CO -0.05 0.59 -0.04 -0.92 0.00 0.00 0.00 179.25 178.83 2x42 h TYR 329 N 0.96 0.70 -0.54 0.00 3.20 -0.53 -2.12 116.97 118.65 2x42 h TYR 329 Ca 0.22 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2x42 h TYR 329 Cb 0.23 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 2x42 h TYR 329 CO 0.02 0.77 0.30 0.93 -1.64 0.00 0.00 178.16 178.53 2x42 h GLU 330 N 0.42 0.75 -0.65 1.82 4.39 -0.77 0.78 114.58 121.32 2x42 h GLU 330 Ca 0.09 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2x42 h GLU 330 Cb 0.52 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 2x42 h GLU 330 CO 0.03 0.58 0.39 0.00 -1.16 0.00 0.00 179.01 178.84 2x42 h ALA 331 N 1.13 0.83 -0.63 3.43 0.00 -1.10 -2.27 119.26 120.66 2x42 h ALA 331 Ca 0.19 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2x42 h ALA 331 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2x42 h ALA 331 CO -0.03 0.31 0.05 0.78 0.00 0.00 0.00 179.25 180.36 2x42 h GLY 332 N 0.89 1.16 1.12 0.00 0.00 -1.10 -2.72 103.07 102.41 2x42 h GLY 332 Ca 0.23 -0.82 0.04 0.00 0.00 0.00 0.00 47.33 46.79 2x42 h GLY 332 CO -0.04 0.75 0.51 0.00 0.00 0.00 0.00 176.54 177.75 2x42 h ALA 333 N 1.01 1.55 -0.01 3.60 0.00 -0.33 -1.93 119.26 123.16 2x42 h ALA 333 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2x42 h ALA 333 Cb 0.50 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2x42 h ALA 333 CO 0.02 0.36 -0.18 0.39 0.00 0.00 0.00 179.25 179.84 2x42 n GLU 334 N -4.45 1.16 -0.00 0.00 1.02 -0.90 -4.12 120.64 113.34 2x42 n GLU 334 Ca 0.10 -0.72 0.08 0.00 -0.02 0.00 0.00 57.16 56.60 2x42 n GLU 334 Cb 0.13 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 29.95 2x42 n GLU 334 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x42 n GLY 335 N 1.30 -0.63 3.73 0.62 0.00 -0.76 -2.98 105.19 106.46 2x42 n GLY 335 Ca 0.14 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2x42 n GLY 335 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2x42 n VAL 336 N -1.84 1.19 -3.94 1.61 0.31 -1.02 -4.67 118.33 109.98 2x42 n VAL 336 Ca -0.01 -0.30 -0.35 0.00 -0.01 0.00 0.00 64.34 63.67 2x42 n VAL 336 Cb 0.36 -1.81 -0.14 0.00 -0.91 0.00 0.00 33.84 31.34 2x42 n VAL 336 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2x42 s VAL 337 N -0.22 3.16 -0.42 2.52 1.01 -0.06 -2.33 120.40 124.05 2x42 s VAL 337 Ca 0.63 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 2x42 s VAL 337 Cb -0.54 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.43 2x42 s VAL 337 CO 0.52 0.42 1.11 -0.22 0.00 0.00 0.00 175.10 176.92 2x42 s LEU 338 N 1.44 3.75 -0.05 3.92 2.96 -1.26 -0.30 118.68 129.14 2x42 s LEU 338 Ca 0.05 0.69 0.16 0.00 -0.22 0.00 0.00 54.13 54.81 2x42 s LEU 338 Cb -0.14 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.79 2x42 s LEU 338 CO -0.05 -1.11 0.53 0.18 -1.32 0.00 0.00 176.35 174.59 2x42 n LEU 339 N 7.47 0.54 -3.68 -0.68 4.77 -0.39 -0.48 117.00 124.56 2x42 n LEU 339 Ca 0.12 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.24 2x42 n LEU 339 Cb 0.48 0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.70 2x42 n LEU 339 CO 0.67 0.30 0.23 -0.60 -1.33 0.00 0.00 177.39 176.66 2x42 s ARG 340 N -2.76 0.60 -0.44 3.23 3.52 -1.10 -4.88 118.95 117.13 2x42 s ARG 340 Ca -0.06 0.89 0.06 0.00 -0.13 0.00 0.00 55.73 56.49 2x42 s ARG 340 Cb 0.08 0.19 0.18 0.00 -1.56 0.00 0.00 34.95 33.84 2x42 s ARG 340 CO 0.83 -0.12 0.55 1.21 -0.81 0.00 0.00 175.30 176.96 2x42 s ASN 341 N 0.90 -0.30 -1.20 -2.12 2.47 -1.22 -0.73 114.94 112.74 2x42 s ASN 341 Ca -0.05 -1.73 -0.13 0.00 0.42 0.00 0.00 52.86 51.37 2x42 s ASN 341 Cb -0.05 1.16 0.19 0.00 -1.45 0.00 0.00 41.25 41.10 2x42 s ASN 341 CO -0.08 -0.15 1.38 -1.61 -3.72 0.00 0.00 177.10 172.93 2x42 s GLU 342 N 1.07 4.12 -1.53 0.43 0.41 0.14 -4.60 118.70 118.75 2x42 s GLU 342 Ca 0.24 -2.71 -0.06 0.00 -0.41 0.00 0.00 54.97 52.03 2x42 s GLU 342 Cb -0.04 -4.98 0.05 0.00 -1.78 0.00 0.00 34.13 27.38 2x42 s GLU 342 CO -0.07 -1.68 0.49 0.39 -0.49 0.00 0.00 175.26 173.90 2x42 n GLU 343 N 5.13 -2.95 -0.01 1.61 1.02 -1.26 -4.84 120.64 119.34 2x42 n GLU 343 Ca 0.35 0.35 -0.01 0.00 -0.02 0.00 0.00 57.16 57.83 2x42 n GLU 343 Cb 0.42 -4.60 -0.02 0.00 -0.02 0.00 0.00 31.44 27.22 2x42 n GLU 343 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2x42 n ALA 344 N -4.42 1.97 -2.68 0.62 0.00 -1.26 -5.03 120.51 109.72 2x42 n ALA 344 Ca -0.18 -0.13 -0.19 0.00 0.00 0.00 0.00 53.44 52.94 2x42 n ALA 344 Cb 0.62 0.15 -0.13 0.00 0.00 0.00 0.00 19.45 20.10 2x42 n ALA 344 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2x42 s LEU 345 N -3.97 2.21 0.75 0.00 1.43 -1.26 -4.22 118.68 113.61 2x42 s LEU 345 Ca -0.01 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 2x42 s LEU 345 Cb 0.01 -0.55 0.04 0.00 0.03 0.00 0.00 46.19 45.72 2x42 s LEU 345 CO 0.09 -0.01 1.13 -2.16 0.23 0.00 0.00 176.35 175.63 2x42 s PRO 346 N -1.33 2.48 0.31 1.29 0.05 -1.26 -5.00 135.00 131.55 2x42 s PRO 346 Ca -0.00 0.31 -0.29 0.00 0.05 0.00 0.00 61.00 61.07 2x42 s PRO 346 Cb -0.08 -1.99 -0.10 0.00 0.05 0.00 0.00 34.50 32.37 2x42 s PRO 346 CO 0.01 -1.27 1.26 -0.51 0.05 0.00 0.00 177.00 176.55 2x42 s LEU 347 N -5.45 4.45 0.87 -3.56 1.43 0.12 -4.97 118.68 111.57 2x42 s LEU 347 Ca 0.60 2.58 -0.12 0.00 -1.03 0.00 0.00 54.13 56.15 2x42 s LEU 347 Cb -0.11 -3.64 0.10 0.00 0.03 0.00 0.00 46.19 42.57 2x42 s LEU 347 CO 0.51 -0.45 1.08 -1.20 0.23 0.00 0.00 176.35 176.52 2x42 n SER 348 N 1.02 0.35 -4.77 2.29 7.64 -1.26 -4.71 113.62 114.18 2x42 n SER 348 Ca 0.00 0.49 -0.40 0.00 1.01 0.00 0.00 58.87 59.97 2x42 n SER 348 Cb 0.42 -1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 62.14 2x42 n SER 348 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2x42 s GLU 349 N -4.23 4.34 0.00 1.43 2.12 -1.26 -2.83 118.70 118.27 2x42 s GLU 349 Ca 0.69 2.06 0.00 0.00 0.36 0.00 0.00 54.97 58.08 2x42 s GLU 349 Cb -0.26 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.12 2x42 s GLU 349 CO 0.56 -0.14 0.00 0.09 -0.54 0.00 0.00 175.26 175.22 2x42 n ASN 350 N 0.71 -3.80 -4.69 -1.70 3.02 -1.26 -4.95 115.26 102.59 2x42 n ASN 350 Ca 0.01 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.12 2x42 n ASN 350 Cb 0.43 -2.04 -0.04 0.00 -0.61 0.00 0.00 39.78 37.53 2x42 n ASN 350 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2x42 n SER 351 N -0.46 3.61 -4.64 6.41 2.88 -1.13 -4.80 113.62 115.49 2x42 n SER 351 Ca 0.00 1.05 -0.43 0.00 -1.33 0.00 0.00 58.87 58.17 2x42 n SER 351 Cb 0.23 -1.50 -0.02 0.00 -0.75 0.00 0.00 64.21 62.17 2x42 n SER 351 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2x42 s LYS 352 N 1.44 4.07 -0.22 -1.46 1.02 -1.25 -4.16 119.74 119.17 2x42 s LYS 352 Ca 0.78 1.19 -0.12 0.00 0.02 0.00 0.00 55.97 57.84 2x42 s LYS 352 Cb -0.58 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 32.92 2x42 s LYS 352 CO 0.36 -0.90 0.22 0.42 -0.92 0.00 0.00 175.35 174.53 2x42 s ILE 353 N 3.74 5.32 -0.44 2.17 1.01 0.25 -0.88 121.20 132.38 2x42 s ILE 353 Ca 0.48 0.33 -0.20 0.00 0.00 0.00 0.00 60.65 61.27 2x42 s ILE 353 Cb -0.14 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.79 2x42 s ILE 353 CO 0.16 0.33 0.59 0.00 0.00 0.00 0.00 174.94 176.03 2x42 s ALA 354 N 1.01 3.37 -0.25 9.38 0.00 -0.36 0.02 121.76 134.93 2x42 s ALA 354 Ca 0.11 -1.30 -0.17 0.00 0.00 0.00 0.00 51.96 50.60 2x42 s ALA 354 Cb -0.13 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2x42 s ALA 354 CO 0.05 -1.75 0.45 -1.17 0.00 0.00 0.00 175.76 173.34 2x42 s LEU 355 N 2.65 4.07 0.27 0.00 2.96 -1.26 -1.62 118.68 125.75 2x42 s LEU 355 Ca 0.20 0.46 0.10 0.00 -0.22 0.00 0.00 54.13 54.66 2x42 s LEU 355 Cb -0.15 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2x42 s LEU 355 CO 0.18 -0.21 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.61 2x42 s PHE 356 N 2.01 2.65 0.00 5.38 0.40 0.11 -4.84 117.98 123.69 2x42 s PHE 356 Ca 0.19 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 2x42 s PHE 356 Cb -0.15 -1.17 0.00 0.00 0.51 0.00 0.00 43.02 42.20 2x42 s PHE 356 CO 0.09 0.63 0.00 0.41 0.70 0.00 0.00 175.22 177.05 2x42 n GLY 357 N -0.87 -0.81 0.24 4.36 0.00 -1.26 -0.82 105.19 106.03 2x42 n GLY 357 Ca -0.06 -1.27 0.16 0.00 0.00 0.00 0.00 46.02 44.85 2x42 n GLY 357 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2x42 h THR 358 N 0.00 0.00 0.00 2.61 1.35 -1.94 -2.57 112.91 112.35 2x42 h THR 358 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2x42 h THR 358 Cb 0.00 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 2x42 h THR 358 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2x42 n GLY 359 N -0.17 -0.94 0.22 5.82 0.00 -1.26 -0.98 105.19 107.88 2x42 n GLY 359 Ca 0.00 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.27 2x42 n GLY 359 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2x42 h GLN 360 N 0.00 0.00 0.00 1.61 3.07 -1.72 -2.54 115.11 115.53 2x42 h GLN 360 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.50 2x42 h GLN 360 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.60 2x42 h GLN 360 CO 0.00 0.25 -1.85 -0.89 0.09 0.00 0.00 178.83 176.44 2x42 n ILE 361 N -3.77 0.84 -2.02 1.86 5.41 -0.60 -0.96 119.36 120.11 2x42 n ILE 361 Ca -0.01 -0.26 -0.39 0.00 1.00 0.00 0.00 62.75 63.08 2x42 n ILE 361 Cb 0.35 -1.38 -0.01 0.00 -0.71 0.00 0.00 39.64 37.90 2x42 n ILE 361 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2x42 n GLU 362 N -3.33 4.54 -2.26 0.38 1.02 -0.15 -4.84 120.64 115.99 2x42 n GLU 362 Ca -0.28 -3.51 -0.41 0.00 -0.02 0.00 0.00 57.16 52.93 2x42 n GLU 362 Cb 0.74 -2.58 -0.03 0.00 -0.02 0.00 0.00 31.44 29.55 2x42 n GLU 362 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2x42 s THR 363 N -1.57 3.32 -0.36 2.62 2.01 -0.96 -4.54 115.64 116.17 2x42 s THR 363 Ca 0.53 1.09 -0.21 0.00 0.31 0.00 0.00 61.69 63.41 2x42 s THR 363 Cb 0.20 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 69.02 2x42 s THR 363 CO -0.11 0.17 0.68 -0.63 -0.69 0.00 0.00 174.62 174.04 2x42 s ILE 364 N 0.07 4.85 -0.51 1.82 -1.09 -1.26 -4.92 121.20 120.16 2x42 s ILE 364 Ca 0.56 0.69 0.24 0.00 -2.23 0.00 0.00 60.65 59.90 2x42 s ILE 364 Cb -0.35 -4.11 0.11 0.00 -1.58 0.00 0.00 42.46 36.53 2x42 s ILE 364 CO 0.38 -0.34 1.35 0.07 -1.23 0.00 0.00 174.94 175.16 2x42 h LYS 365 N 8.45 0.00 0.00 2.79 2.10 -1.91 -3.38 116.57 124.62 2x42 h LYS 365 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2x42 h LYS 365 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2x42 h LYS 365 CO 0.86 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.72 2x42 n GLY 366 N 1.25 0.11 3.95 0.07 0.00 -1.26 -1.29 105.19 108.02 2x42 n GLY 366 Ca 0.03 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 2x42 n GLY 366 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x42 s GLY 367 N 0.00 1.74 0.42 -0.02 0.00 -1.26 -4.88 107.32 103.31 2x42 s GLY 367 Ca 0.00 -1.24 0.06 0.00 0.00 0.00 0.00 44.72 43.54 2x42 s GLY 367 CO 0.00 -0.63 0.58 -0.51 0.00 0.00 0.00 173.10 172.54 2x42 s THR 368 N -3.52 3.31 0.00 0.90 -4.23 -0.56 -4.26 115.64 107.27 2x42 s THR 368 Ca 0.68 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 2x42 s THR 368 Cb -0.06 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.64 2x42 s THR 368 CO 0.48 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 2x42 n GLY 369 N -1.88 -0.24 0.28 3.99 0.00 -1.26 -2.01 105.19 104.08 2x42 n GLY 369 Ca 0.05 -2.07 0.15 0.00 0.00 0.00 0.00 46.02 44.16 2x42 n GLY 369 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2x42 h SER 370 N 0.00 0.00 -0.38 1.61 4.64 -1.95 -2.17 113.55 115.31 2x42 h SER 370 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x42 h SER 370 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2x42 h SER 370 CO 0.00 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 2x42 n GLY 371 N -0.74 1.93 3.90 -0.77 0.00 -1.26 -4.59 105.19 103.67 2x42 n GLY 371 Ca -0.02 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 2x42 n GLY 371 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x42 s ASP 372 N -0.65 3.96 0.12 1.61 2.15 -0.82 -4.17 116.67 118.87 2x42 s ASP 372 Ca 0.31 0.62 -0.07 0.00 0.43 0.00 0.00 52.55 53.85 2x42 s ASP 372 Cb 0.22 -0.97 -0.01 0.00 -0.30 0.00 0.00 42.92 41.85 2x42 s ASP 372 CO 0.13 -2.23 0.18 0.42 -0.17 0.00 0.00 175.17 173.50 2x42 s THR 373 N -3.66 0.12 -0.60 1.71 -4.23 -1.26 -4.63 115.64 103.08 2x42 s THR 373 Ca 0.66 -1.44 0.06 0.00 -1.18 0.00 0.00 61.69 59.79 2x42 s THR 373 Cb -0.09 -1.65 0.21 0.00 1.34 0.00 0.00 72.50 72.31 2x42 s THR 373 CO 0.51 -0.53 0.58 1.41 -0.54 0.00 0.00 174.62 176.05 2x42 n HIS 374 N -0.10 2.37 -1.60 3.99 -0.00 -1.26 -5.07 115.22 113.55 2x42 n HIS 374 Ca -0.11 -4.02 -0.31 0.00 -0.00 0.00 0.00 57.72 53.29 2x42 n HIS 374 Cb 0.63 -0.45 0.05 0.00 -0.00 0.00 0.00 29.99 30.22 2x42 n HIS 374 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2x42 s PRO 375 N -1.64 2.91 0.33 -0.41 0.04 -1.26 -3.99 135.00 130.97 2x42 s PRO 375 Ca 0.33 0.90 0.02 0.00 0.04 0.00 0.00 61.00 62.29 2x42 s PRO 375 Cb 0.08 -1.99 0.57 0.00 0.04 0.00 0.00 34.50 33.19 2x42 s PRO 375 CO -0.10 -1.10 1.91 -0.09 0.04 0.00 0.00 177.00 177.66 2x42 h ARG 376 N -0.72 0.72 -4.23 4.56 2.43 -1.94 -3.45 114.38 111.75 2x42 h ARG 376 Ca -0.44 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 58.48 2x42 h ARG 376 Cb 1.21 -0.13 -0.15 0.00 -0.42 0.00 0.00 29.97 30.49 2x42 h ARG 376 CO 0.58 0.60 -0.60 1.52 -1.51 0.00 0.00 179.97 180.56 2x42 s TYR 377 N -5.32 0.60 -0.19 2.20 1.13 -1.26 -5.13 117.35 109.38 2x42 s TYR 377 Ca -0.09 -1.05 -0.04 0.00 -1.41 0.00 0.00 57.07 54.47 2x42 s TYR 377 Cb 0.16 -0.36 0.08 0.00 -1.10 0.00 0.00 41.96 40.74 2x42 s TYR 377 CO 0.77 -0.48 0.16 0.00 -2.51 0.00 0.00 175.55 173.50 2x42 s ALA 378 N -3.97 0.02 -0.46 9.51 0.00 -1.26 -4.64 121.76 120.96 2x42 s