#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x41 h LYS 3 N 0.00 0.06 0.30 5.31 6.56 -2.03 0.14 116.57 126.92 2x41 h LYS 3 Ca 0.00 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.57 2x41 h LYS 3 Cb 0.00 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 2x41 h LYS 3 CO 0.00 0.04 -0.14 0.28 -2.06 0.00 0.00 179.45 177.56 2x41 h VAL 4 N 0.06 0.71 0.00 0.50 2.07 -1.99 -1.05 116.25 116.54 2x41 h VAL 4 Ca 0.19 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2x41 h VAL 4 Cb 0.29 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2x41 h VAL 4 CO -0.36 0.01 -0.01 0.78 0.02 0.00 0.00 177.57 178.01 2x41 h ASN 5 N -0.43 0.00 0.43 0.57 2.35 -1.94 0.11 115.58 116.67 2x41 h ASN 5 Ca -0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2x41 h ASN 5 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2x41 h ASN 5 CO 0.07 0.01 -0.20 -0.08 -1.65 0.00 0.00 177.43 175.57 2x41 h GLU 6 N 0.00 -0.55 -0.22 0.81 4.57 -0.14 -2.41 114.58 116.63 2x41 h GLU 6 Ca -0.00 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.26 2x41 h GLU 6 Cb 0.03 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 2x41 h GLU 6 CO 0.00 -0.29 -0.04 0.82 -1.18 0.00 0.00 179.01 178.31 2x41 h ILE 7 N -1.08 0.79 -0.94 2.32 2.04 -0.93 -2.70 117.51 117.00 2x41 h ILE 7 Ca -0.06 -0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.87 2x41 h ILE 7 Cb 0.51 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 2x41 h ILE 7 CO 0.10 0.00 0.61 0.25 0.00 0.00 0.00 178.15 179.11 2x41 h LEU 8 N 0.01 0.93 -0.92 1.44 5.85 -0.88 0.51 115.31 122.26 2x41 h LEU 8 Ca 0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2x41 h LEU 8 Cb 0.16 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2x41 h LEU 8 CO -0.22 0.58 0.00 0.77 -0.34 0.00 0.00 178.44 179.23 2x41 h SER 9 N 1.05 0.00 0.43 1.25 4.64 -1.11 -2.92 113.55 116.90 2x41 h SER 9 Ca 0.41 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.72 2x41 h SER 9 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2x41 h SER 9 CO -0.17 0.00 -1.58 0.00 -0.87 0.00 0.00 176.83 174.22 2x41 n GLN 10 N -2.56 0.64 -2.30 4.77 6.02 0.10 -4.95 117.38 119.10 2x41 n GLN 10 Ca 0.02 -0.05 -0.40 0.00 -0.01 0.00 0.00 57.00 56.56 2x41 n GLN 10 Cb 0.27 -1.66 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 2x41 n GLN 10 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2x41 s LEU 11 N -4.93 4.45 0.69 1.08 1.43 -0.77 -5.04 118.68 115.60 2x41 s LEU 11 Ca -0.05 2.45 -0.09 0.00 -1.03 0.00 0.00 54.13 55.42 2x41 s LEU 11 Cb 0.12 -3.69 0.04 0.00 0.03 0.00 0.00 46.19 42.68 2x41 s LEU 11 CO 0.86 -0.38 1.03 0.42 0.23 0.00 0.00 176.35 178.51 2x41 s THR 12 N -1.19 2.92 0.16 5.49 -4.23 -1.26 -4.91 115.64 112.61 2x41 s THR 12 Ca 0.48 0.05 -0.16 0.00 -1.18 0.00 0.00 61.69 60.88 2x41 s THR 12 Cb -0.35 -3.25 0.04 0.00 1.34 0.00 0.00 72.50 70.28 2x41 s THR 12 CO 0.46 -0.29 1.73 0.25 -0.54 0.00 0.00 174.62 176.23 2x41 h LEU 13 N -0.58 0.03 -0.44 4.79 5.85 -1.99 -2.01 115.31 120.96 2x41 h LEU 13 Ca -0.45 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 2x41 h LEU 13 Cb 1.29 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 2x41 h LEU 13 CO 0.62 0.05 0.18 -0.08 -0.34 0.00 0.00 178.44 178.88 2x41 h GLU 14 N 0.21 0.66 -0.97 1.25 4.81 -2.00 -2.43 114.58 116.10 2x41 h GLU 14 Ca 0.17 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 2x41 h GLU 14 Cb 0.19 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 2x41 h GLU 14 CO -0.22 0.60 0.63 0.93 -0.73 0.00 0.00 179.01 180.22 2x41 h GLU 15 N 0.57 1.16 -0.84 1.92 5.08 -1.89 -0.12 114.58 120.46 2x41 h GLU 15 Ca 0.15 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2x41 h GLU 15 Cb 0.18 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2x41 h GLU 15 CO -0.01 0.76 0.46 0.87 -1.00 0.00 0.00 179.01 180.09 2x41 h LYS 16 N 1.19 1.17 -0.30 2.33 1.57 -1.03 -1.21 116.57 120.28 2x41 h LYS 16 Ca 0.40 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 2x41 h LYS 16 Cb 0.07 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2x41 h LYS 16 CO -0.14 0.86 0.02 0.28 -0.57 0.00 0.00 179.45 179.89 2x41 h VAL 17 N 1.17 1.25 -1.00 0.50 2.07 -0.89 -2.67 116.25 116.68 2x41 h VAL 17 Ca 0.29 -0.90 0.16 0.00 0.82 0.00 0.00 66.70 67.08 2x41 h VAL 17 Cb 0.03 1.25 -0.10 0.00 -1.52 0.00 0.00 31.29 30.95 2x41 h VAL 17 CO -0.05 0.29 0.62 0.11 0.02 0.00 0.00 177.57 178.57 2x41 h LYS 18 N 0.33 0.83 0.00 1.57 1.57 -0.71 -2.35 116.57 117.80 2x41 h LYS 18 Ca 0.09 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2x41 h LYS 18 Cb 0.41 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2x41 h LYS 18 CO 0.01 0.55 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.06 2x41 h LEU 19 N 0.86 0.00 -1.22 2.94 3.38 -0.88 -2.89 115.31 117.49 2x41 h LEU 19 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 2x41 h LEU 19 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2x41 h LEU 19 CO -0.33 0.32 0.00 1.33 0.09 0.00 0.00 178.44 179.84 2x41 n VAL 20 N -3.85 0.22 -4.85 1.22 0.24 -0.89 -4.74 118.33 105.68 2x41 n VAL 20 Ca -0.01 -0.38 -0.26 0.00 -2.04 0.00 0.00 64.34 61.64 2x41 n VAL 20 Cb 0.40 0.45 -0.16 0.00 -1.47 0.00 0.00 33.84 33.06 2x41 n VAL 20 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2x41 s VAL 21 N -1.78 1.46 1.08 3.34 1.01 -1.09 -0.61 120.40 123.80 2x41 s VAL 21 Ca 0.33 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 2x41 s VAL 21 Cb 0.18 -1.26 0.24 0.00 0.00 0.00 0.00 36.38 35.54 2x41 s VAL 21 CO 0.27 0.42 1.06 -0.83 0.00 0.00 0.00 175.10 176.03 2x41 s GLY 22 N 0.06 1.59 -0.03 4.51 0.00 0.58 -4.27 107.32 109.76 2x41 s GLY 22 Ca -0.05 0.05 0.14 0.00 0.00 0.00 0.00 44.72 44.87 2x41 s GLY 22 CO 0.02 0.68 1.36 3.33 0.00 0.00 0.00 173.10 178.49 2x41 n VAL 23 N -4.66 0.87 0.00 1.40 0.24 -0.82 -4.33 118.33 111.03 2x41 n VAL 23 Ca 0.06 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 2x41 n VAL 23 Cb 0.54 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 2x41 n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2x41 n GLY 24 N 1.14 2.31 3.64 7.63 0.00 0.38 -4.88 105.19 115.42 2x41 n GLY 24 Ca 0.17 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 2x41 n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x41 s LEU 25 N 0.00 4.05 0.28 0.99 2.96 -1.26 -4.65 118.68 121.05 2x41 s LEU 25 Ca 0.00 2.11 -0.29 0.00 -0.22 0.00 0.00 54.13 55.73 2x41 s LEU 25 Cb 0.00 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.06 2x41 s LEU 25 CO 0.00 -1.28 1.41 -2.84 -1.32 0.00 0.00 176.35 172.32 2x41 s PRO 26 N 4.84 4.28 0.00 0.98 0.02 -1.26 -2.87 135.00 140.98 2x41 s PRO 26 Ca 0.83 2.30 0.00 0.00 0.02 0.00 0.00 61.00 64.15 2x41 s PRO 26 Cb -0.34 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.10 2x41 s PRO 26 CO 0.34 -0.36 0.00 0.41 -0.33 0.00 0.00 177.00 177.06 2x41 n GLY 27 N 1.65 0.59 3.45 0.52 0.00 0.35 -4.76 105.19 106.99 2x41 n GLY 27 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 2x41 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x41 s LEU 28 N 0.00 2.57 0.00 0.99 1.43 -1.14 -4.88 118.68 117.65 2x41 s LEU 28 Ca 0.00 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 2x41 s LEU 28 Cb 0.00 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 45.15 2x41 s LEU 28 CO 0.00 0.03 0.00 0.49 0.23 0.00 0.00 176.35 177.10 2x41 n PHE 29 N -0.50 0.00 1.10 0.29 3.72 -1.26 -0.58 117.46 120.23 2x41 n PHE 29 Ca -0.06 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.48 2x41 n PHE 29 Cb 0.60 0.01 0.65 0.00 -0.94 0.00 0.00 39.48 39.80 2x41 n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x41 n GLY 30 N 0.00 -1.42 3.77 1.37 0.00 -1.26 -4.95 105.19 102.70 2x41 n GLY 30 Ca 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2x41 n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x41 s ASN 31 N -2.88 7.08 0.64 1.61 0.01 0.26 -5.01 114.94 116.65 2x41 s ASN 31 Ca 0.18 2.13 -0.17 0.00 -0.71 0.00 0.00 52.86 54.29 2x41 s ASN 31 Cb 0.19 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 2x41 s ASN 31 CO 0.50 -0.26 1.16 -2.84 -1.51 0.00 0.00 177.10 174.14 2x41 s PRO 32 N -1.89 2.77 0.58 -0.60 0.02 -1.26 -2.70 135.00 131.91 2x41 s PRO 32 Ca 0.50 1.61 -0.20 0.00 0.02 0.00 0.00 61.00 62.93 2x41 s PRO 32 Cb -0.27 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.29 2x41 s PRO 32 CO 0.34 -1.31 1.25 -1.01 -0.33 0.00 0.00 177.00 175.94 2x41 s HIS 33 N -2.00 2.37 0.74 6.54 3.76 -1.26 -0.50 115.29 124.94 2x41 s HIS 33 Ca 0.72 1.48 -0.15 0.00 -0.15 0.00 0.00 55.06 56.96 2x41 s HIS 33 Cb -0.25 -3.58 0.04 0.00 1.11 0.00 0.00 32.58 29.90 2x41 s HIS 33 CO 0.38 -2.40 1.19 0.45 -0.85 0.00 0.00 174.74 173.51 2x41 s SER 34 N -1.39 4.20 0.66 1.40 0.15 -1.26 -4.77 113.70 112.69 2x41 s SER 34 Ca 0.75 2.31 0.43 0.00 0.70 0.00 0.00 55.95 60.14 2x41 s SER 34 Cb -0.34 -2.58 2.36 0.00 -1.71 0.00 0.00 66.02 63.76 2x41 s SER 34 CO 0.38 -2.26 2.36 0.08 1.20 0.00 0.00 173.24 175.00 2x41 h ARG 35 N -0.37 0.00 -3.74 5.44 0.11 -2.00 -2.88 114.38 110.94 2x41 h ARG 35 Ca -0.47 0.00 -0.73 0.00 0.10 0.00 0.00 59.98 58.88 2x41 h ARG 35 Cb 1.29 0.00 -0.32 0.00 1.11 0.00 0.00 29.97 32.05 2x41 h ARG 35 CO 0.50 0.00 -0.24 0.08 0.10 0.00 0.00 179.97 180.40 2x41 s VAL 36 N -4.20 4.28 -0.03 0.08 1.01 -1.26 -5.06 120.40 115.22 2x41 s VAL 36 Ca -0.05 -2.70 -0.36 0.00 0.00 0.00 0.00 61.98 58.87 2x41 s VAL 36 Cb 0.13 -3.75 -0.14 0.00 0.00 0.00 0.00 36.38 32.62 2x41 s VAL 36 CO 0.43 -0.91 1.65 0.00 0.00 0.00 0.00 175.10 176.27 2x41 n ALA 37 N 3.77 0.35 0.00 5.51 0.00 -1.09 -1.53 120.51 127.53 2x41 n ALA 37 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2x41 n ALA 37 Cb 0.41 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2x41 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x41 n GLY 38 N 3.68 0.87 3.61 0.00 0.00 -1.26 -0.95 105.19 111.13 2x41 n GLY 38 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 2x41 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x41 n ALA 39 N -1.65 -0.17 0.10 4.61 0.00 -0.58 -4.67 120.51 118.15 2x41 n ALA 39 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.25 2x41 n ALA 39 Cb 0.00 -2.11 0.03 0.00 0.00 0.00 0.00 19.45 17.37 2x41 n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x41 h ALA 40 N -0.10 0.66 -2.18 0.00 0.00 -1.44 -3.42 119.26 112.79 2x41 h ALA 40 Ca -0.48 -0.73 0.16 0.00 0.00 0.00 0.00 54.91 53.87 2x41 h ALA 40 Cb 1.34 -0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 2x41 h ALA 40 CO 0.48 0.99 0.54 0.20 0.00 0.00 0.00 179.25 181.46 2x41 s GLY 41 N -4.57 -0.37 0.03 0.00 0.00 -0.86 -4.48 107.32 97.07 2x41 s GLY 41 Ca -0.01 0.73 0.01 0.00 0.00 0.00 0.00 44.72 45.45 2x41 s GLY 41 CO 0.79 0.22 -0.05 -0.54 0.00 0.00 0.00 173.10 173.53 2x41 s GLU 42 N -3.07 0.43 0.50 2.90 2.02 -1.26 -1.20 118.70 119.01 2x41 s GLU 42 Ca 0.08 -0.72 -0.03 0.00 0.02 0.00 0.00 54.97 54.32 2x41 s GLU 42 Cb -0.01 -0.05 -0.01 0.00 0.10 0.00 0.00 34.13 34.17 2x41 s GLU 42 CO -0.04 -0.01 0.77 0.95 0.02 0.00 0.00 175.26 176.95 2x41 s THR 43 N -1.62 4.11 0.02 3.63 -4.23 -0.74 -1.95 115.64 114.86 2x41 s THR 43 Ca -0.12 -0.17 -0.30 0.00 -1.18 0.00 0.00 61.69 59.93 2x41 s THR 43 Cb -0.09 -3.57 -0.05 0.00 1.34 0.00 0.00 72.50 70.14 2x41 s THR 43 CO -0.01 -0.50 1.17 -1.00 -0.54 0.00 0.00 174.62 173.74 2x41 s HIS 44 N -2.75 3.40 0.54 3.99 0.09 -1.26 -4.25 115.29 115.05 2x41 s HIS 44 Ca 0.50 1.33 -0.17 0.00 -0.00 0.00 0.00 55.06 56.72 2x41 s HIS 44 Cb -0.10 -3.38 -0.06 0.00 -0.00 0.00 0.00 32.58 29.04 2x41 s HIS 44 CO 0.42 -1.11 1.03 -1.25 -0.00 0.00 0.00 174.74 173.83 2x41 s PRO 45 N 1.37 3.66 -0.47 8.40 0.04 -1.26 -4.67 135.00 142.07 2x41 s PRO 45 Ca 0.57 1.18 0.05 0.00 0.04 0.00 0.00 61.00 62.83 2x41 s PRO 45 Cb -0.27 -2.08 0.18 0.00 0.04 0.00 0.00 34.50 32.36 2x41 s PRO 45 CO 0.27 -0.53 0.39 0.28 0.04 0.00 0.00 177.00 177.46 2x41 n VAL 46 N -1.55 -0.55 -0.26 -0.36 0.31 0.16 -4.96 118.33 111.12 2x41 n VAL 46 Ca 0.08 -3.79 0.16 0.00 -0.01 0.00 0.00 64.34 60.78 2x41 n VAL 46 Cb 0.53 -1.79 0.44 0.00 -0.91 0.00 0.00 33.84 32.12 2x41 n VAL 46 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2x41 h PRO 47 N 5.43 0.53 -0.98 5.55 0.11 -1.92 -1.37 132.00 139.35 2x41 h PRO 47 Ca 0.23 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 66.53 2x41 h PRO 47 Cb 0.87 -0.12 -0.18 0.00 0.11 0.00 0.00 31.00 31.68 2x41 h PRO 47 CO 0.45 0.35 -0.15 0.54 -0.21 0.00 0.00 178.00 178.98 2x41 n ARG 48 N -4.56 -0.08 -0.28 1.05 1.74 -1.26 -0.75 116.66 112.51 2x41 n ARG 48 Ca 0.19 1.50 0.07 0.00 -0.77 0.00 0.00 57.85 58.84 2x41 n ARG 48 Cb 0.60 -2.29 0.19 0.00 -1.02 0.00 0.00 32.46 29.93 2x41 n ARG 48 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2x41 n VAL 49 N -5.55 1.70 -1.02 1.55 0.24 -0.88 -4.97 118.33 109.40 2x41 n VAL 49 Ca 0.18 -1.53 0.00 0.00 -2.04 0.00 0.00 64.34 60.95 2x41 n VAL 49 Cb 0.58 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 2x41 n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2x41 n GLY 50 N -0.22 0.55 3.68 7.63 0.00 0.07 -4.98 105.19 111.92 2x41 n GLY 50 Ca 0.16 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 2x41 n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x41 s LEU 51 N 0.00 4.16 0.67 0.99 1.43 -0.57 -4.95 118.68 120.41 2x41 s LEU 51 Ca 0.00 0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.45 2x41 s LEU 51 Cb 0.00 -2.35 0.07 0.00 0.03 0.00 0.00 46.19 43.94 2x41 s LEU 51 CO 0.00 0.01 0.95 -2.16 0.23 0.00 0.00 176.35 175.38 2x41 s PRO 52 N 1.02 2.13 0.09 1.29 0.05 -1.26 -0.67 135.00 137.65 2x41 s PRO 52 Ca 0.15 -0.60 -0.30 0.00 0.05 0.00 0.00 61.00 60.29 2x41 s PRO 52 Cb -0.14 -2.29 -0.05 0.00 0.05 0.00 0.00 34.50 32.07 2x41 s PRO 52 CO 0.06 -1.16 0.99 0.00 0.05 0.00 0.00 177.00 176.94 2x41 s ALA 53 N -3.10 3.25 0.09 8.56 0.00 -1.26 -4.45 121.76 124.85 2x41 s ALA 53 Ca 0.61 0.61 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 2x41 s ALA 53 Cb -0.09 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 2x41 s ALA 53 CO 0.43 -0.11 0.30 -0.06 0.00 0.00 0.00 175.76 176.32 2x41 s PHE 54 N 0.24 3.51 -0.14 0.00 0.40 -1.26 -4.88 117.98 115.85 2x41 s PHE 54 Ca 0.49 0.48 -0.03 0.00 -0.60 0.00 0.00 56.93 57.27 2x41 s PHE 54 Cb -0.24 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 2x41 s PHE 54 CO 0.30 0.52 -0.06 0.08 0.70 0.00 0.00 175.22 176.76 2x41 s VAL 55 N -1.53 3.68 -0.05 -0.44 1.01 -1.26 -1.78 120.40 120.03 2x41 s VAL 55 Ca 0.36 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2x41 s VAL 55 Cb -0.13 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2x41 s VAL 55 CO 0.23 0.51 -0.18 -0.76 0.00 0.00 0.00 175.10 174.91 2x41 s LEU 56 N 0.29 2.53 -0.03 3.92 1.43 -0.34 -1.01 118.68 125.47 2x41 s LEU 56 Ca -0.05 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.62 2x41 s LEU 56 Cb -0.14 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.60 2x41 s LEU 56 CO 0.04 0.31 0.29 0.00 0.23 0.00 0.00 176.35 177.22 2x41 s ALA 57 N -0.54 -0.73 0.82 4.21 0.00 -0.69 -1.14 121.76 123.69 2x41 s ALA 57 Ca 0.07 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 2x41 s ALA 57 Cb -0.11 -0.01 0.09 0.00 0.00 0.00 0.00 23.12 23.08 2x41 s ALA 57 CO 0.01 -0.24 1.10 -0.51 0.00 0.00 0.00 175.76 176.12 2x41 s ASP 58 N -1.10 4.22 0.00 0.00 1.11 -1.26 0.36 116.67 120.00 2x41 s ASP 58 Ca -0.12 1.33 0.00 0.00 0.18 0.00 0.00 52.55 53.94 2x41 s ASP 58 Cb -0.05 -2.04 0.00 0.00 1.07 0.00 0.00 42.92 41.90 2x41 s ASP 58 CO 0.03 -2.14 0.00 0.61 1.18 0.00 0.00 175.17 174.85 2x41 n GLY 59 N -1.90 2.39 0.24 0.21 0.00 -0.41 0.13 105.19 105.85 2x41 n GLY 59 Ca 0.07 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.41 2x41 n GLY 59 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2x41 h PRO 60 N 0.00 0.00 -0.30 1.61 0.11 -1.85 -2.54 132.00 129.04 2x41 h PRO 60 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2x41 h PRO 60 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2x41 h PRO 60 CO 0.00 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 177.94 2x41 n ALA 61 N -2.44 2.45 0.00 -0.75 0.00 -1.26 -4.78 120.51 113.73 2x41 n ALA 61 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2x41 n ALA 61 Cb 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2x41 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x41 n GLY 62 N 1.41 4.11 3.69 0.00 0.00 -0.95 -0.37 105.19 113.07 2x41 n GLY 62 Ca 0.18 -1.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.14 2x41 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2x41 n LEU 63 N 0.00 3.80 -4.25 0.99 7.94 -1.26 -1.29 117.00 122.93 2x41 n LEU 63 Ca 0.00 1.02 -0.41 0.00 -1.11 0.00 0.00 56.01 55.51 2x41 n LEU 63 Cb 0.00 -1.51 -0.09 0.00 0.53 0.00 0.00 43.42 42.35 2x41 n LEU 63 CO 0.00 0.07 -0.06 -0.60 -1.11 0.00 0.00 177.39 175.69 2x41 s ARG 64 N 2.26 2.58 0.20 1.96 3.52 0.34 -4.71 118.95 125.10 2x41 s ARG 64 Ca 0.81 -1.58 -0.00 0.00 -0.13 0.00 0.00 55.73 54.83 2x41 s ARG 64 Cb -0.54 -3.86 -0.04 0.00 -1.56 0.00 0.00 34.95 28.94 2x41 s ARG 64 CO 0.38 -1.06 0.10 0.96 -0.81 0.00 0.00 175.30 174.87 2x41 s ILE 65 N 1.41 0.19 0.10 4.11 -4.36 -1.26 -4.43 121.20 116.96 2x41 s ILE 65 Ca 0.04 -1.98 -0.31 0.00 -0.26 0.00 0.00 60.65 58.14 2x41 s ILE 65 Cb -0.24 -2.43 -0.07 0.00 1.25 0.00 0.00 42.46 40.96 2x41 s ILE 65 CO 0.01 -0.11 1.38 0.20 0.24 0.00 0.00 174.94 176.67 2x41 s ASN 66 N -3.18 6.84 0.43 4.36 0.01 -0.13 -4.81 114.94 118.47 2x41 s ASN 66 Ca 0.35 2.28 0.18 0.00 -0.71 0.00 0.00 52.86 54.96 2x41 s ASN 66 Cb 0.07 -2.58 0.99 0.00 0.41 0.00 0.00 41.25 40.14 2x41 s ASN 66 CO 0.10 -0.65 1.93 -0.65 -1.51 0.00 0.00 177.10 176.32 2x41 h PRO 67 N 6.94 0.00 -5.09 -0.60 0.11 -1.90 -3.43 132.00 128.04 2x41 h PRO 67 Ca -0.42 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.32 2x41 h PRO 67 Cb 1.21 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.17 2x41 h PRO 67 CO 0.87 0.25 -0.66 0.95 -0.21 0.00 0.00 178.00 179.20 2x41 s THR 68 N -4.26 1.05 0.05 -1.15 -4.23 -1.26 -1.10 115.64 104.74 2x41 s THR 68 Ca -0.03 -2.04 -0.00 0.00 -1.18 0.00 0.00 61.69 58.44 2x41 s THR 68 Cb 0.14 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 2x41 s THR 68 CO 0.68 -0.35 -0.04 -0.13 -0.54 0.00 0.00 174.62 174.24 2x41 s ARG 69 N -3.86 0.58 0.51 3.99 0.52 -1.26 -5.03 118.95 114.41 2x41 s ARG 69 Ca 0.28 -1.09 -0.21 0.00 -0.52 0.00 0.00 55.73 54.19 2x41 s ARG 69 Cb 0.05 0.09 -0.06 0.00 0.52 0.00 0.00 34.95 35.55 2x41 s ARG 69 CO 0.08 -0.07 1.15 -1.21 0.02 0.00 0.00 175.30 175.27 2x41 s GLU 70 N -3.26 3.53 -1.55 3.54 2.02 -1.26 -3.13 118.70 118.59 2x41 s GLU 70 Ca 0.02 1.69 -0.09 0.00 0.02 0.00 0.00 54.97 56.61 2x41 s GLU 70 Cb 0.03 -2.18 0.08 0.00 0.10 0.00 0.00 34.13 32.15 2x41 s GLU 70 CO -0.07 -0.72 0.61 0.09 0.02 0.00 0.00 175.26 175.19 2x41 n ASN 71 N -0.94 -1.90 -3.72 -0.19 5.03 -1.26 -4.94 115.26 107.34 2x41 n ASN 71 Ca 0.10 -1.00 -0.12 0.00 0.87 0.00 0.00 54.58 54.43 2x41 n ASN 71 Cb 0.50 -2.94 -0.12 0.00 -1.02 0.00 0.00 39.78 36.19 2x41 n ASN 71 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2x41 s ASP 72 N -3.83 -0.33 0.01 6.41 -1.08 -1.18 -5.03 116.67 111.64 2x41 s ASP 72 Ca 0.37 0.64 0.22 0.00 -0.52 0.00 0.00 52.55 53.26 2x41 s ASP 72 Cb -0.20 0.53 -0.03 0.00 -1.46 0.00 0.00 42.92 41.76 2x41 s ASP 72 CO 0.90 -0.18 0.99 -1.84 0.52 0.00 0.00 175.17 175.57 2x41 n GLU 73 N 4.27 0.14 -2.16 4.34 0.00 -1.26 -4.64 120.64 121.32 2x41 n GLU 73 Ca -0.24 -0.02 -0.31 0.00 0.00 0.00 0.00 57.16 56.59 2x41 n GLU 73 Cb 0.54 -1.53 -0.01 0.00 0.00 0.00 0.00 31.44 30.44 2x41 n GLU 73 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2x41 s ASN 74 N -3.39 6.41 0.09 -1.84 0.01 -1.26 -5.08 114.94 109.88 2x41 s ASN 74 Ca 0.06 1.45 0.01 0.00 -0.71 0.00 0.00 52.86 53.68 2x41 s ASN 74 Cb 0.16 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 2x41 s ASN 74 CO 0.82 -0.72 0.19 -0.89 -1.51 0.00 0.00 177.10 174.99 2x41 s THR 75 N -2.89 5.13 -0.26 1.60 2.01 -1.26 -4.61 115.64 115.35 2x41 s THR 75 Ca 0.56 -0.58 0.20 0.00 0.31 0.00 0.00 61.69 62.19 2x41 s THR 75 Cb -0.10 -3.53 0.50 0.00 0.01 0.00 0.00 72.50 69.38 2x41 s THR 75 CO 0.43 0.07 1.12 -1.22 -0.69 0.00 0.00 174.62 174.34 2x41 n TYR 76 N 0.12 1.48 -1.86 4.92 4.01 -0.25 -4.99 117.16 120.58 2x41 n TYR 76 Ca -0.06 -2.14 -0.34 0.00 -0.16 0.00 0.00 57.90 55.20 2x41 n TYR 76 Cb 0.52 -0.25 0.04 0.00 -0.31 0.00 0.00 39.34 39.35 2x41 n TYR 76 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2x41 s TYR 77 N -3.74 2.47 0.29 -0.72 1.51 -1.26 -4.46 117.35 111.44 2x41 s TYR 77 Ca 0.31 1.55 0.05 0.00 -1.01 0.00 0.00 57.07 57.97 2x41 s TYR 77 Cb 0.34 -3.32 -0.06 0.00 -0.11 0.00 0.00 41.96 38.80 2x41 s TYR 77 CO -0.03 -1.95 -0.01 -0.08 -1.11 0.00 0.00 175.55 172.38 2x41 s THR 78 N -1.98 1.40 -0.14 -0.71 -1.32 -1.25 -4.99 115.64 106.65 2x41 s THR 78 Ca 0.72 -2.06 -0.20 0.00 -1.21 0.00 0.00 61.69 58.94 2x41 s THR 78 Cb -0.25 -2.58 -0.03 0.00 -1.51 0.00 0.00 72.50 68.13 2x41 s THR 78 CO 0.37 -0.19 0.59 -0.89 -2.21 0.00 0.00 174.62 172.29 2x41 s THR 79 N -3.16 5.09 -0.41 5.08 2.01 -1.26 -4.19 115.64 118.79 2x41 s THR 79 Ca 0.32 1.15 -0.17 0.00 0.31 0.00 0.00 61.69 63.30 2x41 s THR 79 Cb 0.06 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.67 2x41 s THR 79 CO 0.13 0.22 0.40 0.00 -0.69 0.00 0.00 174.62 174.68 2x41 s ALA 80 N 1.21 3.44 0.53 7.40 0.00 -1.26 -4.44 121.76 128.63 2x41 s ALA 80 Ca 0.29 -1.52 -0.02 0.00 0.00 0.00 0.00 51.96 50.71 2x41 s ALA 80 Cb -0.16 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 19.97 2x41 s ALA 80 CO 0.12 -1.51 0.79 -0.06 0.00 0.00 0.00 175.76 175.10 2x41 s PHE 81 N 2.04 3.19 0.51 0.00 0.08 0.50 -1.68 117.98 122.61 2x41 s PHE 81 Ca 0.11 0.38 -0.21 0.00 0.12 0.00 0.00 56.93 57.34 2x41 s PHE 81 Cb -0.17 -2.57 -0.08 0.00 -0.57 0.00 0.00 43.02 39.62 2x41 s PHE 81 CO 0.13 -0.65 0.82 -2.30 -0.10 0.00 0.00 175.22 173.12 2x41 n PRO 82 N -2.35 0.91 -1.18 0.24 -0.02 -1.25 -3.91 135.00 127.45 2x41 n PRO 82 Ca 0.04 0.34 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 2x41 n PRO 82 Cb 0.58 -1.93 0.11 0.00 -0.02 0.00 0.00 33.50 32.23 2x41 n PRO 82 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2x41 s VAL 83 N -1.49 3.10 0.30 -1.45 -7.23 -0.84 -4.69 120.40 108.11 2x41 s VAL 83 Ca 0.68 0.36 0.01 0.00 -1.81 0.00 0.00 61.98 61.22 2x41 s VAL 83 Cb -0.49 -2.78 0.28 0.00 0.56 0.00 0.00 36.38 33.95 2x41 s VAL 83 CO 0.53 -0.47 1.91 -0.33 -0.31 0.00 0.00 175.10 176.44 2x41 h GLU 84 N -1.27 0.98 0.00 4.82 5.08 -1.72 0.12 114.58 122.59 2x41 h GLU 84 Ca -0.44 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 2x41 h GLU 84 Cb 1.24 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2x41 h GLU 84 CO 0.50 0.65 -0.18 0.97 -1.00 0.00 0.00 179.01 179.95 2x41 h ILE 85 N 1.01 0.99 0.17 3.13 2.10 -0.91 0.46 117.51 124.46 2x41 h ILE 85 Ca 0.39 -0.66 -0.28 0.00 1.08 0.00 0.00 64.86 65.39 2x41 h ILE 85 Cb 0.20 1.37 0.03 0.00 -1.09 0.00 0.00 36.82 37.33 2x41 h ILE 85 CO -0.14 0.18 -1.20 -0.03 -1.08 0.00 0.00 178.15 175.87 2x41 h MET 86 N 0.00 0.52 -0.99 2.19 4.05 -1.31 -2.67 114.93 116.71 2x41 h MET 86 Ca -0.00 -0.78 0.06 0.00 -0.28 0.00 0.00 59.70 58.70 2x41 h MET 86 Cb 0.35 0.28 -0.07 0.00 -0.80 0.00 0.00 31.60 31.36 2x41 h MET 86 CO 0.02 1.36 0.64 -0.07 0.23 0.00 0.00 176.91 179.10 2x41 h LEU 87 N 0.07 1.04 -1.04 3.39 3.38 -0.07 -1.36 115.31 120.71 2x41 h LEU 87 Ca -0.20 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 2x41 h LEU 87 Cb 1.92 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 2x41 h LEU 87 CO 0.23 0.67 -0.25 0.00 0.09 0.00 0.00 178.44 179.18 2x41 h ALA 88 N 1.46 1.19 0.00 1.53 0.00 -0.15 -2.50 119.26 120.78 2x41 h ALA 88 Ca 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2x41 h ALA 88 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2x41 h ALA 88 CO -0.16 0.52 0.00 0.77 0.00 0.00 0.00 179.25 180.38 2x41 h SER 89 N 0.35 0.00 0.91 0.00 0.02 -0.88 -1.19 113.55 112.75 2x41 h SER 89 Ca 0.05 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2x41 h SER 89 Cb 0.63 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2x41 h SER 89 CO 0.04 0.00 -0.26 0.71 -1.14 0.00 0.00 176.83 176.19 2x41 h THR 90 N 0.00 0.63 -4.57 -2.27 1.35 -1.34 0.28 112.91 106.99 2x41 h THR 90 Ca 0.00 -1.21 -0.24 0.00 -0.55 0.00 0.00 66.41 64.41 2x41 h THR 90 Cb 0.15 1.80 -0.03 0.00 -1.73 0.00 0.00 68.15 68.34 2x41 h THR 90 CO 0.00 0.25 -0.33 0.79 -0.25 0.00 0.00 175.52 175.99 2x41 n TRP 91 N -3.43 -1.63 -3.98 4.73 7.02 -0.45 -4.86 117.44 114.84 2x41 n TRP 91 Ca 0.00 0.14 -0.31 0.00 -1.02 0.00 0.00 57.50 56.31 2x41 n TRP 91 Cb 0.45 -2.44 -0.15 0.00 -2.42 0.00 0.00 31.31 26.75 2x41 n TRP 91 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2x41 s ASN 92 N -2.23 4.62 0.10 -0.99 3.84 -1.26 -4.48 114.94 114.55 2x41 s ASN 92 Ca 0.12 -2.02 -0.22 0.00 0.21 0.00 0.00 52.86 50.96 2x41 s ASN 92 Cb -0.07 -1.51 -0.11 0.00 -0.55 0.00 0.00 41.25 39.02 2x41 s ASN 92 CO 0.15 -0.37 1.73 0.03 -2.79 0.00 0.00 177.10 175.86 2x41 h ARG 93 N 7.69 0.03 -0.46 0.43 3.08 -1.93 -1.66 114.38 121.57 2x41 h ARG 93 Ca -0.07 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.07 2x41 h ARG 93 Cb 1.02 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.98 2x41 h ARG 93 CO 0.51 0.02 -0.13 1.49 -1.07 0.00 0.00 179.97 180.79 2x41 h GLU 94 N 0.03 -0.02 -0.87 0.04 4.81 -1.97 -0.88 114.58 115.72 2x41 h GLU 94 Ca 0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2x41 h GLU 94 Cb 0.04 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 2x41 h GLU 94 CO -0.06 -0.01 0.46 1.25 -0.73 0.00 0.00 179.01 179.91 2x41 h LEU 95 N -0.02 1.10 -1.08 1.64 5.85 -1.94 -1.92 115.31 118.94 2x41 h LEU 95 Ca 0.22 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2x41 h LEU 95 Cb 0.35 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2x41 h LEU 95 CO -0.48 0.90 0.32 -0.07 -0.34 0.00 0.00 178.44 178.77 2x41 h LEU 96 N 1.22 0.88 -0.61 2.25 -0.00 -0.31 -0.87 115.31 117.87 2x41 h LEU 96 Ca 0.30 -0.10 -0.05 0.00 -0.00 0.00 0.00 57.88 58.04 2x41 h LEU 96 Cb 0.06 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.47 2x41 h LEU 96 CO -0.05 0.75 0.19 -0.08 -0.00 0.00 0.00 178.44 179.25 2x41 h GLU 97 N 0.97 0.95 -0.86 1.13 4.81 -0.61 -1.21 114.58 119.75 2x41 h GLU 97 Ca 0.24 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2x41 h GLU 97 Cb 0.11 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 2x41 h GLU 97 CO -0.03 0.84 0.45 0.93 -0.73 0.00 0.00 179.01 180.48 2x41 h GLU 98 N 0.87 1.22 -0.69 1.92 4.39 -0.78 -0.15 114.58 121.36 2x41 h GLU 98 Ca 0.20 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 2x41 h GLU 98 Cb 0.29 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 2x41 h GLU 98 CO -0.01 0.90 0.23 0.28 -1.16 0.00 0.00 179.01 179.25 2x41 h VAL 99 N 1.22 1.25 -0.52 3.13 2.07 -0.88 -1.52 116.25 121.01 2x41 h VAL 99 Ca 0.30 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2x41 h VAL 99 Cb 0.06 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2x41 h VAL 99 CO -0.05 0.34 0.24 1.23 0.02 0.00 0.00 177.57 179.35 2x41 h GLY 100 N 1.01 0.80 0.96 2.17 0.00 -0.70 -1.66 103.07 105.66 2x41 h GLY 100 Ca 0.22 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2x41 h GLY 100 CO -0.01 0.39 0.04 0.50 0.00 0.00 0.00 176.54 177.46 2x41 h LYS 101 N 0.69 0.09 -0.02 4.80 1.57 -0.80 0.32 116.57 123.22 2x41 h LYS 101 Ca 0.18 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 2x41 h LYS 101 Cb 0.13 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 2x41 h LYS 101 CO -0.02 0.06 -0.17 0.00 -0.57 0.00 0.00 179.45 178.74 2x41 h ALA 102 N 1.04 -0.20 -0.66 3.86 0.00 -1.15 0.10 119.26 122.26 2x41 h ALA 102 Ca 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2x41 h ALA 102 Cb 0.01 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2x41 h ALA 102 CO -0.02 -0.66 0.40 0.52 0.00 0.00 0.00 179.25 179.49 2x41 h MET 103 N -0.27 0.90 -0.96 0.00 2.86 -1.21 -2.89 114.93 113.36 2x41 h MET 103 Ca 0.06 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2x41 h MET 103 Cb 0.35 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.78 2x41 h MET 103 CO -0.18 0.64 0.63 0.78 1.06 0.00 0.00 176.91 179.85 2x41 h GLY 104 N 0.90 1.34 1.02 8.32 0.00 0.30 0.78 103.07 115.74 2x41 h GLY 104 Ca 0.24 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2x41 h GLY 104 CO -0.04 0.49 0.35 -2.09 0.00 0.00 0.00 176.54 175.24 2x41 h GLU 105 N 1.29 1.10 -0.39 4.80 4.81 -0.63 -0.53 114.58 125.03 2x41 h GLU 105 Ca 0.35 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 2x41 h GLU 105 Cb -0.15 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.03 2x41 h GLU 105 CO -0.08 0.87 -0.29 0.93 -0.73 0.00 0.00 179.01 179.71 2x41 h GLU 106 N 1.07 0.89 -0.03 1.92 5.08 -1.18 -1.05 114.58 121.27 2x41 h GLU 106 Ca 0.26 -0.43 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2x41 h GLU 106 Cb 0.14 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2x41 h GLU 106 CO -0.03 1.08 -0.19 0.28 -1.00 0.00 0.00 179.01 179.16 2x41 h VAL 107 N 0.71 0.55 0.15 3.13 2.07 -0.56 -1.55 116.25 120.75 2x41 h VAL 107 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2x41 h VAL 107 Cb 0.87 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2x41 h VAL 107 CO 0.08 0.00 -0.14 -0.09 0.02 0.00 0.00 177.57 177.44 2x41 h ARG 108 N -0.29 -0.30 0.00 1.57 2.43 -0.97 -0.92 114.38 115.90 2x41 h ARG 108 Ca 0.07 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2x41 h ARG 108 Cb 0.38 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2x41 h ARG 108 CO -0.20 -0.20 0.00 0.93 -1.51 0.00 0.00 179.97 178.99 2x41 h GLU 109 N -0.31 0.00 -0.64 0.20 4.39 -1.09 -2.32 114.58 114.81 2x41 h GLU 109 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2x41 h GLU 109 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2x41 h GLU 109 CO -0.03 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.48 2x41 n TYR 110 N -2.58 1.09 -0.92 4.33 4.01 -0.59 -0.61 117.16 121.89 2x41 n TYR 110 Ca 0.02 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 57.29 2x41 n TYR 110 Cb 0.30 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 2x41 n TYR 110 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x41 n GLY 111 N 1.27 0.45 3.87 2.72 0.00 -0.87 -4.87 105.19 107.75 2x41 n GLY 111 Ca 0.22 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 2x41 n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x41 s VAL 112 N -2.00 5.17 -0.24 1.61 1.01 -0.36 -4.72 120.40 120.88 2x41 s VAL 112 Ca 0.00 0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.38 2x41 s VAL 112 Cb 0.00 -3.62 -0.17 0.00 0.00 0.00 0.00 36.38 32.59 2x41 s VAL 112 CO 0.00 0.34 -0.18 0.47 0.00 0.00 0.00 175.10 175.73 2x41 n ASP 113 N 1.05 1.82 -3.91 3.32 9.92 -0.18 -4.19 116.55 124.38 2x41 n ASP 113 Ca -0.10 -0.11 -0.24 0.00 -0.53 0.00 0.00 54.79 53.81 2x41 n ASP 113 Cb 0.52 -0.20 -0.17 0.00 -0.64 0.00 0.00 41.12 40.64 2x41 n ASP 113 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2x41 s VAL 114 N -2.49 0.82 -0.09 2.53 1.01 -0.72 -1.43 120.40 120.02 2x41 s VAL 114 Ca -0.30 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 2x41 s VAL 114 Cb 0.08 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2x41 s VAL 114 CO 0.60 0.31 0.66 -0.22 0.00 0.00 0.00 175.10 176.46 2x41 s LEU 115 N 1.33 4.29 -1.44 3.92 2.96 0.64 -1.71 118.68 128.67 2x41 s LEU 115 Ca -0.03 1.09 -0.13 0.00 -0.22 0.00 0.00 54.13 54.84 2x41 s LEU 115 Cb -0.14 -3.01 0.05 0.00 0.50 0.00 0.00 46.19 43.60 2x41 s LEU 115 CO -0.03 -0.12 2.24 0.18 -1.32 0.00 0.00 176.35 177.29 2x41 n LEU 116 N 3.95 7.03 -3.53 -0.68 4.77 0.16 -2.04 117.00 126.66 2x41 n LEU 116 Ca -0.02 -4.27 -0.09 0.00 -0.03 0.00 0.00 56.01 51.60 2x41 n LEU 116 Cb 0.51 -1.61 -0.03 0.00 -2.33 0.00 0.00 43.42 39.96 2x41 n LEU 116 CO 0.46 1.27 0.73 0.00 -1.33 0.00 0.00 177.39 178.52 2x41 s ALA 117 N 2.49 -1.87 0.42 -1.18 0.00 -0.97 -4.08 121.76 116.57 2x41 s ALA 117 Ca 0.48 1.23 -0.04 0.00 0.00 0.00 0.00 51.96 53.63 2x41 s ALA 117 Cb 0.14 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2x41 s ALA 117 CO -0.07 -0.57 0.70 -1.25 0.00 0.00 0.00 175.76 174.57 2x41 s PRO 118 N -2.46 3.56 0.13 0.00 0.04 -1.22 -0.61 135.00 134.44 2x41 s PRO 118 Ca 0.03 0.07 -0.26 0.00 0.04 0.00 0.00 61.00 60.88 2x41 s PRO 118 Cb -0.01 -2.48 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 2x41 s PRO 118 CO -0.05 -0.05 0.80 0.00 0.04 0.00 0.00 177.00 177.74 2x41 s ALA 119 N -2.52 3.40 -0.01 8.56 0.00 -1.26 -1.85 121.76 128.08 2x41 s ALA 119 Ca 0.45 0.37 0.18 0.00 0.00 0.00 0.00 51.96 52.97 2x41 s ALA 119 Cb -0.10 -3.01 0.30 0.00 0.00 0.00 0.00 23.12 20.31 2x41 s ALA 119 CO 0.40 0.20 1.12 0.00 0.00 0.00 0.00 175.76 177.48 2x41 n MET 120 N 2.02 0.08 -2.18 0.00 0.00 0.26 -4.36 117.12 112.93 2x41 n MET 120 Ca -0.04 -1.74 -0.36 0.00 0.00 0.00 0.00 57.70 55.57 2x41 n MET 120 Cb 0.49 0.10 0.01 0.00 0.00 0.00 0.00 33.22 33.82 2x41 n MET 120 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 2x41 s ASN 121 N -1.74 5.66 0.36 3.17 -0.87 -1.25 -4.86 114.94 115.41 2x41 s ASN 121 Ca 0.23 2.27 -0.27 0.00 -1.57 0.00 0.00 52.86 53.53 2x41 s ASN 121 Cb 0.27 -2.59 -0.09 0.00 -0.02 0.00 0.00 41.25 38.82 2x41 s ASN 121 CO -0.11 -1.26 1.15 -0.63 -2.57 0.00 0.00 177.10 173.67 2x41 s ILE 122 N -1.67 3.27 -1.18 0.60 -1.09 -1.26 -4.47 121.20 115.40 2x41 s ILE 122 Ca 0.72 1.13 -0.21 0.00 -2.23 0.00 0.00 60.65 60.06 2x41 s ILE 122 Cb -0.27 -3.66 -0.00 0.00 -1.58 0.00 0.00 42.46 36.95 2x41 s ILE 122 CO 0.31 0.16 1.80 -1.00 -1.23 0.00 0.00 174.94 174.97 2x41 s HIS 123 N -1.35 2.34 0.09 3.97 3.76 -0.37 -4.73 115.29 118.99 2x41 s HIS 123 Ca 0.53 -0.51 -0.14 0.00 -0.15 0.00 0.00 55.06 54.78 2x41 s HIS 123 Cb -0.31 -4.40 -0.15 0.00 1.11 0.00 0.00 32.58 28.84 2x41 s HIS 123 CO 0.39 -1.60 1.31 -0.09 -0.85 0.00 0.00 174.74 173.90 2x41 h ARG 124 N 9.06 0.72 -3.65 1.40 2.43 -1.89 -3.41 114.38 119.03 2x41 h ARG 124 Ca 0.29 -0.54 -0.25 0.00 -0.81 0.00 0.00 59.98 58.68 2x41 h ARG 124 Cb 0.93 0.10 -0.30 0.00 -0.42 0.00 0.00 29.97 30.28 2x41 h ARG 124 CO 1.34 1.16 -0.72 1.21 -1.51 0.00 0.00 179.97 181.46 2x41 s ASN 125 N -6.89 0.01 0.31 -3.80 3.84 -1.26 -4.63 114.94 102.52 2x41 s ASN 125 Ca -0.11 0.03 0.24 0.00 0.21 0.00 0.00 52.86 53.22 2x41 s ASN 125 Cb 0.08 -0.01 1.13 0.00 -0.55 0.00 0.00 41.25 41.90 2x41 s ASN 125 CO 0.87 -0.04 1.72 1.55 -2.79 0.00 0.00 177.10 178.41 2x41 h PRO 126 N 6.49 0.00 0.00 0.43 0.13 -1.95 -2.87 132.00 134.23 2x41 h PRO 126 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2x41 h PRO 126 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2x41 h PRO 126 CO 0.50 0.00 -0.25 1.28 -0.23 0.00 0.00 178.00 179.30 2x41 n LEU 127 N -2.31 0.72 -4.66 1.56 4.77 -1.26 -4.65 117.00 111.18 2x41 n LEU 127 Ca 0.00 0.43 -0.49 0.00 -0.03 0.00 0.00 56.01 55.92 2x41 n LEU 127 Cb 0.13 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 2x41 n LEU 127 CO 0.15 -0.12 1.19 0.00 -1.33 0.00 0.00 177.39 177.29 2x41 h GLY 129 N 6.31 0.00 -1.71 0.00 0.00 -1.82 -2.57 103.07 103.28 2x41 h GLY 129 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2x41 h GLY 129 CO 0.88 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.96 2x41 n ARG 130 N -2.81 2.43 -0.34 4.80 1.74 -1.26 -2.72 116.66 118.50 2x41 n ARG 130 Ca -0.01 -2.09 0.20 0.00 -0.77 0.00 0.00 57.85 55.18 2x41 n ARG 130 Cb 0.17 -1.37 0.44 0.00 -1.02 0.00 0.00 32.46 30.69 2x41 n ARG 130 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2x41 h ASN 131 N 2.98 0.57 -0.58 0.55 2.35 -1.77 -0.21 115.58 119.46 2x41 h ASN 131 Ca 0.00 0.11 0.10 0.00 -0.55 0.00 0.00 56.30 55.96 2x41 h ASN 131 Cb 0.79 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.15 2x41 h ASN 131 CO 0.00 0.10 0.39 2.19 -1.65 0.00 0.00 177.43 178.47 2x41 h PHE 132 N 0.50 0.39 -0.53 1.19 -0.00 -1.79 -1.29 116.94 115.40 2x41 h PHE 132 Ca 0.62 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.60 2x41 h PHE 132 Cb 1.36 -0.12 0.00 0.00 -0.00 0.00 0.00 35.95 37.18 2x41 h PHE 132 CO -0.00 0.18 0.00 -0.85 -0.00 0.00 0.00 178.31 177.64 2x41 n GLU 133 N -4.46 4.45 -4.36 6.09 0.28 -0.10 -1.55 120.64 120.98 2x41 n GLU 133 Ca 0.10 -3.08 -0.24 0.00 -0.16 0.00 0.00 57.16 53.77 2x41 n GLU 133 Cb 0.39 -2.15 -0.09 0.00 1.43 0.00 0.00 31.44 31.02 2x41 n GLU 133 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2x41 s TYR 134 N -2.67 2.53 -0.12 -1.84 2.02 -0.49 -4.37 117.35 112.40 2x41 s TYR 134 Ca 0.52 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.72 2x41 s TYR 134 Cb 0.39 -1.37 -0.08 0.00 -0.40 0.00 0.00 41.96 40.50 2x41 s TYR 134 CO 0.16 0.54 0.19 1.88 -1.57 0.00 0.00 175.55 176.74 2x41 h TYR 135 N 1.89 0.00 -3.07 2.71 0.05 -1.78 -2.66 116.97 114.11 2x41 h TYR 135 Ca -0.43 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.38 2x41 h TYR 135 Cb 1.25 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.92 2x41 h TYR 135 CO 0.72 0.36 0.18 0.45 -1.05 0.00 0.00 178.16 178.82 2x41 s SER 136 N -5.84 -0.33 0.00 3.88 0.15 -1.26 -4.60 113.70 105.70 2x41 s SER 136 Ca -0.09 -0.45 0.28 0.00 0.70 0.00 0.00 55.95 56.39 2x41 s SER 136 Cb -0.00 0.67 1.03 0.00 -1.71 0.00 0.00 66.02 66.01 2x41 s SER 136 CO 0.25 -1.20 1.74 -1.84 1.20 0.00 0.00 173.24 173.39 2x41 n GLU 137 N -0.42 0.62 -4.67 5.44 0.28 -1.00 -1.24 120.64 119.65 2x41 n GLU 137 Ca -0.08 -0.27 -0.33 0.00 -0.16 0.00 0.00 57.16 56.32 2x41 n GLU 137 Cb 0.61 -1.49 -0.13 0.00 1.43 0.00 0.00 31.44 31.85 2x41 n GLU 137 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2x41 s ASP 138 N -2.57 4.29 0.37 -1.84 2.15 -1.26 -4.68 116.67 113.14 2x41 s ASP 138 Ca 0.25 -0.23 0.13 0.00 0.43 0.00 0.00 52.55 53.13 2x41 s ASP 138 Cb 0.19 -1.56 0.72 0.00 -0.30 0.00 0.00 42.92 41.97 2x41 s ASP 138 CO 0.51 0.20 1.82 1.55 -0.17 0.00 0.00 175.17 179.08 2x41 h PRO 139 N 6.46 0.00 -0.02 4.34 0.13 -1.88 -1.52 132.00 139.50 2x41 h PRO 139 Ca -0.31 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.76 2x41 h PRO 139 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2x41 h PRO 139 CO 0.57 0.38 -0.21 0.28 -0.23 0.00 0.00 178.00 178.79 2x41 h VAL 140 N 0.00 1.50 -0.23 1.56 2.07 -1.92 0.81 116.25 120.04 2x41 h VAL 140 Ca -0.00 -1.78 0.01 0.00 0.82 0.00 0.00 66.70 65.76 2x41 h VAL 140 Cb 0.69 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 2x41 h VAL 140 CO 0.05 0.49 0.11 0.25 0.02 0.00 0.00 177.57 178.49 2x41 h LEU 141 N -0.43 0.17 0.11 2.57 5.85 -1.92 -0.64 115.31 121.02 2x41 h LEU 141 Ca -0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2x41 h LEU 141 Cb 0.91 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2x41 h LEU 141 CO 0.04 0.13 -0.05 -1.28 -0.34 0.00 0.00 178.44 176.94 2x41 h SER 142 N 0.24 -0.12 -0.82 1.25 0.87 -1.30 -0.80 113.55 112.87 2x41 h SER 142 Ca 0.09 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2x41 h SER 142 Cb 0.02 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 2x41 h SER 142 CO -0.06 -0.05 0.44 1.23 -0.53 0.00 0.00 176.83 177.85 2x41 h GLY 143 N -0.18 1.23 1.05 5.77 0.00 -0.79 -0.80 103.07 109.35 2x41 h GLY 143 Ca -0.01 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 46.61 2x41 h GLY 143 CO 0.02 0.54 -0.30 0.83 0.00 0.00 0.00 176.54 177.64 2x41 h GLU 144 N 1.15 0.83 -0.39 4.80 4.39 -0.92 -0.46 114.58 123.97 2x41 h GLU 144 Ca 0.29 -0.42 -0.12 0.00 0.34 0.00 0.00 59.36 59.45 2x41 h GLU 144 Cb 0.05 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2x41 h GLU 144 CO -0.04 1.06 -0.22 0.52 -1.16 0.00 0.00 179.01 179.16 2x41 h MET 145 N 0.62 0.85 -0.29 2.33 2.86 -1.05 -2.19 114.93 118.06 2x41 h MET 145 Ca 0.06 -0.38 0.01 0.00 -2.06 0.00 0.00 59.70 57.32 2x41 h MET 145 Cb 0.88 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 2x41 h MET 145 CO 0.08 1.02 0.18 0.00 1.06 0.00 0.00 176.91 179.25 2x41 h ALA 146 N 0.80 0.36 -0.31 6.32 0.00 -1.07 -1.74 119.26 123.62 2x41 h ALA 146 Ca 0.08 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2x41 h ALA 146 Cb 0.79 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2x41 h ALA 146 CO 0.06 -0.18 0.07 0.77 0.00 0.00 0.00 179.25 179.97 2x41 h SER 147 N 0.38 0.03 -0.63 0.00 0.02 -0.99 0.56 113.55 112.92 2x41 h SER 147 Ca 0.11 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2x41 h SER 147 Cb -0.03 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 2x41 h SER 147 CO -0.03 0.05 0.41 0.28 -1.14 0.00 0.00 176.83 176.40 2x41 h SER 148 N 0.19 0.71 0.14 3.07 0.02 -1.25 -1.94 113.55 114.49 2x41 h SER 148 Ca 0.14 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2x41 h SER 148 Cb 0.15 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2x41 h SER 148 CO -0.18 0.51 -0.07 0.15 -1.14 0.00 0.00 176.83 176.10 2x41 h PHE 149 N 0.84 -0.17 -0.63 3.45 3.57 -0.80 -2.51 116.94 120.68 2x41 h PHE 149 Ca 0.24 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.83 2x41 h PHE 149 Cb -0.08 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.65 2x41 h PHE 149 CO -0.03 -0.01 0.24 0.28 -2.23 0.00 0.00 178.31 176.55 2x41 h VAL 150 N -0.30 0.75 -0.93 1.41 2.07 -0.76 -1.42 116.25 117.07 2x41 h VAL 150 Ca -0.02 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.38 2x41 h VAL 150 Cb 0.24 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 2x41 h VAL 150 CO 0.03 0.08 0.61 0.11 0.02 0.00 0.00 177.57 178.42 2x41 h LYS 151 N 0.41 1.20 -0.23 1.57 1.57 -1.25 -0.61 116.57 119.24 2x41 h LYS 151 Ca 0.32 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2x41 h LYS 151 Cb 0.41 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2x41 h LYS 151 CO -0.32 0.79 0.10 0.78 -0.57 0.00 0.00 179.45 180.22 2x41 h GLY 152 N 1.23 0.37 0.99 3.86 0.00 -0.88 -2.02 103.07 106.62 2x41 h GLY 152 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2x41 h GLY 152 CO -0.09 0.19 0.23 -2.08 0.00 0.00 0.00 176.54 174.79 2x41 h VAL 153 N 0.22 1.11 -0.00 4.60 2.07 -0.90 -3.01 116.25 120.33 2x41 h VAL 153 Ca 0.08 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2x41 h VAL 153 Cb 0.17 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2x41 h VAL 153 CO -0.01 0.10 -0.09 0.00 0.02 0.00 0.00 177.57 177.60 2x41 n GLN 154 N -4.82 0.64 0.00 1.57 6.02 -0.27 -1.94 117.38 118.58 2x41 n GLN 154 Ca -0.00 -0.18 0.13 0.00 -0.01 0.00 0.00 57.00 56.93 2x41 n GLN 154 Cb 0.04 -1.50 0.65 0.00 1.02 0.00 0.00 30.24 30.45 2x41 n GLN 154 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2x41 n SER 155 N -1.02 0.00 -1.23 1.08 3.41 -0.77 -3.20 113.62 111.90 2x41 n SER 155 Ca 0.15 -0.09 0.08 0.00 -0.26 0.00 0.00 58.87 58.74 2x41 n SER 155 Cb 0.27 -0.28 0.30 0.00 -0.26 0.00 0.00 64.21 64.23 2x41 n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x41 n GLN 156 N -1.28 3.48 -0.98 4.33 1.13 -0.82 -4.94 117.38 118.30 2x41 n GLN 156 Ca 0.12 -2.76 0.00 0.00 -1.94 0.00 0.00 57.00 52.43 2x41 n GLN 156 Cb 0.20 -1.81 0.00 0.00 0.11 0.00 0.00 30.24 28.74 2x41 n GLN 156 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2x41 n GLY 157 N 0.43 0.55 3.67 1.08 0.00 -1.19 -4.82 105.19 104.92 2x41 n GLY 157 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 2x41 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x41 s VAL 158 N -2.34 1.98 0.02 1.61 -7.23 -1.26 -4.22 120.40 108.97 2x41 s VAL 158 Ca 0.00 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.28 2x41 s VAL 158 Cb 0.00 -2.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 2x41 s VAL 158 CO 0.00 0.00 0.02 -0.83 -0.31 0.00 0.00 175.10 173.98 2x41 s GLY 159 N -3.79 1.92 0.44 2.32 0.00 -0.52 -4.00 107.32 103.69 2x41 s GLY 159 Ca 0.34 -0.97 0.07 0.00 0.00 0.00 0.00 44.72 44.15 2x41 s GLY 159 CO 0.18 -0.86 0.60 0.00 0.00 0.00 0.00 173.10 173.01 2x41 s ALA 160 N -1.16 4.42 -0.24 3.20 0.00 -1.26 -0.26 121.76 126.46 2x41 s ALA 160 Ca 0.22 -1.61 -0.03 0.00 0.00 0.00 0.00 51.96 50.54 2x41 s ALA 160 Cb -0.12 -1.71 0.11 0.00 0.00 0.00 0.00 23.12 21.41 2x41 s ALA 160 CO 0.13 -0.35 0.25 0.00 0.00 0.00 0.00 175.76 175.79 2x41 s ILE 162 N 2.34 3.80 0.09 0.00 -4.36 -1.01 -2.28 121.20 119.78 2x41 s ILE 162 Ca 0.08 1.60 -0.09 0.00 -0.26 0.00 0.00 60.65 61.98 2x41 s ILE 162 Cb -0.15 -4.02 -0.00 0.00 1.25 0.00 0.00 42.46 39.53 2x41 s ILE 162 CO -0.20 0.30 0.20 -1.59 0.24 0.00 0.00 174.94 173.89 2x41 s LYS 163 N -0.57 0.87 -0.18 0.37 -2.85 -0.77 -1.46 119.74 115.14 2x41 s LYS 163 Ca 0.48 -0.97 -0.03 0.00 -1.00 0.00 0.00 55.97 54.45 2x41 s LYS 163 Cb -0.30 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 35.80 2x41 s LYS 163 CO 0.36 -0.28 -0.07 -1.01 0.10 0.00 0.00 175.35 174.45 2x41 s HIS 164 N -3.87 2.92 -0.51 1.78 0.09 -1.26 0.89 115.29 115.34 2x41 s HIS 164 Ca 0.06 -0.73 -0.23 0.00 -0.00 0.00 0.00 55.06 54.16 2x41 s HIS 164 Cb 0.05 -1.99 0.04 0.00 -0.00 0.00 0.00 32.58 30.67 2x41 s HIS 164 CO -0.10 -0.34 0.86 0.12 -0.00 0.00 0.00 174.74 175.28 2x41 s PHE 165 N 0.90 2.89 0.24 1.40 5.36 0.00 -4.03 117.98 124.75 2x41 s PHE 165 Ca -0.01 0.03 -0.07 0.00 -0.96 0.00 0.00 56.93 55.91 2x41 s PHE 165 Cb -0.15 -3.89 -0.02 0.00 -0.34 0.00 0.00 43.02 38.63 2x41 s PHE 165 CO 0.01 -1.19 0.34 0.54 -1.46 0.00 0.00 175.22 173.47 2x41 s VAL 166 N 3.60 0.00 -1.55 3.12 0.11 -1.26 -0.24 120.40 124.19 2x41 s VAL 166 Ca 0.29 -1.65 -0.04 0.00 -2.93 0.00 0.00 61.98 57.65 2x41 s VAL 166 Cb -0.13 -2.35 0.00 0.00 -1.53 0.00 0.00 36.38 32.37 2x41 s VAL 166 CO 0.20 0.00 0.48 0.00 -3.33 0.00 0.00 175.10 172.46 2x41 n ALA 167 N -0.36 -0.87 -2.61 1.54 0.00 -1.26 -4.82 120.51 112.13 2x41 n ALA 167 Ca 0.00 0.26 -0.43 0.00 0.00 0.00 0.00 53.44 53.27 2x41 n ALA 167 Cb 0.63 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.59 2x41 n ALA 167 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2x41 n ASN 168 N -2.27 5.12 -0.80 0.00 4.05 -1.26 -4.76 115.26 115.35 2x41 n ASN 168 Ca -0.13 -3.04 0.07 0.00 0.45 0.00 0.00 54.58 51.93 2x41 n ASN 168 Cb 0.63 -1.53 0.19 0.00 1.23 0.00 0.00 39.78 40.30 2x41 n ASN 168 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2x41 n ASN 169 N 4.86 3.20 -3.72 1.20 4.13 -1.26 -4.88 115.26 118.79 2x41 n ASN 169 Ca 0.39 -2.06 -0.11 0.00 1.68 0.00 0.00 54.58 54.48 2x41 n ASN 169 Cb 0.40 -0.30 -0.06 0.00 -1.54 0.00 0.00 39.78 38.27 2x41 n ASN 169 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2x41 s GLN 170 N -1.11 0.92 -0.09 3.52 -2.07 -1.26 -4.68 119.66 114.89 2x41 s GLN 170 Ca 0.29 -0.62 0.11 0.00 -1.82 0.00 0.00 55.36 53.32 2x41 s GLN 170 Cb 0.16 0.40 -0.24 0.00 -1.09 0.00 0.00 33.01 32.24 2x41 s GLN 170 CO 0.19 -0.32 0.50 0.39 -1.32 0.00 0.00 175.29 174.73 2x41 n GLU 171 N 0.20 0.66 -1.63 9.60 -0.58 -1.26 -4.63 120.64 122.99 2x41 n GLU 171 Ca -0.17 0.23 -0.45 0.00 -0.42 0.00 0.00 57.16 56.35 2x41 n GLU 171 Cb 0.61 -1.73 -0.04 0.00 -0.57 0.00 0.00 31.44 29.72 2x41 n GLU 171 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2x41 n THR 172 N -3.04 0.55 -3.23 2.62 -1.04 -1.26 -1.80 114.28 107.07 2x41 n THR 172 Ca -0.22 -0.23 -0.23 0.00 -2.04 0.00 0.00 64.05 61.33 2x41 n THR 172 Cb 1.07 -2.19 0.02 0.00 -1.82 0.00 0.00 70.33 67.41 2x41 n THR 172 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2x41 n ASN 173 N 8.59 -4.87 0.00 8.00 4.13 -1.26 -4.83 115.26 125.02 2x41 n ASN 173 Ca 0.25 -0.36 0.13 0.00 1.68 0.00 0.00 54.58 56.28 2x41 n ASN 173 Cb 0.37 -3.97 0.56 0.00 -1.54 0.00 0.00 39.78 35.20 2x41 n ASN 173 CO 0.00 0.00 0.00 0.08 0.28 0.00 0.00 177.26 177.62 2x41 h ARG 174 N -1.23 0.24 0.00 3.52 0.11 -1.61 0.22 114.38 115.64 2x41 h ARG 174 Ca -0.48 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2x41 h ARG 174 Cb 1.33 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2x41 h ARG 174 CO 0.55 0.16 0.00 -1.33 0.10 0.00 0.00 179.97 179.46 2x41 n MET 175 N -4.46 0.44 0.00 0.08 2.81 -1.26 -2.23 117.12 112.49 2x41 n MET 175 Ca 0.07 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2x41 n MET 175 Cb 0.35 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 2x41 n MET 175 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2x41 n VAL 176 N -1.25 0.00 -2.08 2.03 0.31 -0.52 -4.81 118.33 112.01 2x41 n VAL 176 Ca 0.14 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.06 2x41 n VAL 176 Cb 0.20 -0.14 -0.02 0.00 -0.91 0.00 0.00 33.84 32.97 2x41 n VAL 176 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2x41 s VAL 177 N -1.04 2.75 -0.22 2.52 0.11 0.67 -4.68 120.40 120.51 2x41 s VAL 177 Ca 0.00 0.68 -0.21 0.00 -2.93 0.00 0.00 61.98 59.53 2x41 s VAL 177 Cb 0.00 -3.43 -0.02 0.00 -1.53 0.00 0.00 36.38 31.39 2x41 s VAL 177 CO 0.00 0.13 0.63 -0.62 -3.33 0.00 0.00 175.10 171.91 2x41 s ASP 178 N 0.00 6.63 -0.35 3.54 -1.08 0.18 -1.55 116.67 124.04 2x41 s ASP 178 Ca 0.54 0.77 -0.13 0.00 -0.52 0.00 0.00 52.55 53.22 2x41 s ASP 178 Cb -0.40 -2.34 -0.01 0.00 -1.46 0.00 0.00 42.92 38.70 2x41 s ASP 178 CO 0.47 -0.32 0.24 -0.89 0.52 0.00 0.00 175.17 175.19 2x41 s THR 179 N 2.18 5.24 -0.36 1.71 2.01 0.32 -1.23 115.64 125.52 2x41 s THR 179 Ca 0.27 -0.29 -0.12 0.00 0.31 0.00 0.00 61.69 61.87 2x41 s THR 179 Cb -0.16 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.64 2x41 s THR 179 CO 0.09 -0.04 0.22 -0.63 -0.69 0.00 0.00 174.62 173.57 2x41 s ILE 180 N 1.71 4.88 -0.03 1.82 -1.09 -0.12 -0.07 121.20 128.29 2x41 s ILE 180 Ca 0.06 -0.58 -0.02 0.00 -2.23 0.00 0.00 60.65 57.87 2x41 s ILE 180 Cb -0.18 -3.63 0.02 0.00 -1.58 0.00 0.00 42.46 37.10 2x41 s ILE 180 CO 0.10 -0.14 0.08 -0.69 -1.23 0.00 0.00 174.94 173.07 2x41 s VAL 181 N 1.63 -0.02 0.74 2.92 1.01 -1.26 -0.78 120.40 124.64 2x41 s VAL 181 Ca 0.04 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 2x41 s VAL 181 Cb -0.18 -0.13 0.04 0.00 0.00 0.00 0.00 36.38 36.11 2x41 s VAL 181 CO 0.08 0.03 1.12 -0.94 0.00 0.00 0.00 175.10 175.39 2x41 s SER 182 N 0.41 4.53 0.46 3.32 1.04 -1.26 -4.87 113.70 117.33 2x41 s SER 182 Ca -0.03 2.01 0.16 0.00 0.48 0.00 0.00 55.95 58.57 2x41 s SER 182 Cb -0.04 -2.55 1.08 0.00 0.10 0.00 0.00 66.02 64.61 2x41 s SER 182 CO -0.02 -2.02 2.02 -0.08 0.98 0.00 0.00 173.24 174.12 2x41 h GLU 183 N -0.62 0.00 -0.07 4.02 4.81 -1.99 -2.17 114.58 118.56 2x41 h GLU 183 Ca -0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 2x41 h GLU 183 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2x41 h GLU 183 CO 0.51 0.15 0.01 -0.09 -0.73 0.00 0.00 179.01 178.86 2x41 h ARG 184 N 0.00 0.12 -0.98 1.92 2.43 -1.91 -0.22 114.38 115.74 2x41 h ARG 184 Ca -0.00 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2x41 h ARG 184 Cb 0.28 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 2x41 h ARG 184 CO 0.02 0.35 0.65 0.00 -1.51 0.00 0.00 179.97 179.48 2x41 h ALA 185 N 0.76 1.30 0.25 2.80 0.00 -1.87 -0.22 119.26 122.29 2x41 h ALA 185 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2x41 h ALA 185 Cb 0.29 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2x41 h ALA 185 CO 0.00 0.65 -0.17 -0.07 0.00 0.00 0.00 179.25 179.66 2x41 h LEU 186 N 1.33 -0.43 -0.58 0.00 3.38 -1.19 -0.47 115.31 117.35 2x41 h LEU 186 Ca 0.36 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.21 2x41 h LEU 186 Cb -0.15 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2x41 h LEU 186 CO -0.08 -0.27 -0.50 0.03 0.09 0.00 0.00 178.44 177.71 2x41 h ARG 187 N -0.42 0.54 0.00 1.13 3.08 -0.66 0.41 114.38 118.47 2x41 h ARG 187 Ca -0.02 -0.32 -0.23 0.00 0.07 0.00 0.00 59.98 59.48 2x41 h ARG 187 Cb 0.36 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 2x41 h ARG 187 CO 0.01 0.92 -1.25 0.93 -1.07 0.00 0.00 179.97 179.52 2x41 h GLU 188 N 0.43 0.00 0.00 0.04 5.08 -1.07 -3.33 114.58 115.73 2x41 h GLU 188 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2x41 h GLU 188 Cb 1.