ALA 378 Ca 0.14 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 2x42 s ALA 378 Cb 0.07 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 22.03 2x42 s ALA 378 CO -0.05 -1.17 1.24 0.42 0.00 0.00 0.00 175.76 176.20 2x42 s ILE 379 N 2.25 4.09 1.05 0.00 -1.09 -0.28 -5.01 121.20 122.22 2x42 s ILE 379 Ca 0.05 1.11 -0.12 0.00 -2.23 0.00 0.00 60.65 59.46 2x42 s ILE 379 Cb -0.16 -4.47 0.22 0.00 -1.58 0.00 0.00 42.46 36.47 2x42 s ILE 379 CO -0.11 -0.94 1.07 -0.94 -1.23 0.00 0.00 174.94 172.80 2x42 s SER 380 N 2.99 1.99 0.17 3.58 1.04 -1.26 -0.34 113.70 121.88 2x42 s SER 380 Ca 0.53 1.55 -0.14 0.00 0.48 0.00 0.00 55.95 58.37 2x42 s SER 380 Cb -0.09 -2.24 0.07 0.00 0.10 0.00 0.00 66.02 63.86 2x42 s SER 380 CO 0.32 -3.58 1.82 0.40 0.98 0.00 0.00 173.24 173.19 2x42 h ILE 381 N -2.20 1.15 -0.28 -1.02 2.04 -1.78 -1.51 117.51 113.92 2x42 h ILE 381 Ca -0.55 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2x42 h ILE 381 Cb 1.31 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2x42 h ILE 381 CO 0.51 0.15 0.15 0.25 0.00 0.00 0.00 178.15 179.22 2x42 h LEU 382 N 0.74 0.35 -0.66 1.44 5.85 -1.40 -2.27 115.31 119.36 2x42 h LEU 382 Ca 0.20 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2x42 h LEU 382 Cb -0.05 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2x42 h LEU 382 CO -0.04 0.35 0.42 -0.33 -0.34 0.00 0.00 178.44 178.49 2x42 h GLU 383 N 0.33 0.80 -0.76 1.25 5.08 -1.77 -0.61 114.58 118.91 2x42 h GLU 383 Ca 0.10 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2x42 h GLU 383 Cb 0.07 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 2x42 h GLU 383 CO -0.02 0.53 0.43 0.78 -1.00 0.00 0.00 179.01 179.73 2x42 h GLY 384 N 0.82 1.12 1.06 -3.84 0.00 -1.11 0.13 103.07 101.25 2x42 h GLY 384 Ca 0.26 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 2x42 h GLY 384 CO -0.10 0.48 0.12 -2.22 0.00 0.00 0.00 176.54 174.82 2x42 h ILE 385 N 1.04 1.26 -0.07 2.60 2.04 -0.92 -1.29 117.51 122.18 2x42 h ILE 385 Ca 0.27 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 2x42 h ILE 385 Cb 0.02 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2x42 h ILE 385 CO -0.05 0.38 0.04 0.11 0.00 0.00 0.00 178.15 178.63 2x42 h LYS 386 N 1.00 0.11 -0.64 2.37 1.57 -0.71 -1.62 116.57 118.64 2x42 h LYS 386 Ca 0.20 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.05 2x42 h LYS 386 Cb 0.42 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 2x42 h LYS 386 CO 0.01 0.18 0.30 1.49 -0.57 0.00 0.00 179.45 180.86 2x42 h GLU 387 N 0.01 0.52 0.00 3.15 4.81 -0.55 0.23 114.58 122.75 2x42 h GLU 387 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2x42 h GLU 387 Cb 0.11 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2x42 h GLU 387 CO -0.00 0.34 0.00 0.54 -0.73 0.00 0.00 179.01 179.16 2x42 n ARG 388 N -4.90 0.77 -2.09 1.92 5.12 -0.50 -4.89 116.66 112.10 2x42 n ARG 388 Ca 0.09 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.89 2x42 n ARG 388 Cb 0.24 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.03 2x42 n ARG 388 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2x42 n GLY 389 N 1.00 0.11 3.77 -0.13 0.00 0.07 -4.99 105.19 105.01 2x42 n GLY 389 Ca 0.20 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2x42 n GLY 389 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x42 s LEU 390 N -3.53 3.64 -0.69 0.99 1.43 -0.65 -4.95 118.68 114.93 2x42 s LEU 390 Ca 0.00 2.17 -0.24 0.00 -1.03 0.00 0.00 54.13 55.03 2x42 s LEU 390 Cb 0.00 -4.58 0.06 0.00 0.03 0.00 0.00 46.19 41.70 2x42 s LEU 390 CO 0.00 -1.40 1.08 0.20 0.23 0.00 0.00 176.35 176.46 2x42 s ASN 391 N -1.95 6.17 0.27 2.29 0.01 -1.26 -4.79 114.94 115.68 2x42 s ASN 391 Ca 0.72 -0.78 0.12 0.00 -0.71 0.00 0.00 52.86 52.20 2x42 s ASN 391 Cb -0.24 -2.47 -0.05 0.00 0.41 0.00 0.00 41.25 38.90 2x42 s ASN 391 CO 0.32 -1.59 -0.17 0.72 -1.51 0.00 0.00 177.10 174.87 2x42 s PHE 392 N 4.68 2.35 -0.46 2.20 -0.12 -1.26 0.86 117.98 126.22 2x42 s PHE 392 Ca 0.27 -0.31 -0.27 0.00 -0.05 0.00 0.00 56.93 56.56 2x42 s PHE 392 Cb -0.14 -1.03 -0.02 0.00 -0.63 0.00 0.00 43.02 41.20 2x42 s PHE 392 CO 0.12 0.69 1.84 0.34 -0.05 0.00 0.00 175.22 178.16 2x42 s ASP 393 N -3.48 5.57 0.29 1.98 3.68 0.10 -4.80 116.67 120.01 2x42 s ASP 393 Ca 0.30 0.87 0.08 0.00 2.13 0.00 0.00 52.55 55.93 2x42 s ASP 393 Cb -0.05 -2.53 0.42 0.00 -1.45 0.00 0.00 42.92 39.31 2x42 s ASP 393 CO 0.15 -2.04 1.66 -0.33 0.13 0.00 0.00 175.17 174.75 2x42 h GLU 394 N 14.01 0.12 -0.41 4.34 3.07 -1.97 -2.11 114.58 131.63 2x42 h GLU 394 Ca -0.30 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.41 2x42 h GLU 394 Cb 1.17 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 2x42 h GLU 394 CO 1.12 0.61 -0.05 0.93 -1.40 0.00 0.00 179.01 180.21 2x42 h GLU 395 N 0.10 0.76 -0.41 2.33 3.07 -2.00 -2.69 114.58 115.74 2x42 h GLU 395 Ca 0.00 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.36 58.56 2x42 h GLU 395 Cb 0.94 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.78 2x42 h GLU 395 CO 0.07 0.87 0.12 1.25 -1.40 0.00 0.00 179.01 179.92 2x42 h LEU 396 N 0.58 0.60 -0.88 1.33 5.85 -1.89 -1.61 115.31 119.29 2x42 h LEU 396 Ca 0.11 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2x42 h LEU 396 Cb 0.56 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2x42 h LEU 396 CO 0.03 0.65 0.52 0.00 -0.34 0.00 0.00 178.44 179.31 2x42 h ALA 397 N 0.97 1.12 -0.40 1.25 0.00 -1.36 -0.54 119.26 120.30 2x42 h ALA 397 Ca 0.13 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2x42 h ALA 397 Cb 0.27 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2x42 h ALA 397 CO -0.00 0.58 -0.12 0.87 0.00 0.00 0.00 179.25 180.58 2x42 h LYS 398 N 1.21 0.72 -0.28 0.00 1.57 -1.35 -1.23 116.57 117.20 2x42 h LYS 398 Ca 0.31 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2x42 h LYS 398 Cb -0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2x42 h LYS 398 CO -0.06 0.82 0.18 1.15 -0.57 0.00 0.00 179.45 180.97 2x42 h THR 399 N 0.66 1.08 -0.29 -0.16 2.02 -0.27 -0.43 112.91 115.52 2x42 h THR 399 Ca 0.11 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 2x42 h THR 399 Cb 0.58 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2x42 h THR 399 CO 0.04 0.08 0.13 1.88 0.37 0.00 0.00 175.52 178.02 2x42 h TYR 400 N 0.37 0.42 -0.28 3.16 -1.99 -0.97 -0.13 116.97 117.55 2x42 h TYR 400 Ca 0.10 -0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.85 2x42 h TYR 400 Cb -0.02 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 38.53 2x42 h TYR 400 CO -0.05 0.39 0.02 0.93 -0.00 0.00 0.00 178.16 179.45 2x42 h GLU 401 N 0.32 0.10 -0.89 4.88 5.08 -1.06 -0.19 114.58 122.82 2x42 h GLU 401 Ca 0.10 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2x42 h GLU 401 Cb 0.14 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2x42 h GLU 401 CO -0.01 0.07 0.59 -0.44 -1.00 0.00 0.00 179.01 178.22 2x42 h ASP 402 N 0.11 1.01 -0.24 1.42 3.32 -0.92 -2.13 116.42 118.99 2x42 h ASP 402 Ca 0.14 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 2x42 h ASP 402 Cb 0.17 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2x42 h ASP 402 CO -0.21 0.72 -0.29 0.22 -1.72 0.00 0.00 179.24 177.96 2x42 h TYR 403 N 1.19 0.86 -0.10 4.55 3.20 -0.20 -1.84 116.97 124.63 2x42 h TYR 403 Ca 0.33 -0.22 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 2x42 h TYR 403 Cb -0.11 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 37.96 2x42 h TYR 403 CO -0.01 0.95 -0.09 0.82 -1.64 0.00 0.00 178.16 178.18 2x42 h ILE 404 N 0.63 1.35 -0.17 1.81 2.04 -0.91 -1.19 117.51 121.08 2x42 h ILE 404 Ca 0.08 -1.23 0.05 0.00 1.00 0.00 0.00 64.86 64.75 2x42 h ILE 404 Cb 0.81 1.94 -0.07 0.00 -0.74 0.00 0.00 36.82 38.76 2x42 h ILE 404 CO 0.07 0.35 -0.41 0.11 0.00 0.00 0.00 178.15 178.27 2x42 h LYS 405 N -0.15 -0.44 -0.32 2.37 1.57 -1.33 0.26 116.57 118.53 2x42 h LYS 405 Ca 0.02 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 2x42 h LYS 405 Cb 0.60 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.95 2x42 h LYS 405 CO 0.02 -0.29 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.27 2x42 h LYS 406 N -0.46 -0.06 -0.56 3.15 3.64 -1.34 -1.84 116.57 119.10 2x42 h LYS 406 Ca 0.09 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 2x42 h LYS 406 Cb 0.61 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2x42 h LYS 406 CO -0.42 -0.04 0.02 0.52 -2.27 0.00 0.00 179.45 177.26 2x42 h MET 407 N -0.06 0.98 0.00 1.90 2.86 -0.62 -2.69 114.93 117.30 2x42 h MET 407 Ca 0.16 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2x42 h MET 407 Cb 0.31 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2x42 h MET 407 CO -0.36 0.97 0.00 0.00 1.06 0.00 0.00 176.91 178.58 2x42 h ARG 408 N 0.86 0.00 0.00 1.72 2.47 -0.24 -1.82 114.38 117.36 2x42 h ARG 408 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 2x42 h ARG 408 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 2x42 h ARG 408 CO 0.03 0.00 -0.50 1.49 0.56 0.00 0.00 179.97 181.54 2x42 h GLU 409 N 0.00 0.00 -7.14 0.04 4.22 -1.01 -3.31 114.58 107.38 2x42 h GLU 409 Ca 0.00 0.00 -0.47 0.00 0.08 0.00 0.00 59.36 58.97 2x42 h GLU 409 Cb 0.50 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.77 2x42 h GLU 409 CO 0.00 0.00 0.37 -0.08 -2.18 0.00 0.00 179.01 177.12 2x42 s THR 410 N -3.19 4.13 0.17 0.32 -1.32 -0.68 -4.87 115.64 110.21 2x42 s THR 410 Ca 0.06 1.14 -0.14 0.00 -1.21 0.00 0.00 61.69 61.55 2x42 s THR 410 Cb 0.12 -3.54 0.06 0.00 -1.51 0.00 0.00 72.50 67.63 2x42 s THR 410 CO 0.70 -0.47 1.79 -0.33 -2.21 0.00 0.00 174.62 174.11 2x42 h GLU 411 N 1.11 0.49 0.00 7.08 4.39 -1.90 -0.59 114.58 125.16 2x42 h GLU 411 Ca -0.48 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.14 2x42 h GLU 411 Cb 1.20 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2x42 h GLU 411 CO 0.60 0.33 -0.25 1.49 -1.16 0.00 0.00 179.01 180.01 2x42 h GLU 412 N 0.51 0.00 -0.00 2.33 4.81 -1.93 -3.28 114.58 117.01 2x42 h GLU 412 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2x42 h GLU 412 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2x42 h GLU 412 CO -0.13 0.25 0.00 0.66 -0.73 0.00 0.00 179.01 179.07 2x42 n TYR 413 N -3.67 0.00 -2.12 0.92 4.01 -1.08 -4.80 117.16 110.42 2x42 n TYR 413 Ca -0.01 -0.03 -0.37 0.00 -0.16 0.00 0.00 57.90 57.34 2x42 n TYR 413 Cb 0.37 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.41 2x42 n TYR 413 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2x42 s LYS 414 N -0.09 3.41 0.07 -0.72 -2.85 -0.25 -4.30 119.74 115.01 2x42 s LYS 414 Ca 0.01 1.84 -0.30 0.00 -1.00 0.00 0.00 55.97 56.51 2x42 s LYS 414 Cb 0.00 -2.21 -0.09 0.00 -2.06 0.00 0.00 37.83 33.47 2x42 s LYS 414 CO 0.01 -0.85 1.89 -2.14 0.10 0.00 0.00 175.35 174.35 2x42 s PRO 415 N -2.97 4.14 0.17 1.78 0.02 -1.26 -4.58 135.00 132.31 2x42 s PRO 415 Ca 0.69 2.58 0.03 0.00 0.02 0.00 0.00 61.00 64.32 2x42 s PRO 415 Cb -0.30 -3.91 0.03 0.00 0.02 0.00 0.00 34.50 30.33 2x42 s PRO 415 CO 0.35 -0.90 0.21 0.54 -0.33 0.00 0.00 177.00 176.87 2x42 n ARG 416 N 6.73 0.98 -3.84 5.54 1.74 -0.06 -4.94 116.66 122.81 2x42 n ARG 416 Ca 0.19 -0.97 -0.16 0.00 -0.77 0.00 0.00 57.85 56.14 2x42 n ARG 416 Cb 0.40 -0.02 -0.16 0.00 -1.02 0.00 0.00 32.46 31.65 2x42 n ARG 416 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2x42 s ARG 417 N -2.76 0.11 -0.96 5.56 6.06 -1.26 -2.30 118.95 123.39 2x42 s ARG 417 Ca 0.16 0.14 -0.08 0.00 -2.50 0.00 0.00 55.73 53.45 2x42 s ARG 417 Cb -0.01 -0.35 0.24 0.00 0.06 0.00 0.00 34.95 34.89 2x42 s ARG 417 CO 0.10 -0.15 0.91 -1.50 -2.50 0.00 0.00 175.30 172.15 2x42 s ILE 423 N 1.05 5.32 0.02 4.11 2.07 -1.26 -5.21 121.20 127.31 2x42 s ILE 423 Ca -0.09 -3.33 0.01 0.00 -1.41 0.00 0.00 60.65 55.83 2x42 s ILE 423 Cb -0.13 -4.25 -0.04 0.00 0.13 0.00 0.00 42.46 38.17 2x42 s ILE 423 CO -0.02 -1.11 0.07 0.27 -1.91 0.00 0.00 174.94 172.24 2x42 s ILE 424 N -0.93 4.58 -0.28 2.00 -5.25 -0.97 -5.10 121.20 115.26 2x42 s ILE 424 Ca 0.26 -0.55 -0.04 0.00 -0.99 0.00 0.00 60.65 59.33 2x42 s ILE 424 Cb -0.10 -3.12 0.02 0.00 2.95 0.00 0.00 42.46 42.20 2x42 s ILE 424 CO -0.09 0.28 0.02 -0.54 -1.79 0.00 0.00 174.94 172.82 2x42 s LYS 425 N -1.91 2.93 0.46 0.37 1.02 -1.26 -0.88 119.74 120.46 2x42 s LYS 425 Ca 0.24 -0.94 -0.23 0.00 0.02 0.00 0.00 55.97 55.06 2x42 s LYS 425 Cb -0.12 -3.20 -0.09 0.00 -0.52 0.00 0.00 37.83 33.90 2x42 s LYS 425 CO 0.16 -0.44 1.05 -2.30 -0.92 0.00 0.00 175.35 172.89 2x42 n PRO 426 N 4.77 1.36 -2.22 -1.68 -0.02 -1.26 -4.87 135.00 131.07 2x42 n PRO 426 Ca -0.15 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 2x42 n PRO 426 Cb 0.47 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 2x42 n PRO 426 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2x42 s LYS 427 N -2.21 4.30 0.40 -0.52 2.20 -1.26 -4.96 119.74 117.69 2x42 s LYS 427 Ca 0.65 1.98 -0.23 0.00 -0.36 0.00 0.00 55.97 58.02 2x42 s LYS 427 Cb -0.52 -3.49 -0.11 0.00 -1.51 0.00 0.00 37.83 32.21 2x42 s LYS 427 CO 0.55 -0.52 0.95 -0.51 -0.36 0.00 0.00 175.35 175.46 2x42 s LEU 428 N 2.02 4.06 0.21 5.43 1.43 -1.26 -5.02 118.68 125.55 2x42 s LEU 428 Ca 0.64 1.74 -0.31 0.00 -1.03 0.00 0.00 54.13 55.17 2x42 s LEU 428 Cb -0.33 -4.38 -0.10 0.00 0.03 0.00 0.00 46.19 41.42 2x42 s LEU 428 CO 0.28 -0.28 1.48 -2.84 0.23 0.00 0.00 176.35 175.22 2x42 s PRO 429 N -2.83 4.25 0.00 1.29 0.02 -1.26 -4.94 135.00 131.53 2x42 s PRO 429 Ca 0.58 2.30 0.19 0.00 0.02 0.00 0.00 61.00 64.10 2x42 s PRO 429 Cb -0.12 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 2x42 s PRO 429 CO 0.16 -0.49 0.92 0.39 -0.33 0.00 0.00 177.00 177.66 2x42 n GLU 430 N 3.05 1.45 -2.06 5.54 -0.58 -1.26 -4.60 120.64 122.18 2x42 n GLU 430 Ca 0.10 -0.78 -0.37 0.00 -0.42 0.00 0.00 57.16 55.69 2x42 n GLU 430 Cb 0.40 -1.36 0.03 0.00 -0.57 0.00 0.00 31.44 29.94 2x42 n GLU 430 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2x42 n ASN 431 N -0.25 6.81 0.02 1.62 6.94 -1.26 -4.65 115.26 124.49 2x42 n ASN 431 Ca 0.07 -3.81 0.12 0.00 -0.02 0.00 0.00 54.58 50.94 2x42 n ASN 431 Cb 0.38 -0.91 0.15 0.00 -2.36 0.00 0.00 39.78 37.04 2x42 n ASN 431 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 2x42 n PHE 432 N -0.53 0.20 -2.79 -2.53 1.16 -1.26 -4.87 117.46 106.84 2x42 n PHE 432 Ca 0.50 0.06 -0.40 0.00 -1.87 0.00 0.00 57.45 55.74 2x42 n PHE 432 Cb 0.34 -0.38 -0.06 0.00 -1.61 0.00 0.00 39.48 37.78 2x42 n PHE 432 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2x42 s LEU 433 N -3.53 4.60 0.60 5.98 1.02 -1.26 -5.05 118.68 121.05 2x42 s LEU 433 Ca 0.08 1.85 -0.16 0.00 0.02 0.00 0.00 54.13 55.91 2x42 s LEU 433 Cb 0.16 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.80 2x42 s LEU 433 CO 0.74 0.12 1.09 -0.55 0.02 0.00 0.00 176.35 177.77 2x42 s SER 434 N -0.89 5.53 0.52 2.29 0.15 -1.26 -4.89 113.70 115.15 2x42 s SER 434 Ca 0.41 1.96 0.19 0.00 0.70 0.00 0.00 55.95 59.22 2x42 s SER 434 Cb -0.25 -2.55 1.36 0.00 -1.71 0.00 0.00 66.02 62.87 2x42 s SER 434 CO 0.30 -1.34 2.15 -0.08 1.20 0.00 0.00 173.24 175.47 2x42 h GLU 435 N 0.47 0.00 0.12 5.44 4.81 -1.98 -1.53 114.58 121.91 2x42 h GLU 435 Ca -0.48 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.47 2x42 h GLU 435 Cb 1.24 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 2x42 h GLU 435 CO 0.56 0.03 -1.40 0.87 -0.73 0.00 0.00 179.01 178.34 2x42 h LYS 436 N 0.00 0.25 -0.91 1.92 1.57 -1.99 -3.00 116.57 114.41 2x42 h LYS 436 Ca -0.00 -0.42 0.03 0.00 -1.87 0.00 0.00 60.65 58.39 2x42 h LYS 436 Cb 0.06 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 2x42 h LYS 436 CO 0.00 1.14 0.60 0.93 -0.57 0.00 0.00 179.45 181.55 2x42 h GLU 437 N 0.07 1.12 0.00 3.15 5.08 -1.69 -1.01 114.58 121.30 2x42 h GLU 437 Ca -0.19 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 57.94 2x42 h GLU 437 Cb 1.99 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.97 2x42 h GLU 437 CO 0.18 0.74 -0.76 0.82 -1.00 0.00 0.00 179.01 178.99 2x42 h ILE 438 N 1.16 1.54 -0.66 3.13 2.04 -1.40 -2.20 117.51 121.12 2x42 h ILE 438 Ca 0.35 -2.63 -0.04 0.00 1.00 0.00 0.00 64.86 63.55 2x42 h ILE 438 Cb -0.02 2.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 2x42 h ILE 438 CO -0.10 0.75 0.26 -0.74 0.00 0.00 0.00 178.15 178.32 2x42 h HIS 439 N 0.00 1.01 -0.79 1.37 2.76 -1.24 -1.01 115.15 117.26 2x42 h HIS 439 Ca -0.01 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.06 2x42 h HIS 439 Cb 1.36 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 29.98 2x42 h HIS 439 CO 0.00 0.79 0.39 0.87 -1.30 0.00 0.00 177.93 178.68 2x42 h LYS 440 N 0.94 1.12 -0.77 5.26 1.79 -1.06 -2.60 116.57 121.25 2x42 h LYS 440 Ca 0.22 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.50 2x42 h LYS 440 Cb 0.21 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 2x42 h LYS 440 CO -0.02 0.86 0.33 -0.07 -1.08 0.00 0.00 179.45 179.47 2x42 h LEU 441 N 1.12 1.05 -1.02 2.94 4.07 -0.91 -2.14 115.31 120.42 2x42 h LEU 441 Ca 0.27 -0.16 -0.08 0.00 0.08 0.00 0.00 57.88 57.99 2x42 h LEU 441 Cb 0.10 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 2x42 h LEU 441 CO -0.04 0.92 -0.14 0.00 -1.08 0.00 0.00 178.44 178.10 2x42 h ALA 442 N 1.17 1.18 -0.03 1.53 0.00 -0.83 -1.59 119.26 120.69 2x42 h ALA 442 Ca 0.26 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2x42 h ALA 442 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2x42 h ALA 442 CO -0.02 0.52 -0.78 0.87 0.00 0.00 0.00 179.25 179.84 2x42 h LYS 443 N 0.49 0.28 0.09 0.00 1.57 -1.29 -3.34 116.57 114.37 2x42 h LYS 443 Ca 0.09 -0.25 -0.25 0.00 -1.87 0.00 0.00 60.65 58.36 2x42 h LYS 443 Cb 0.54 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2x42 h LYS 443 CO 0.03 0.92 -1.17 -0.22 -0.57 0.00 0.00 179.45 178.45 2x42 h LYS 444 N 0.18 0.19 -6.11 3.15 3.64 -1.07 -3.47 116.57 113.07 2x42 h LYS 444 Ca -0.03 -0.33 -0.52 0.00 -1.27 0.00 0.00 60.65 58.50 2x42 h LYS 444 Cb 1.36 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.25 2x42 h LYS 444 CO 0.12 1.16 -0.45 -0.80 -2.27 0.00 0.00 179.45 177.21 2x42 s ASN 445 N -7.02 4.90 -0.14 4.20 0.01 -0.62 -5.01 114.94 111.25 2x42 s ASN 445 Ca -0.03 -0.76 0.03 0.00 -0.71 0.00 0.00 52.86 51.40 2x42 s ASN 445 Cb 0.08 -0.68 -0.23 0.00 0.41 0.00 0.00 41.25 40.83 2x42 s ASN 445 CO 0.87 -0.48 0.29 0.47 -1.51 0.00 0.00 177.10 176.73 2x42 n ASP 446 N -1.36 1.48 -3.96 -1.22 8.00 -0.06 -4.86 116.55 114.58 2x42 n ASP 446 Ca -0.00 0.17 -0.09 0.00 0.71 0.00 0.00 54.79 55.58 2x42 n ASP 446 Cb 0.62 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 41.30 2x42 n ASP 446 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2x42 s VAL 447 N -2.55 0.15 -0.06 2.53 -7.23 -0.88 -4.27 120.40 108.09 2x42 s VAL 447 Ca -0.18 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 2x42 s VAL 447 Cb 0.07 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 36.02 2x42 s VAL 447 CO 0.76 -0.67 -0.05 0.00 -0.31 0.00 0.00 175.10 174.83 2x42 s ALA 448 N -2.78 3.07 -0.12 1.32 0.00 -0.75 -1.23 121.76 121.26 2x42 s ALA 448 Ca -0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 2x42 s ALA 448 Cb -0.00 -1.27 0.04 0.00 0.00 0.00 0.00 23.12 21.89 2x42 s ALA 448 CO -0.06 0.59 -0.00 0.08 0.00 0.00 0.00 175.76 176.37 2x42 s VAL 449 N -0.87 0.58 -0.17 0.00 1.01 -0.64 -0.20 120.40 120.10 2x42 s VAL 449 Ca 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 2x42 s VAL 449 Cb -0.11 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 2x42 s VAL 449 CO 0.03 0.13 -0.06 -0.63 0.00 0.00 0.00 175.10 174.57 2x42 s ILE 450 N 1.87 3.49 -0.22 2.22 1.01 0.11 0.09 121.20 129.77 2x42 s ILE 450 Ca 0.03 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.07 2x42 s ILE 450 Cb -0.14 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 2x42 s ILE 450 CO -0.07 0.47 0.25 -0.69 0.00 0.00 0.00 174.94 174.91 2x42 s VAL 451 N 0.79 5.30 -0.20 2.92 1.01 -0.00 0.10 120.40 130.32 2x42 s VAL 451 Ca -0.02 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 2x42 s VAL 451 Cb -0.15 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2x42 s VAL 451 CO 0.02 0.32 -0.12 -0.63 0.00 0.00 0.00 175.10 174.68 2x42 s ILE 452 N 1.09 2.69 0.05 2.22 -1.09 -0.26 -4.41 121.20 121.50 2x42 s ILE 452 Ca 0.12 -0.75 0.08 0.00 -2.23 0.00 0.00 60.65 57.87 2x42 s ILE 452 Cb -0.14 -2.20 -0.03 0.00 -1.58 0.00 0.00 42.46 38.51 2x42 s ILE 452 CO 0.05 0.47 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.59 2x42 s SER 453 N 1.38 3.65 0.01 3.58 0.01 -1.26 0.10 113.70 121.17 2x42 s SER 453 Ca 0.05 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.82 2x42 s SER 453 Cb -0.14 -0.52 -0.01 0.00 0.21 0.00 0.00 66.02 65.56 2x42 s SER 453 CO -0.08 0.25 0.01 -0.13 0.41 0.00 0.00 173.24 173.70 2x42 s ARG 454 N -1.46 0.26 0.04 12.44 1.81 -0.40 -4.96 118.95 126.68 2x42 s ARG 454 Ca 0.14 -0.41 0.02 0.00 -1.72 0.00 0.00 55.73 53.76 2x42 s ARG 454 Cb -0.10 0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.47 2x42 s ARG 454 CO 0.05 -0.05 -0.07 -1.50 -0.68 0.00 0.00 175.30 173.05 2x42 s ILE 455 N -1.06 0.51 0.34 1.52 2.07 -1.26 -4.33 121.20 118.99 2x42 s ILE 455 Ca -0.12 -1.03 0.02 0.00 -1.41 0.00 0.00 60.65 58.11 2x42 s ILE 455 Cb -0.07 -0.58 -0.01 0.00 0.13 0.00 0.00 42.46 41.94 2x42 s ILE 455 CO -0.00 -0.37 0.40 -1.54 -1.91 0.00 0.00 174.94 171.52 2x42 n SER 456 N 1.54 -1.07 -3.60 4.50 3.41 -1.26 -5.05 113.62 112.09 2x42 n SER 456 Ca -0.22 -2.97 0.02 0.00 -0.26 0.00 0.00 58.87 55.43 2x42 n SER 456 Cb 0.55 2.14 -0.00 0.00 -0.26 0.00 0.00 64.21 66.64 2x42 n SER 456 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2x42 s GLY 457 N -3.19 -0.44 0.25 5.00 0.00 -1.03 -1.50 107.32 106.42 2x42 s GLY 457 Ca 0.33 0.86 -0.31 0.00 0.00 0.00 0.00 44.72 45.60 2x42 s GLY 457 CO 0.23 0.17 1.35 -2.21 0.00 0.00 0.00 173.10 172.64 2x42 n GLU 458 N -0.47 1.93 0.00 2.90 2.13 -0.85 -2.61 120.64 123.68 2x42 n GLU 458 Ca -0.08 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.42 2x42 n GLU 458 Cb 0.63 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 30.03 2x42 n GLU 458 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2x42 n GLY 459 N 1.92 3.19 3.15 8.31 0.00 -1.26 -4.80 105.19 115.70 2x42 n GLY 459 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2x42 n GLY 459 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x42 s TYR 460 N -2.70 1.89 0.25 1.61 2.02 -1.07 -4.70 117.35 114.64 2x42 s TYR 460 Ca 0.00 -0.61 -0.07 0.00 -0.37 0.00 0.00 57.07 56.02 2x42 s TYR 460 Cb 0.00 -1.28 -0.06 0.00 -0.40 0.00 0.00 41.96 40.22 2x42 s TYR 460 CO 0.00 -0.23 0.54 -0.51 -1.57 0.00 0.00 175.55 173.78 2x42 s ASP 461 N 0.16 6.54 0.88 2.29 -0.00 -1.26 -3.27 116.67 122.01 2x42 s ASP 461 Ca -0.08 0.82 -0.12 0.00 -0.00 0.00 0.00 52.55 53.17 2x42 s ASP 461 Cb -0.13 -2.18 0.12 0.00 -0.00 0.00 0.00 42.92 40.72 2x42 s ASP 461 CO 0.04 -0.11 1.15 -0.13 -0.00 0.00 0.00 175.17 176.11 2x42 s ARG 462 N -3.10 1.39 0.11 8.23 0.52 0.75 -4.87 118.95 121.98 2x42 s ARG 462 Ca 0.46 0.26 0.09 0.00 -0.52 0.00 0.00 55.73 56.02 2x42 s ARG 462 Cb -0.11 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.45 2x42 s ARG 462 CO 0.25 -2.02 -0.24 0.15 0.02 0.00 0.00 175.30 173.46 2x42 s LYS 463 N -5.35 1.29 -1.44 3.54 -0.14 -1.26 -4.87 119.74 111.51 2x42 s LYS 463 Ca 0.63 -1.22 -0.09 0.00 -1.36 0.00 0.00 55.97 53.93 2x42 s LYS 463 Cb -0.14 -1.64 -0.09 0.00 -1.68 0.00 0.00 37.83 34.28 2x42 s LYS 463 CO 0.52 0.39 2.88 -0.35 -0.76 0.00 0.00 175.35 178.04 2x42 n PRO 464 N 1.10 3.39 -4.30 -1.68 -0.04 -1.26 -2.96 135.00 129.25 2x42 n PRO 464 Ca -0.19 -2.03 -0.16 0.00 -0.04 0.00 0.00 63.50 61.09 2x42 n PRO 464 Cb 0.53 -2.71 -0.10 0.00 -0.04 0.00 0.00 33.50 31.18 2x42 n PRO 464 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2x42 s VAL 465 N 2.27 0.93 0.39 0.52 -7.23 -1.26 -4.87 120.40 111.16 2x42 s VAL 465 Ca 0.66 -2.02 -0.27 0.00 -1.81 0.00 0.00 61.98 58.53 2x42 s VAL 465 Cb 0.18 -2.25 -0.10 0.00 0.56 0.00 0.00 36.38 34.76 2x42 s VAL 465 CO -0.05 -0.39 1.44 0.29 -0.31 0.00 0.00 175.10 176.08 2x42 n LYS 466 N -0.35 2.48 -0.25 4.82 5.02 -1.26 -1.57 118.16 127.04 2x42 n LYS 466 Ca -0.06 0.87 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 2x42 n LYS 466 Cb 0.63 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 2x42 n LYS 466 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x42 n GLY 467 N 0.53 1.56 0.00 0.72 0.00 0.14 -4.75 105.19 103.39 2x42 n GLY 467 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2x42 n GLY 467 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2x42 n ASP 468 N 0.00 0.00 -0.24 1.61 4.64 -0.61 -4.87 116.55 117.08 2x42 n ASP 468 Ca 0.00 0.00 -0.07 0.00 -1.38 0.00 0.00 54.79 53.34 2x42 n ASP 468 Cb 0.00 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.12 2x42 n ASP 468 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 2x42 h PHE 469 N 0.00 1.03 -3.08 -0.67 3.57 -1.39 -3.43 116.94 112.97 2x42 h PHE 469 Ca 0.00 -0.08 -0.54 0.00 3.53 0.00 0.00 57.97 60.88 2x42 h PHE 469 Cb 0.00 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 2x42 h PHE 469 CO 0.00 0.81 -0.26 0.71 -2.23 0.00 0.00 178.31 177.34 2x42 s TYR 470 N -5.52 3.47 0.42 0.41 1.51 -0.88 -0.92 117.35 115.84 2x42 s TYR 470 Ca -0.13 0.52 -0.26 0.00 -1.01 0.00 0.00 57.07 56.20 2x42 s TYR 470 Cb 0.14 -1.99 -0.09 0.00 -0.11 0.00 0.00 41.96 39.91 2x42 s TYR 470 CO 0.81 0.32 1.36 -0.51 -1.11 0.00 0.00 175.55 176.43 2x42 s LEU 471 N -3.18 4.18 0.76 -1.29 1.02 -1.26 0.25 118.68 119.14 2x42 s LEU 471 Ca 0.41 2.77 -0.11 0.00 0.02 0.00 0.00 54.13 57.23 2x42 s LEU 471 Cb -0.11 -3.91 0.05 0.00 0.02 0.00 0.00 46.19 42.24 2x42 s LEU 471 CO 0.28 -0.98 1.08 -0.94 0.02 0.00 0.00 176.35 175.81 2x42 s SER 472 N -0.63 4.70 0.29 2.29 1.04 -1.26 -3.84 113.70 116.30 2x42 s SER 472 Ca 0.58 1.77 -0.01 0.00 0.48 0.00 0.00 55.95 58.77 2x42 s SER 472 Cb -0.41 -2.51 0.46 0.00 0.10 0.00 0.00 66.02 63.66 2x42 s SER 472 CO 0.52 -1.90 1.91 0.44 0.98 0.00 0.00 173.24 175.20 2x42 h ASP 473 N -1.04 0.97 0.24 7.02 3.32 -1.95 -1.04 116.42 123.95 2x42 h ASP 473 Ca -0.44 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.52 2x42 h ASP 473 Cb 1.23 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 2x42 h ASP 473 CO 0.53 0.64 -0.37 -2.24 -1.72 0.00 0.00 179.24 176.08 2x42 h ASP 474 N 1.11 0.20 -0.30 6.45 -0.00 -1.98 0.75 116.42 122.66 2x42 h ASP 474 Ca 0.39 -0.08 -0.12 0.00 -0.00 0.00 0.00 57.03 57.22 2x42 h ASP 474 Cb 0.11 -0.06 -0.00 0.00 -0.00 0.00 0.00 39.33 39.38 2x42 h ASP 474 CO -0.13 0.56 -0.30 -0.33 -0.00 0.00 0.00 179.24 179.04 2x42 h GLU 475 N 0.17 0.73 -0.74 4.15 5.08 -1.71 -1.49 114.58 120.76 2x42 h GLU 475 Ca 0.02 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 2x42 h GLU 475 Cb 0.74 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2x42 h GLU 475 CO 0.06 1.00 0.29 1.15 -1.00 0.00 0.00 179.01 180.51 2x42 h THR 476 N 0.48 1.25 -0.56 1.13 2.02 -0.91 -2.10 112.91 114.22 2x42 h THR 476 Ca 0.05 -0.81 -0.11 0.00 0.77 0.00 0.00 66.41 66.30 2x42 h THR 476 Cb 0.87 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2x42 h THR 476 CO 0.07 0.33 -0.07 0.44 0.37 0.00 0.00 175.52 176.66 2x42 h ASP 477 N 1.08 1.01 -0.01 4.18 3.32 -0.80 -1.27 116.42 123.93 2x42 h ASP 477 Ca 0.25 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 2x42 h ASP 477 Cb 0.23 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2x42 h ASP 477 CO -0.02 1.10 0.01 0.25 -1.72 0.00 0.00 179.24 178.86 2x42 h LEU 478 N 0.92 0.01 -0.52 1.55 5.85 -1.09 -1.44 115.31 120.59 2x42 h LEU 478 Ca 0.15 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2x42 h LEU 478 Cb 0.63 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2x42 h LEU 478 CO 0.04 0.06 0.30 0.40 -0.34 0.00 0.00 178.44 178.91 2x42 h ILE 479 N -0.04 1.17 -0.30 4.05 2.04 -1.26 0.32 117.51 123.49 2x42 h ILE 479 Ca 0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2x42 h ILE 479 Cb 0.05 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2x42 h ILE 479 CO -0.00 0.17 0.19 0.11 0.00 0.00 0.00 178.15 178.62 2x42 h LYS 480 N 0.69 0.38 0.02 2.37 1.57 -1.13 0.92 116.57 121.39 2x42 h LYS 480 Ca 0.18 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2x42 h LYS 480 Cb 0.01 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2x42 h LYS 480 CO -0.03 0.25 -0.01 1.15 -0.57 0.00 0.00 179.45 180.24 2x42 h THR 481 N 0.39 1.32 -0.52 -0.16 2.02 -1.08 -0.75 112.91 114.14 2x42 h THR 481 Ca 0.11 -1.04 0.04 0.00 0.77 0.00 0.00 66.41 66.29 2x42 h THR 481 Cb -0.04 2.