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2x41 h GLU 188 CO 0.09 0.75 -0.17 -0.89 -1.00 0.00 0.00 179.01 177.79 2x41 n ILE 189 N -3.21 1.27 0.03 3.13 2.08 -0.21 -4.68 119.36 117.77 2x41 n ILE 189 Ca -0.06 0.36 -0.22 0.00 0.56 0.00 0.00 62.75 63.39 2x41 n ILE 189 Cb 0.96 -1.71 -0.14 0.00 -0.75 0.00 0.00 39.64 38.00 2x41 n ILE 189 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 2x41 h TYR 190 N -0.16 0.54 0.00 1.39 0.05 -1.23 -3.32 116.97 114.25 2x41 h TYR 190 Ca -0.00 -0.39 -0.12 0.00 0.05 0.00 0.00 58.73 58.27 2x41 h TYR 190 Cb 0.17 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 2x41 h TYR 190 CO -0.07 1.58 -0.56 -0.07 -1.05 0.00 0.00 178.16 177.99 2x41 h LEU 191 N -0.18 0.00 -0.88 3.88 3.38 -0.45 -3.38 115.31 117.68 2x41 h LEU 191 Ca -0.31 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.67 2x41 h LEU 191 Cb 1.86 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.57 2x41 h LEU 191 CO 0.10 0.56 0.58 -0.09 0.09 0.00 0.00 178.44 179.69 2x41 h ARG 192 N 0.00 1.15 -0.37 1.13 9.65 -1.66 0.20 114.38 124.48 2x41 h ARG 192 Ca -0.01 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.77 2x41 h ARG 192 Cb 1.23 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 29.54 2x41 h ARG 192 CO 0.07 0.76 0.08 0.78 2.80 0.00 0.00 179.97 184.47 2x41 h GLY 193 N 1.19 0.64 1.03 2.80 0.00 -1.73 -1.45 103.07 105.55 2x41 h GLY 193 Ca 0.33 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 2x41 h GLY 193 CO -0.08 0.38 0.44 0.74 0.00 0.00 0.00 176.54 178.02 2x41 h PHE 194 N 0.45 1.17 -0.37 5.60 0.04 -1.50 -1.02 116.94 121.32 2x41 h PHE 194 Ca 0.11 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.87 2x41 h PHE 194 Cb 0.31 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 2x41 h PHE 194 CO 0.02 0.83 0.18 1.49 -0.60 0.00 0.00 178.31 180.22 2x41 h GLU 195 N 1.18 0.36 -0.38 1.51 4.81 -0.32 0.20 114.58 121.94 2x41 h GLU 195 Ca 0.29 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.51 2x41 h GLU 195 Cb 0.06 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2x41 h GLU 195 CO -0.04 0.24 0.25 0.82 -0.73 0.00 0.00 179.01 179.54 2x41 h ILE 196 N 0.37 1.09 -0.34 2.32 2.04 -0.84 -1.86 117.51 120.29 2x41 h ILE 196 Ca 0.15 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2x41 h ILE 196 Cb 0.07 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2x41 h ILE 196 CO -0.11 0.09 0.12 0.00 0.00 0.00 0.00 178.15 178.26 2x41 h ALA 197 N 1.14 0.44 -0.68 1.87 0.00 -0.76 -1.18 119.26 120.08 2x41 h ALA 197 Ca 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x41 h ALA 197 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2x41 h ALA 197 CO -0.04 0.05 0.42 0.28 0.00 0.00 0.00 179.25 179.97 2x41 h VAL 198 N 0.39 1.19 0.05 0.00 2.07 -0.46 -0.90 116.25 118.61 2x41 h VAL 198 Ca 0.11 -0.41 -0.24 0.00 0.82 0.00 0.00 66.70 66.98 2x41 h VAL 198 Cb 0.21 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2x41 h VAL 198 CO -0.01 0.20 -1.12 0.11 0.02 0.00 0.00 177.57 176.77 2x41 h LYS 199 N 0.93 0.11 0.00 1.57 1.57 -1.25 -2.84 116.57 116.66 2x41 h LYS 199 Ca 0.25 -0.19 -0.32 0.00 -1.87 0.00 0.00 60.65 58.51 2x41 h LYS 199 Cb -0.04 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 2x41 h LYS 199 CO -0.05 1.08 -1.96 1.63 -0.57 0.00 0.00 179.45 179.59 2x41 n LYS 200 N -3.42 0.65 0.00 3.15 5.02 -0.46 -4.61 118.16 118.50 2x41 n LYS 200 Ca -0.04 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2x41 n LYS 200 Cb 0.98 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 2x41 n LYS 200 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2x41 n SER 201 N -2.94 0.01 -3.68 4.39 3.41 -0.35 -5.05 113.62 109.42 2x41 n SER 201 Ca -0.23 -0.47 -0.28 0.00 -0.26 0.00 0.00 58.87 57.63 2x41 n SER 201 Cb 1.09 0.92 0.03 0.00 -0.26 0.00 0.00 64.21 65.99 2x41 n SER 201 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2x41 n LYS 202 N -0.92 -1.16 -1.92 4.33 5.02 -1.07 -4.70 118.16 117.73 2x41 n LYS 202 Ca 0.00 0.59 -0.39 0.00 -2.02 0.00 0.00 58.31 56.50 2x41 n LYS 202 Cb 0.00 -3.76 0.02 0.00 -0.02 0.00 0.00 35.03 31.27 2x41 n LYS 202 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2x41 s PRO 203 N -5.60 3.51 0.41 1.97 0.04 -1.26 -4.89 135.00 129.18 2x41 s PRO 203 Ca 0.33 2.17 0.13 0.00 0.04 0.00 0.00 61.00 63.67 2x41 s PRO 203 Cb -0.13 -2.46 0.97 0.00 0.04 0.00 0.00 34.50 32.92 2x41 s PRO 203 CO 0.87 -0.87 1.92 -1.49 0.04 0.00 0.00 177.00 177.47 2x41 h TRP 204 N 1.96 0.58 -3.56 0.56 4.06 -1.90 -3.41 115.95 114.25 2x41 h TRP 204 Ca -0.50 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.38 2x41 h TRP 204 Cb 1.27 -0.18 -0.14 0.00 -1.00 0.00 0.00 29.16 29.10 2x41 h TRP 204 CO 0.49 0.23 -0.25 -1.54 -3.56 0.00 0.00 178.44 173.81 2x41 s SER 205 N -5.97 -0.04 -0.00 -3.49 1.04 -1.09 -1.86 113.70 102.28 2x41 s SER 205 Ca -0.08 -0.43 0.06 0.00 0.48 0.00 0.00 55.95 55.97 2x41 s SER 205 Cb 0.21 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.69 2x41 s SER 205 CO 0.77 -0.73 -0.20 -0.69 0.98 0.00 0.00 173.24 173.37 2x41 s VAL 206 N -3.49 1.60 -0.22 5.02 1.01 -0.73 -2.41 120.40 121.17 2x41 s VAL 206 Ca 0.02 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 2x41 s VAL 206 Cb 0.02 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2x41 s VAL 206 CO -0.09 0.39 0.07 -0.32 0.00 0.00 0.00 175.10 175.15 2x41 s MET 207 N -0.63 3.77 0.36 2.72 1.75 -0.53 -0.64 119.30 126.10 2x41 s MET 207 Ca 0.08 -0.43 -0.25 0.00 -1.25 0.00 0.00 55.69 53.83 2x41 s MET 207 Cb -0.08 -3.28 -0.09 0.00 2.84 0.00 0.00 34.83 34.22 2x41 s MET 207 CO -0.00 -0.02 1.04 -1.54 -0.65 0.00 0.00 175.02 173.85 2x41 s SER 208 N 1.16 6.95 0.70 1.11 1.04 0.18 -0.82 113.70 124.02 2x41 s SER 208 Ca 0.04 2.04 -0.11 0.00 0.48 0.00 0.00 55.95 58.40 2x41 s SER 208 Cb -0.14 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.39 2x41 s SER 208 CO 0.03 -0.36 1.07 0.00 0.98 0.00 0.00 173.24 174.97 2x41 s ALA 209 N -1.56 2.76 0.24 5.32 0.00 0.67 -2.12 121.76 127.07 2x41 s ALA 209 Ca 0.54 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.33 2x41 s ALA 209 Cb -0.23 -3.10 0.27 0.00 0.00 0.00 0.00 23.12 20.07 2x41 s ALA 209 CO 0.29 -1.16 1.75 1.88 0.00 0.00 0.00 175.76 178.53 2x41 h TYR 210 N -0.67 0.96 -4.34 0.00 0.05 -1.91 -3.36 116.97 107.71 2x41 h TYR 210 Ca -0.45 -0.12 -0.51 0.00 0.05 0.00 0.00 58.73 57.70 2x41 h TYR 210 Cb 1.23 -0.27 0.07 0.00 1.01 0.00 0.00 36.73 38.77 2x41 h TYR 210 CO 0.57 0.83 0.39 0.54 -1.05 0.00 0.00 178.16 179.45 2x41 s ASN 211 N -6.58 5.85 0.32 3.88 4.22 -0.95 -4.53 114.94 117.15 2x41 s ASN 211 Ca -0.10 1.53 -0.24 0.00 -2.14 0.00 0.00 52.86 51.90 2x41 s ASN 211 Cb 0.15 -2.48 -0.10 0.00 1.28 0.00 0.00 41.25 40.10 2x41 s ASN 211 CO 0.82 -1.13 0.90 -0.54 -2.04 0.00 0.00 177.10 175.12 2x41 s LYS 212 N -5.04 4.48 -0.24 3.55 1.02 -0.60 -2.03 119.74 120.88 2x41 s LYS 212 Ca 0.57 1.22 0.02 0.00 0.02 0.00 0.00 55.97 57.80 2x41 s LYS 212 Cb -0.12 -2.74 0.05 0.00 -0.52 0.00 0.00 37.83 34.49 2x41 s LYS 212 CO 0.53 0.27 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.93 2x41 s LEU 213 N -2.17 3.11 -1.44 3.17 2.96 0.45 -0.52 118.68 124.24 2x41 s LEU 213 Ca 0.50 -1.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.13 2x41 s LEU 213 Cb -0.17 -1.50 0.03 0.00 0.50 0.00 0.00 46.19 45.05 2x41 s LEU 213 CO 0.22 -0.16 0.61 0.59 -1.32 0.00 0.00 176.35 176.29 2x41 n ASN 214 N 4.49 -1.54 0.00 3.68 3.02 0.89 -2.68 115.26 123.12 2x41 n ASN 214 Ca -0.15 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 2x41 n ASN 214 Cb 0.44 -3.35 0.00 0.00 -0.61 0.00 0.00 39.78 36.26 2x41 n ASN 214 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x41 n GLY 215 N -1.77 2.29 3.10 7.41 0.00 -1.26 -5.05 105.19 109.90 2x41 n GLY 215 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 2x41 n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x41 s LYS 216 N -0.97 2.20 0.21 1.61 1.02 -1.09 -5.05 119.74 117.67 2x41 s LYS 216 Ca 0.00 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 2x41 s LYS 216 Cb 0.00 -1.74 -0.16 0.00 -0.52 0.00 0.00 37.83 35.42 2x41 s LYS 216 CO 0.00 0.09 0.93 0.66 -0.92 0.00 0.00 175.35 176.11 2x41 n TYR 217 N 3.69 0.79 -0.04 3.18 4.01 -1.26 -0.41 117.16 127.13 2x41 n TYR 217 Ca -0.21 0.79 0.04 0.00 -0.16 0.00 0.00 57.90 58.35 2x41 n TYR 217 Cb 0.52 -2.18 0.40 0.00 -0.31 0.00 0.00 39.34 37.78 2x41 n TYR 217 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2x41 n SER 219 N -4.47 0.04 -0.35 0.00 3.41 -1.26 -2.70 113.62 108.30 2x41 n SER 219 Ca 0.04 0.51 0.07 0.00 -0.26 0.00 0.00 58.87 59.23 2x41 n SER 219 Cb 0.08 -0.52 0.12 0.00 -0.26 0.00 0.00 64.21 63.63 2x41 n SER 219 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x41 n GLN 220 N -1.55 1.03 -3.51 4.33 6.02 0.04 -4.30 117.38 119.44 2x41 n GLN 220 Ca 0.05 -2.40 -0.42 0.00 -0.01 0.00 0.00 57.00 54.22 2x41 n GLN 220 Cb 0.25 -1.24 -0.08 0.00 1.02 0.00 0.00 30.24 30.18 2x41 n GLN 220 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2x41 s ASN 221 N -2.55 5.83 0.25 1.08 3.84 -0.17 -4.73 114.94 118.47 2x41 s ASN 221 Ca 0.28 -1.60 0.00 0.00 0.21 0.00 0.00 52.86 51.74 2x41 s ASN 221 Cb 0.25 -2.06 0.30 0.00 -0.55 0.00 0.00 41.25 39.19 2x41 s ASN 221 CO -0.01 -0.64 1.65 -0.08 -2.79 0.00 0.00 177.10 175.23 2x41 h GLU 222 N 8.55 0.53 -0.46 0.43 4.81 -1.89 -0.81 114.58 125.72 2x41 h GLU 222 Ca -0.24 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2x41 h GLU 222 Cb 1.09 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 2x41 h GLU 222 CO 0.84 0.80 0.28 2.35 -0.73 0.00 0.00 179.01 182.55 2x41 h TRP 223 N 0.45 0.61 -0.01 0.92 7.01 -1.92 0.17 115.95 123.18 2x41 h TRP 223 Ca 0.05 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 2x41 h TRP 223 Cb 0.80 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.66 2x41 h TRP 223 CO 0.03 0.43 -0.03 1.25 -2.79 0.00 0.00 178.44 177.32 2x41 h LEU 224 N 0.62 0.05 0.00 0.65 5.85 -1.87 -0.27 115.31 120.33 2x41 h LEU 224 Ca 0.17 -0.61 -0.18 0.00 0.84 0.00 0.00 57.88 58.10 2x41 h LEU 224 Cb -0.00 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2x41 h LEU 224 CO -0.03 0.65 -1.14 -0.07 -0.34 0.00 0.00 178.44 177.51 2x41 h LEU 225 N -0.54 0.00 0.00 2.25 3.38 -1.18 -2.48 115.31 116.74 2x41 h LEU 225 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2x41 h LEU 225 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2x41 h LEU 225 CO 0.01 0.71 -0.43 0.29 0.09 0.00 0.00 178.44 179.10 2x41 n LYS 226 N -3.09 0.23 0.17 1.13 5.02 -0.01 -3.90 118.16 117.71 2x41 n LYS 226 Ca -0.06 0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 2x41 n LYS 226 Cb 0.87 -0.85 -0.07 0.00 -0.02 0.00 0.00 35.03 34.96 2x41 n LYS 226 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2x41 h LYS 227 N -0.43 -0.51 0.10 1.97 1.57 -1.22 -0.47 116.57 117.58 2x41 h LYS 227 Ca 0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2x41 h LYS 227 Cb 0.43 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2x41 h LYS 227 CO 0.00 -0.34 -0.05 0.28 -0.57 0.00 0.00 179.45 178.77 2x41 h VAL 228 N -0.53 0.00 -0.07 0.50 2.07 -1.17 0.11 116.25 117.16 2x41 h VAL 228 Ca -0.01 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.83 2x41 h VAL 228 Cb 0.48 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 2x41 h VAL 228 CO -0.05 0.00 -0.17 0.25 0.02 0.00 0.00 177.57 177.62 2x41 h LEU 229 N -0.85 -0.53 0.00 2.57 5.85 -1.57 0.11 115.31 120.89 2x41 h LEU 229 Ca -0.01 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2x41 h LEU 229 Cb 0.10 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2x41 h LEU 229 CO 0.02 -0.23 -0.49 0.54 -0.34 0.00 0.00 178.44 177.94 2x41 n ARG 230 N -5.31 0.37 -0.23 1.25 3.00 -0.89 -1.64 116.66 113.22 2x41 n ARG 230 Ca -0.04 0.40 -0.06 0.00 -0.01 0.00 0.00 57.85 58.14 2x41 n ARG 230 Cb 0.23 -1.44 0.04 0.00 0.00 0.00 0.00 32.46 31.29 2x41 n ARG 230 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2x41 h GLU 231 N -0.79 0.87 0.00 5.56 5.08 -0.99 0.11 114.58 124.42 2x41 h GLU 231 Ca 0.00 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2x41 h GLU 231 Cb 0.49 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2x41 h GLU 231 CO 0.00 0.64 -0.16 0.93 -1.00 0.00 0.00 179.01 179.41 2x41 h GLU 232 N 0.86 0.00 0.00 2.33 5.08 -0.82 -3.40 114.58 118.63 2x41 h GLU 232 Ca 0.23 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 2x41 h GLU 232 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2x41 h GLU 232 CO -0.04 0.09 -0.46 -1.49 -1.00 0.00 0.00 179.01 176.11 2x41 h TRP 233 N -1.00 0.00 0.00 4.33 6.55 -0.98 -3.48 115.95 121.38 2x41 h TRP 233 Ca -0.01 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.83 2x41 h TRP 233 Cb 0.23 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.53 2x41 h TRP 233 CO -0.03 0.46 0.00 0.41 -1.05 0.00 0.00 178.44 178.23 2x41 n GLY 234 N 0.94 0.54 3.65 1.49 0.00 0.38 -4.85 105.19 107.34 2x41 n GLY 234 Ca 0.01 -0.84 -0.47 0.00 0.00 0.00 0.00 46.02 44.73 2x41 n GLY 234 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2x41 n PHE 235 N -3.36 2.10 0.41 1.61 7.35 -0.65 -4.89 117.46 120.04 2x41 n PHE 235 Ca 0.00 0.38 0.05 0.00 -0.76 0.00 0.00 57.45 57.11 2x41 n PHE 235 Cb 0.28 -2.48 0.03 0.00 0.35 0.00 0.00 39.48 37.66 2x41 n PHE 235 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2x41 n GLU 236 N 2.91 0.71 0.00 -4.13 1.02 -1.26 -4.74 120.64 115.15 2x41 n GLU 236 Ca 0.16 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 56.31 2x41 n GLU 236 Cb 0.28 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 2x41 n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x41 n GLY 237 N 0.61 1.38 3.35 0.62 0.00 -1.26 -4.87 105.19 105.03 2x41 n GLY 237 Ca 0.05 -1.75 -0.20 0.00 0.00 0.00 0.00 46.02 44.12 2x41 n GLY 237 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2x41 s PHE 238 N 1.66 1.78 -0.15 1.61 -0.12 -0.78 -4.84 117.98 117.14 2x41 s PHE 238 Ca 0.00 -0.53 -0.04 0.00 -0.05 0.00 0.00 56.93 56.31 2x41 s PHE 238 Cb 0.00 -0.83 -0.03 0.00 -0.63 0.00 0.00 43.02 41.53 2x41 s PHE 238 CO 0.00 0.38 -0.03 0.08 -0.05 0.00 0.00 175.22 175.61 2x41 s VAL 239 N -2.73 3.99 0.25 -2.49 1.01 -1.26 -1.78 120.40 117.39 2x41 s VAL 239 Ca 0.22 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 61.97 2x41 s VAL 239 Cb -0.02 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2x41 s VAL 239 CO 0.07 0.50 -0.04 0.00 0.00 0.00 0.00 175.10 175.64 2x41 s MET 240 N 0.25 2.20 0.39 2.72 0.23 0.19 -0.84 119.30 124.45 2x41 s MET 240 Ca -0.02 -1.40 -0.11 0.00 -1.03 0.00 0.00 55.69 53.13 2x41 s MET 240 Cb -0.14 -2.14 -0.07 0.00 -1.53 0.00 0.00 34.83 30.96 2x41 s MET 240 CO 0.03 0.38 0.76 -1.54 -2.03 0.00 0.00 175.02 172.62 2x41 s SER 241 N -3.46 6.55 0.87 -1.18 1.04 -0.42 -0.65 113.70 116.44 2x41 s SER 241 Ca 0.30 1.14 -0.11 0.00 0.48 0.00 0.00 55.95 57.76 2x41 s SER 241 Cb -0.07 -2.33 0.11 0.00 0.10 0.00 0.00 66.02 63.84 2x41 s SER 241 CO 0.18 -0.38 1.10 -0.62 0.98 0.00 0.00 173.24 174.50 2x41 s ASP 242 N -3.07 3.63 -0.27 7.02 -1.08 -0.90 -4.39 116.67 117.61 2x41 s ASP 242 Ca 0.51 1.74 -0.28 0.00 -0.52 0.00 0.00 52.55 54.00 2x41 s ASP 242 Cb -0.10 -2.38 -0.03 0.00 -1.46 0.00 0.00 42.92 38.94 2x41 s ASP 242 CO 0.30 -2.58 2.02 0.26 0.52 0.00 0.00 175.17 175.69 2x41 s TRP 243 N -2.85 1.48 0.00 -5.34 0.23 -1.26 -1.59 118.94 109.62 2x41 s TRP 243 Ca 0.63 0.58 0.00 0.00 -2.03 0.00 0.00 56.10 55.29 2x41 s TRP 243 Cb -0.19 -4.02 0.00 0.00 0.03 0.00 0.00 33.47 29.29 2x41 s TRP 243 CO 0.57 -3.53 0.00 0.66 0.96 0.00 0.00 176.95 175.61 2x41 n TYR 244 N 11.02 0.00 -1.12 -1.98 4.02 -0.43 -4.84 117.16 123.83 2x41 n TYR 244 Ca 0.26 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.83 2x41 n TYR 244 Cb 0.46 -0.37 0.12 0.00 -0.02 0.00 0.00 39.34 39.52 2x41 n TYR 244 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2x41 s ALA 245 N -2.02 1.92 0.00 -0.72 0.00 -0.62 -4.85 121.76 115.47 2x41 s ALA 245 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2x41 s ALA 245 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2x41 s ALA 245 CO 0.00 -2.15 0.00 0.41 0.00 0.00 0.00 175.76 174.02 2x41 n GLY 246 N -0.15 -2.17 0.00 0.00 0.00 -1.26 -4.87 105.19 96.75 2x41 n GLY 246 Ca 0.11 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2x41 n GLY 246 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x41 n ASP 247 N 0.30 0.00 -3.35 1.61 5.68 -1.26 -5.07 116.55 114.45 2x41 n ASP 247 Ca 0.00 -1.00 -0.10 0.00 -0.50 0.00 0.00 54.79 53.19 2x41 n ASP 247 Cb 0.00 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 2x41 n ASP 247 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2x41 s ASN 248 N 0.00 0.44 0.29 -1.12 3.84 -1.26 -5.04 114.94 112.10 2x41 s ASN 248 Ca 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 52.86 53.06 2x41 s ASN 248 Cb 0.00 1.03 0.45 0.00 -0.55 0.00 0.00 41.25 42.18 2x41 s ASN 248 CO 0.00 -0.32 1.84 -0.65 -2.79 0.00 0.00 177.10 175.17 2x41 h PRO 249 N 8.19 0.74 -0.07 0.43 0.11 -1.97 -1.68 132.00 137.75 2x41 h PRO 249 Ca -0.16 -0.16 -0.20 0.00 0.11 0.00 0.00 66.00 65.59 2x41 h PRO 249 Cb 1.14 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2x41 h PRO 249 CO 0.28 0.69 -0.78 -0.24 -0.21 0.00 0.00 178.00 177.74 2x41 h VAL 250 N 0.71 1.37 -0.45 3.15 3.04 -1.94 -2.40 116.25 119.73 2x41 h VAL 250 Ca 0.15 -2.19 -0.04 0.00 -1.01 0.00 0.00 66.70 63.61 2x41 h VAL 250 Cb 0.31 2.16 -0.02 0.00 -2.01 0.00 0.00 31.29 31.73 2x41 h VAL 250 CO 0.00 0.66 0.09 -0.33 -1.01 0.00 0.00 177.57 176.99 2x41 h GLU 251 N 0.30 0.67 -0.26 4.17 4.39 -1.90 -1.93 114.58 120.02 2x41 h GLU 251 Ca -0.04 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 2x41 h GLU 251 Cb 1.38 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2x41 h GLU 251 CO 0.14 0.62 0.14 1.96 -1.16 0.00 0.00 179.01 180.71 2x41 h GLN 252 N 0.65 0.37 -0.51 2.33 4.20 -1.01 -1.79 115.11 119.35 2x41 h GLN 252 Ca 0.15 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 2x41 h GLN 252 Cb 0.27 