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 2x42 h THR 481 CO -0.03 0.27 0.27 0.58 0.37 0.00 0.00 175.52 176.98 2x42 h VAL 482 N -0.48 0.97 0.06 3.16 2.07 -0.92 0.27 116.25 121.39 2x42 h VAL 482 Ca -0.00 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2x42 h VAL 482 Cb 0.46 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2x42 h VAL 482 CO 0.00 0.10 -0.17 -1.28 0.02 0.00 0.00 177.57 176.24 2x42 h SER 483 N 0.52 -0.49 -0.52 0.57 0.87 -0.78 -0.70 113.55 113.02 2x42 h SER 483 Ca 0.23 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2x42 h SER 483 Cb 0.12 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 2x42 h SER 483 CO -0.15 -0.25 0.30 -0.09 -0.53 0.00 0.00 176.83 176.11 2x42 h ARG 484 N -0.32 0.72 -0.15 2.24 2.43 -0.75 -0.19 114.38 118.36 2x42 h ARG 484 Ca 0.04 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2x42 h ARG 484 Cb 0.36 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2x42 h ARG 484 CO -0.12 0.54 0.05 0.93 -1.51 0.00 0.00 179.97 179.86 2x42 h GLU 485 N 0.70 0.23 -0.05 0.20 4.39 -0.81 -2.14 114.58 117.09 2x42 h GLU 485 Ca 0.19 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.66 2x42 h GLU 485 Cb 0.02 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2x42 h GLU 485 CO -0.03 0.36 -0.73 0.74 -1.16 0.00 0.00 179.01 178.20 2x42 h PHE 486 N 0.06 0.40 -0.04 4.33 0.04 -1.00 -2.93 116.94 117.80 2x42 h PHE 486 Ca 0.05 -0.18 -0.13 0.00 2.80 0.00 0.00 57.97 60.51 2x42 h PHE 486 Cb 0.23 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 2x42 h PHE 486 CO 0.00 0.92 -0.57 0.45 -0.60 0.00 0.00 178.31 178.51 2x42 h HIS 487 N 0.20 0.16 -0.62 -0.55 3.86 -1.04 0.52 115.15 117.67 2x42 h HIS 487 Ca -0.03 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.07 2x42 h HIS 487 Cb 1.29 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.70 2x42 h HIS 487 CO 0.03 0.66 0.16 0.93 0.86 0.00 0.00 177.93 180.57 2x42 h GLU 488 N 0.09 0.97 -0.01 2.45 4.39 -1.29 -2.15 114.58 119.03 2x42 h GLU 488 Ca -0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2x42 h GLU 488 Cb 1.03 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2x42 h GLU 488 CO 0.08 0.85 0.00 1.04 -1.16 0.00 0.00 179.01 179.83 2x42 n GLN 489 N -4.26 1.06 -1.06 2.33 1.13 -1.03 -4.86 117.38 110.70 2x42 n GLN 489 Ca 0.05 -0.09 -0.01 0.00 -1.94 0.00 0.00 57.00 55.00 2x42 n GLN 489 Cb 0.24 -1.29 -0.01 0.00 0.11 0.00 0.00 30.24 29.29 2x42 n GLN 489 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2x42 n GLY 490 N 0.81 0.47 3.64 1.08 0.00 -0.81 -5.04 105.19 105.35 2x42 n GLY 490 Ca 0.14 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 2x42 n GLY 490 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x42 s LYS 491 N -2.14 2.29 0.18 1.61 1.02 0.18 -4.98 119.74 117.90 2x42 s LYS 491 Ca 0.00 -1.29 -0.06 0.00 0.02 0.00 0.00 55.97 54.64 2x42 s LYS 491 Cb 0.00 -2.23 -0.06 0.00 -0.52 0.00 0.00 37.83 35.03 2x42 s LYS 491 CO 0.00 0.40 0.43 0.15 -0.92 0.00 0.00 175.35 175.42 2x42 s LYS 492 N -3.31 3.66 -0.06 1.68 -0.14 -1.26 -3.43 119.74 116.88 2x42 s LYS 492 Ca 0.29 -0.01 0.05 0.00 -1.36 0.00 0.00 55.97 54.94 2x42 s LYS 492 Cb -0.08 -2.78 -0.00 0.00 -1.68 0.00 0.00 37.83 33.29 2x42 s LYS 492 CO 0.19 0.40 -0.20 0.54 -0.76 0.00 0.00 175.35 175.52 2x42 s VAL 493 N -1.75 1.70 -0.04 3.17 0.11 -1.26 -1.81 120.40 120.53 2x42 s VAL 493 Ca 0.43 -0.85 0.06 0.00 -2.93 0.00 0.00 61.98 58.69 2x42 s VAL 493 Cb -0.12 -1.46 -0.02 0.00 -1.53 0.00 0.00 36.38 33.25 2x42 s VAL 493 CO 0.24 0.48 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.65 2x42 s ILE 494 N 0.12 2.45 -0.09 7.04 1.01 0.72 -1.05 121.20 131.40 2x42 s ILE 494 Ca -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.63 2x42 s ILE 494 Cb -0.14 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 2x42 s ILE 494 CO 0.04 0.58 -0.13 -0.69 0.00 0.00 0.00 174.94 174.74 2x42 s VAL 495 N -0.61 3.08 -0.25 2.92 1.01 0.70 0.07 120.40 127.31 2x42 s VAL 495 Ca 0.09 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 2x42 s VAL 495 Cb -0.11 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 2x42 s VAL 495 CO -0.00 0.56 0.04 -0.76 0.00 0.00 0.00 175.10 174.93 2x42 s LEU 496 N -0.18 3.39 -0.56 3.92 1.43 0.12 -0.88 118.68 125.92 2x42 s LEU 496 Ca -0.00 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 2x42 s LEU 496 Cb -0.13 -1.85 0.07 0.00 0.03 0.00 0.00 46.19 44.31 2x42 s LEU 496 CO 0.03 -0.08 0.75 -0.76 0.23 0.00 0.00 176.35 176.52 2x42 s LEU 497 N 1.53 4.87 -1.11 1.79 1.43 0.44 -1.10 118.68 126.54 2x42 s LEU 497 Ca 0.05 -1.00 -0.05 0.00 -1.03 0.00 0.00 54.13 52.10 2x42 s LEU 497 Cb -0.16 -2.45 0.29 0.00 0.03 0.00 0.00 46.19 43.90 2x42 s LEU 497 CO 0.01 -1.10 1.53 -3.20 0.23 0.00 0.00 176.35 173.83 2x42 n ASN 498 N 6.65 6.20 -4.32 2.29 5.15 0.11 -1.49 115.26 129.85 2x42 n ASN 498 Ca -0.06 -3.36 -0.17 0.00 -0.60 0.00 0.00 54.58 50.40 2x42 n ASN 498 Cb 0.45 -1.31 -0.10 0.00 -0.53 0.00 0.00 39.78 38.29 2x42 n ASN 498 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2x42 s ILE 499 N -2.25 0.71 -0.85 -1.44 -4.36 -1.07 -1.27 121.20 110.66 2x42 s ILE 499 Ca 0.32 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.79 2x42 s ILE 499 Cb 0.05 -2.54 0.12 0.00 1.25 0.00 0.00 42.46 41.33 2x42 s ILE 499 CO 0.09 -0.11 0.90 0.61 0.24 0.00 0.00 174.94 176.66 2x42 n GLY 500 N -0.45 0.57 3.61 6.27 0.00 -1.26 -3.40 105.19 110.52 2x42 n GLY 500 Ca -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 2x42 n GLY 500 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x42 s SER 501 N -0.77 -0.10 0.43 1.61 1.04 -1.26 -3.03 113.70 111.62 2x42 s SER 501 Ca 0.12 -0.06 -0.24 0.00 0.48 0.00 0.00 55.95 56.24 2x42 s SER 501 Cb 0.07 0.15 -0.10 0.00 0.10 0.00 0.00 66.02 66.24 2x42 s SER 501 CO 0.10 -0.26 1.14 -2.65 0.98 0.00 0.00 173.24 172.55 2x42 n PRO 502 N -0.26 1.60 -4.37 4.02 -0.02 -1.26 -5.03 135.00 129.68 2x42 n PRO 502 Ca -0.03 0.57 -0.19 0.00 -2.02 0.00 0.00 63.50 61.83 2x42 n PRO 502 Cb 0.60 -2.22 -0.10 0.00 -0.02 0.00 0.00 33.50 31.76 2x42 n PRO 502 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2x42 s VAL 503 N -1.25 1.33 0.33 -1.45 -7.23 -1.26 -4.87 120.40 106.00 2x42 s VAL 503 Ca 0.63 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 2x42 s VAL 503 Cb -0.53 -2.34 -0.11 0.00 0.56 0.00 0.00 36.38 33.96 2x42 s VAL 503 CO 0.57 -0.36 1.55 -0.70 -0.31 0.00 0.00 175.10 175.85 2x42 s GLU 504 N -3.79 4.11 0.00 4.82 -6.30 -0.10 -4.89 118.70 112.56 2x42 s GLU 504 Ca 0.28 2.58 0.00 0.00 -2.50 0.00 0.00 54.97 55.33 2x42 s GLU 504 Cb 0.04 -3.00 0.00 0.00 0.00 0.00 0.00 34.13 31.17 2x42 s GLU 504 CO 0.09 -0.60 0.00 1.33 0.02 0.00 0.00 175.26 176.10 2x42 n VAL 505 N 1.50 0.00 -0.18 3.70 0.24 -1.26 -4.77 118.33 117.56 2x42 n VAL 505 Ca 0.05 -0.01 -0.03 0.00 -2.04 0.00 0.00 64.34 62.32 2x42 n VAL 505 Cb 0.38 0.18 0.18 0.00 -1.47 0.00 0.00 33.84 33.11 2x42 n VAL 505 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2x42 h VAL 506 N 0.00 1.23 0.00 3.34 2.07 -1.90 -0.88 116.25 120.11 2x42 h VAL 506 Ca 0.00 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2x42 h VAL 506 Cb 0.00 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2x42 h VAL 506 CO 0.00 0.29 0.00 0.77 0.02 0.00 0.00 177.57 178.65 2x42 h SER 507 N 0.91 0.00 0.00 0.57 4.64 -1.91 -3.36 113.55 114.41 2x42 h SER 507 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2x42 h SER 507 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2x42 h SER 507 CO -0.02 0.00 -0.59 -2.67 -0.87 0.00 0.00 176.83 172.68 2x42 n TRP 508 N -2.99 0.00 0.17 4.77 4.27 -1.09 -4.82 117.44 117.75 2x42 n TRP 508 Ca 0.01 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.73 2x42 n TRP 508 Cb 0.28 0.00 0.65 0.00 -1.36 0.00 0.00 31.31 30.88 2x42 n TRP 508 CO 0.00 0.00 0.00 0.07 -2.29 0.00 0.00 177.69 175.47 2x42 h ARG 509 N 0.00 0.02 0.00 -2.67 0.11 -1.31 0.19 114.38 110.72 2x42 h ARG 509 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2x42 h ARG 509 Cb 0.01 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 2x42 h ARG 509 CO 0.00 0.01 0.00 -0.25 0.10 0.00 0.00 179.97 179.83 2x42 n ASP 510 N -4.49 0.00 0.06 0.08 8.00 -1.26 -2.51 116.55 116.43 2x42 n ASP 510 Ca 0.01 -0.37 0.12 0.00 0.71 0.00 0.00 54.79 55.26 2x42 n ASP 510 Cb 0.25 -0.18 0.15 0.00 -0.02 0.00 0.00 41.12 41.31 2x42 n ASP 510 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2x42 h LEU 511 N 0.00 0.00 -9.42 0.64 3.38 -0.96 -3.47 115.31 105.47 2x42 h LEU 511 Ca 0.00 -0.20 -0.55 0.00 0.09 0.00 0.00 57.88 57.21 2x42 h LEU 511 Cb 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.78 2x42 h LEU 511 CO 0.00 0.10 -0.62 0.68 0.09 0.00 0.00 178.44 178.69 2x42 s VAL 512 N -3.19 1.68 -0.16 1.22 -7.23 -1.04 -4.78 120.40 106.90 2x42 s VAL 512 Ca 0.05 -2.03 0.12 0.00 -1.81 0.00 0.00 61.98 58.31 2x42 s VAL 512 Cb 0.13 -2.83 -0.18 0.00 0.56 0.00 0.00 36.38 34.06 2x42 s VAL 512 CO 0.73 -0.05 0.02 0.47 -0.31 0.00 0.00 175.10 175.96 2x42 n ASP 513 N -0.81 1.41 -4.07 4.85 8.00 -0.22 -4.94 116.55 120.79 2x42 n ASP 513 Ca -0.04 -0.01 -0.20 0.00 0.71 0.00 0.00 54.79 55.24 2x42 n ASP 513 Cb 0.66 0.72 -0.15 0.00 -0.02 0.00 0.00 41.12 42.33 2x42 n ASP 513 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2x42 s GLY 514 N -5.01 0.57 -0.08 0.44 0.00 -0.93 0.25 107.32 102.56 2x42 s GLY 514 Ca -0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 44.72 44.11 2x42 s GLY 514 CO 0.60 -0.41 -0.01 -0.42 0.00 0.00 0.00 173.10 172.86 2x42 s ILE 515 N -0.26 0.46 -0.20 0.90 1.01 0.09 -0.21 121.20 122.98 2x42 s ILE 515 Ca 0.04 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 2x42 s ILE 515 Cb -0.05 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 2x42 s ILE 515 CO -0.00 0.27 -0.07 -0.76 0.00 0.00 0.00 174.94 174.38 2x42 s LEU 516 N 1.94 2.83 -0.66 2.97 1.43 -0.06 -1.26 118.68 125.87 2x42 s LEU 516 Ca 0.05 -0.39 -0.23 0.00 -1.03 0.00 0.00 54.13 52.53 2x42 s LEU 516 Cb -0.12 -1.70 0.07 0.00 0.03 0.00 0.00 46.19 44.46 2x42 s LEU 516 CO -0.06 0.01 0.98 -0.22 0.23 0.00 0.00 176.35 177.29 2x42 s LEU 517 N 1.27 4.33 0.00 1.79 2.96 0.59 -0.42 118.68 129.20 2x42 s LEU 517 Ca 0.03 -0.97 0.24 0.00 -0.22 0.00 0.00 54.13 53.22 2x42 s LEU 517 Cb -0.14 -2.43 0.46 0.00 0.50 0.00 0.00 46.19 44.58 2x42 s LEU 517 CO -0.03 -1.46 1.41 1.33 -1.32 0.00 0.00 176.35 176.29 2x42 n VAL 518 N 5.94 0.17 -1.01 1.68 0.24 -0.56 -0.89 118.33 123.91 2x42 n VAL 518 Ca -0.04 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 2x42 n VAL 518 Cb 0.46 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 2x42 n VAL 518 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 2x42 n TRP 519 N 1.09 0.00 -3.84 6.34 7.02 -0.93 -4.12 117.44 123.00 2x42 n TRP 519 Ca 0.17 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.35 2x42 n TRP 519 Cb 0.53 0.01 -0.16 0.00 -2.42 0.00 0.00 31.31 29.28 2x42 n TRP 519 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2x42 s GLN 520 N 0.00 1.13 -0.28 -0.99 -0.21 -1.22 -2.60 119.66 115.48 2x42 s GLN 520 Ca 0.00 -0.82 0.11 0.00 0.02 0.00 0.00 55.36 54.67 2x42 s GLN 520 Cb 0.00 -2.35 0.65 0.00 1.00 0.00 0.00 33.01 32.31 2x42 s GLN 520 CO 0.00 -0.68 1.65 0.00 -2.12 0.00 0.00 175.29 174.14 2x42 n ALA 521 N 4.82 4.14 -0.41 6.09 0.00 -1.24 -2.15 120.51 131.77 2x42 n ALA 521 Ca -0.09 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 50.86 2x42 n ALA 521 Cb 0.45 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2x42 n ALA 521 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x42 n GLY 522 N -0.44 -0.01 0.24 0.00 0.00 -0.41 -3.69 105.19 100.87 2x42 n GLY 522 Ca 0.35 -0.97 0.10 0.00 0.00 0.00 0.00 46.02 45.51 2x42 n GLY 522 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2x42 h GLN 523 N 0.00 0.00 -0.24 1.61 3.07 -1.32 -2.93 115.11 115.30 2x42 h GLN 523 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2x42 h GLN 523 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2x42 h GLN 523 CO 0.00 0.20 0.00 0.39 0.09 0.00 0.00 178.83 179.51 2x42 n GLU 524 N -3.59 2.11 -0.38 0.06 -0.58 -1.25 -1.12 120.64 115.88 2x42 n GLU 524 Ca -0.01 -1.66 -0.07 0.00 -0.42 0.00 0.00 57.16 55.00 2x42 n GLU 524 Cb 0.34 -1.45 -0.05 0.00 -0.57 0.00 0.00 31.44 29.70 2x42 n GLU 524 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2x42 n THR 525 N 0.90 -0.59 -0.05 2.62 -1.04 -1.11 -1.02 114.28 113.99 2x42 n THR 525 Ca 0.17 2.23 0.04 0.00 -2.04 0.00 0.00 64.05 64.46 2x42 n THR 525 Cb 0.47 -2.82 0.40 0.00 -1.82 0.00 0.00 70.33 66.56 2x42 n THR 525 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2x42 h GLY 526 N 0.00 0.67 0.44 3.41 0.00 -0.78 0.14 103.07 106.94 2x42 h GLY 526 Ca 0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2x42 h GLY 526 CO -0.89 0.23 -0.00 3.21 0.00 0.00 0.00 176.54 179.08 2x42 h ARG 527 N 0.63 -0.01 -0.48 4.80 3.08 -1.33 -0.88 114.38 120.19 2x42 h ARG 527 Ca 0.19 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.33 2x42 h ARG 527 Cb -0.01 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 2x42 h ARG 527 CO -0.04 0.55 0.04 0.82 -1.07 0.00 0.00 179.97 180.26 2x42 h ILE 528 N -0.58 0.68 0.12 2.04 2.04 -0.96 -0.95 117.51 119.89 2x42 h ILE 528 Ca -0.00 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2x42 h ILE 528 Cb 0.56 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2x42 h ILE 528 CO 0.00 0.03 -0.06 0.58 0.00 0.00 0.00 178.15 178.71 2x42 h VAL 529 N 0.16 0.98 -0.74 1.67 2.07 -0.71 -0.79 116.25 118.89 2x42 h VAL 529 Ca 0.24 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.50 2x42 h VAL 529 Cb 0.34 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 2x42 h VAL 529 CO -0.36 0.09 0.37 0.00 0.02 0.00 0.00 177.57 177.69 2x42 h ALA 530 N 0.54 1.03 -0.04 1.67 0.00 -1.05 -1.63 119.26 119.78 2x42 h ALA 530 Ca -0.02 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2x42 h ALA 530 Cb 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2x42 h ALA 530 CO 0.03 -0.05 -0.46 -0.44 0.00 0.00 0.00 179.25 178.32 2x42 h ASP 531 N 0.60 0.09 0.00 0.00 3.45 -0.86 -2.55 116.42 117.14 2x42 h ASP 531 Ca 0.37 -0.04 -0.16 0.00 0.43 0.00 0.00 57.03 57.64 2x42 h ASP 531 Cb 0.42 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 2x42 h ASP 531 CO -0.29 0.54 -0.52 0.58 -1.57 0.00 0.00 179.24 177.98 2x42 h VAL 532 N 0.07 1.32 -0.81 -1.35 2.07 -0.62 -1.13 116.25 115.79 2x42 h VAL 532 Ca 0.00 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.74 2x42 h VAL 532 Cb 0.84 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 2x42 h VAL 532 CO 0.06 0.55 0.36 -0.07 0.02 0.00 0.00 177.57 178.49 2x42 h LEU 533 N 0.44 1.09 -0.05 2.57 3.38 -0.94 -2.94 115.31 118.87 2x42 h LEU 533 Ca 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2x42 h LEU 533 Cb 1.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2x42 h LEU 533 CO 0.10 0.94 -0.35 0.35 0.09 0.00 0.00 178.44 179.57 2x42 n THR 534 N -4.29 0.00 -0.69 0.22 -2.24 -1.00 0.15 114.28 106.43 2x42 n THR 534 Ca 0.08 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2x42 n THR 534 Cb 0.16 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2x42 n THR 534 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x42 n GLY 535 N 1.47 0.73 0.27 3.38 0.00 -1.05 -4.68 105.19 105.32 2x42 n GLY 535 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 2x42 n GLY 535 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2x42 h ARG 536 N 2.59 0.24 -5.29 1.61 2.43 -1.55 -3.37 114.38 111.05 2x42 h ARG 536 Ca 0.00 -0.02 -0.63 0.00 -0.81 0.00 0.00 59.98 58.52 2x42 h ARG 536 Cb 0.00 -0.05 -0.20 0.00 -0.42 0.00 0.00 29.97 29.30 2x42 h ARG 536 CO 0.00 0.21 -0.64 0.42 -1.51 0.00 0.00 179.97 178.45 2x42 s ILE 537 N -5.14 4.14 -0.41 1.20 1.01 -0.54 -4.99 121.20 116.48 2x42 s ILE 537 Ca -0.06 -0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.17 2x42 s ILE 537 Cb 0.17 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.82 2x42 s ILE 537 CO 0.71 0.48 0.33 0.21 0.00 0.00 0.00 174.94 176.67 2x42 s ASN 538 N 0.38 6.13 -0.10 3.58 3.84 -1.26 -4.51 114.94 122.99 2x42 s ASN 538 Ca -0.02 -0.82 -0.41 0.00 0.21 0.00 0.00 52.86 51.82 2x42 s ASN 538 Cb -0.14 -2.17 -0.20 0.00 -0.55 0.00 0.00 41.25 38.19 2x42 s ASN 538 CO 0.02 -0.46 1.20 -2.65 -2.79 0.00 0.00 177.10 172.42 2x42 n PRO 539 N 5.25 0.07 0.00 0.43 -0.02 -1.26 -4.72 135.00 134.75 2x42 n PRO 539 Ca -0.10 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2x42 n PRO 539 Cb 0.47 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 2x42 n PRO 539 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2x42 n SER 540 N 2.10 0.48 -4.81 2.55 3.41 -1.26 -4.46 113.62 111.64 2x42 n SER 540 Ca 0.22 -1.20 -0.33 0.00 -0.26 0.00 0.00 58.87 57.30 2x42 n SER 540 Cb 0.06 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 2x42 n SER 540 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2x42 s GLY 541 N -0.20 2.39 0.03 5.00 0.00 -0.99 -4.60 107.32 108.95 2x42 s GLY 541 Ca 0.00 0.45 0.01 0.00 0.00 0.00 0.00 44.72 45.18 2x42 s GLY 541 CO 0.00 0.74 -0.06 0.54 0.00 0.00 0.00 173.10 174.32 2x42 s LYS 542 N -3.29 0.43 0.22 2.90 1.02 -0.02 -4.46 119.74 116.54 2x42 s LYS 542 Ca 0.63 -0.60 -0.32 0.00 0.02 0.00 0.00 55.97 55.70 2x42 s LYS 542 Cb -0.12 -0.19 -0.13 0.00 -0.52 0.00 0.00 37.83 36.88 2x42 s LYS 542 CO 0.17 0.03 1.52 1.28 -0.92 0.00 0.00 175.35 177.43 2x42 n LEU 543 N 1.78 3.36 -1.00 3.17 4.77 0.23 -4.33 117.00 124.99 2x42 n LEU 543 Ca -0.21 1.12 0.12 0.00 -0.03 0.00 0.00 56.01 57.00 2x42 n LEU 543 Cb 0.55 -1.46 0.24 0.00 -2.33 0.00 0.00 43.42 40.42 2x42 n LEU 543 CO 0.21 -0.27 0.71 -0.81 -1.33 0.00 0.00 177.39 175.90 2x42 n PRO 544 N 2.66 2.32 -3.69 3.23 -0.04 -1.26 -0.16 135.00 138.06 2x42 n PRO 544 Ca 0.13 -1.97 -0.13 0.00 -0.04 0.00 0.00 63.50 61.49 2x42 n PRO 544 Cb 0.32 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.22 2x42 n PRO 544 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2x42 s THR 545 N -1.64 0.05 0.08 0.52 2.01 -1.26 -2.38 115.64 113.01 2x42 s THR 545 Ca 0.36 -0.44 -0.28 0.00 0.31 0.00 0.00 61.69 61.63 2x42 s THR 545 Cb 0.21 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.81 2x42 s THR 545 CO 0.30 -0.24 0.90 -0.89 -0.69 0.00 0.00 174.62 174.00 2x42 s THR 546 N -2.05 4.62 -0.45 -0.82 2.01 -1.26 -4.38 115.64 113.31 2x42 s THR 546 Ca -0.08 1.93 -0.19 0.00 0.31 0.00 0.00 61.69 63.66 2x42 s THR 546 Cb -0.02 -4.26 0.03 0.00 0.01 0.00 0.00 72.50 68.27 2x42 s THR 546 CO 0.01 0.31 0.56 -0.36 -0.69 0.00 0.00 174.62 174.45 2x42 s PHE 547 N 0.10 3.10 0.49 4.92 0.40 -0.40 -4.89 117.98 121.70 2x42 s PHE 547 Ca 0.45 -0.30 -0.19 0.00 -0.60 0.00 0.00 56.93 56.29 2x42 s PHE 547 Cb -0.22 -3.21 -0.08 0.00 0.51 0.00 0.00 43.02 40.01 2x42 s PHE 547 CO 0.27 -0.84 1.00 -1.25 0.70 0.00 0.00 175.22 175.10 2x42 s PRO 548 N 2.50 3.90 0.15 0.24 0.04 -1.26 0.02 135.00 140.58 2x42 s PRO 548 Ca 0.17 1.16 -0.17 0.00 0.04 0.00 0.00 61.00 62.20 2x42 s PRO 548 Cb -0.16 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.28 2x42 s PRO 548 CO 0.15 -0.32 1.79 0.00 0.04 0.00 0.00 177.00 178.66 2x42 h ARG 549 N 1.34 0.40 -3.97 4.56 3.08 -1.85 -3.39 114.38 114.55 2x42 h ARG 549 Ca -0.48 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.40 2x42 h ARG 549 Cb 1.20 -0.09 -0.18 0.00 0.08 0.00 0.00 29.97 30.98 2x42 h ARG 549 CO 0.60 0.27 -0.63 0.34 -1.07 0.00 0.00 179.97 179.48 2x42 s ASP 550 N -5.46 0.28 0.44 7.04 -1.08 -1.26 -4.62 116.67 112.00 2x42 s ASP 550 Ca -0.13 -0.63 0.10 0.00 -0.52 0.00 0.00 52.55 51.37 2x42 s ASP 550 Cb 0.11 0.17 0.96 0.00 -1.46 0.00 0.00 42.92 42.70 2x42 s ASP 550 CO 0.71 -0.45 2.06 0.22 0.52 0.00 0.00 175.17 178.23 2x42 h TYR 551 N 3.90 0.33 0.00 -5.34 3.20 -1.98 -0.29 116.97 116.79 2x42 h TYR 551 Ca -0.33 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.54 2x42 h TYR 551 Cb 1.18 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.34 2x42 h TYR 551 CO 0.58 0.24 0.00 -1.13 -1.64 0.00 0.00 178.16 176.22 2x42 n SER 552 N -4.46 0.00 0.20 -2.11 3.41 -1.26 -1.51 113.62 107.89 2x42 n SER 552 Ca 0.01 0.47 0.09 0.00 -0.26 0.00 0.00 58.87 59.18 2x42 n SER 552 Cb 0.10 -0.48 0.16 0.00 -0.26 0.00 0.00 64.21 63.73 2x42 n SER 552 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2x42 h ASP 553 N 0.00 0.00 -2.62 4.04 3.32 -1.46 -3.46 116.42 116.24 2x42 h ASP 553 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2x42 h ASP 553 Cb 0.13 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.72 2x42 h ASP 553 CO 0.00 0.16 1.05 -0.69 -1.72 0.00 0.00 179.24 178.04 2x42 s VAL 554 N -3.17 2.62 0.25 -1.35 1.01 -0.57 -4.90 120.40 114.29 2x42 s VAL 554 Ca 0.06 0.20 0.21 0.00 0.00 0.00 0.00 61.98 62.45 2x42 s VAL 554 Cb 0.06 -3.13 0.19 0.00 0.00 0.00 0.00 36.38 33.50 2x42 s VAL 554 CO 0.69 0.00 1.85 1.55 0.00 0.00 0.00 175.10 179.19 2x42 h PRO 555 N 8.14 0.00 -3.03 2.72 0.13 -1.89 -3.31 132.00 134.75 2x42 h PRO 555 Ca -0.44 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.00 2x42 h PRO 555 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2x42 h PRO 555 CO 0.94 0.27 3.55 -1.13 -0.23 0.00 0.00 178.00 181.40 2x42 n SER 556 N -3.60 8.21 0.27 1.44 3.41 -1.26 -4.55 113.62 117.54 2x42 n SER 556 Ca -0.01 -2.69 0.16 0.00 -0.26 0.00 0.00 58.87 56.07 2x42 n SER 556 Cb 0.41 -1.53 0.69 0.00 -0.26 0.00 0.00 64.21 63.52 2x42 n SER 556 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2x42 h TRP 557 N 5.03 0.00 0.00 7.33 5.08 -1.96 -3.01 115.95 128.42 2x42 h TRP 557 Ca 0.82 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.77 2x42 h TRP 557 Cb 0.32 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.48 2x42 h TRP 557 CO 1.80 0.06 -0.09 1.79 -1.28 0.00 0.00 178.44 180.72 2x42 h THR 558 N 0.00 0.24 -1.67 0.12 1.35 -1.84 -3.44 112.91 107.67 2x42 h THR 558 Ca -0.00 -0.70 -0.68 0.00 -0.55 0.00 0.00 66.41 64.48 2x42 h THR 558 Cb 0.49 1.56 0.06 0.00 -1.73 0.00 0.00 68.15 68.53 2x42 h THR 558 CO 0.01 0.09 0.43 0.33 -0.25 0.00 0.00 175.52 176.12 2x42 n PHE 559 N -3.24 1.47 -0.94 4.73 7.35 -1.14 0.80 117.46 126.49 2x42 n PHE 559 Ca 0.00 0.66 0.01 0.00 -0.76 0.00 0.00 57.45 57.36 2x42 n PHE 559 Cb 0.33 -2.32 0.36 0.00 0.35 0.00 0.00 39.48 38.20 2x42 n PHE 559 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2x42 n PRO 560 N 2.44 4.37 0.00 -7.13 -0.04 -1.26 -5.09 135.00 128.29 2x42 n PRO 560 Ca 0.18 -3.09 0.00 0.00 -0.04 0.00 0.00 63.50 60.55 2x42 n PRO 560 Cb 0.19 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 2x42 n PRO 560 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x42 n GLY 561 N 0.29 -0.71 3.07 0.55 0.00 0.24 -4.72 105.19 103.91 2x42 n GLY 561 Ca 0.34 -2.19 -0.26 0.00 0.00 0.00 0.00 46.02 43.91 2x42 n GLY 561 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x42 s GLU 562 N 0.00 1.86 0.46 1.61 2.56 0.66 -2.46 118.70 123.38 2x42 s GLU 562 Ca 0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 54.97 54.26 2x42 s GLU 562 Cb 0.00 -1.52 -0.10 0.00 2.00 0.00 0.00 34.13 34.51 2x42 s GLU 562 CO 0.00 0.09 1.00 -1.25 -0.56 0.00 0.00 175.26 174.54 2x42 s PRO 563 N 0.49 3.99 0.30 4.30 0.05 -1.26 -0.93 135.00 141.93 2x42 s PRO 563 Ca -0.13 1.26 0.04 0.00 0.05 0.00 0.00 61.00 62.23 2x42 s PRO 563 Cb -0.15 -2.14 0.77 0.00 0.05 0.00 0.00 34.50 33.03 2x42 s PRO 563 CO 0.04 -0.26 1.66 -0.22 0.05 0.00 0.00 177.00 178.27 2x42 h LYS 564 N 1.72 0.25 0.00 4.56 3.64 -1.86 -0.35 116.57 124.54 2x42 h LYS 564 Ca -0.49 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2x42 h LYS 564 Cb 1.20 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2x42 h LYS 564 CO 0.60 0.17 -0.18 -3.47 -2.27 0.00 0.00 179.45 174.30 2x42 n ASP 565 N -5.17 0.32 -2.79 4.20 2.03 -1.26 -4.28 116.55 109.61 2x42 n ASP 565 Ca 0.23 0.30 -0.10 0.00 0.52 0.00 0.00 54.79 55.74 2x42 n ASP 565 Cb 0.72 -0.31 0.06 0.00 -0.72 0.00 0.00 41.12 40.87 2x42 n ASP 565 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2x42 n ASN 566 N -1.69 -2.24 -4.70 1.67 5.15 -0.28 -5.12 115.26 108.05 2x42 n ASN 566 Ca 0.06 -3.47 -0.42 0.00 -0.60 0.00 0.00 54.58 50.15 2x42 n ASN 566 Cb 0.36 1.62 -0.03 0.00 -0.53 0.00 0.00 39.78 41.21 2x42 n ASN 566 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2x42 s PRO 567 N 0.19 4.19 -0.03 1.20 0.02 -0.39 -4.08 135.00 136.09 2x42 s PRO 567 Ca 0.27 2.40 0.21 0.00 0.02 0.00 0.00 61.00 63.90 2x42 s PRO 567 Cb 0.27 -3.40 -0.29 0.00 0.02 0.00 0.00 34.50 31.09 2x42 s PRO 567 CO -0.13 -0.70 0.47 1.04 -0.33 0.00 0.00 177.00 177.35 2x42 n GLN 568 N 4.90 0.66 -3.70 5.54 1.13 -0.11 -4.52 117.38 121.28 2x42 n GLN 568 Ca 0.15 -0.13 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 2x42 n GLN 568 Cb 0.39 -1.55 -0.07 0.00 0.11 0.00 0.00 30.24 29.12 2x42 n GLN 568 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2x42 s LYS 569 N -3.34 0.86 -0.02 -1.09 -2.85 -1.08 -0.89 119.74 111.34 2x42 s LYS 569 Ca -0.08 -0.36 -0.00 0.00 -1.00 0.00 0.00 55.97 54.54 2x42 s LYS 569 Cb 0.12 0.38 0.03 0.00 -2.06 0.00 0.00 37.83 36.30 2x42 s LYS 569 CO 0.89 -0.28 0.03 0.54 0.10 0.00 0.00 175.35 176.62 2x42 s VAL 570 N -2.30 -0.05 -0.17 1.79 0.11 -0.46 -0.25 120.40 119.08 2x42 s VAL 570 Ca -0.06 0.19 -0.04 0.00 -2.93 0.00 0.00 61.98 59.14 2x42 s VAL 570 Cb -0.01 -0.08 -0.02 0.00 -1.53 0.00 0.00 36.38 34.73 2x42 s VAL 570 CO -0.01 0.08 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.11 2x42 s VAL 571 N 0.94 3.82 -1.40 2.04 1.01 -1.26 -1.00 120.40 124.56 2x42 s VAL 571 Ca -0.08 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 2x42 s VAL 571 Cb -0.11 -2.69 0.06 0.00 0.00 0.00 0.00 36.38 33.64 2x42 s VAL 571 CO -0.03 0.47 2.06 -1.22 0.00 0.00 0.00 175.10 176.39 2x42 n TYR 572 N 3.80 3.81 -0.13 5.22 4.02 0.03 -4.71 117.16 129.20 2x42 n TYR 572 Ca -0.17 -2.94 0.06 0.00 -0.01 0.00 0.00 57.90 54.83 2x42 n TYR 572 Cb 0.52 -2.52 0.38 0.00 -0.02 0.00 0.00 39.34 37.70 2x42 n TYR 572 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2x42 h GLU 573 N 6.40 0.67 0.00 -0.72 4.39 -1.92 -0.73 114.58 122.67 2x42 h GLU 573 Ca 0.52 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.17 2x42 h GLU 573 Cb 0.70 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2x42 h GLU 573 CO 1.75 0.44 -0.03 1.05 -1.16 0.00 0.00 179.01 181.06 2x42 h GLU 574 N 0.69 0.00 0.00 2.33 9.09 -1.85 -3.47 114.58 121.37 2x42 h GLU 574 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.67 2x42 h GLU 574 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 2x42 h GLU 574 CO -0.08 0.03 0.00 -3.47 0.05 0.00 0.00 179.01 175.54 2x42 n ASP 575 N -3.12 0.00 0.26 3.06 -0.08 -0.28 -1.35 116.55 115.04 2x42 n ASP 575 Ca 0.02 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.46 2x42 n ASP 575 Cb 0.40 0.00 0.67 0.00 2.34 0.00 0.00 41.12 44.53 2x42 n ASP 575 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2x42 h ILE 576 N 0.00 0.00 -0.53 5.18 3.07 -1.90 -3.36 117.51 119.97 2x42 h ILE 576 Ca 0.00 -0.46 -0.72 0.00 1.55 0.00 0.00 64.86 65.23 2x42 h ILE 576 Cb 0.00 1.41 -0.08 0.00 -0.27 0.00 0.00 36.82 37.89 2x42 h ILE 576 CO 0.00 0.00 2.69 -1.22 -1.05 0.00 0.00 178.15 178.57 2x42 n TYR 577 N -2.96 3.53 -4.27 0.16 4.02 -0.46 -4.80 117.16 112.38 2x42 n TYR 577 Ca 0.01 -2.93 -0.20 0.00 -0.01 0.00 0.00 57.90 54.76 2x42 n TYR 577 Cb 0.29 -2.39 -0.11 0.00 -0.02 0.00 0.00 39.34 37.11 2x42 n TYR 577 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2x42 s VAL 578 N 2.47 1.54 0.00 -0.72 0.11 -1.26 -4.14 120.40 118.39 2x42 s VAL 578 Ca 0.45 -1.71 0.00 0.00 -2.93 0.00 0.00 61.98 57.80 2x42 s VAL 578 Cb 0.11 -1.