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2x41 h GLN 252 CO -0.00 0.33 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.31 2x41 h LEU 253 N 0.31 0.95 -1.60 1.46 3.38 -1.25 -0.15 115.31 118.42 2x41 h LEU 253 Ca 0.09 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2x41 h LEU 253 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2x41 h LEU 253 CO -0.01 1.07 -0.22 0.11 0.09 0.00 0.00 178.44 179.48 2x41 h LYS 254 N 0.85 0.00 0.00 1.13 1.57 -1.27 -2.52 116.57 116.33 2x41 h LYS 254 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2x41 h LYS 254 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2x41 h LYS 254 CO 0.05 0.22 -0.21 0.00 -0.57 0.00 0.00 179.45 178.93 2x41 n ALA 255 N -2.40 2.53 0.00 3.86 0.00 -0.68 -4.92 120.51 118.90 2x41 n ALA 255 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2x41 n ALA 255 Cb 0.30 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2x41 n ALA 255 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x41 n GLY 256 N 1.33 1.07 3.47 0.00 0.00 -0.95 -3.75 105.19 106.36 2x41 n GLY 256 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2x41 n GLY 256 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x41 s ASN 257 N -2.00 6.31 0.17 1.61 2.47 -0.11 -4.46 114.94 118.93 2x41 s ASN 257 Ca 0.00 -1.25 -0.05 0.00 0.42 0.00 0.00 52.86 51.98 2x41 s ASN 257 Cb 0.00 -2.43 0.05 0.00 -1.45 0.00 0.00 41.25 37.41 2x41 s ASN 257 CO 0.00 -1.38 1.46 0.44 -3.72 0.00 0.00 177.10 173.90 2x41 h ASP 258 N 9.44 0.68 -3.38 -4.21 3.32 -1.26 -3.33 116.42 117.68 2x41 h ASP 258 Ca -0.14 -0.38 -0.66 0.00 0.02 0.00 0.00 57.03 55.87 2x41 h ASP 258 Cb 1.05 -0.20 -0.36 0.00 0.22 0.00 0.00 39.33 40.05 2x41 h ASP 258 CO 1.19 1.12 -0.83 -0.22 -1.72 0.00 0.00 179.24 178.78 2x41 s LEU 259 N -8.33 2.53 -0.35 1.55 2.96 -0.34 -4.65 118.68 112.05 2x41 s LEU 259 Ca -0.08 -0.91 -0.21 0.00 -0.22 0.00 0.00 54.13 52.71 2x41 s LEU 259 Cb 0.11 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.36 2x41 s LEU 259 CO 0.85 -0.09 0.65 -0.63 -1.32 0.00 0.00 176.35 175.82 2x41 s ILE 260 N 1.26 4.87 0.20 6.68 1.01 0.22 -1.31 121.20 134.14 2x41 s ILE 260 Ca -0.00 0.64 0.11 0.00 0.00 0.00 0.00 60.65 61.39 2x41 s ILE 260 Cb -0.16 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 2x41 s ILE 260 CO -0.10 -0.32 -0.23 -0.04 0.00 0.00 0.00 174.94 174.26 2x41 s MET 261 N 2.75 1.51 0.00 2.79 -1.94 -1.26 -0.31 119.30 122.84 2x41 s MET 261 Ca 0.25 -1.55 0.30 0.00 -1.71 0.00 0.00 55.69 52.98 2x41 s MET 261 Cb -0.14 -1.77 1.45 0.00 2.01 0.00 0.00 34.83 36.37 2x41 s MET 261 CO 0.15 0.37 1.97 -0.35 -0.01 0.00 0.00 175.02 177.15 2x41 n PRO 262 N 0.12 1.17 0.00 2.03 -0.04 -1.26 -1.32 135.00 135.70 2x41 n PRO 262 Ca -0.11 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 2x41 n PRO 262 Cb 0.57 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 2x41 n PRO 262 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x41 n GLY 263 N 1.13 1.58 3.55 0.55 0.00 -1.25 -0.47 105.19 110.28 2x41 n GLY 263 Ca 0.20 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 2x41 n GLY 263 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x41 n LYS 264 N 1.52 -5.10 0.30 1.61 5.02 -1.26 -4.02 118.16 116.22 2x41 n LYS 264 Ca 0.00 0.73 0.16 0.00 -2.02 0.00 0.00 58.31 57.17 2x41 n LYS 264 Cb 0.00 -5.46 0.94 0.00 -0.02 0.00 0.00 35.03 30.50 2x41 n LYS 264 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x41 h ALA 265 N 0.78 1.48 -0.11 7.82 0.00 -1.93 -1.73 119.26 125.56 2x41 h ALA 265 Ca -0.61 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.34 2x41 h ALA 265 Cb 1.35 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2x41 h ALA 265 CO 0.52 0.00 0.11 0.10 0.00 0.00 0.00 179.25 179.99 2x41 h TYR 266 N 0.00 0.00 0.00 0.00 -0.00 -1.74 -0.24 116.97 114.99 2x41 h TYR 266 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2x41 h TYR 266 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2x41 h TYR 266 CO 0.00 0.00 -0.01 1.96 -0.00 0.00 0.00 178.16 180.11 2x41 h GLN 267 N 0.00 0.00 0.00 0.10 4.20 -1.67 -3.27 115.11 114.47 2x41 h GLN 267 Ca 0.05 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.63 2x41 h GLN 267 Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2x41 h GLN 267 CO -0.00 0.01 -1.51 0.28 -0.67 0.00 0.00 178.83 176.94 2x41 n VAL 268 N -3.11 0.51 -3.85 -0.54 0.31 -0.42 -4.96 118.33 106.27 2x41 n VAL 268 Ca -0.01 -0.26 -0.30 0.00 -0.01 0.00 0.00 64.34 63.77 2x41 n VAL 268 Cb 0.24 -0.82 -0.15 0.00 -0.91 0.00 0.00 33.84 32.19 2x41 n VAL 268 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2x41 s ASN 269 N -4.40 3.86 0.58 4.52 3.84 -0.24 -5.01 114.94 118.09 2x41 s ASN 269 Ca -0.08 -1.37 0.31 0.00 0.21 0.00 0.00 52.86 51.93 2x41 s ASN 269 Cb 0.03 -1.04 1.42 0.00 -0.55 0.00 0.00 41.25 41.11 2x41 s ASN 269 CO 0.26 -0.32 1.80 0.00 -2.79 0.00 0.00 177.10 176.04 2x41 h THR 270 N 6.58 0.35 -0.00 -5.21 1.03 -1.84 -0.60 112.91 113.22 2x41 h THR 270 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 2x41 h THR 270 Cb 1.06 0.48 0.00 0.00 -1.07 0.00 0.00 68.15 68.62 2x41 h THR 270 CO 0.43 0.00 -0.21 -0.62 -0.01 0.00 0.00 175.52 175.11 2x41 n GLU 271 N -3.81 0.06 -3.01 0.00 4.71 -1.26 -4.82 120.64 112.50 2x41 n GLU 271 Ca 0.15 -0.02 -0.39 0.00 -0.01 0.00 0.00 57.16 56.90 2x41 n GLU 271 Cb 0.95 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.82 2x41 n GLU 271 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2x41 s ARG 272 N -2.95 4.50 0.64 3.49 1.81 -0.23 -5.08 118.95 121.12 2x41 s ARG 272 Ca 0.14 1.09 -0.07 0.00 -1.72 0.00 0.00 55.73 55.17 2x41 s ARG 272 Cb 0.19 -3.18 0.02 0.00 -0.45 0.00 0.00 34.95 31.53 2x41 s ARG 272 CO 0.59 0.54 0.96 1.03 -0.68 0.00 0.00 175.30 177.74 2x41 s ARG 273 N -1.32 2.75 0.13 3.54 0.52 -1.26 -4.22 118.95 119.09 2x41 s ARG 273 Ca 0.37 0.03 -0.31 0.00 -0.52 0.00 0.00 55.73 55.30 2x41 s ARG 273 Cb -0.22 -2.20 -0.10 0.00 0.52 0.00 0.00 34.95 32.95 2x41 s ARG 273 CO 0.25 -0.88 1.72 0.34 0.02 0.00 0.00 175.30 176.74 2x41 s ASP 274 N -4.36 6.50 0.26 0.23 2.15 -1.26 -4.40 116.67 115.79 2x41 s ASP 274 Ca 0.56 2.68 -0.00 0.00 0.43 0.00 0.00 52.55 56.21 2x41 s ASP 274 Cb -0.11 -2.58 0.35 0.00 -0.30 0.00 0.00 42.92 40.29 2x41 s ASP 274 CO 0.46 -0.94 1.72 1.05 -0.17 0.00 0.00 175.17 177.30 2x41 h GLU 275 N 7.92 0.65 -0.50 4.34 9.09 -1.98 -1.86 114.58 132.24 2x41 h GLU 275 Ca -0.44 -0.22 0.01 0.00 0.05 0.00 0.00 59.36 58.77 2x41 h GLU 275 Cb 1.21 -0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 28.23 2x41 h GLU 275 CO 0.94 0.77 0.32 0.82 0.05 0.00 0.00 179.01 181.91 2x41 h ILE 276 N 0.59 1.10 -0.70 -1.06 2.04 -1.92 0.11 117.51 117.67 2x41 h ILE 276 Ca 0.10 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 2x41 h ILE 276 Cb 0.59 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2x41 h ILE 276 CO 0.04 0.12 0.27 -0.33 0.00 0.00 0.00 178.15 178.24 2x41 h GLU 277 N 0.65 1.05 -0.25 2.37 5.08 -1.88 0.00 114.58 121.60 2x41 h GLU 277 Ca 0.19 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2x41 h GLU 277 Cb -0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2x41 h GLU 277 CO -0.06 0.88 -0.04 1.49 -1.00 0.00 0.00 179.01 180.27 2x41 h GLU 278 N 1.00 0.47 -0.43 2.33 4.81 -0.98 -1.70 114.58 120.07 2x41 h GLU 278 Ca 0.23 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2x41 h GLU 278 Cb 0.23 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2x41 h GLU 278 CO -0.02 0.68 0.21 0.82 -0.73 0.00 0.00 179.01 179.97 2x41 h ILE 279 N 0.22 1.18 -0.67 2.32 2.04 -0.68 -1.12 117.51 120.81 2x41 h ILE 279 Ca 0.07 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.47 2x41 h ILE 279 Cb 0.50 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 2x41 h ILE 279 CO 0.02 0.19 0.39 0.24 0.00 0.00 0.00 178.15 179.00 2x41 h MET 280 N 0.56 0.73 -0.56 2.37 2.86 -0.95 -0.68 114.93 119.26 2x41 h MET 280 Ca 0.15 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 2x41 h MET 280 Cb 0.12 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 2x41 h MET 280 CO -0.02 0.48 0.25 1.49 1.06 0.00 0.00 176.91 180.17 2x41 h GLU 281 N 0.75 0.81 -0.95 1.72 4.81 -1.08 -1.49 114.58 119.14 2x41 h GLU 281 Ca 0.29 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2x41 h GLU 281 Cb 0.11 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 2x41 h GLU 281 CO -0.15 0.68 0.60 0.00 -0.73 0.00 0.00 179.01 179.42 2x41 h ALA 282 N 1.09 1.21 -0.61 2.92 0.00 -0.67 0.37 119.26 123.58 2x41 h ALA 282 Ca 0.19 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2x41 h ALA 282 Cb 0.15 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2x41 h ALA 282 CO -0.02 0.64 -0.00 -0.07 0.00 0.00 0.00 179.25 179.79 2x41 h LEU 283 N 1.31 1.05 -0.75 0.00 3.38 -0.87 0.12 115.31 119.55 2x41 h LEU 283 Ca 0.35 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2x41 h LEU 283 Cb -0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 2x41 h LEU 283 CO -0.07 1.10 -0.14 0.50 0.09 0.00 0.00 178.44 179.92 2x41 h LYS 284 N 0.98 0.80 -0.01 1.13 3.64 -0.60 -3.03 116.57 119.48 2x41 h LYS 284 Ca 0.17 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2x41 h LYS 284 Cb 0.57 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2x41 h LYS 284 CO 0.03 0.90 -0.16 0.39 -2.27 0.00 0.00 179.45 178.34 2x41 n GLU 285 N -4.15 1.20 -1.40 1.90 1.02 0.06 -4.94 120.64 114.34 2x41 n GLU 285 Ca 0.01 -0.72 -0.06 0.00 -0.02 0.00 0.00 57.16 56.37 2x41 n GLU 285 Cb 0.39 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 2x41 n GLU 285 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x41 n GLY 286 N 1.28 0.64 0.21 0.62 0.00 -0.48 -4.90 105.19 102.57 2x41 n GLY 286 Ca 0.15 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.50 2x41 n GLY 286 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x41 h LYS 287 N 0.00 0.00 -3.96 1.61 1.57 -1.10 -3.44 116.57 111.25 2x41 h LYS 287 Ca -0.12 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.30 2x41 h LYS 287 Cb 0.55 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 32.54 2x41 h LYS 287 CO 0.17 0.19 -0.76 -1.17 -0.57 0.00 0.00 179.45 177.31 2x41 s LEU 288 N -6.41 1.44 0.28 2.94 2.96 -1.00 -4.99 118.68 113.90 2x41 s LEU 288 Ca 0.04 -0.08 -0.13 0.00 -0.22 0.00 0.00 54.13 53.74 2x41 s LEU 288 Cb 0.08 -0.30 -0.08 0.00 0.50 0.00 0.00 46.19 46.38 2x41 s LEU 288 CO 0.66 -0.04 0.66 -0.94 -1.32 0.00 0.00 176.35 175.37 2x41 s SER 289 N 0.68 6.72 0.49 3.68 1.04 -1.26 -4.29 113.70 120.77 2x41 s SER 289 Ca -0.08 1.14 0.21 0.00 0.48 0.00 0.00 55.95 57.70 2x41 s SER 289 Cb -0.11 -2.32 1.27 0.00 0.10 0.00 0.00 66.02 64.96 2x41 s SER 289 CO -0.01 -0.14 2.06 -0.08 0.98 0.00 0.00 173.24 176.05 2x41 h GLU 290 N 2.42 0.00 -0.53 4.02 4.81 -1.99 -2.60 114.58 120.70 2x41 h GLU 290 Ca -0.47 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.65 2x41 h GLU 290 Cb 1.17 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2x41 h GLU 290 CO 0.67 0.13 -0.10 1.05 -0.73 0.00 0.00 179.01 180.03 2x41 h GLU 291 N 0.00 0.99 -0.29 1.92 9.09 -1.99 0.22 114.58 124.52 2x41 h GLU 291 Ca -0.00 -0.36 -0.00 0.00 0.05 0.00 0.00 59.36 59.05 2x41 h GLU 291 Cb 0.27 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.29 2x41 h GLU 291 CO 0.02 1.04 0.16 0.28 0.05 0.00 0.00 179.01 180.56 2x41 h VAL 292 N 0.89 1.12 -0.35 -1.06 2.07 -1.87 -1.76 116.25 115.28 2x41 h VAL 292 Ca 0.14 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.39 2x41 h VAL 292 Cb 0.65 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2x41 h VAL 292 CO 0.05 0.12 0.11 0.25 0.02 0.00 0.00 177.57 178.12 2x41 h LEU 293 N 0.36 0.10 -0.73 2.57 5.85 -1.27 -2.20 115.31 119.99 2x41 h LEU 293 Ca 0.10 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.93 2x41 h LEU 293 Cb 0.05 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 2x41 h LEU 293 CO -0.02 0.09 0.42 0.44 -0.34 0.00 0.00 178.44 179.03 2x41 h ASP 294 N 0.25 0.62 -0.62 1.25 3.32 -0.35 -0.53 116.42 120.35 2x41 h ASP 294 Ca 0.16 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 2x41 h ASP 294 Cb 0.15 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2x41 h ASP 294 CO -0.18 0.39 0.14 -0.08 -1.72 0.00 0.00 179.24 177.79 2x41 h GLU 295 N 0.75 1.00 -0.19 3.56 4.81 -0.94 0.67 114.58 124.23 2x41 h GLU 295 Ca 0.33 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2x41 h GLU 295 Cb 0.22 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2x41 h GLU 295 CO -0.20 0.91 0.09 0.00 -0.73 0.00 0.00 179.01 179.09 2x41 h VAL 297 N 0.18 1.19 -0.34 0.00 2.07 -0.95 -2.29 116.25 116.11 2x41 h VAL 297 Ca 0.07 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2x41 h VAL 297 Cb 0.14 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 2x41 h VAL 297 CO -0.01 0.20 -0.22 -0.09 0.02 0.00 0.00 177.57 177.47 2x41 h ARG 298 N 1.11 0.65 -0.73 1.57 2.43 -0.59 -0.91 114.38 117.91 2x41 h ARG 298 Ca 0.32 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2x41 h ARG 298 Cb -0.09 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 2x41 h ARG 298 CO -0.08 0.82 0.32 -0.91 -1.51 0.00 0.00 179.97 178.61 2x41 h ASN 299 N 0.57 0.97 -0.03 -3.80 2.35 -0.61 -0.20 115.58 114.82 2x41 h ASN 299 Ca 0.08 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2x41 h ASN 299 Cb 0.69 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2x41 h ASN 299 CO 0.05 0.84 -0.06 0.40 -1.65 0.00 0.00 177.43 177.01 2x41 h ILE 300 N 1.05 1.43 -0.40 2.81 2.04 -1.12 -3.29 117.51 120.02 2x41 h ILE 300 Ca 0.25 -1.35 -0.12 0.00 1.00 0.00 0.00 64.86 64.63 2x41 h ILE 300 Cb 0.15 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2x41 h ILE 300 CO -0.03 0.36 -0.25 -0.07 0.00 0.00 0.00 178.15 178.16 2x41 h LEU 301 N -0.42 0.85 -2.09 1.44 3.38 -1.08 -0.60 115.31 116.79 2x41 h LEU 301 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2x41 h LEU 301 Cb 0.62 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2x41 h LEU 301 CO 0.01 1.06 0.01 0.07 0.09 0.00 0.00 178.44 179.68 2x41 h LYS 302 N 0.71 0.00 0.00 1.13 2.10 -1.14 -1.19 116.57 118.18 2x41 h LYS 302 Ca 0.09 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.67 2x41 h LYS 302 Cb 0.79 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.11 2x41 h LYS 302 CO 0.07 0.00 -0.46 0.28 -2.00 0.00 0.00 179.45 177.33 2x41 h VAL 303 N 0.00 1.07 0.00 0.07 2.07 -1.57 -3.41 116.25 114.48 2x41 h VAL 303 Ca 0.00 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2x41 h VAL 303 Cb 0.02 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2x41 h VAL 303 CO -0.00 0.36 0.00 0.18 0.02 0.00 0.00 177.57 178.13 2x41 n LEU 304 N -4.58 0.46 0.10 2.57 4.77 -0.26 -2.17 117.00 117.90 2x41 n LEU 304 Ca -0.15 0.56 0.09 0.00 -0.03 0.00 0.00 56.01 56.48 2x41 n LEU 304 Cb 0.45 -0.44 0.43 0.00 -2.33 0.00 0.00 43.42 41.53 2x41 n LEU 304 CO 0.22 -0.21 0.79 1.33 -1.33 0.00 0.00 177.39 178.18 2x41 n VAL 305 N -1.95 1.04 1.20 4.08 0.24 -0.48 -0.78 118.33 121.67 2x41 n VAL 305 Ca 0.05 0.38 0.13 0.00 -2.04 0.00 0.00 64.34 62.86 2x41 n VAL 305 Cb 0.34 -1.30 0.27 0.00 -1.47 0.00 0.00 33.84 31.67 2x41 n VAL 305 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2x41 n ASN 306 N -2.02 2.19 -4.80 -1.34 3.02 -0.92 -4.79 115.26 106.58 2x41 n ASN 306 Ca 0.01 -1.67 -0.34 0.00 -0.03 0.00 0.00 54.58 52.55 2x41 n ASN 306 Cb 0.15 0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.34 2x41 n ASN 306 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x41 s ALA 307 N -2.09 2.89 0.26 5.41 0.00 0.04 -4.88 121.76 123.38 2x41 s ALA 307 Ca 0.30 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 2x41 s ALA 307 Cb 0.20 -3.23 0.40 0.00 0.00 0.00 0.00 23.12 20.49 2x41 s ALA 307 CO 0.36 -0.27 1.86 -1.35 0.00 0.00 0.00 175.76 176.36 2x41 h PRO 308 N 1.54 1.03 -0.17 0.00 0.11 -1.87 -2.00 132.00 130.63 2x41 h PRO 308 Ca -0.49 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.58 2x41 h PRO 308 Cb 1.21 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2x41 h PRO 308 CO 0.59 0.68 0.12 0.77 -0.21 0.00 0.00 178.00 179.95 2x41 h SER 309 N 1.06 0.09 0.45 -2.05 0.02 -1.91 -0.39 113.55 110.83 2x41 h SER 309 Ca 0.42 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.30 2x41 h SER 309 Cb 0.23 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2x41 h SER 309 CO -0.19 0.06 -0.33 0.15 -1.14 0.00 0.00 176.83 175.39 2x41 h PHE 310 N 0.11 0.00 -0.54 3.45 3.04 -1.60 -2.44 116.94 118.96 2x41 h PHE 310 Ca 0.08 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.92 2x41 h PHE 310 Cb 0.17 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.62 2x41 h PHE 310 CO -0.00 0.33 0.11 1.63 -2.02 0.00 0.00 178.31 178.35 2x41 n LYS 311 N -3.92 3.62 -3.36 1.11 5.02 -0.20 -4.95 118.16 115.49 2x41 n LYS 311 Ca -0.02 -3.06 -0.24 0.00 -2.02 0.00 0.00 58.31 52.98 2x41 n LYS 311 Cb 0.39 -2.10 0.01 0.00 -0.02 0.00 0.00 35.03 33.32 2x41 n LYS 311 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2x41 n ASN 312 N -0.16 -4.55 -4.67 4.39 3.02 -0.92 -4.83 115.26 107.54 2x41 n ASN 312 Ca 0.32 -0.42 -0.44 0.00 -0.03 0.00 0.00 54.58 54.01 2x41 n ASN 312 Cb 1.18 -3.71 -0.04 0.00 -0.61 0.00 0.00 39.78 36.61 2x41 n ASN 312 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x41 n TYR 313 N -4.21 2.48 -2.33 3.10 4.19 -0.90 -4.89 117.16 114.58 2x41 n TYR 313 Ca -0.03 -0.25 -0.37 0.00 3.31 0.00 0.00 57.90 60.57 2x41 n TYR 313 Cb 0.56 -2.76 -0.04 0.00 0.49 0.00 0.00 39.34 37.60 2x41 n TYR 313 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 2x41 s ARG 314 N 4.12 3.07 0.40 2.98 3.52 -1.26 -4.89 118.95 126.88 2x41 s ARG 314 Ca 0.89 -0.45 -0.24 0.00 -0.13 0.00 0.00 55.73 55.80 2x41 s ARG 314 Cb -0.51 -4.89 -0.09 0.00 -1.56 0.00 0.00 34.95 27.90 2x41 s ARG 314 CO 0.44 -2.61 1.07 1.52 -0.81 0.00 0.00 175.30 174.92 2x41 s TYR 315 N 7.19 3.24 -0.19 5.12 -0.85 -1.26 -4.97 117.35 125.64 2x41 s TYR 315 Ca 0.54 1.63 0.17 0.00 -0.52 0.00 0.00 57.07 58.89 2x41 s TYR 315 Cb -0.05 -3.18 0.06 0.00 0.38 0.00 0.00 41.96 39.17 2x41 s TYR 315 CO 0.02 -0.74 1.34 0.66 -1.52 0.00 0.00 175.55 175.31 2x41 h SER 316 N 2.56 0.00 -0.36 -0.18 4.64 -1.86 -3.47 113.55 114.87 2x41 h SER 316 Ca -0.48 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.68 2x41 h SER 316 Cb 1.