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 2x42 s VAL 578 CO -0.05 -0.30 0.00 0.61 -3.33 0.00 0.00 175.10 172.04 2x42 n GLY 579 N 0.64 1.76 0.30 6.54 0.00 -1.26 -2.78 105.19 110.39 2x42 n GLY 579 Ca -0.16 -0.50 0.16 0.00 0.00 0.00 0.00 46.02 45.52 2x42 n GLY 579 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2x42 h TYR 580 N 0.00 0.00 -0.46 1.61 -0.00 -1.96 -0.69 116.97 115.47 2x42 h TYR 580 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 58.73 58.80 2x42 h TYR 580 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 36.70 2x42 h TYR 580 CO 0.00 0.01 0.31 0.00 -0.00 0.00 0.00 178.16 178.48 2x42 h ARG 581 N 0.00 0.32 0.06 0.10 3.08 -1.84 -0.64 114.38 115.45 2x42 h ARG 581 Ca -0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2x42 h ARG 581 Cb 0.03 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2x42 h ARG 581 CO 0.00 0.21 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.16 2x42 h TYR 582 N 0.33 -0.07 -0.71 3.04 3.20 -1.24 -3.01 116.97 118.50 2x42 h TYR 582 Ca 0.20 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2x42 h TYR 582 Cb 0.39 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2x42 h TYR 582 CO -0.00 0.54 0.40 1.88 -1.64 0.00 0.00 178.16 179.34 2x42 h TYR 583 N -0.85 0.95 -0.07 -3.82 0.05 -1.44 -1.12 116.97 110.66 2x42 h TYR 583 Ca -0.01 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 2x42 h TYR 583 Cb 0.64 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2x42 h TYR 583 CO 0.15 0.65 -0.15 -0.44 -1.05 0.00 0.00 178.16 177.32 2x42 h ASP 584 N 0.98 0.26 -0.39 3.88 3.32 -1.28 -1.47 116.42 121.72 2x42 h ASP 584 Ca 0.25 -0.57 -0.13 0.00 0.02 0.00 0.00 57.03 56.60 2x42 h ASP 584 Cb 0.00 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2x42 h ASP 584 CO -0.04 0.78 -0.26 0.74 -1.72 0.00 0.00 179.24 178.74 2x42 h THR 585 N -0.25 1.28 -0.51 0.35 2.02 -1.34 -3.25 112.91 111.22 2x42 h THR 585 Ca 0.00 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.76 2x42 h THR 585 Cb 0.74 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2x42 h THR 585 CO 0.03 0.47 0.00 0.49 0.37 0.00 0.00 175.52 176.89 2x42 n PHE 586 N -4.18 0.68 -2.60 3.16 3.01 -0.45 -4.92 117.46 112.15 2x42 n PHE 586 Ca -0.02 -0.46 -0.11 0.00 1.01 0.00 0.00 57.45 57.88 2x42 n PHE 586 Cb 0.47 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 39.95 2x42 n PHE 586 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2x42 n GLY 587 N 1.11 0.10 3.70 1.37 0.00 -0.89 -5.01 105.19 105.57 2x42 n GLY 587 Ca 0.18 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 2x42 n GLY 587 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x42 s VAL 588 N -2.82 5.36 -0.16 1.61 1.01 -0.61 -5.04 120.40 119.75 2x42 s VAL 588 Ca 0.14 0.27 -0.24 0.00 0.00 0.00 0.00 61.98 62.14 2x42 s VAL 588 Cb -0.06 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2x42 s VAL 588 CO 0.17 0.38 0.78 -0.70 0.00 0.00 0.00 175.10 175.74 2x42 s GLU 589 N 0.70 4.30 0.68 2.72 2.12 -1.26 -4.53 118.70 123.43 2x42 s GLU 589 Ca 0.10 0.93 -0.09 0.00 0.36 0.00 0.00 54.97 56.27 2x42 s GLU 589 Cb -0.12 -3.56 0.03 0.00 0.26 0.00 0.00 34.13 30.74 2x42 s GLU 589 CO 0.02 -0.25 1.02 -1.25 -0.54 0.00 0.00 175.26 174.26 2x42 s PRO 590 N 1.90 2.60 0.00 4.30 0.04 -1.26 -4.41 135.00 138.17 2x42 s PRO 590 Ca 0.37 0.09 -0.25 0.00 0.04 0.00 0.00 61.00 61.24 2x42 s PRO 590 Cb -0.17 -2.13 -0.19 0.00 0.04 0.00 0.00 34.50 32.05 2x42 s PRO 590 CO 0.13 -1.05 1.36 0.00 0.04 0.00 0.00 177.00 177.48 2x42 h ALA 591 N -0.54 -0.02 -3.59 8.56 0.00 -0.61 -3.44 119.26 119.62 2x42 h ALA 591 Ca -0.45 -0.19 -0.34 0.00 0.00 0.00 0.00 54.91 53.93 2x42 h ALA 591 Cb 1.28 0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.75 2x42 h ALA 591 CO 0.62 -0.32 -0.75 0.71 0.00 0.00 0.00 179.25 179.51 2x42 s TYR 592 N -4.66 0.37 0.55 0.00 2.02 -0.91 -5.01 117.35 109.72 2x42 s TYR 592 Ca -0.15 -0.04 -0.07 0.00 -0.37 0.00 0.00 57.07 56.44 2x42 s TYR 592 Cb 0.03 -0.39 -0.02 0.00 -0.40 0.00 0.00 41.96 41.18 2x42 s TYR 592 CO 0.66 -0.10 0.89 -1.83 -1.57 0.00 0.00 175.55 173.60 2x42 s GLU 593 N 0.71 3.34 0.19 -0.62 1.03 -1.26 -1.28 118.70 120.81 2x42 s GLU 593 Ca -0.07 0.27 -0.32 0.00 0.03 0.00 0.00 54.97 54.88 2x42 s GLU 593 Cb -0.11 -2.26 -0.15 0.00 -0.80 0.00 0.00 34.13 30.81 2x42 s GLU 593 CO -0.01 -0.47 1.26 0.34 -1.33 0.00 0.00 175.26 175.05 2x42 n PHE 594 N -2.50 1.63 -0.99 4.83 7.35 -1.26 -1.79 117.46 124.72 2x42 n PHE 594 Ca 0.03 0.58 0.00 0.00 -0.76 0.00 0.00 57.45 57.30 2x42 n PHE 594 Cb 0.56 -2.35 0.00 0.00 0.35 0.00 0.00 39.48 38.04 2x42 n PHE 594 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x42 n GLY 595 N 2.10 0.80 3.76 7.13 0.00 0.78 -1.94 105.19 117.82 2x42 n GLY 595 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2x42 n GLY 595 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2x42 s TYR 596 N -3.22 3.93 -0.30 1.61 5.04 -0.74 -4.03 117.35 119.64 2x42 s TYR 596 Ca 0.00 1.83 -0.23 0.00 -2.44 0.00 0.00 57.07 56.22 2x42 s TYR 596 Cb 0.00 -2.92 0.20 0.00 0.35 0.00 0.00 41.96 39.59 2x42 s TYR 596 CO 0.00 0.44 1.46 0.20 -1.34 0.00 0.00 175.55 176.31 2x42 s GLY 597 N -1.24 0.47 0.52 8.97 0.00 -1.26 -0.60 107.32 114.19 2x42 s GLY 597 Ca 0.41 3.68 0.08 0.00 0.00 0.00 0.00 44.72 48.89 2x42 s GLY 597 CO 0.29 2.10 0.72 1.08 0.00 0.00 0.00 173.10 177.29 2x42 s LEU 598 N 0.18 3.32 0.06 0.66 1.43 0.37 -4.96 118.68 119.74 2x42 s LEU 598 Ca 0.05 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 2x42 s LEU 598 Cb -0.04 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2x42 s LEU 598 CO -0.15 -1.14 -0.03 -0.55 0.23 0.00 0.00 176.35 174.71 2x42 s SER 599 N -4.53 0.53 0.00 2.29 0.15 -1.26 -4.37 113.70 106.51 2x42 s SER 599 Ca 0.59 -1.02 0.30 0.00 0.70 0.00 0.00 55.95 56.53 2x42 s SER 599 Cb -0.08 0.20 1.55 0.00 -1.71 0.00 0.00 66.02 65.99 2x42 s SER 599 CO 0.37 -0.60 2.07 -1.22 1.20 0.00 0.00 173.24 175.06 2x42 n TYR 600 N 0.08 0.00 -4.60 3.44 4.01 -1.26 -4.83 117.16 114.00 2x42 n TYR 600 Ca -0.13 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.33 2x42 n TYR 600 Cb 0.61 -0.26 -0.08 0.00 -0.31 0.00 0.00 39.34 39.31 2x42 n TYR 600 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2x42 s THR 601 N -2.52 0.70 0.23 -0.72 -1.32 -1.26 -4.70 115.64 106.06 2x42 s THR 601 Ca 0.30 -2.00 0.11 0.00 -1.21 0.00 0.00 61.69 58.89 2x42 s THR 601 Cb 0.20 -2.24 -0.05 0.00 -1.51 0.00 0.00 72.50 68.91 2x42 s THR 601 CO 0.45 0.00 -0.15 0.42 -2.21 0.00 0.00 174.62 173.13 2x42 s THR 602 N -3.10 2.78 -0.01 5.08 -4.23 -1.26 -4.92 115.64 109.98 2x42 s THR 602 Ca 0.17 -2.05 0.03 0.00 -1.18 0.00 0.00 61.69 58.66 2x42 s THR 602 Cb 0.02 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 2x42 s THR 602 CO 0.11 -0.25 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.47 2x42 s PHE 603 N -2.07 0.91 -0.17 3.99 0.40 -1.26 -1.19 117.98 118.60 2x42 s PHE 603 Ca 0.27 -0.18 -0.02 0.00 -0.60 0.00 0.00 56.93 56.40 2x42 s PHE 603 Cb -0.07 -0.59 -0.01 0.00 0.51 0.00 0.00 43.02 42.86 2x42 s PHE 603 CO 0.14 -0.01 -0.10 -2.00 0.70 0.00 0.00 175.22 173.95 2x42 s GLU 604 N -0.28 3.37 0.07 0.44 2.56 -0.08 -4.91 118.70 119.87 2x42 s GLU 604 Ca 0.04 -0.67 -0.16 0.00 0.00 0.00 0.00 54.97 54.19 2x42 s GLU 604 Cb -0.04 -2.78 -0.06 0.00 2.00 0.00 0.00 34.13 33.25 2x42 s GLU 604 CO -0.00 0.03 0.50 0.71 -0.56 0.00 0.00 175.26 175.94 2x42 s TYR 605 N 0.84 3.70 0.35 5.30 4.12 -1.26 -1.28 117.35 129.12 2x42 s TYR 605 Ca -0.03 1.08 -0.17 0.00 0.02 0.00 0.00 57.07 57.97 2x42 s TYR 605 Cb -0.15 -2.36 0.06 0.00 -1.52 0.00 0.00 41.96 37.98 2x42 s TYR 605 CO 0.01 0.55 0.82 -1.54 0.02 0.00 0.00 175.55 175.41 2x42 s SER 606 N -1.34 -0.01 -1.28 2.29 1.04 0.56 -4.97 113.70 109.98 2x42 s SER 606 Ca 0.30 -1.04 -0.08 0.00 0.48 0.00 0.00 55.95 55.62 2x42 s SER 606 Cb -0.17 0.79 0.01 0.00 0.10 0.00 0.00 66.02 66.75 2x42 s SER 606 CO 0.17 -1.57 1.11 0.47 0.98 0.00 0.00 173.24 174.41 2x42 n ASP 607 N -1.31 -5.72 -4.71 7.02 8.00 -1.26 0.66 116.55 119.22 2x42 n ASP 607 Ca -0.07 -0.52 -0.42 0.00 0.71 0.00 0.00 54.79 54.48 2x42 n ASP 607 Cb 0.60 -4.84 -0.03 0.00 -0.02 0.00 0.00 41.12 36.83 2x42 n ASP 607 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2x42 s LEU 608 N -6.92 4.37 -0.08 0.64 2.96 -1.26 -4.05 118.68 114.33 2x42 s LEU 608 Ca 0.50 2.54 0.00 0.00 -0.22 0.00 0.00 54.13 56.95 2x42 s LEU 608 Cb -0.22 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.91 2x42 s LEU 608 CO 0.70 -0.83 -0.06 0.21 -1.32 0.00 0.00 176.35 175.05 2x42 s ASN 609 N 1.59 1.72 -0.11 3.68 3.84 0.11 -4.98 114.94 120.79 2x42 s ASN 609 Ca 0.71 -0.21 0.03 0.00 0.21 0.00 0.00 52.86 53.59 2x42 s ASN 609 Cb -0.42 -0.66 -0.00 0.00 -0.55 0.00 0.00 41.25 39.62 2x42 s ASN 609 CO 0.31 -0.10 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.62 2x42 s VAL 610 N 1.45 2.34 -0.03 -5.21 1.01 -1.26 -1.22 120.40 117.48 2x42 s VAL 610 Ca -0.01 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 2x42 s VAL 610 Cb -0.13 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.33 2x42 s VAL 610 CO -0.04 0.55 0.12 -0.94 0.00 0.00 0.00 175.10 174.79 2x42 s SER 611 N 0.35 -0.08 -0.14 3.32 1.04 -0.71 -5.00 113.70 112.48 2x42 s SER 611 Ca -0.17 0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.36 2x42 s SER 611 Cb -0.17 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.23 2x42 s SER 611 CO 0.08 -0.14 -0.03 0.12 0.98 0.00 0.00 173.24 174.26 2x42 s PHE 612 N -0.36 1.30 -2.31 5.02 5.36 -1.26 0.04 117.98 125.77 2x42 s PHE 612 Ca -0.04 -0.77 0.21 0.00 -0.96 0.00 0.00 56.93 55.37 2x42 s PHE 612 Cb -0.03 -1.13 0.73 0.00 -0.34 0.00 0.00 43.02 42.25 2x42 s PHE 612 CO 0.00 -0.53 1.54 -0.40 -1.46 0.00 0.00 175.22 174.37 2x42 n ASP 613 N 4.98 1.81 0.00 6.13 5.68 -1.06 -4.89 116.55 129.20 2x42 n ASP 613 Ca -0.10 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 2x42 n ASP 613 Cb 0.48 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 2x42 n ASP 613 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2x42 n GLY 614 N 1.16 1.66 0.00 6.12 0.00 -1.26 -4.79 105.19 108.08 2x42 n GLY 614 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2x42 n GLY 614 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2x42 n GLU 615 N -1.69 3.00 -3.84 1.61 4.07 -1.26 -4.90 120.64 117.63 2x42 n GLU 615 Ca 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 2x42 n GLU 615 Cb 0.00 -0.72 -0.16 0.00 -0.06 0.00 0.00 31.44 30.50 2x42 n GLU 615 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2x42 s THR 616 N -1.01 0.04 -0.24 6.31 2.01 -1.26 -1.86 115.64 119.64 2x42 s THR 616 Ca 0.00 0.15 -0.16 0.00 0.31 0.00 0.00 61.69 61.99 2x42 s THR 616 Cb 0.00 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.32 2x42 s THR 616 CO 0.00 0.11 0.42 -0.22 -0.69 0.00 0.00 174.62 174.24 2x42 s LEU 617 N 1.00 4.09 -0.22 4.42 2.96 0.55 -2.56 118.68 128.92 2x42 s LEU 617 Ca -0.09 0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 54.22 2x42 s LEU 617 Cb -0.13 -2.