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 2x41 h SER 316 CO 0.62 0.43 -0.14 0.59 -0.87 0.00 0.00 176.83 177.46 2x41 n ASN 317 N -3.13 -4.98 -3.20 4.97 5.03 0.22 -4.93 115.26 109.25 2x41 n ASN 317 Ca 0.00 0.19 -0.24 0.00 0.87 0.00 0.00 54.58 55.41 2x41 n ASN 317 Cb 0.72 -3.15 -0.07 0.00 -1.02 0.00 0.00 39.78 36.26 2x41 n ASN 317 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2x41 n LYS 318 N -1.37 0.63 -1.70 3.52 5.02 -1.26 -4.93 118.16 118.07 2x41 n LYS 318 Ca -0.08 -3.13 -0.33 0.00 -2.02 0.00 0.00 58.31 52.75 2x41 n LYS 318 Cb 0.43 -1.30 0.05 0.00 -0.02 0.00 0.00 35.03 34.19 2x41 n LYS 318 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2x41 s PRO 319 N -0.88 2.73 -1.11 1.97 0.04 -1.26 -4.92 135.00 131.57 2x41 s PRO 319 Ca 0.35 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.55 2x41 s PRO 319 Cb 0.15 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.77 2x41 s PRO 319 CO -0.13 -1.31 1.69 0.34 0.04 0.00 0.00 177.00 177.64 2x41 s ASP 320 N -2.63 6.17 0.16 6.66 3.68 -1.26 -4.80 116.67 124.65 2x41 s ASP 320 Ca 0.67 -1.67 -0.13 0.00 2.13 0.00 0.00 52.55 53.55 2x41 s ASP 320 Cb -0.20 -2.57 0.05 0.00 -1.45 0.00 0.00 42.92 38.74 2x41 s ASP 320 CO 0.43 -1.84 1.70 -0.07 0.13 0.00 0.00 175.17 175.52 2x41 h LEU 321 N 14.29 0.75 -0.79 -1.34 3.38 -1.97 -2.08 115.31 127.55 2x41 h LEU 321 Ca 0.26 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2x41 h LEU 321 Cb 0.95 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 2x41 h LEU 321 CO 1.37 0.73 0.49 -0.33 0.09 0.00 0.00 178.44 180.80 2x41 h GLU 322 N 0.73 0.89 -0.22 1.13 3.07 -2.00 0.43 114.58 118.61 2x41 h GLU 322 Ca 0.18 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 2x41 h GLU 322 Cb 0.23 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2x41 h GLU 322 CO -0.01 0.59 -0.21 -0.22 -1.40 0.00 0.00 179.01 177.76 2x41 h LYS 323 N 0.91 0.38 0.01 2.33 3.64 -1.92 -2.93 116.57 119.00 2x41 h LYS 323 Ca 0.34 -0.12 -0.19 0.00 -1.27 0.00 0.00 60.65 59.40 2x41 h LYS 323 Cb 0.12 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2x41 h LYS 323 CO -0.15 0.58 -0.87 0.45 -2.27 0.00 0.00 179.45 177.19 2x41 h HIS 324 N 0.35 0.18 -0.64 1.91 3.86 -0.35 -3.07 115.15 117.39 2x41 h HIS 324 Ca 0.06 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 2x41 h HIS 324 Cb 0.57 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 2x41 h HIS 324 CO 0.01 0.93 0.33 0.00 0.86 0.00 0.00 177.93 180.06 2x41 h ALA 325 N 1.04 1.37 -0.16 2.45 0.00 -0.06 -1.02 119.26 122.89 2x41 h ALA 325 Ca -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2x41 h ALA 325 Cb 1.51 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2x41 h ALA 325 CO 0.13 0.50 0.07 0.87 0.00 0.00 0.00 179.25 180.82 2x41 h LYS 326 N 0.90 0.23 -0.77 0.00 1.57 -1.44 -1.15 116.57 115.91 2x41 h LYS 326 Ca 0.23 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 2x41 h LYS 326 Cb 0.06 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 2x41 h LYS 326 CO -0.03 0.28 0.47 0.28 -0.57 0.00 0.00 179.45 179.88 2x41 h VAL 327 N 0.12 1.04 -0.96 0.50 2.07 -1.39 -0.72 116.25 116.91 2x41 h VAL 327 Ca 0.05 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.31 2x41 h VAL 327 Cb 0.13 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 2x41 h VAL 327 CO -0.01 0.16 0.63 0.00 0.02 0.00 0.00 177.57 178.37 2x41 h ALA 328 N 1.36 1.38 -0.17 1.67 0.00 -0.90 -1.36 119.26 121.24 2x41 h ALA 328 Ca 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2x41 h ALA 328 Cb 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2x41 h ALA 328 CO -0.15 0.54 0.02 -0.92 0.00 0.00 0.00 179.25 178.73 2x41 h TYR 329 N 1.22 0.31 -0.86 0.00 3.20 -0.15 -2.32 116.97 118.36 2x41 h TYR 329 Ca 0.38 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.25 2x41 h TYR 329 Cb -0.01 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 2x41 h TYR 329 CO -0.00 0.47 0.54 0.93 -1.64 0.00 0.00 178.16 178.45 2x41 h GLU 330 N 0.06 0.97 -0.10 1.82 4.39 -0.79 0.35 114.58 121.28 2x41 h GLU 330 Ca 0.05 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2x41 h GLU 330 Cb 0.33 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2x41 h GLU 330 CO 0.01 0.64 0.02 0.00 -1.16 0.00 0.00 179.01 178.52 2x41 h ALA 331 N 1.39 0.13 -0.47 3.43 0.00 -1.15 -2.12 119.26 120.48 2x41 h ALA 331 Ca 0.37 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2x41 h ALA 331 Cb 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2x41 h ALA 331 CO -0.16 -0.23 0.09 0.78 0.00 0.00 0.00 179.25 179.72 2x41 h GLY 332 N -0.05 0.77 1.40 0.00 0.00 -1.18 -2.37 103.07 101.65 2x41 h GLY 332 Ca 0.03 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 2x41 h GLY 332 CO 0.00 0.42 0.16 0.00 0.00 0.00 0.00 176.54 177.12 2x41 h ALA 333 N 1.41 1.32 -0.01 3.60 0.00 -0.64 -2.30 119.26 122.64 2x41 h ALA 333 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2x41 h ALA 333 Cb 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2x41 h ALA 333 CO 0.00 0.49 -0.16 0.39 0.00 0.00 0.00 179.25 179.97 2x41 n GLU 334 N -4.31 1.23 -0.00 0.00 1.02 -0.82 -4.13 120.64 113.62 2x41 n GLU 334 Ca 0.04 -0.76 0.08 0.00 -0.02 0.00 0.00 57.16 56.49 2x41 n GLU 334 Cb 0.19 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.02 2x41 n GLU 334 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x41 n GLY 335 N 1.28 -0.58 3.75 0.62 0.00 -0.90 -3.07 105.19 106.30 2x41 n GLY 335 Ca 0.15 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 2x41 n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x41 s VAL 336 N -2.75 2.16 -0.20 1.61 1.01 -1.00 -4.63 120.40 116.60 2x41 s VAL 336 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 2x41 s VAL 336 Cb 0.11 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 2x41 s VAL 336 CO 0.65 0.02 -0.04 -0.69 0.00 0.00 0.00 175.10 175.04 2x41 s VAL 337 N -0.08 3.59 -0.41 2.92 1.01 -0.48 -2.15 120.40 124.81 2x41 s VAL 337 Ca 0.62 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.91 2x41 s VAL 337 Cb -0.47 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.32 2x41 s VAL 337 CO 0.48 0.44 0.89 -0.22 0.00 0.00 0.00 175.10 176.69 2x41 s LEU 338 N 1.10 4.05 -0.10 3.92 2.96 -1.26 0.29 118.68 129.63 2x41 s LEU 338 Ca 0.02 0.30 0.15 0.00 -0.22 0.00 0.00 54.13 54.38 2x41 s LEU 338 Cb -0.15 -3.16 -0.24 0.00 0.50 0.00 0.00 46.19 43.14 2x41 s LEU 338 CO 0.00 -0.91 0.42 0.18 -1.32 0.00 0.00 176.35 174.72 2x41 n LEU 339 N 6.85 0.50 -3.70 -0.68 4.77 -0.15 -0.55 117.00 124.03 2x41 n LEU 339 Ca 0.06 0.24 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 2x41 n LEU 339 Cb 0.48 0.30 -0.10 0.00 -2.33 0.00 0.00 43.42 41.78 2x41 n LEU 339 CO 0.60 0.42 0.13 -0.60 -1.33 0.00 0.00 177.39 176.60 2x41 s ARG 340 N -2.58 0.50 -0.39 3.23 3.52 -1.09 -4.89 118.95 117.26 2x41 s ARG 340 Ca -0.07 0.73 0.05 0.00 -0.13 0.00 0.00 55.73 56.32 2x41 s ARG 340 Cb 0.07 0.16 0.17 0.00 -1.56 0.00 0.00 34.95 33.79 2x41 s ARG 340 CO 0.83 -0.10 0.50 1.21 -0.81 0.00 0.00 175.30 176.93 2x41 s ASN 341 N 0.71 -0.12 -1.22 -2.12 2.47 -1.23 -0.58 114.94 112.86 2x41 s ASN 341 Ca -0.04 -1.24 -0.10 0.00 0.42 0.00 0.00 52.86 51.90 2x41 s ASN 341 Cb -0.05 1.22 0.20 0.00 -1.45 0.00 0.00 41.25 41.17 2x41 s ASN 341 CO -0.05 -0.21 1.61 -0.62 -3.72 0.00 0.00 177.10 174.10 2x41 n GLU 342 N 4.27 3.63 -3.83 0.43 -0.58 0.11 -4.59 120.64 120.08 2x41 n GLU 342 Ca 0.12 -3.85 -0.25 0.00 -0.42 0.00 0.00 57.16 52.75 2x41 n GLU 342 Cb 0.51 -2.88 0.02 0.00 -0.57 0.00 0.00 31.44 28.51 2x41 n GLU 342 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2x41 n GLU 343 N 4.08 -4.59 -0.02 3.49 1.02 -1.26 -4.89 120.64 118.47 2x41 n GLU 343 Ca 0.36 0.55 -0.01 0.00 -0.02 0.00 0.00 57.16 58.03 2x41 n GLU 343 Cb 0.38 -5.09 -0.03 0.00 -0.02 0.00 0.00 31.44 26.68 2x41 n GLU 343 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2x41 n ALA 344 N -4.40 1.93 -2.60 0.62 0.00 -1.26 -5.05 120.51 109.75 2x41 n ALA 344 Ca -0.21 -0.24 -0.17 0.00 0.00 0.00 0.00 53.44 52.82 2x41 n ALA 344 Cb 0.64 0.13 -0.11 0.00 0.00 0.00 0.00 19.45 20.10 2x41 n ALA 344 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2x41 s LEU 345 N -4.17 2.34 0.71 0.00 1.43 -1.26 -4.20 118.68 113.52 2x41 s LEU 345 Ca -0.02 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.25 2x41 s LEU 345 Cb 0.01 -0.47 0.01 0.00 0.03 0.00 0.00 46.19 45.78 2x41 s LEU 345 CO 0.16 -0.14 1.07 -2.16 0.23 0.00 0.00 176.35 175.51 2x41 s PRO 346 N -2.25 2.85 0.44 1.29 0.04 -1.26 -5.00 135.00 131.11 2x41 s PRO 346 Ca 0.03 0.70 -0.25 0.00 0.04 0.00 0.00 61.00 61.52 2x41 s PRO 346 Cb -0.07 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 2x41 s PRO 346 CO 0.02 -1.10 1.31 -0.51 0.04 0.00 0.00 177.00 176.76 2x41 s LEU 347 N -5.48 4.12 0.62 -3.56 1.43 0.02 -4.97 118.68 110.86 2x41 s LEU 347 Ca 0.58 2.67 -0.19 0.00 -1.03 0.00 0.00 54.13 56.16 2x41 s LEU 347 Cb -0.13 -4.01 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 2x41 s LEU 347 CO 0.54 -1.02 1.28 -0.44 0.23 0.00 0.00 176.35 176.94 2x41 s SER 348 N -0.82 4.83 0.29 2.29 0.01 -1.26 -4.78 113.70 114.27 2x41 s SER 348 Ca 0.61 2.59 -0.30 0.00 1.31 0.00 0.00 55.95 60.16 2x41 s SER 348 Cb -0.38 -2.62 -0.11 0.00 0.21 0.00 0.00 66.02 63.12 2x41 s SER 348 CO 0.48 -1.85 1.53 -0.70 0.41 0.00 0.00 173.24 173.11 2x41 s GLU 349 N -3.30 4.17 -0.82 12.44 2.12 -1.26 -2.18 118.70 129.86 2x41 s GLU 349 Ca 0.80 2.49 0.00 0.00 0.36 0.00 0.00 54.97 58.62 2x41 s GLU 349 Cb -0.36 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 30.99 2x41 s GLU 349 CO 0.39 -0.54 0.00 0.09 -0.54 0.00 0.00 175.26 174.66 2x41 n ASN 350 N 1.92 -4.62 -4.75 -1.70 3.02 -1.26 -4.97 115.26 102.89 2x41 n ASN 350 Ca 0.06 0.19 -0.41 0.00 -0.03 0.00 0.00 54.58 54.39 2x41 n ASN 350 Cb 0.39 -2.80 -0.02 0.00 -0.61 0.00 0.00 39.78 36.73 2x41 n ASN 350 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2x41 s SER 351 N -2.53 6.64 -0.39 6.41 0.15 -0.93 -4.81 113.70 118.25 2x41 s SER 351 Ca 0.00 2.68 -0.28 0.00 0.70 0.00 0.00 55.95 59.05 2x41 s SER 351 Cb 0.00 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 2x41 s SER 351 CO 0.00 -0.71 1.06 -0.54 1.20 0.00 0.00 173.24 174.25 2x41 s LYS 352 N -0.44 3.89 -0.23 5.44 1.02 -1.25 -4.14 119.74 124.04 2x41 s LYS 352 Ca 0.59 0.77 -0.10 0.00 0.02 0.00 0.00 55.97 57.25 2x41 s LYS 352 Cb -0.42 -3.81 -0.05 0.00 -0.52 0.00 0.00 37.83 33.03 2x41 s LYS 352 CO 0.44 -1.08 0.14 0.42 -0.92 0.00 0.00 175.35 174.35 2x41 s ILE 353 N 3.89 5.33 -0.51 2.17 1.01 0.11 -0.50 121.20 132.69 2x41 s ILE 353 Ca 0.44 0.17 -0.19 0.00 0.00 0.00 0.00 60.65 61.07 2x41 s ILE 353 Cb -0.10 -3.47 0.06 0.00 0.01 0.00 0.00 42.46 38.96 2x41 s ILE 353 CO 0.22 0.38 0.65 0.00 0.00 0.00 0.00 174.94 176.19 2x41 s ALA 354 N 0.83 3.37 -0.25 9.38 0.00 -0.15 -0.88 121.76 134.06 2x41 s ALA 354 Ca 0.07 -1.73 -0.21 0.00 0.00 0.00 0.00 51.96 50.10 2x41 s ALA 354 Cb -0.13 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 2x41 s ALA 354 CO 0.02 -2.05 0.66 -1.17 0.00 0.00 0.00 175.76 173.23 2x41 s LEU 355 N 2.73 4.07 0.33 0.00 2.96 -1.26 -1.83 118.68 125.68 2x41 s LEU 355 Ca 0.16 0.78 0.08 0.00 -0.22 0.00 0.00 54.13 54.93 2x41 s LEU 355 Cb -0.19 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 2x41 s LEU 355 CO 0.12 -0.38 0.11 -0.36 -1.32 0.00 0.00 176.35 174.52 2x41 s PHE 356 N 2.48 2.69 0.00 5.38 0.40 0.21 -4.85 117.98 124.30 2x41 s PHE 356 Ca 0.28 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 2x41 s PHE 356 Cb -0.15 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.81 2x41 s PHE 356 CO 0.08 0.40 0.00 0.41 0.70 0.00 0.00 175.22 176.81 2x41 n GLY 357 N -1.09 -0.73 0.26 4.36 0.00 -1.26 -1.66 105.19 105.06 2x41 n GLY 357 Ca -0.04 -1.17 0.17 0.00 0.00 0.00 0.00 46.02 44.99 2x41 n GLY 357 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2x41 h THR 358 N 0.00 0.00 0.00 2.61 1.35 -1.94 -1.97 112.91 112.96 2x41 h THR 358 Ca 0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2x41 h THR 358 Cb 0.00 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2x41 h THR 358 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2x41 n GLY 359 N -0.62 -1.21 0.30 5.82 0.00 -1.26 -1.14 105.19 107.08 2x41 n GLY 359 Ca -0.01 0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.23 2x41 n GLY 359 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2x41 h GLN 360 N 0.00 0.00 0.00 1.61 3.07 -1.60 -2.38 115.11 115.81 2x41 h GLN 360 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.62 2x41 h GLN 360 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.88 2x41 h GLN 360 CO 0.00 0.04 -1.43 -0.89 0.09 0.00 0.00 178.83 176.64 2x41 n ILE 361 N -3.44 0.42 -1.73 1.86 5.41 -0.88 -0.65 119.36 120.36 2x41 n ILE 361 Ca -0.02 -0.13 -0.36 0.00 1.00 0.00 0.00 62.75 63.23 2x41 n ILE 361 Cb 0.15 -1.25 -0.03 0.00 -0.71 0.00 0.00 39.64 37.81 2x41 n ILE 361 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2x41 n GLU 362 N -3.08 3.96 -2.15 0.38 1.02 -0.29 -4.84 120.64 115.64 2x41 n GLU 362 Ca -0.14 -2.91 -0.42 0.00 -0.02 0.00 0.00 57.16 53.67 2x41 n GLU 362 Cb 0.62 -2.56 -0.03 0.00 -0.02 0.00 0.00 31.44 29.46 2x41 n GLU 362 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2x41 s THR 363 N -0.56 3.13 -0.33 2.62 2.01 -0.90 -4.56 115.64 117.05 2x41 s THR 363 Ca 0.59 0.87 -0.23 0.00 0.31 0.00 0.00 61.69 63.23 2x41 s THR 363 Cb 0.22 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 69.18 2x41 s THR 363 CO -0.10 0.10 0.75 -0.63 -0.69 0.00 0.00 174.62 174.05 2x41 s ILE 364 N 0.57 4.79 -0.21 1.82 -1.09 -1.26 -4.92 121.20 120.90 2x41 s ILE 364 Ca 0.61 0.97 0.22 0.00 -2.23 0.00 0.00 60.65 60.22 2x41 s ILE 364 Cb -0.38 -4.15 -0.03 0.00 -1.58 0.00 0.00 42.46 36.32 2x41 s ILE 364 CO 0.35 -0.32 0.99 2.29 -1.23 0.00 0.00 174.94 177.02 2x41 n LYS 365 N 6.24 0.61 -3.85 2.79 2.85 -1.26 -4.28 118.16 121.26 2x41 n LYS 365 Ca 0.02 0.13 0.04 0.00 -1.05 0.00 0.00 58.31 57.46 2x41 n LYS 365 Cb 0.48 -1.82 0.01 0.00 -0.65 0.00 0.00 35.03 33.05 2x41 n LYS 365 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2x41 s GLY 366 N -4.44 -0.33 0.75 2.58 0.00 -1.26 -1.09 107.32 103.54 2x41 s GLY 366 Ca -0.01 0.47 -0.08 0.00 0.00 0.00 0.00 44.72 45.10 2x41 s GLY 366 CO 0.80 4.28 1.07 -0.32 0.00 0.00 0.00 173.10 178.93 2x41 s GLY 367 N -3.59 1.70 0.38 0.20 0.00 -1.26 -4.87 107.32 99.88 2x41 s GLY 367 Ca 0.26 -1.04 0.04 0.00 0.00 0.00 0.00 44.72 43.97 2x41 s GLY 367 CO -0.04 -0.56 0.55 -0.51 0.00 0.00 0.00 173.10 172.54 2x41 s THR 368 N -3.35 4.15 0.00 0.90 -4.23 -0.66 -4.22 115.64 108.23 2x41 s THR 368 Ca 0.63 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 2x41 s THR 368 Cb -0.09 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.27 2x41 s THR 368 CO 0.46 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 2x41 n GLY 369 N -1.82 -0.12 0.26 3.99 0.00 -1.26 -2.01 105.19 104.24 2x41 n GLY 369 Ca -0.00 -2.12 0.18 0.00 0.00 0.00 0.00 46.02 44.07 2x41 n GLY 369 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2x41 h SER 370 N 0.00 0.00 -0.45 1.61 4.64 -1.95 -2.06 113.55 115.34 2x41 h SER 370 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x41 h SER 370 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2x41 h SER 370 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2x41 n GLY 371 N -0.55 2.30 3.93 -0.77 0.00 -1.26 -4.57 105.19 104.28 2x41 n GLY 371 Ca -0.01 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 2x41 n GLY 371 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x41 s ASP 372 N -0.67 3.16 0.14 1.61 -1.08 -0.78 -4.22 116.67 114.82 2x41 s ASP 372 Ca 0.38 0.24 -0.11 0.00 -0.52 0.00 0.00 52.55 52.54 2x41 s ASP 372 Cb 0.27 -0.29 0.01 0.00 -1.46 0.00 0.00 42.92 41.45 2x41 s ASP 372 CO 0.15 -2.70 0.30 0.42 0.52 0.00 0.00 175.17 173.86 2x41 s THR 373 N -3.86 0.09 -0.59 1.71 -4.23 -1.26 -4.62 115.64 102.86 2x41 s THR 373 Ca 0.74 -1.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.20 2x41 s THR 373 Cb -0.04 -1.52 0.17 0.00 1.34 0.00 0.00 72.50 72.45 2x41 s THR 373 CO 0.53 -0.40 0.43 -1.00 -0.54 0.00 0.00 174.62 173.64 2x41 s HIS 374 N -3.89 2.66 0.67 3.99 0.09 -1.26 -5.07 115.29 112.47 2x41 s HIS 374 Ca 0.09 -2.96 -0.11 0.00 -0.00 0.00 0.00 55.06 52.08 2x41 s HIS 374 Cb 0.03 -2.06 -0.01 0.00 -0.00 0.00 0.00 32.58 30.54 2x41 s HIS 374 CO -0.06 -0.65 1.05 -2.14 -0.00 0.00 0.00 174.74 172.94 2x41 s PRO 375 N -0.87 3.11 0.32 8.40 0.02 -1.26 -3.74 135.00 140.97 2x41 s PRO 375 Ca 0.27 0.93 0.02 0.00 0.02 0.00 0.00 61.00 62.25 2x41 s PRO 375 Cb -0.02 -2.01 0.54 0.00 0.02 0.00 0.00 34.50 33.02 2x41 s PRO 375 CO -0.17 -0.96 1.87 -0.09 -0.33 0.00 0.00 177.00 177.32 2x41 h ARG 376 N -0.54 0.66 -3.99 5.54 2.43 -1.95 -3.45 114.38 113.09 2x41 h ARG 376 Ca -0.44 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 58.49 2x41 h ARG 376 Cb 1.21 -0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.52 2x41 h ARG 376 CO 0.58 0.62 -0.42 1.52 -1.51 0.00 0.00 179.97 180.76 2x41 s TYR 377 N -5.13 0.43 -0.11 2.20 1.13 -1.26 -5.14 117.35 109.46 2x41 s TYR 377 Ca -0.09 -0.82 -0.04 0.00 -1.41 0.00 0.00 57.07 54.71 2x41 s TYR 377 Cb 0.16 -0.16 0.05 0.00 -1.10 0.00 0.00 41.96 40.91 2x41 s TYR 377 CO 0.78 -0.62 0.10 0.00 -2.51 0.00 0.00 175.55 173.30 2x41 s ALA 378 N -3.95 0.22 -0.38 9.51 0.00 -1.26 -4.66 121.76 121.24 2x41 s ALA 378 Ca 0.15 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.86 2x41 s ALA 378 Cb 0.05 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.32 2x41 s ALA 378 CO -0.03 -0.84 1.18 0.42 0.00 0.00 0.00 175.76 176.49 2x41 s ILE 379 N 2.19 4.27 0.97 0.00 -1.09 0.68 -5.01 121.20 123.20 2x41 s ILE 379 Ca 0.04 1.39 -0.12 0.00 -2.23 0.00 0.00 60.65 59.73 2x41 s ILE 379 Cb -0.14 -4.41 0.17 0.00 -1.58 0.00 0.00 42.46 36.51 2x41 s ILE 379 CO -0.07 -0.69 1.10 -0.94 -1.23 0.00 0.00 174.94 173.12 2x41 s SER 380 N 2.38 2.88 0.22 3.58 1.04 -1.26 -0.68 113.70 121.87 2x41 s SER 380 Ca 0.50 1.20 -0.06 0.00 0.48 0.00 0.00 55.95 58.07 2x41 s SER 380 Cb -0.11 -1.86 0.19 0.00 0.10 0.00 0.00 66.02 64.34 2x41 s SER 380 CO 0.24 -2.97 1.69 0.40 0.98 0.00 0.00 173.24 173.58 2x41 h ILE 381 N -1.78 1.26 -0.00 -1.02 2.04 -1.77 -1.15 117.51 115.08 2x41 h ILE 381 Ca -0.53 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.22 2x41 h ILE 381 Cb 1.32 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2x41 h ILE 381 CO 0.58 0.40 0.00 0.25 0.00 0.00 0.00 178.15 179.37 2x41 h LEU 382 N 0.86 0.00 -1.34 1.44 5.85 -1.23 -2.26 115.31 118.63 2x41 h LEU 382 Ca 0.16 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.64 2x41 h LEU 382 Cb 0.53 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 2x41 h LEU 382 CO 0.03 0.30 0.49 -0.33 -0.34 0.00 0.00 178.44 178.59 2x41 h GLU 383 N -0.29 0.78 -0.42 1.25 5.08 -1.78 0.05 114.58 119.25 2x41 h GLU 383 Ca 0.00 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2x41 h GLU 383 Cb 0.30 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2x41 h GLU 383 CO 0.00 0.52 -0.01 0.78 -1.00 0.00 0.00 179.01 179.30 2x41 h GLY 384 N 0.80 0.80 1.30 -3.84 0.00 -1.09 0.29 103.07 101.34 2x41 h GLY 384 Ca 0.32 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 2x41 h GLY 384 CO -0.11 0.55 -0.00 -2.22 0.00 0.00 0.00 176.54 174.75 2x41 h ILE 385 N 0.57 1.25 -0.37 2.60 2.04 -0.76 -2.10 117.51 120.73 2x41 h ILE 385 Ca 0.12 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 2x41 h ILE 385 Cb 0.49 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2x41 h ILE 385 CO 0.02 0.37 0.14 0.11 0.00 0.00 0.00 178.15 178.79 2x41 h LYS 386 N 0.78 0.56 -0.88 2.37 1.57 -0.78 -1.69 116.57 118.50 2x41 h LYS 386 Ca 0.15 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2x41 h LYS 386 Cb 0.48 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 2x41 h LYS 386 CO 0.02 0.55 0.49 1.49 -0.57 0.00 0.00 179.45 181.43 2x41 h GLU 387 N 0.46 1.23 0.00 3.15 4.81 -0.69 -0.95 114.58 122.59 2x41 h GLU 387 Ca 0.12 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2x41 h GLU 387 Cb 0.20 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2x41 h GLU 387 CO -0.01 0.89 0.00 0.54 -0.73 0.00 0.00 179.01 179.70 2x41 n ARG 388 N -4.36 0.70 -2.66 1.92 5.12 -0.81 -4.89 116.66 111.68 2x41 n ARG 388 Ca 0.09 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.86 2x41 n ARG 388 Cb 0.09 -1.50 0.02 0.00 -1.16 0.00 0.00 32.46 29.91 2x41 n ARG 388 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2x41 n GLY 389 N 1.07 -0.17 3.80 -0.13 0.00 -0.36 -4.99 105.19 104.41 2x41 n GLY 389 Ca 0.19 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2x41 n GLY 389 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x41 s LEU 390 N -4.64 3.79 -0.59 0.99 1.43 -0.66 -4.98 118.68 114.02 2x41 s LEU 390 Ca 0.16 1.85 -0.26 0.00 -1.03 0.00 0.00 54.13 54.85 2x41 s LEU 390 Cb -0.07 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.64 2x41 s LEU 390 CO 0.20 -0.77 1.07 0.20 0.23 0.00 0.00 176.35 177.28 2x41 s ASN 391 N -2.22 6.35 0.30 2.29 0.01 -1.26 -4.81 114.94 115.61 2x41 s ASN 391 Ca 0.65 -0.23 0.06 0.00 -0.71 0.00 0.00 52.86 52.64 2x41 s ASN 391 Cb -0.15 -2.49 -0.06 0.00 0.41 0.00 0.00 41.25 38.96 2x41 s ASN 391 CO 0.22 -1.40 -0.03 0.72 -1.51 0.00 0.00 177.10 175.11 2x41 s PHE 392 N 4.51 2.02 -0.80 2.20 -0.12 -1.26 0.05 117.98 124.58 2x41 s PHE 392 Ca 0.35 -0.74 -0.25 0.00 -0.05 0.00 0.00 56.93 56.24 2x41 s PHE 392 Cb -0.10 -1.21 -0.00 0.00 -0.63 0.00 0.00 43.02 41.07 2x41 s PHE 392 CO 0.21 0.26 1.68 0.34 -0.05 0.00 0.00 175.22 177.66 2x41 s ASP 393 N -3.48 5.66 0.33 1.98 3.68 -0.06 -4.79 116.67 119.98 2x41 s ASP 393 Ca 0.31 -0.47 0.02 0.00 2.13 0.00 0.00 52.55 54.55 2x41 s ASP 393 Cb 0.05 -2.55 0.60 0.00 -1.45 0.00 0.00 42.92 39.57 2x41 s ASP 393 CO 0.13 -2.20 1.94 -0.33 0.13 0.00 0.00 175.17 174.84 2x41 h GLU 394 N 11.87 0.90 0.38 4.34 3.07 -1.97 -0.97 114.58 132.19 2x41 h GLU 394 Ca -0.07 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 2x41 h GLU 394 Cb 1.06 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 2x41 h GLU 394 CO 1.27 0.60 -0.24 1.49 -1.40 0.00 0.00 179.01 180.73 2x41 h GLU 395 N 0.93 -0.57 -0.71 2.33 4.22 -2.00 -2.35 114.58 116.42 2x41 h GLU 395 Ca 0.35 0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.89 2x41 h GLU 395 Cb 0.18 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 2x41 h GLU 395 CO -0.12 -0.38 0.41 1.25 -2.18 0.00 0.00 179.01 177.99 2x41 h LEU 396 N -0.59 0.62 -0.36 1.64 5.85 -1.72 -1.83 115.31 118.91 2x41 h LEU 396 Ca -0.04 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2x41 h LEU 396 Cb 0.49 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2x41 h LEU 396 CO 0.04 0.40 0.20 0.00 -0.34 0.00 0.00 178.44 178.74 2x41 h ALA 397 N 1.36 0.45 -0.96 1.25 0.00 -1.09 -0.81 119.26 119.47 2x41 h ALA 397 Ca 0.32 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.24 2x41 h ALA 397 Cb 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2x41 h ALA 397 CO -0.18 -0.16 0.63 0.87 0.00 0.00 0.00 179.25 180.41 2x41 h LYS 398 N 0.40 1.24 -0.62 0.00 1.57 -0.97 0.64 116.57 118.83 2x41 h LYS 398 Ca 0.15 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2x41 h LYS 398 Cb 0.03 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.02 2x41 h LYS 398 CO -0.09 0.82 0.37 1.15 -0.57 0.00 0.00 179.45 181.13 2x41 h THR 399 N 1.28 1.04 -0.41 -0.16 2.02 -0.66 0.07 112.91 116.09 2x41 h THR 399 Ca 0.36 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 67.24 2x41 h THR 399 Cb -0.12 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 2x41 h THR 399 CO -0.08 0.13 0.03 1.88 0.37 0.00 0.00 175.52 177.84 2x41 h TYR 400 N 0.71 0.76 -0.65 3.16 -1.99 -0.44 -0.88 116.97 117.63 2x41 h TYR 400 Ca 0.26 -0.12 0.03 0.00 2.00 0.00 0.00 58.73 60.89 2x41 h TYR 400 Cb 0.08 -0.20 -0.04 0.00 2.00 0.00 0.00 36.73 38.56 2x41 h TYR 400 CO -0.06 0.76 0.41 0.93 -0.00 0.00 0.00 178.16 180.19 2x41 h GLU 401 N 0.54 0.78 -0.21 4.88 5.08 -0.46 -0.99 114.58 124.20 2x41 h GLU 401 Ca 0.12 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 2x41 h GLU 401 Cb 0.44 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2x41 h GLU 401 CO 0.02 0.52 -0.44 -0.44 -1.00 0.00 0.00 179.01 177.66 2x41 h ASP 402 N 0.81 0.55 -0.20 1.42 3.32 -0.87 -2.72 116.42 118.73 2x41 h ASP 402 Ca 0.26 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2x41 h ASP 402 Cb 0.01 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2x41 h ASP 402 CO -0.10 0.92 -0.07 0.22 -1.72 0.00 0.00 179.24 178.49 2x41 h TYR 403 N 0.42 0.45 0.10 4.55 3.20 -0.64 -1.21 116.97 123.83 2x41 h TYR 403 Ca 0.03 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 2x41 h TYR 403 Cb 0.94 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2x41 h TYR 403 CO 0.04 0.66 -0.05 0.82 -1.64 0.00 0.00 178.16 177.99 2x41 h ILE 404 N 0.10 0.92 -0.87 1.81 2.04 -1.23 0.07 117.51 120.35 2x41 h ILE 404 Ca 0.05 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.92 2x41 h ILE 404 Cb 0.53 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 2x41 h ILE 404 CO 0.02 0.01 0.55 0.11 0.00 0.00 0.00 178.15 178.84 2x41 h LYS 405 N -0.15 1.00 -0.74 2.37 1.57 -1.50 0.32 116.57 119.45 2x41 h LYS 405 Ca -0.01 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2x41 h LYS 405 Cb 0.11 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 2x41 h LYS 405 CO 0.02 0.66 0.45 -0.22 -0.57 0.00 0.00 179.45 179.79 2x41 h LYS 406 N 1.03 1.00 -0.09 3.15 3.64 -0.95 -2.82 116.57 121.53 2x41 h LYS 406 Ca 0.36 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.55 2x41 h LYS 406 Cb 0.10 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2x41 h LYS 406 CO -0.15 0.70 -0.35 0.52 -2.27 0.00 0.00 179.45 177.91 2x41 h MET 407 N 1.00 0.40 0.00 1.90 2.86 0.14 -3.04 114.93 118.20 2x41 h MET 407 Ca 0.26 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2x41 h MET 407 Cb -0.04 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2x41 h MET 407 CO -0.05 0.94 0.00 0.54 1.06 0.00 0.00 176.91 179.40 2x41 n ARG 408 N -4.38 0.04 0.01 1.72 5.12 0.10 -1.26 116.66 118.00 2x41 n ARG 408 Ca -0.08 0.32 -0.11 0.00 -1.93 0.00 0.00 57.85 56.05 2x41 n ARG 408 Cb 0.51 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 30.18 2x41 n ARG 408 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2x41 h GLU 409 N 0.00 0.07 -7.19 5.56 4.22 -1.38 -3.36 114.58 112.51 2x41 h GLU 409 Ca 0.00 -0.12 -0.52 0.00 0.08 0.00 0.00 59.36 58.80 2x41 h GLU 409 Cb 0.11 0.05 0.12 0.00 0.50 0.00 0.00 28.75 29.53 2x41 h GLU 409 CO 0.00 0.77 0.38 -0.08 -2.18 0.00 0.00 179.01 177.89 2x41 s THR 410 N -2.62 2.90 0.23 0.32 -1.32 -0.39 -4.81 115.64 109.96 2x41 s THR 410 Ca -0.06 0.43 -0.08 0.00 -1.21 0.00 0.00 61.69 60.77 2x41 s THR 410 Cb 0.08 -2.95 0.21 0.00 -1.51 0.00 0.00 72.50 68.32 2x41 s THR 410 CO 0.82 -0.25 1.89 -0.33 -2.21 0.00 0.00 174.62 174.54 2x41 h GLU 411 N -0.10 1.09 -0.04 7.08 4.39 -1.92 -0.83 114.58 124.25 2x41 h GLU 411 Ca -0.47 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.05 2x41 h GLU 411 Cb 1.26 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 2x41 h GLU 411 CO 0.52 0.72 -0.51 1.49 -1.16 0.00 0.00 179.01 180.08 2x41 h GLU 412 N 1.13 0.11 -0.06 2.33 4.81 -1.92 -3.30 114.58 117.67 2x41 h GLU 412 Ca 0.33 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2x41 h GLU 412 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2x41 h GLU 412 CO -0.10 0.59 0.00 0.66 -0.73 0.00 0.00 179.01 179.43 2x41 n TYR 413 N -3.94 0.08 -2.72 0.92 4.01 -1.13 -4.80 117.16 109.58 2x41 n TYR 413 Ca -0.02 -0.23 -0.35 0.00 -0.16 0.00 0.00 57.90 57.14 2x41 n TYR 413 Cb 0.53 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.49 2x41 n TYR 413 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2x41 s LYS 414 N -0.65 4.24 0.14 -0.72 -2.85 -0.33 -4.44 119.74 115.13 2x41 s LYS 414 Ca 0.07 1.27 -0.31 0.00 -1.00 0.00 0.00 55.97 56.00 2x41 s LYS 414 Cb 0.04 -2.38 -0.09 0.00 -2.06 0.00 0.00 37.83 33.34 2x41 s LYS 414 CO 0.06 -0.04 1.55 -2.14 0.10 0.00 0.00 175.35 174.88 2x41 s PRO 415 N -2.80 4.23 0.00 1.78 0.02 -1.26 -4.66 135.00 132.31 2x41 s PRO 415 Ca 0.59 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.92 2x41 s PRO 415 Cb -0.15 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.13 2x41 s PRO 415 CO 0.19 -0.60 0.00 0.54 -0.33 0.00 0.00 177.00 176.80 2x41 n ARG 416 N 4.24 3.75 -4.49 5.54 3.00 -0.82 -4.95 116.66 122.92 2x41 n ARG 416 Ca 0.14 0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.65 2x41 n ARG 416 Cb 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.69 2x41 n ARG 416 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2x41 s ARG 417 N 2.16 3.01 -0.74 5.56 1.81 -1.26 -2.59 118.95 126.90 2x41 s ARG 417 Ca 0.00 -0.84 -0.17 0.00 -1.72 0.00 0.00 55.73 52.99 2x41 s ARG 417 Cb 0.00 -2.48 0.15 0.00 -0.45 0.00 0.00 34.95 32.17 2x41 s ARG 417 CO 0.00 -0.08 0.80 -1.50 -0.68 0.00 0.00 175.30 173.85 2x41 s ILE 423 N 0.97 5.08 0.02 1.52 2.07 -1.26 -5.20 121.20 124.40 2x41 s ILE 423 Ca -0.03 -1.64 0.05 0.00 -1.41 0.00 0.00 60.65 57.62 2x41 s ILE 423 Cb -0.15 -4.54 -0.03 0.00 0.13 0.00 0.00 42.46 37.87 2x41 s ILE 423 CO -0.05 -1.16 -0.12 0.27 -1.91 0.00 0.00 174.94 171.96 2x41 s ILE 424 N 1.79 3.23 -0.34 2.00 -5.25 -1.07 -5.10 121.20 116.47 2x41 s ILE 424 Ca 0.18 -0.98 -0.05 0.00 -0.99 0.00 0.00 60.65 58.80 2x41 s ILE 424 Cb -0.16 -2.39 0.05 0.00 2.95 0.00 0.00 42.46 42.91 2x41 s ILE 424 CO -0.02 0.36 0.09 -0.54 -1.79 0.00 0.00 174.94 173.04 2x41 s LYS 425 N -1.44 2.56 0.23 0.37 1.02 -1.26 -1.95 119.74 119.26 2x41 s LYS 425 Ca 0.16 -1.23 -0.30 0.00 0.02 0.00 0.00 55.97 54.62 2x41 s LYS 425 Cb -0.11 -3.42 -0.15 0.00 -0.52 0.00 0.00 37.83 33.64 2x41 s LYS 425 CO 0.07 -0.68 1.07 -2.30 -0.92 0.00 0.00 175.35 172.58 2x41 n PRO 426 N 4.77 1.24 -2.04 -1.68 -0.02 -1.26 -4.84 135.00 131.17 2x41 n PRO 426 Ca -0.12 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 2x41 n PRO 426 Cb 0.44 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 2x41 n PRO 426 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2x41 s LYS 427 N -0.97 4.23 0.35 -0.52 2.20 -1.26 -4.95 119.74 118.81 2x41 s LYS 427 Ca 0.65 2.20 -0.26 0.00 -0.36 0.00 0.00 55.97 58.21 2x41 s LYS 427 Cb -0.77 -3.57 -0.10 0.00 -1.51 0.00 0.00 37.83 31.88 2x41 s LYS 427 CO 0.56 -0.67 0.99 -0.51 -0.36 0.00 0.00 175.35 175.36 2x41 s LEU 428 N 2.49 4.28 0.27 5.43 1.43 -1.26 -5.02 118.68 126.29 2x41 s LEU 428 Ca 0.70 1.94 -0.30 0.00 -1.03 0.00 0.00 54.13 55.44 2x41 s LEU 428 Cb -0.37 -4.05 -0.10 0.00 0.03 0.00 0.00 46.19 41.70 2x41 s LEU 428 CO 0.30 -0.22 1.45 -2.84 0.23 0.00 0.00 176.35 175.27 2x41 s PRO 429 N -2.18 4.25 0.00 1.29 0.02 -1.26 -4.94 135.00 132.18 2x41 s PRO 429 Ca 0.52 2.33 0.16 0.00 0.02 0.00 0.00 61.00 64.03 2x41 s PRO 429 Cb -0.21 -3.09 -0.13 0.00 0.02 0.00 0.00 34.50 31.09 2x41 s PRO 429 CO 0.26 -0.43 0.70 0.39 -0.33 0.00 0.00 177.00 177.60 2x41 n GLU 430 N 2.11 1.86 -1.56 5.54 -0.58 -1.26 -4.60 120.64 122.14 2x41 n GLU 430 Ca 0.06 -0.19 -0.34 0.00 -0.42 0.00 0.00 57.16 56.27 2x41 n GLU 430 Cb 0.40 -1.24 0.06 0.00 -0.57 0.00 0.00 31.44 30.09 2x41 n GLU 430 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2x41 n ASN 431 N -1.07 7.25 -0.22 1.62 6.94 -1.26 -4.66 115.26 123.85 2x41 n ASN 431 Ca 0.04 -3.79 0.14 0.00 -0.02 0.00 0.00 54.58 50.94 2x41 n ASN 431 Cb 0.26 -0.90 0.67 0.00 -2.36 0.00 0.00 39.78 37.46 2x41 n ASN 431 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 2x41 n PHE 432 N -0.81 0.03 -3.61 -2.53 1.16 -1.26 -4.82 117.46 105.62 2x41 n PHE 432 Ca 0.58 -0.01 -0.37 0.00 -1.87 0.00 0.00 57.45 55.78 2x41 n PHE 432 Cb 0.62 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.43 2x41 n PHE 432 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2x41 s LEU 433 N -1.87 4.43 0.56 5.98 1.02 -1.26 -5.08 118.68 122.46 2x41 s LEU 433 Ca 0.39 0.81 -0.18 0.00 0.02 0.00 0.00 54.13 55.17 2x41 s LEU 433 Cb 0.20 -2.56 -0.05 0.00 0.02 0.00 0.00 46.19 43.80 2x41 s LEU 433 CO 0.32 0.31 1.11 -0.55 0.02 0.00 0.00 176.35 177.55 2x41 s SER 434 N -1.23 5.69 0.40 2.29 0.15 -1.26 -4.90 113.70 114.83 2x41 s SER 434 Ca 0.24 2.07 0.10 0.00 0.70 0.00 0.00 55.95 59.06 2x41 s SER 434 Cb -0.15 -2.57 0.89 0.00 -1.71 0.00 0.00 66.02 62.48 2x41 s SER 434 CO 0.13 -1.24 1.98 -0.08 1.20 0.00 0.00 173.24 175.23 2x41 h GLU 435 N 0.94 0.56 0.09 5.44 4.81 -1.98 -1.31 114.58 123.13 2x41 h GLU 435 Ca -0.49 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 58.45 2x41 h GLU 435 Cb 1.25 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2x41 h GLU 435 CO 0.57 0.37 -1.18 0.87 -0.73 0.00 0.00 179.01 178.91 2x41 h LYS 436 N 0.57 0.18 -0.87 1.92 1.57 -2.00 -3.14 116.57 114.80 2x41 h LYS 436 Ca 0.28 -0.31 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2x41 h LYS 436 Cb 0.36 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 2x41 h LYS 436 CO -0.09 1.14 0.57 0.93 -0.57 0.00 0.00 179.45 181.43 2x41 h GLU 437 N 0.05 1.08 -0.01 3.15 5.08 -1.63 -2.38 114.58 119.92 2x41 h GLU 437 Ca -0.10 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 2x41 h GLU 437 Cb 1.91 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.90 2x41 h GLU 437 CO 0.18 0.71 -0.64 0.82 -1.00 0.00 0.00 179.01 179.08 2x41 h ILE 438 N 1.11 1.45 -0.99 3.13 2.04 -1.44 -2.50 117.51 120.31 2x41 h ILE 438 Ca 0.34 -2.18 0.05 0.00 1.00 0.00 0.00 64.86 64.07 2x41 h ILE 438 Cb -0.02 2.