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.02 2x42 s LEU 617 CO -0.02 -0.17 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.21 2x42 s ARG 618 N 1.83 3.44 -0.17 1.98 3.52 0.11 -0.63 118.95 129.03 2x42 s ARG 618 Ca 0.18 -0.60 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 2x42 s ARG 618 Cb -0.15 -3.04 0.01 0.00 -1.56 0.00 0.00 34.95 30.21 2x42 s ARG 618 CO 0.09 -0.15 -0.17 0.08 -0.81 0.00 0.00 175.30 174.33 2x42 s VAL 619 N 1.39 2.37 0.04 7.11 1.01 0.08 -1.74 120.40 130.66 2x42 s VAL 619 Ca 0.05 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2x42 s VAL 619 Cb -0.14 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 2x42 s VAL 619 CO -0.02 0.52 -0.14 -1.58 0.00 0.00 0.00 175.10 173.89 2x42 s GLN 620 N 1.08 0.90 0.28 2.72 0.74 -0.35 -0.64 119.66 124.39 2x42 s GLN 620 Ca -0.00 -0.78 -0.19 0.00 0.05 0.00 0.00 55.36 54.43 2x42 s GLN 620 Cb -0.14 -0.91 0.06 0.00 1.10 0.00 0.00 33.01 33.12 2x42 s GLN 620 CO -0.06 0.22 0.89 1.52 -0.55 0.00 0.00 175.29 177.31 2x42 s TYR 621 N -0.92 0.05 -0.01 1.67 1.13 -0.76 0.05 117.35 118.56 2x42 s TYR 621 Ca 0.01 -0.57 0.06 0.00 -1.41 0.00 0.00 57.07 55.16 2x42 s TYR 621 Cb -0.08 0.76 -0.02 0.00 -1.10 0.00 0.00 41.96 41.52 2x42 s TYR 621 CO 0.01 -1.24 -0.20 0.50 -2.51 0.00 0.00 175.55 172.11 2x42 s ARG 622 N -2.51 1.60 -0.12 -3.49 3.52 0.21 -0.31 118.95 117.85 2x42 s ARG 622 Ca 0.17 -0.75 0.03 0.00 -0.13 0.00 0.00 55.73 55.05 2x42 s ARG 622 Cb -0.04 -1.57 0.01 0.00 -1.56 0.00 0.00 34.95 31.79 2x42 s ARG 622 CO 0.08 0.43 -0.21 0.42 -0.81 0.00 0.00 175.30 175.20 2x42 s ILE 623 N -0.52 1.93 -0.04 4.11 1.01 -0.55 -0.32 121.20 126.83 2x42 s ILE 623 Ca 0.08 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 59.87 2x42 s ILE 623 Cb -0.08 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 2x42 s ILE 623 CO -0.00 0.53 -0.22 -0.70 0.00 0.00 0.00 174.94 174.55 2x42 s GLU 624 N 0.68 2.34 -0.62 2.79 2.12 -0.40 -0.38 118.70 125.23 2x42 s GLU 624 Ca -0.11 -0.84 -0.28 0.00 0.36 0.00 0.00 54.97 54.10 2x42 s GLU 624 Cb -0.16 -2.19 0.02 0.00 0.26 0.00 0.00 34.13 32.06 2x42 s GLU 624 CO 0.02 0.55 1.31 1.21 -0.54 0.00 0.00 175.26 177.81 2x42 s ASN 625 N -0.56 6.22 0.00 -1.70 3.84 0.83 -0.90 114.94 122.67 2x42 s ASN 625 Ca 0.08 0.02 0.20 0.00 0.21 0.00 0.00 52.86 53.37 2x42 s ASN 625 Cb -0.11 -2.55 0.55 0.00 -0.55 0.00 0.00 41.25 38.59 2x42 s ASN 625 CO 0.00 -1.69 1.46 0.35 -2.79 0.00 0.00 177.10 174.44 2x42 n THR 626 N 6.67 0.78 -2.39 -5.21 -2.24 -0.33 0.30 114.28 111.85 2x42 n THR 626 Ca 0.09 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2x42 n THR 626 Cb 0.49 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2x42 n THR 626 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x42 n GLY 627 N 1.48 1.90 0.51 3.38 0.00 -1.17 -4.77 105.19 106.52 2x42 n GLY 627 Ca 0.21 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 44.20 2x42 n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x42 n GLY 628 N 5.00 2.70 2.95 -0.02 0.00 -1.26 -4.51 105.19 110.05 2x42 n GLY 628 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 2x42 n GLY 628 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x42 s ARG 629 N -0.99 0.53 0.68 1.61 0.52 -1.26 -4.89 118.95 115.14 2x42 s ARG 629 Ca 0.18 -0.17 -0.17 0.00 -0.52 0.00 0.00 55.73 55.05 2x42 s ARG 629 Cb 0.10 -0.53 -0.01 0.00 0.52 0.00 0.00 34.95 35.03 2x42 s ARG 629 CO 0.13 0.07 1.01 0.00 0.02 0.00 0.00 175.30 176.53 2x42 n ALA 630 N 3.21 0.07 -3.61 2.13 0.00 -1.26 -4.56 120.51 116.50 2x42 n ALA 630 Ca -0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.16 2x42 n ALA 630 Cb 0.56 -2.15 -0.01 0.00 0.00 0.00 0.00 19.45 17.85 2x42 n ALA 630 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2x42 s GLY 631 N -1.51 -0.32 0.08 0.00 0.00 -0.17 -4.77 107.32 100.64 2x42 s GLY 631 Ca 0.76 1.50 0.03 0.00 0.00 0.00 0.00 44.72 47.01 2x42 s GLY 631 CO 0.48 0.45 0.07 0.54 0.00 0.00 0.00 173.10 174.63 2x42 s LYS 632 N -2.11 2.84 -0.12 2.90 1.02 -1.26 -1.08 119.74 121.93 2x42 s LYS 632 Ca 0.13 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.44 2x42 s LYS 632 Cb 0.02 -2.70 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 2x42 s LYS 632 CO -0.04 0.57 -0.18 -2.00 -0.92 0.00 0.00 175.35 172.77 2x42 s GLU 633 N -2.35 2.57 -0.22 1.68 2.56 -1.26 -4.73 118.70 116.95 2x42 s GLU 633 Ca 0.28 -0.69 -0.20 0.00 0.00 0.00 0.00 54.97 54.36 2x42 s GLU 633 Cb -0.12 -2.10 -0.02 0.00 2.00 0.00 0.00 34.13 33.89 2x42 s GLU 633 CO 0.21 -0.01 0.62 0.08 -0.56 0.00 0.00 175.26 175.59 2x42 s VAL 634 N 0.83 5.02 0.05 3.70 1.01 -1.26 -1.67 120.40 128.08 2x42 s VAL 634 Ca -0.09 1.14 0.05 0.00 0.00 0.00 0.00 61.98 63.08 2x42 s VAL 634 Cb -0.16 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2x42 s VAL 634 CO -0.00 0.09 -0.10 -0.94 0.00 0.00 0.00 175.10 174.15 2x42 s SER 635 N 1.30 4.39 -0.05 3.32 1.04 -0.02 -4.73 113.70 118.95 2x42 s SER 635 Ca 0.27 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.45 2x42 s SER 635 Cb -0.16 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.06 2x42 s SER 635 CO 0.10 0.24 -0.15 -1.10 0.98 0.00 0.00 173.24 173.30 2x42 s GLN 636 N -1.72 1.75 -0.37 4.02 -0.21 -0.32 -1.25 119.66 121.56 2x42 s GLN 636 Ca 0.18 -0.53 -0.08 0.00 0.02 0.00 0.00 55.36 54.95 2x42 s GLN 636 Cb -0.11 -1.48 0.05 0.00 1.00 0.00 0.00 33.01 32.47 2x42 s GLN 636 CO 0.10 0.16 0.17 0.08 -2.12 0.00 0.00 175.29 173.67 2x42 s VAL 637 N 0.27 4.01 -0.12 1.09 1.01 -0.04 -0.07 120.40 126.55 2x42 s VAL 637 Ca -0.08 -1.20 -0.09 0.00 0.00 0.00 0.00 61.98 60.61 2x42 s VAL 637 Cb -0.13 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2x42 s VAL 637 CO 0.03 -0.30 0.18 -0.31 0.00 0.00 0.00 175.10 174.71 2x42 s TYR 638 N 1.42 3.57 -0.17 5.22 1.51 0.37 -1.12 117.35 128.14 2x42 s TYR 638 Ca 0.01 0.55 -0.06 0.00 -1.01 0.00 0.00 57.07 56.56 2x42 s TYR 638 Cb -0.20 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 2x42 s TYR 638 CO 0.03 0.60 0.02 0.42 -1.11 0.00 0.00 175.55 175.51 2x42 s ILE 639 N -0.65 4.39 -0.39 2.71 -1.09 -0.38 0.10 121.20 125.89 2x42 s ILE 639 Ca 0.15 -0.18 -0.12 0.00 -2.23 0.00 0.00 60.65 58.28 2x42 s ILE 639 Cb -0.12 -2.96 0.04 0.00 -1.58 0.00 0.00 42.46 37.83 2x42 s ILE 639 CO 0.04 0.48 0.24 -0.75 -1.23 0.00 0.00 174.94 173.71 2x42 s LYS 640 N 0.37 2.82 0.48 2.79 2.20 0.25 -1.33 119.74 127.32 2x42 s LYS 640 Ca -0.00 -1.14 -0.19 0.00 -0.36 0.00 0.00 55.97 54.28 2x42 s LYS 640 Cb -0.13 -3.80 -0.09 0.00 -1.51 0.00 0.00 37.83 32.30 2x42 s LYS 640 CO 0.01 -0.77 0.98 0.00 -0.36 0.00 0.00 175.35 175.22 2x42 s ALA 641 N 1.56 3.02 0.82 3.13 0.00 -1.26 -1.21 121.76 127.81 2x42 s ALA 641 Ca 0.03 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.21 2x42 s ALA 641 Cb -0.20 -3.15 0.09 0.00 0.00 0.00 0.00 23.12 19.86 2x42 s ALA 641 CO 0.07 -0.12 1.12 -1.25 0.00 0.00 0.00 175.76 175.57 2x42 s PRO 642 N -3.61 1.81 0.10 0.00 0.04 -1.25 -4.95 135.00 127.15 2x42 s PRO 642 Ca 0.61 1.34 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 2x42 s PRO 642 Cb -0.10 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2x42 s PRO 642 CO 0.23 -2.00 1.58 0.87 0.04 0.00 0.00 177.00 177.71 2x42 h LYS 643 N -1.33 0.49 0.00 4.56 1.79 -1.92 -3.46 116.57 116.71 2x42 h LYS 643 Ca -0.44 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 2x42 h LYS 643 Cb 1.25 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2x42 h LYS 643 CO 0.48 0.59 0.00 0.41 -1.08 0.00 0.00 179.45 179.85 2x42 n GLY 644 N -0.47 3.07 0.13 3.86 0.00 -1.26 -3.54 105.19 106.98 2x42 n GLY 644 Ca -0.02 0.26 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 2x42 n GLY 644 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x42 n LYS 645 N 13.59 0.63 -4.33 1.61 5.02 -1.26 -5.01 118.16 128.41 2x42 n LYS 645 Ca 0.00 0.31 -0.26 0.00 -2.02 0.00 0.00 58.31 56.35 2x42 n LYS 645 Cb 0.00 -1.60 -0.09 0.00 -0.02 0.00 0.00 35.03 33.32 2x42 n LYS 645 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2x42 s ILE 646 N -2.48 3.05 0.37 -0.18 2.07 -1.23 -5.10 121.20 117.70 2x42 s ILE 646 Ca -0.33 -1.83 -0.28 0.00 -1.41 0.00 0.00 60.65 56.80 2x42 s ILE 646 Cb 0.10 -2.54 -0.10 0.00 0.13 0.00 0.00 42.46 40.05 2x42 s ILE 646 CO 0.59 -0.19 1.36 1.51 -1.91 0.00 0.00 174.94 176.30 2x42 s ASP 647 N -3.03 6.50 0.04 4.50 -4.77 -1.26 -4.90 116.67 113.75 2x42 s ASP 647 Ca 0.26 2.80 -0.07 0.00 -3.30 0.00 0.00 52.55 52.24 2x42 s ASP 647 Cb -0.08 -2.65 -0.01 0.00 -1.09 0.00 0.00 42.92 39.09 2x42 s ASP 647 CO 0.15 -0.74 0.12 -0.54 0.70 0.00 0.00 175.17 174.87 2x42 s LYS 648 N -2.02 0.63 0.89 2.11 1.02 -1.26 -5.08 119.74 116.03 2x42 s LYS 648 Ca 0.52 -0.74 -0.10 0.00 0.02 0.00 0.00 55.97 55.68 2x42 s LYS 648 Cb -0.41 0.25 0.13 0.00 -0.52 0.00 0.00 37.83 37.28 2x42 s LYS 648 CO 0.55 -0.17 1.13 -2.14 -0.92 0.00 0.00 175.35 173.81 2x42 s PRO 649 N -2.68 1.20 0.22 -1.68 0.02 -1.26 -4.90 135.00 125.92 2x42 s PRO 649 Ca -0.04 1.46 -0.10 0.00 0.02 0.00 0.00 61.00 62.33 2x42 s PRO 649 Cb -0.01 -1.75 0.32 0.00 0.02 0.00 0.00 34.50 33.07 2x42 s PRO 649 CO -0.05 -2.48 1.66 0.35 -0.33 0.00 0.00 177.00 176.15 2x42 h PHE 650 N -1.76 -0.04 -3.41 6.54 3.57 -1.89 -3.44 116.94 116.51 2x42 h PHE 650 Ca -0.44 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.07 2x42 h PHE 650 Cb 1.26 0.12 -0.11 0.00 2.79 0.00 0.00 35.95 40.02 2x42 h PHE 650 CO 0.51 -0.17 -0.04 1.14 -2.23 0.00 0.00 178.31 177.52 2x42 s GLN 651 N -6.15 1.33 -0.02 1.11 -2.07 -1.26 -4.55 119.66 108.05 2x42 s GLN 651 Ca -0.13 -0.92 -0.01 0.00 -1.82 0.00 0.00 55.36 52.48 2x42 s GLN 651 Cb 0.19 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.63 2x42 s GLN 651 CO 0.74 -0.55 0.04 -1.21 -1.32 0.00 0.00 175.29 172.99 2x42 s GLU 652 N -3.89 -0.00 0.13 9.60 2.02 -0.44 -4.83 118.70 121.28 2x42 s GLU 652 Ca 0.10 0.17 -0.31 0.00 0.02 0.00 0.00 54.97 54.95 2x42 s GLU 652 Cb -0.00 -0.16 -0.10 0.00 0.10 0.00 0.00 34.13 33.97 2x42 s GLU 652 CO -0.03 -0.12 1.74 -1.17 0.02 0.00 0.00 175.26 175.71 2x42 s LEU 653 N 0.77 4.38 0.00 1.80 2.96 -1.26 -1.25 118.68 126.08 2x42 s LEU 653 Ca -0.06 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 2x42 s LEU 653 Cb -0.09 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.03 2x42 s LEU 653 CO -0.02 -0.95 0.00 0.29 -1.32 0.00 0.00 176.35 174.35 2x42 n LYS 654 N 5.24 0.63 -3.82 1.98 4.76 -0.28 -4.80 118.16 121.87 2x42 n LYS 654 Ca 0.17 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.51 2x42 n LYS 654 Cb 0.38 -0.98 -0.05 0.00 -1.84 0.00 0.00 35.03 32.54 2x42 n LYS 654 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x42 s ALA 655 N -1.93 -0.58 0.20 7.82 0.00 -1.12 -4.99 121.76 121.16 2x42 s ALA 655 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 51.96 51.28 2x42 s ALA 655 Cb 0.00 0.84 0.05 0.00 0.00 0.00 0.00 23.12 24.00 2x42 s ALA 655 CO 0.00 -0.73 0.61 -0.59 0.00 0.00 0.00 175.76 175.05 2x42 s PHE 656 N -3.90 -0.34 0.10 0.00 -0.71 -1.26 -0.86 117.98 111.00 2x42 s PHE 656 Ca 0.12 0.02 -0.19 0.00 -1.04 0.00 0.00 56.93 55.84 2x42 s PHE 656 Cb 0.01 0.56 0.04 0.00 -1.21 0.00 0.00 43.02 42.42 2x42 s PHE 656 CO -0.02 -0.97 0.46 -1.58 -1.34 0.00 0.00 175.22 171.76 2x42 s HIS 657 N -3.83 -0.31 -0.04 3.49 2.46 -0.38 -5.00 115.29 111.68 2x42 s HIS 657 Ca 0.06 0.14 -0.00 0.00 0.47 0.00 0.00 55.06 55.72 2x42 s HIS 657 Cb -0.02 0.32 0.03 0.00 -0.13 0.00 0.00 32.58 32.77 2x42 s HIS 657 CO -0.05 -0.69 0.00 0.21 -2.47 0.00 0.00 174.74 171.74 2x42 s LYS 658 N -3.29 0.40 0.93 2.88 2.20 -1.26 -0.84 119.74 120.76 2x42 s LYS 658 Ca -0.00 0.11 -0.11 0.00 -0.36 0.00 0.00 55.97 55.60 2x42 s LYS 658 Cb 0.00 -0.67 0.15 0.00 -1.51 0.00 0.00 37.83 35.80 2x42 s LYS 658 CO -0.08 -0.21 1.10 0.95 -0.36 0.00 0.00 175.35 176.75 2x42 s THR 659 N 1.45 2.48 1.23 3.43 -4.23 -0.67 -4.95 115.64 114.37 2x42 s THR 659 Ca -0.04 0.16 -0.19 0.00 -1.18 0.00 0.00 61.69 60.44 2x42 s THR 659 Cb -0.13 -2.42 0.29 0.00 1.34 0.00 0.00 72.50 71.58 2x42 s THR 659 CO -0.03 -0.20 1.06 0.00 -0.54 0.00 0.00 174.62 174.91 2x42 s ARG 660 N -4.76 -1.40 -0.54 3.99 1.70 -1.26 -4.53 118.95 112.15 2x42 s ARG 660 Ca 0.65 0.09 -0.27 0.00 -0.47 0.00 0.00 55.73 55.73 2x42 s ARG 660 Cb -0.21 -1.56 -0.01 0.00 -0.57 0.00 0.00 34.95 32.60 2x42 s ARG 660 CO 0.58 -3.86 1.77 -1.17 -1.08 0.00 0.00 175.30 171.54 2x42 s LEU 661 N -7.10 3.35 -0.03 -1.89 2.96 -1.26 -4.45 118.68 110.27 2x42 s LEU 661 Ca 0.70 0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 54.93 2x42 s LEU 661 Cb -0.12 -2.83 -0.05 0.00 0.50 0.00 0.00 46.19 43.69 2x42 s LEU 661 CO 0.57 -2.12 0.61 -0.76 -1.32 0.00 0.00 176.35 173.34 2x42 s LEU 662 N 8.08 4.38 0.61 -0.68 1.43 -0.24 -4.79 118.68 127.46 2x42 s LEU 662 Ca 0.67 1.14 -0.13 0.00 -1.03 0.00 0.00 54.13 54.78 2x42 s LEU 662 Cb -0.14 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 2x42 s LEU 662 CO 0.24 0.03 1.03 0.20 0.23 0.00 0.00 176.35 178.08 2x42 s ASN 663 N 0.16 6.05 -0.14 2.29 0.01 -1.26 -1.00 114.94 121.05 2x42 s ASN 663 Ca 0.32 1.58 -0.40 0.00 -0.71 0.00 0.00 52.86 53.65 2x42 s ASN 663 Cb -0.18 -2.50 -0.17 0.00 0.41 0.00 0.00 41.25 38.81 2x42 s ASN 663 CO 0.17 -0.99 1.48 -2.65 -1.51 0.00 0.00 177.10 173.60 2x42 n PRO 664 N -2.41 0.81 0.00 -0.60 -0.02 -1.26 -0.51 135.00 131.01 2x42 n PRO 664 Ca 0.07 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2x42 n PRO 664 Cb 0.54 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 2x42 n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x42 n GLY 665 N 3.15 2.73 3.79 -1.23 0.00 0.15 -5.02 105.19 108.76 2x42 n GLY 665 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2x42 n GLY 665 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x42 s GLU 666 N -0.48 3.66 0.18 1.61 2.02 0.33 -4.77 118.70 121.25 2x42 s GLU 666 Ca 0.00 1.44 0.01 0.00 0.02 0.00 0.00 54.97 56.44 2x42 s GLU 666 Cb 0.00 -2.07 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 2x42 s GLU 666 CO 0.00 -0.56 0.02 -1.54 0.02 0.00 0.00 175.26 173.20 2x42 s SER 667 N -1.92 1.13 -0.01 -0.19 1.04 -1.26 -0.12 113.70 112.37 2x42 s SER 667 Ca 0.69 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2x42 s SER 667 Cb -0.19 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2x42 s SER 667 CO 0.22 -0.60 -0.01 -0.70 0.98 0.00 0.00 173.24 173.13 2x42 s GLU 668 N -3.94 0.12 -0.20 4.02 2.12 0.49 -4.97 118.70 116.34 2x42 s GLU 668 Ca 0.26 -0.02 -0.19 0.00 0.36 0.00 0.00 54.97 55.37 2x42 s GLU 668 Cb 0.06 -0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.26 2x42 s GLU 668 CO 0.05 -0.00 0.56 -2.00 -0.54 0.00 0.00 175.26 173.33 2x42 s GLU 669 N 0.16 4.20 -0.18 4.30 2.12 -1.26 -1.47 118.70 126.56 2x42 s GLU 669 Ca -0.01 0.50 -0.10 0.00 0.36 0.00 0.00 54.97 55.72 2x42 s GLU 669 Cb -0.03 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 2x42 s GLU 669 CO -0.00 -0.19 0.14 0.08 -0.54 0.00 0.00 175.26 174.75 2x42 s VAL 670 N 1.75 5.42 -0.16 3.70 1.01 0.58 -4.98 120.40 127.73 2x42 s VAL 670 Ca 0.26 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 2x42 s VAL 670 Cb -0.16 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.81 2x42 s VAL 670 CO 0.10 0.48 -0.01 -0.69 0.00 0.00 0.00 175.10 174.98 2x42 s VAL 671 N 0.03 0.74 0.02 2.92 1.01 -1.26 -1.82 120.40 122.04 2x42 s VAL 671 Ca 0.10 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.72 2x42 s VAL 671 Cb -0.11 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2x42 s VAL 671 CO -0.00 0.03 -0.24 -0.76 0.00 0.00 0.00 175.10 174.13 2x42 s LEU 672 N 1.79 2.12 -0.00 3.92 1.43 0.18 -5.00 118.68 123.12 2x42 s LEU 672 Ca 0.01 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.67 2x42 s LEU 672 Cb -0.15 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 2x42 s LEU 672 CO -0.07 0.24 -0.23 -1.61 0.23 0.00 0.00 176.35 174.91 2x42 s GLU 673 N -0.96 1.79 -0.13 1.70 2.02 -1.26 -0.74 118.70 121.12 2x42 s GLU 673 Ca 0.10 -0.87 -0.00 0.00 0.02 0.00 0.00 54.97 54.21 2x42 s GLU 673 Cb -0.09 -1.78 0.03 0.00 0.10 0.00 0.00 34.13 32.38 2x42 s GLU 673 CO 0.01 0.48 -0.07 0.42 0.02 0.00 0.00 175.26 176.12 2x42 s ILE 674 N -0.60 1.07 0.42 -1.63 1.01 0.20 -4.98 121.20 116.69 2x42 s ILE 674 Ca 0.09 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 60.10 2x42 s ILE 674 Cb -0.09 -1.12 -0.09 0.00 0.01 0.00 0.00 42.46 41.18 2x42 s ILE 674 CO -0.00 0.32 1.38 -2.84 0.00 0.00 0.00 174.94 173.79 2x42 s PRO 675 N 1.68 3.87 0.36 2.79 0.02 -1.26 -0.33 135.00 142.14 2x42 s PRO 675 Ca 0.04 2.32 0.09 0.00 0.02 0.00 0.00 61.00 63.46 2x42 s PRO 675 Cb -0.13 -2.75 0.81 0.00 0.02 0.00 0.00 34.50 32.45 2x42 s PRO 675 CO -0.08 -0.63 1.90 -0.24 -0.33 0.00 0.00 177.00 177.62 2x42 h VAL 676 N 2.47 0.88 -0.71 3.83 3.04 -1.72 -1.33 116.25 122.71 2x42 h VAL 676 Ca -0.50 -0.24 0.15 0.00 -1.01 0.00 0.00 66.70 65.10 2x42 h VAL 676 Cb 1.25 0.13 -0.04 0.00 -2.01 0.00 0.00 31.29 30.62 2x42 h VAL 676 CO 0.62 0.13 0.48 -0.09 -1.01 0.00 0.00 177.57 177.70 2x42 h ARG 677 N 0.69 0.32 0.00 4.17 2.43 -1.90 -0.28 114.38 119.81 2x42 h ARG 677 Ca 0.41 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2x42 h ARG 677 Cb 0.60 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2x42 h ARG 677 CO -0.17 0.21 0.00 -0.44 -1.51 0.00 0.00 179.97 178.06 2x42 h ASP 678 N 0.33 0.00 0.94 -3.80 3.45 -1.61 -2.51 116.42 113.22 2x42 h ASP 678 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 2x42 h ASP 678 Cb 0.89 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.66 2x42 h ASP 678 CO -0.09 0.00 -0.02 0.18 -1.57 0.00 0.00 179.24 177.74 2x42 n LEU 679 N -2.81 0.02 -4.78 1.55 4.77 -0.12 -4.93 117.00 110.71 2x42 n LEU 679 Ca -0.00 0.46 -0.33 0.00 -0.03 0.00 0.00 56.01 56.11 2x42 n LEU 679 Cb 0.20 -0.47 0.05 0.00 -2.33 0.00 0.00 43.42 40.87 2x42 n LEU 679 CO 0.22 0.01 0.73 0.00 -1.33 0.00 0.00 177.39 177.01 2x42 s ALA 680 N -2.95 2.47 0.16 -1.18 0.00 -0.95 -4.82 121.76 114.48 2x42 s ALA 680 Ca 0.15 0.46 0.09 0.00 0.00 0.00 0.00 51.96 52.67 2x42 s ALA 680 Cb 0.19 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2x42 s ALA 680 CO 0.53 -1.32 -0.15 -1.12 0.00 0.00 0.00 175.76 173.70 2x42 s SER 681 N -2.81 3.98 -0.24 0.00 0.01 -0.65 -4.86 113.70 109.13 2x42 s SER 681 Ca 0.65 -0.62 -0.15 0.00 1.31 0.00 0.00 55.95 57.15 2x42 s SER 681 Cb -0.19 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 2x42 s SER 681 CO 0.44 0.14 0.35 0.12 0.41 0.00 0.00 173.24 174.70 2x42 s PHE 682 N -1.49 3.30 -2.07 2.43 2.19 -1.26 -0.51 117.98 120.57 2x42 s PHE 682 Ca 0.22 0.46 0.17 0.00 0.33 0.00 0.00 56.93 58.10 2x42 s PHE 682 Cb -0.09 -2.51 0.49 0.00 -1.31 0.00 0.00 43.02 39.59 2x42 s PHE 682 CO 0.12 -0.11 1.40 0.27 1.83 0.00 0.00 175.22 178.74 2x42 n ASN 683 N 4.87 2.73 0.00 6.13 0.23 -0.71 -4.85 115.26 123.65 2x42 n ASN 683 Ca -0.09 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 2x42 n ASN 683 Cb 0.51 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 2x42 n ASN 683 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x42 n GLY 684 N 1.32 2.27 0.81 4.83 0.00 -1.26 -4.80 105.19 108.37 2x42 n GLY 684 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 2x42 n GLY 684 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2x42 n GLU 685 N -0.49 0.09 -3.98 1.61 -0.58 -1.26 -4.94 120.64 111.09 2x42 n GLU 685 Ca 0.00 0.04 -0.08 0.00 -0.42 0.00 0.00 57.16 56.69 2x42 n GLU 685 Cb 0.00 -0.68 -0.08 0.00 -0.57 0.00 0.00 31.44 30.11 2x42 n GLU 685 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2x42 s GLU 686 N -2.07 0.83 0.15 3.49 -1.05 -1.26 -4.52 118.70 114.27 2x42 s GLU 686 Ca -0.06 -1.13 -0.30 0.00 -0.15 0.00 0.00 54.97 53.34 2x42 s GLU 686 Cb 0.02 0.30 -0.07 0.00 -0.44 0.00 0.00 34.13 33.94 2x42 s GLU 686 CO 0.07 -0.24 1.09 -1.58 0.95 0.00 0.00 175.26 175.55 2x42 s TRP 687 N -3.92 3.60 -0.07 4.83 0.52 0.01 -1.74 118.94 122.17 2x42 s TRP 687 Ca 0.10 1.59 0.00 0.00 0.02 0.00 0.00 56.10 57.81 2x42 s TRP 687 Cb 0.06 -3.26 0.02 0.00 -1.15 0.00 0.00 33.47 29.14 2x42 s TRP 687 CO -0.08 -0.58 -0.04 0.08 0.02 0.00 0.00 176.95 176.35 2x42 s VAL 688 N -0.02 0.65 -0.53 4.03 1.01 0.33 -0.68 120.40 125.19 2x42 s VAL 688 Ca 0.50 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.21 2x42 s VAL 688 Cb -0.28 -0.71 0.12 0.00 0.00 0.00 0.00 36.38 35.51 2x42 s VAL 688 CO 0.33 0.28 0.49 -0.69 0.00 0.00 0.00 175.10 175.52 2x42 s VAL 689 N 1.41 5.20 0.44 2.92 1.01 0.63 -1.64 120.40 130.37 2x42 s VAL 689 Ca -0.03 -1.41 -0.23 0.00 0.00 0.00 0.00 61.98 60.31 2x42 s VAL 689 Cb -0.13 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.85 2x42 s VAL 689 CO -0.03 -0.84 1.13 -1.61 0.00 0.00 0.00 175.10 173.75 2x42 s GLU 690 N 1.66 3.87 0.64 2.72 2.02 -1.26 -1.64 118.70 126.71 2x42 s GLU 690 Ca 0.04 1.69 -0.16 0.00 0.02 0.00 0.00 54.97 56.56 2x42 s GLU 690 Cb -0.29 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.50 2x42 s GLU 690 CO 0.04 -0.44 1.12 0.00 0.02 0.00 0.00 175.26 176.00 2x42 s ALA 691 N -1.59 2.48 0.00 5.21 0.00 -1.26 -4.79 121.76 121.81 2x42 s ALA 691 Ca 0.62 0.64 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2x42 s ALA 691 Cb -0.26 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2x42 s ALA 691 CO 0.32 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.25 2x42 n GLY 692 N -0.29 0.93 3.66 0.00 0.00 0.26 -4.93 105.19 104.81 2x42 n GLY 692 Ca 0.11 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 2x42 n GLY 692 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x42 s GLU 693 N -1.19 4.19 0.11 1.61 2.12 -1.26 -1.06 118.70 123.21 2x42 s GLU 693 Ca 0.00 0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.77 2x42 s GLU 693 Cb 0.00 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 2x42 s GLU 693 CO 0.00 -0.14 0.15 0.71 -0.54 0.00 0.00 175.26 175.44 2x42 s TYR 694 N 1.62 3.29 -0.13 5.30 1.51 0.04 -3.91 117.35 125.06 2x42 s TYR 694 Ca 0.24 0.09 -0.02 0.00 -1.01 0.00 0.00 57.07 56.37 2x42 s TYR 694 Cb -0.15 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 2x42 s TYR 694 CO 0.10 0.53 -0.06 -2.00 -1.11 0.00 0.00 175.55 173.01 2x42 s GLU 695 N -2.73 3.45 -0.21 -0.62 2.12 -0.35 -2.23 118.70 118.14 2x42 s GLU 695 Ca 0.32 -0.56 -0.15 0.00 0.36 0.00 0.00 54.97 54.94 2x42 s GLU 695 Cb -0.12 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.43 2x42 s GLU 695 CO 0.25 0.32 0.37 0.08 -0.54 0.00 0.00 175.26 175.73 2x42 s VAL 696 N 0.14 5.21 -0.30 3.70 1.01 0.16 -0.59 120.40 129.73 2x42 s VAL 696 Ca -0.03 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.63 2x42 s VAL 696 Cb -0.14 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 32.62 2x42 s VAL 696 CO 0.03 0.26 0.01 -0.13 0.00 0.00 0.00 175.10 175.27 2x42 s ARG 697 N 1.32 1.51 -0.39 2.72 0.52 0.11 -1.48 118.95 123.26 2x42 s ARG 697 Ca 0.18 -1.51 -0.19 0.00 -0.52 0.00 0.00 55.73 53.69 2x42 s ARG 697 Cb -0.15 -2.85 0.01 0.00 0.52 0.00 0.00 34.95 32.48 2x42 s ARG 697 CO 0.08 -0.83 0.57 0.08 0.02 0.00 0.00 175.30 175.22 2x42 s VAL 698 N 1.14 4.94 0.26 3.52 1.01 0.19 -0.48 120.40 130.97 2x42 s VAL 698 Ca 0.04 0.21 0.12 0.00 0.00 0.00 0.00 61.98 62.35 2x42 s VAL 698 Cb -0.19 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 2x42 s VAL 698 CO -0.10 -0.39 -0.19 -0.83 0.00 0.00 0.00 175.10 173.58 2x42 s GLY 699 N 1.86 1.83 0.00 4.51 0.00 0.91 0.71 107.32 117.14 2x42 s GLY 699 Ca 0.20 -1.81 0.26 0.00 0.00 0.00 0.00 44.72 43.38 2x42 s GLY 699 CO 0.16 -1.88 1.54 0.00 0.00 0.00 0.00 173.10 172.92 2x42 n ALA 700 N -0.44 3.15 -3.80 3.20 0.00 0.26 -1.18 120.51 121.70 2x42 n ALA 700 Ca -0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 53.44 52.94 2x42 n ALA 700 Cb 0.59 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2x42 n ALA 700 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2x42 s SER 701 N -2.58 -0.09 0.00 0.00 1.04 -1.24 -4.57 113.70 106.26 2x42 s SER 701 Ca 0.22 -0.53 0.10 0.00 0.48 0.00 0.00 55.95 56.22 2x42 s SER 701 Cb 0.19 0.50 0.43 0.00 0.10 0.00 0.00 66.02 67.23 2x42 s SER 701 CO 0.55 -0.95 1.31 -1.54 0.98 0.00 0.00 173.24 173.58 2x42 n SER 702 N -0.80 0.00 0.00 7.02 3.41 -0.82 -2.54 113.62 119.90 2x42 n SER 702 Ca -0.05 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 2x42 n SER 702 Cb 0.60 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2x42 n SER 702 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2x42 n ARG 703 N -1.48 0.39 -3.65 4.33 1.74 -1.26 -4.81 116.66 111.91 2x42 n ARG 703 Ca 0.03 -0.69 -0.28 0.00 -0.77 0.00 0.00 57.85 56.14 2x42 n ARG 703 Cb 0.11 -0.86 -0.10 0.00 -1.02 0.00 0.00 32.46 30.59 2x42 n ARG 703 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2x42 n ASN 704 N -0.14 3.45 -4.69 0.55 2.85 -1.05 -5.07 115.26 111.15 2x42 n ASN 704 Ca 0.00 -3.34 -0.42 0.00 -0.11 0.00 0.00 54.58 50.71 2x42 n ASN 704 Cb 0.17 -0.72 -0.03 0.00 1.24 0.00 0.00 39.78 40.44 2x42 n ASN 704 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2x42 s ILE 705 N -2.00 4.83 -0.18 -1.44 -1.09 -1.26 -0.58 121.20 119.48 2x42 s ILE 705 Ca 0.33 1.98 0.17 0.00 -2.23 0.00 0.00 60.65 60.89 2x42 s ILE 705 Cb 0.06 -4.28 -0.24 0.00 -1.58 0.00 0.00 42.46 36.41 2x42 s ILE 705 CO -0.09 0.06 0.09 0.29 -1.23 0.00 0.00 174.94 174.06 2x42 n LYS 706 N 4.70 0.89 -3.85 2.79 4.76 0.22 -4.94 118.16 122.73 2x42 n LYS 706 Ca 0.07 -0.02 -0.12 0.00 -2.87 0.00 0.00 58.31 55.37 2x42 n LYS 706 Cb 0.49 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 32.07 2x42 n LYS 706 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x42 s LEU 707 N -5.34 1.71 0.00 -0.35 1.43 -0.89 -4.96 118.68 110.28 2x42 s LEU 707 Ca -0.09 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 2x42 s LEU 707 Cb 0.06 0.27 -0.01 0.00 0.03 0.00 0.00 46.19 46.53 2x42 s LEU 707 CO 0.78 -0.03 -0.13 -0.54 0.23 0.00 0.00 176.35 176.66 2x42 s LYS 708 N 0.02 1.02 0.27 1.70 1.02 -1.26 -0.64 119.74 121.86 2x42 s LYS 708 Ca -0.00 -0.55 -0.11 0.00 0.02 0.00 0.00 55.97 55.33 2x42 s LYS 708 Cb -0.01 -0.99 -0.00 0.00 -0.52 0.00 0.00 37.83 36.31 2x42 s LYS 708 CO 0.00 0.27 0.49 0.20 -0.92 0.00 0.00 175.35 175.38 2x42 s GLY 709 N -0.55 0.68 0.16 -3.33 0.00 -0.55 -4.99 107.32 98.74 2x42 s GLY 709 Ca 0.04 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.83 2x42 s GLY 709 CO 0.00 -0.68 -0.09 -0.51 0.00 0.00 0.00 173.10 171.83 2x42 s THR 710 N -3.79 1.16 0.26 0.90 -4.23 -1.26 0.37 115.64 109.05 2x42 s THR 710 Ca 0.24 -2.06 -0.07 0.00 -1.18 0.00 0.00 61.69 58.62 2x42 s THR 710 Cb -0.01 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.88 2x42 s THR 710 CO 0.11 -0.67 0.39 0.72 -0.54 0.00 0.00 174.62 174.62 2x42 s PHE 711 N -3.33 0.79 -0.03 3.99 -0.71 -0.95 -4.93 117.98 112.81 2x42 s PHE 711 Ca 0.19 -1.07 0.03 0.00 -1.04 0.00 0.00 56.93 55.04 2x42 s PHE 711 Cb 0.03 -0.09 0.00 0.00 -1.21 0.00 0.00 43.02 41.75 2x42 s PHE 711 CO 0.02 -0.94 -0.11 0.45 -1.34 0.00 0.00 175.22 173.30 2x42 s SER 712 N -3.12 1.45 -0.22 1.98 0.15 -1.26 -0.78 113.70 111.90 2x42 s SER 712 Ca 0.29 -0.23 -0.15 0.00 0.70 0.00 0.00 55.95 56.57 2x42 s SER 712 Cb 0.01 -0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 2x42 s SER 712 CO 0.13 0.08 0.36 -0.69 1.20 0.00 0.00 173.24 174.32 2x42 s VAL 713 N 0.17 5.22 -0.07 4.45 1.01 -0.23 -4.95 120.40 126.01 2x42 s VAL 713 Ca -0.04 0.61 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 2x42 s VAL 713 Cb -0.09 -3.69 -0.26 0.00 0.00 0.00 0.00 36.38 32.34 2x42 s VAL 713 CO 0.01 0.26 0.57 1.23 0.00 0.00 0.00 175.10 177.16 2x42 h GLY 714 N 7.73 0.24 -5.71 4.51 0.00 -1.93 0.75 103.07 108.68 2x42 h GLY 714 Ca -0.36 -0.62 -0.66 0.00 0.00 0.00 0.00 47.33 45.69 2x42 h GLY 714 CO 0.70 0.54 -0.87 1.85 0.00 0.00 0.00 176.54 178.77 2x42 s GLU 715 N -2.58 2.91 0.29 4.80 2.56 -1.26 -4.84 118.70 120.59 2x42 s GLU 715 Ca -0.15 -0.82 -0.30 0.00 0.00 0.00 0.00 54.97 53.71 2x42 s GLU 715 Cb 0.07 -2.34 -0.11 0.00 2.00 0.00 0.00 34.13 33.74 2x42 s GLU 715 CO 0.81 -0.00 1.59 -2.00 -0.56 0.00 0.00 175.26 175.10 2x42 s GLU 716 N 0.79 4.12 -0.06 4.30 2.12 -1.26 -4.69 118.70 124.02 2x42 s GLU 716 Ca -0.08 2.58 0.03 0.00 0.36 0.00 0.00 54.97 57.86 2x42 s GLU 716 Cb -0.16 -3.02 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 2x42 s GLU 716 CO -0.01 -0.63 -0.14 1.03 -0.54 0.00 0.00 175.26 174.97 2x42 s ARG 717 N -0.54 2.63 0.01 4.30 0.52 -0.65 -4.98 118.95 120.24 2x42 s ARG 717 Ca 0.63 -0.69 0.05 0.00 -0.52 0.00 0.00 55.73 55.20 2x42 s ARG 717 Cb -0.48 -2.42 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 2x42 s ARG 717 CO 0.48 0.57 -0.17 1.03 0.02 0.00 0.00 175.30 177.23 2x42 s ARG 718 N -0.58 1.26 -0.07 3.54 0.52 -1.26 -0.27 118.95 122.09 2x42 s ARG 718 Ca 0.08 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 54.59 2x42 s ARG 718 Cb -0.11 -1.26 0.02 0.00 0.52 0.00 0.00 34.95 34.12 2x42 s ARG 718 CO 0.01 0.33 -0.04 -0.06 0.02 0.00 0.00 175.30 175.57 2x42 s PHE 719 N -0.57 0.90 0.02 -0.53 0.08 0.14 -5.00 117.98 113.02 2x42 s PHE 719 Ca 0.06 -0.31 -0.26 0.00 0.12 0.00 0.00 56.93 56.53 2x42 s PHE 719 Cb -0.07 -0.86 -0.05 0.00 -0.57 0.00 0.00 43.02 41.48 2x42 s PHE 719 CO 0.00 -0.32 0.81 0.21 -0.10 0.00 0.00 175.22 175.83 2x42 s LYS 720 N 1.49 4.52 0.00 0.44 2.47 -1.26 -0.81 119.74 126.60 2x42 s LYS 720 Ca -0.01 1.14 0.00 0.00 -1.56 0.00 0.00 55.97 55.53 2x42 s LYS 720 Cb -0.13 -3.40 0.00 0.00 -1.46 0.00 0.00 37.83 32.84 2x42 s LYS 720 CO -0.04 0.17 0.12 -2.30 0.16 0.00 0.00 175.35 173.46