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.17 2x41 h ILE 438 CO -0.11 0.63 0.64 -0.74 0.00 0.00 0.00 178.15 178.57 2x41 h HIS 439 N 0.02 1.20 -0.11 1.37 2.76 -1.39 -1.08 115.15 117.93 2x41 h HIS 439 Ca -0.01 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.22 2x41 h HIS 439 Cb 1.14 -0.40 -0.03 0.00 1.55 0.00 0.00 27.41 29.68 2x41 h HIS 439 CO 0.00 0.67 -0.05 0.87 -1.30 0.00 0.00 177.93 178.12 2x41 h LYS 440 N 1.22 -0.04 -0.94 5.26 1.79 -1.00 -2.50 116.57 120.35 2x41 h LYS 440 Ca 0.40 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.93 2x41 h LYS 440 Cb 0.05 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.65 2x41 h LYS 440 CO -0.14 -0.03 0.61 -0.07 -1.08 0.00 0.00 179.45 178.75 2x41 h LEU 441 N -0.04 0.97 -1.17 2.94 -0.00 -1.18 -1.68 115.31 115.15 2x41 h LEU 441 Ca 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.89 2x41 h LEU 441 Cb 0.13 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.57 2x41 h LEU 441 CO -0.14 0.63 0.01 0.00 -0.00 0.00 0.00 178.44 178.94 2x41 h ALA 442 N 1.48 1.32 0.04 1.53 0.00 -0.80 -0.38 119.26 122.45 2x41 h ALA 442 Ca 0.40 -0.21 -0.26 0.00 0.00 0.00 0.00 54.91 54.84 2x41 h ALA 442 Cb 0.15 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2x41 h ALA 442 CO -0.15 0.47 -1.08 0.87 0.00 0.00 0.00 179.25 179.36 2x41 h LYS 443 N 0.56 0.53 -0.14 0.00 1.57 -1.07 -3.35 116.57 114.67 2x41 h LYS 443 Ca 0.12 -0.63 -0.23 0.00 -1.87 0.00 0.00 60.65 58.04 2x41 h LYS 443 Cb 0.35 0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.86 2x41 h LYS 443 CO 0.01 1.25 -0.80 -0.22 -0.57 0.00 0.00 179.45 179.12 2x41 h LYS 444 N 0.27 0.78 -6.27 3.15 3.64 -1.00 -3.47 116.57 113.67 2x41 h LYS 444 Ca -0.13 -0.65 -0.47 0.00 -1.27 0.00 0.00 60.65 58.14 2x41 h LYS 444 Cb 1.73 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.68 2x41 h LYS 444 CO 0.20 1.25 -0.37 -0.80 -2.27 0.00 0.00 179.45 177.46 2x41 s ASN 445 N -7.12 5.48 -0.14 4.20 0.01 -0.18 -5.00 114.94 112.19 2x41 s ASN 445 Ca -0.10 -0.45 -0.08 0.00 -0.71 0.00 0.00 52.86 51.52 2x41 s ASN 445 Cb 0.09 -0.90 -0.25 0.00 0.41 0.00 0.00 41.25 40.60 2x41 s ASN 445 CO 0.91 -0.51 0.31 0.47 -1.51 0.00 0.00 177.10 176.76 2x41 n ASP 446 N -1.57 2.10 -4.03 -1.22 8.00 0.34 -4.84 116.55 115.33 2x41 n ASP 446 Ca 0.02 0.21 -0.08 0.00 0.71 0.00 0.00 54.79 55.64 2x41 n ASP 446 Cb 0.60 -0.85 -0.11 0.00 -0.02 0.00 0.00 41.12 40.74 2x41 n ASP 446 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2x41 s VAL 447 N -2.54 0.16 -0.09 2.53 -7.23 -0.84 -4.23 120.40 108.16 2x41 s VAL 447 Ca -0.24 -1.32 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 2x41 s VAL 447 Cb 0.07 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 36.14 2x41 s VAL 447 CO 0.74 -0.73 -0.00 0.00 -0.31 0.00 0.00 175.10 174.80 2x41 s ALA 448 N -2.58 3.25 -0.16 1.32 0.00 -0.85 -0.97 121.76 121.78 2x41 s ALA 448 Ca -0.05 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2x41 s ALA 448 Cb -0.02 -1.49 0.05 0.00 0.00 0.00 0.00 23.12 21.66 2x41 s ALA 448 CO -0.05 0.55 -0.01 0.08 0.00 0.00 0.00 175.76 176.32 2x41 s VAL 449 N -0.74 0.80 -0.18 0.00 1.01 -0.76 -0.28 120.40 120.25 2x41 s VAL 449 Ca 0.12 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2x41 s VAL 449 Cb -0.12 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2x41 s VAL 449 CO 0.02 0.04 0.00 -0.63 0.00 0.00 0.00 175.10 174.54 2x41 s ILE 450 N 1.76 4.14 -0.25 2.22 1.01 0.25 -0.62 121.20 129.71 2x41 s ILE 450 Ca 0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 2x41 s ILE 450 Cb -0.15 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 2x41 s ILE 450 CO -0.07 0.46 0.23 -0.69 0.00 0.00 0.00 174.94 174.87 2x41 s VAL 451 N 0.60 5.30 -0.21 2.92 1.01 -0.66 0.44 120.40 129.79 2x41 s VAL 451 Ca -0.00 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 2x41 s VAL 451 Cb -0.14 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2x41 s VAL 451 CO 0.02 0.28 -0.05 -0.63 0.00 0.00 0.00 175.10 174.73 2x41 s ILE 452 N 1.41 3.38 -0.02 2.22 -1.09 -0.38 -4.43 121.20 122.30 2x41 s ILE 452 Ca 0.10 -0.49 0.04 0.00 -2.23 0.00 0.00 60.65 58.07 2x41 s ILE 452 Cb -0.15 -2.53 -0.03 0.00 -1.58 0.00 0.00 42.46 38.17 2x41 s ILE 452 CO 0.07 0.43 -0.14 -0.44 -1.23 0.00 0.00 174.94 173.63 2x41 s SER 453 N 1.37 4.04 0.01 3.58 0.01 -1.26 -0.42 113.70 121.03 2x41 s SER 453 Ca 0.04 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.06 2x41 s SER 453 Cb -0.14 -0.82 -0.01 0.00 0.21 0.00 0.00 66.02 65.26 2x41 s SER 453 CO -0.03 0.31 -0.03 -0.13 0.41 0.00 0.00 173.24 173.78 2x41 s ARG 454 N -1.00 0.23 0.10 12.44 1.81 -0.66 -4.98 118.95 126.90 2x41 s ARG 454 Ca 0.13 -0.28 0.05 0.00 -1.72 0.00 0.00 55.73 53.91 2x41 s ARG 454 Cb -0.11 -0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.27 2x41 s ARG 454 CO 0.03 0.02 -0.12 -1.50 -0.68 0.00 0.00 175.30 173.04 2x41 s ILE 455 N -0.56 1.14 0.36 1.52 2.07 -1.26 -4.23 121.20 120.23 2x41 s ILE 455 Ca -0.05 -1.62 -0.04 0.00 -1.41 0.00 0.00 60.65 57.53 2x41 s ILE 455 Cb -0.04 -1.39 0.02 0.00 0.13 0.00 0.00 42.46 41.18 2x41 s ILE 455 CO -0.00 -0.45 0.54 -1.54 -1.91 0.00 0.00 174.94 171.58 2x41 n SER 456 N 0.65 -1.52 -3.65 4.50 3.41 -1.26 -5.03 113.62 110.72 2x41 n SER 456 Ca -0.17 -2.85 0.02 0.00 -0.26 0.00 0.00 58.87 55.61 2x41 n SER 456 Cb 0.57 2.77 -0.00 0.00 -0.26 0.00 0.00 64.21 67.28 2x41 n SER 456 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2x41 s GLY 457 N -3.16 -0.34 0.37 5.00 0.00 -1.10 -1.65 107.32 106.43 2x41 s GLY 457 Ca 0.27 0.53 -0.26 0.00 0.00 0.00 0.00 44.72 45.26 2x41 s GLY 457 CO 0.19 1.18 1.02 -2.21 0.00 0.00 0.00 173.10 173.29 2x41 n GLU 458 N -0.57 1.41 0.00 2.90 2.13 -0.85 -3.04 120.64 122.62 2x41 n GLU 458 Ca -0.06 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.26 2x41 n GLU 458 Cb 0.62 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 30.34 2x41 n GLU 458 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2x41 n GLY 459 N 1.17 3.07 2.99 8.31 0.00 -1.26 -4.82 105.19 114.65 2x41 n GLY 459 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 2x41 n GLY 459 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x41 s TYR 460 N -2.39 0.90 0.27 1.61 2.02 -1.17 -4.76 117.35 113.84 2x41 s TYR 460 Ca 0.00 -0.22 -0.06 0.00 -0.37 0.00 0.00 57.07 56.42 2x41 s TYR 460 Cb 0.00 -0.65 -0.06 0.00 -0.40 0.00 0.00 41.96 40.85 2x41 s TYR 460 CO 0.00 -0.10 0.55 -0.51 -1.57 0.00 0.00 175.55 173.92 2x41 s ASP 461 N 0.20 6.49 0.81 2.29 -0.00 -1.26 -3.41 116.67 121.79 2x41 s ASP 461 Ca -0.03 0.77 -0.12 0.00 -0.00 0.00 0.00 52.55 53.17 2x41 s ASP 461 Cb -0.08 -2.17 0.08 0.00 -0.00 0.00 0.00 42.92 40.75 2x41 s ASP 461 CO 0.00 -0.16 1.11 -0.13 -0.00 0.00 0.00 175.17 175.99 2x41 s ARG 462 N -3.33 2.00 0.14 8.23 0.52 0.73 -4.87 118.95 122.38 2x41 s ARG 462 Ca 0.45 0.54 0.11 0.00 -0.52 0.00 0.00 55.73 56.30 2x41 s ARG 462 Cb -0.11 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.40 2x41 s ARG 462 CO 0.27 -1.65 -0.26 0.15 0.02 0.00 0.00 175.30 173.83 2x41 s LYS 463 N -5.22 1.40 -1.51 3.54 -0.14 -1.26 -4.87 119.74 111.69 2x41 s LYS 463 Ca 0.61 -1.37 -0.10 0.00 -1.36 0.00 0.00 55.97 53.76 2x41 s LYS 463 Cb -0.14 -1.86 -0.00 0.00 -1.68 0.00 0.00 37.83 34.15 2x41 s LYS 463 CO 0.54 0.43 2.63 -0.35 -0.76 0.00 0.00 175.35 177.83 2x41 n PRO 464 N 0.82 3.72 -4.28 -1.68 -0.05 -1.26 -3.12 135.00 129.15 2x41 n PRO 464 Ca -0.17 -2.64 -0.15 0.00 -0.05 0.00 0.00 63.50 60.49 2x41 n PRO 464 Cb 0.54 -2.87 -0.10 0.00 -0.05 0.00 0.00 33.50 31.02 2x41 n PRO 464 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 2x41 s VAL 465 N 1.55 0.39 0.34 0.52 -7.23 -1.26 -4.90 120.40 109.80 2x41 s VAL 465 Ca 0.60 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.48 2x41 s VAL 465 Cb 0.17 -2.60 -0.11 0.00 0.56 0.00 0.00 36.38 34.40 2x41 s VAL 465 CO -0.07 0.00 1.44 -0.54 -0.31 0.00 0.00 175.10 175.62 2x41 s LYS 466 N -4.07 4.21 0.00 4.82 1.02 -1.26 -1.76 119.74 122.70 2x41 s LYS 466 Ca 0.38 2.43 0.00 0.00 0.02 0.00 0.00 55.97 58.80 2x41 s LYS 466 Cb 0.08 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 2x41 s LYS 466 CO 0.13 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 2x41 n GLY 467 N 0.99 1.26 0.00 -3.33 0.00 0.18 -4.77 105.19 99.52 2x41 n GLY 467 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2x41 n GLY 467 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2x41 n ASP 468 N 0.00 0.00 -0.01 1.61 4.64 -0.91 -4.89 116.55 116.99 2x41 n ASP 468 Ca 0.00 0.00 -0.01 0.00 -1.38 0.00 0.00 54.79 53.40 2x41 n ASP 468 Cb 0.00 0.00 0.28 0.00 -1.04 0.00 0.00 41.12 40.36 2x41 n ASP 468 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 2x41 h PHE 469 N 0.00 0.57 -2.94 -0.67 3.57 -1.45 -3.43 116.94 112.59 2x41 h PHE 469 Ca 0.00 -0.06 -0.61 0.00 3.53 0.00 0.00 57.97 60.83 2x41 h PHE 469 Cb 0.00 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 2x41 h PHE 469 CO 0.00 0.56 -0.55 0.71 -2.23 0.00 0.00 178.31 176.80 2x41 s TYR 470 N -4.98 3.33 0.51 0.41 1.51 -0.72 -0.45 117.35 116.96 2x41 s TYR 470 Ca -0.08 0.13 -0.23 0.00 -1.01 0.00 0.00 57.07 55.88 2x41 s TYR 470 Cb 0.15 -1.66 -0.06 0.00 -0.11 0.00 0.00 41.96 40.29 2x41 s TYR 470 CO 0.77 0.54 1.35 -0.51 -1.11 0.00 0.00 175.55 176.59 2x41 s LEU 471 N -2.64 3.94 0.63 -1.29 1.02 -1.26 0.50 118.68 119.59 2x41 s LEU 471 Ca 0.32 2.75 -0.14 0.00 0.02 0.00 0.00 54.13 57.08 2x41 s LEU 471 Cb -0.12 -4.18 -0.02 0.00 0.02 0.00 0.00 46.19 41.89 2x41 s LEU 471 CO 0.25 -1.39 1.06 -0.94 0.02 0.00 0.00 176.35 175.35 2x41 s SER 472 N -0.89 5.61 0.27 2.29 1.04 -1.26 -3.85 113.70 116.90 2x41 s SER 472 Ca 0.68 1.77 -0.01 0.00 0.48 0.00 0.00 55.95 58.86 2x41 s SER 472 Cb -0.40 -2.52 0.48 0.00 0.10 0.00 0.00 66.02 63.68 2x41 s SER 472 CO 0.48 -1.29 1.83 0.44 0.98 0.00 0.00 173.24 175.68 2x41 h ASP 473 N 0.05 0.84 -0.60 7.02 3.32 -1.95 -0.80 116.42 124.29 2x41 h ASP 473 Ca -0.46 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 2x41 h ASP 473 Cb 1.22 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 2x41 h ASP 473 CO 0.57 0.47 0.31 -2.24 -1.72 0.00 0.00 179.24 176.62 2x41 h ASP 474 N 0.93 0.80 -0.39 6.45 3.04 -1.99 0.76 116.42 126.02 2x41 h ASP 474 Ca 0.45 -0.08 -0.11 0.00 -3.24 0.00 0.00 57.03 54.06 2x41 h ASP 474 Cb 0.41 -0.20 -0.01 0.00 -1.04 0.00 0.00 39.33 38.49 2x41 h ASP 474 CO -0.25 0.67 -0.18 -0.33 -2.04 0.00 0.00 179.24 177.11 2x41 h GLU 475 N 0.89 0.82 -0.48 4.15 5.08 -1.56 -1.67 114.58 121.81 2x41 h GLU 475 Ca 0.22 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 2x41 h GLU 475 Cb 0.08 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2x41 h GLU 475 CO -0.03 0.98 0.11 1.15 -1.00 0.00 0.00 179.01 180.22 2x41 h THR 476 N 0.63 1.24 -0.83 1.13 2.02 -0.79 -2.09 112.91 114.22 2x41 h THR 476 Ca 0.09 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 2x41 h THR 476 Cb 0.73 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 2x41 h THR 476 CO 0.06 0.30 0.39 0.44 0.37 0.00 0.00 175.52 177.08 2x41 h ASP 477 N 0.65 1.08 -0.23 4.18 3.32 -0.81 0.30 116.42 124.92 2x41 h ASP 477 Ca 0.15 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2x41 h ASP 477 Cb 0.34 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2x41 h ASP 477 CO 0.00 0.92 0.11 0.25 -1.72 0.00 0.00 179.24 178.80 2x41 h LEU 478 N 1.18 0.30 -0.28 1.55 5.85 -1.12 -0.90 115.31 121.89 2x41 h LEU 478 Ca 0.28 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2x41 h LEU 478 Cb 0.13 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2x41 h LEU 478 CO -0.03 0.34 0.08 0.40 -0.34 0.00 0.00 178.44 178.88 2x41 h ILE 479 N 0.23 1.21 -0.35 4.05 2.04 -1.07 0.05 117.51 123.67 2x41 h ILE 479 Ca 0.08 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.30 2x41 h ILE 479 Cb 0.12 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 2x41 h ILE 479 CO -0.01 0.23 0.10 0.11 0.00 0.00 0.00 178.15 178.58 2x41 h LYS 480 N 0.29 0.23 -0.13 2.37 1.57 -0.85 0.35 116.57 120.41 2x41 h LYS 480 Ca 0.09 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2x41 h LYS 480 Cb 0.27 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2x41 h LYS 480 CO -0.00 0.15 -0.11 1.15 -0.57 0.00 0.00 179.45 180.07 2x41 h THR 481 N 0.24 1.34 -0.49 -0.16 2.02 -1.03 -1.79 112.91 113.04 2x41 h THR 481 Ca 0.16 -1.24 0.01 0.00 0.77 0.00 0.00 66.41 66.11 2x41 h THR 481 Cb 0.16 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 2x41 h THR 481 CO -0.18 0.36 0.32 0.58 0.37 0.00 0.00 175.52 176.97 2x41 h VAL 482 N -0.08 1.11 -0.31 3.16 2.07 -0.88 -1.21 116.25 120.12 2x41 h VAL 482 Ca 0.02 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2x41 h VAL 482 Cb 0.62 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2x41 h VAL 482 CO 0.03 0.12 0.17 -1.28 0.02 0.00 0.00 177.57 176.63 2x41 h SER 483 N 0.65 0.38 -0.18 0.57 0.87 -0.92 -1.36 113.55 113.57 2x41 h SER 483 Ca 0.18 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2x41 h SER 483 Cb -0.06 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2x41 h SER 483 CO -0.05 0.35 0.08 -0.09 -0.53 0.00 0.00 176.83 176.60 2x41 h ARG 484 N 0.38 0.26 -0.46 2.24 2.43 -1.08 -0.64 114.38 117.50 2x41 h ARG 484 Ca 0.11 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 2x41 h ARG 484 Cb 0.06 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2x41 h ARG 484 CO -0.02 0.30 0.06 0.93 -1.51 0.00 0.00 179.97 179.73 2x41 h GLU 485 N 0.15 0.78 -0.09 0.20 4.39 -1.16 -0.47 114.58 118.38 2x41 h GLU 485 Ca 0.06 -0.21 -0.15 0.00 0.34 0.00 0.00 59.36 59.40 2x41 h GLU 485 Cb 0.13 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2x41 h GLU 485 CO -0.01 0.80 -0.53 0.74 -1.16 0.00 0.00 179.01 178.85 2x41 h PHE 486 N 0.64 0.71 -0.30 4.33 0.04 -1.22 -2.79 116.94 118.35 2x41 h PHE 486 Ca 0.14 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.59 2x41 h PHE 486 Cb 0.40 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2x41 h PHE 486 CO 0.03 1.10 0.20 0.45 -0.60 0.00 0.00 178.31 179.49 2x41 h HIS 487 N 0.11 0.37 -0.80 -0.55 3.86 -1.12 0.18 115.15 117.20 2x41 h HIS 487 Ca -0.04 0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.28 2x41 h HIS 487 Cb 1.18 -0.13 -0.08 0.00 1.06 0.00 0.00 27.41 29.45 2x41 h HIS 487 CO 0.12 0.23 0.43 1.49 0.86 0.00 0.00 177.93 181.06 2x41 h GLU 488 N 0.40 0.67 -0.08 2.45 4.57 -0.82 0.01 114.58 121.79 2x41 h GLU 488 Ca 0.11 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2x41 h GLU 488 Cb -0.04 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 2x41 h GLU 488 CO -0.02 0.44 0.00 1.04 -1.18 0.00 0.00 179.01 179.29 2x41 n GLN 489 N -4.81 1.42 -1.96 1.92 1.13 -0.28 -4.88 117.38 109.91 2x41 n GLN 489 Ca 0.14 -0.62 -0.05 0.00 -1.94 0.00 0.00 57.00 54.52 2x41 n GLN 489 Cb 0.31 -1.38 -0.01 0.00 0.11 0.00 0.00 30.24 29.28 2x41 n GLN 489 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2x41 n GLY 490 N 1.01 0.25 3.60 1.08 0.00 -0.01 -5.04 105.19 106.08 2x41 n GLY 490 Ca 0.16 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 2x41 n GLY 490 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x41 s LYS 491 N -4.00 2.15 0.14 1.61 1.02 0.46 -4.97 119.74 116.15 2x41 s LYS 491 Ca 0.00 -1.38 -0.09 0.00 0.02 0.00 0.00 55.97 54.52 2x41 s LYS 491 Cb 0.00 -2.13 -0.06 0.00 -0.52 0.00 0.00 37.83 35.12 2x41 s LYS 491 CO 0.00 0.39 0.44 0.15 -0.92 0.00 0.00 175.35 175.42 2x41 s LYS 492 N -3.30 3.75 -0.08 1.68 -0.14 -1.26 -3.38 119.74 117.02 2x41 s LYS 492 Ca 0.29 0.16 0.04 0.00 -1.36 0.00 0.00 55.97 55.09 2x41 s LYS 492 Cb -0.07 -2.86 -0.00 0.00 -1.68 0.00 0.00 37.83 33.21 2x41 s LYS 492 CO 0.18 0.47 -0.21 0.54 -0.76 0.00 0.00 175.35 175.56 2x41 s VAL 493 N -1.58 1.81 -0.05 3.17 0.11 -1.26 -2.00 120.40 120.61 2x41 s VAL 493 Ca 0.39 -0.90 0.06 0.00 -2.93 0.00 0.00 61.98 58.60 2x41 s VAL 493 Cb -0.13 -1.57 -0.01 0.00 -1.53 0.00 0.00 36.38 33.15 2x41 s VAL 493 CO 0.21 0.51 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.63 2x41 s ILE 494 N 0.23 1.87 -0.13 7.04 1.01 0.61 -1.06 121.20 130.78 2x41 s ILE 494 Ca -0.12 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.54 2x41 s ILE 494 Cb -0.16 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 2x41 s ILE 494 CO 0.06 0.52 -0.07 -0.69 0.00 0.00 0.00 174.94 174.76 2x41 s VAL 495 N -0.15 3.58 -0.24 2.92 1.01 0.09 0.85 120.40 128.47 2x41 s VAL 495 Ca -0.02 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 2x41 s VAL 495 Cb -0.13 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2x41 s VAL 495 CO 0.03 0.53 0.07 -0.76 0.00 0.00 0.00 175.10 174.97 2x41 s LEU 496 N 0.07 3.53 -0.66 3.92 1.43 0.17 -1.26 118.68 125.88 2x41 s LEU 496 Ca -0.02 -0.15 -0.19 0.00 -1.03 0.00 0.00 54.13 52.74 2x41 s LEU 496 Cb -0.14 -1.94 0.11 0.00 0.03 0.00 0.00 46.19 44.25 2x41 s LEU 496 CO 0.03 0.00 0.81 -0.76 0.23 0.00 0.00 176.35 176.67 2x41 s LEU 497 N 1.40 5.21 -1.19 1.79 1.43 0.67 -1.24 118.68 126.75 2x41 s LEU 497 Ca 0.05 -1.48 -0.07 0.00 -1.03 0.00 0.00 54.13 51.61 2x41 s LEU 497 Cb -0.15 -2.33 0.23 0.00 0.03 0.00 0.00 46.19 43.97 2x41 s LEU 497 CO 0.04 -1.15 1.73 -3.20 0.23 0.00 0.00 176.35 174.00 2x41 n ASN 498 N 6.53 5.89 -4.37 2.29 4.05 0.44 -1.02 115.26 129.06 2x41 n ASN 498 Ca -0.03 -3.27 -0.21 0.00 0.45 0.00 0.00 54.58 51.52 2x41 n ASN 498 Cb 0.44 -1.37 -0.10 0.00 1.23 0.00 0.00 39.78 39.98 2x41 n ASN 498 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 2x41 s ILE 499 N -1.25 0.96 -0.91 -1.44 -4.36 -1.13 -1.65 121.20 111.42 2x41 s ILE 499 Ca 0.36 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.83 2x41 s ILE 499 Cb 0.08 -2.69 0.08 0.00 1.25 0.00 0.00 42.46 41.18 2x41 s ILE 499 CO 0.04 0.00 0.79 0.61 0.24 0.00 0.00 174.94 176.62 2x41 n GLY 500 N -0.68 -0.29 3.65 6.27 0.00 -1.26 -3.30 105.19 109.58 2x41 n GLY 500 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 2x41 n GLY 500 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x41 s SER 501 N -0.68 -0.12 0.53 1.61 1.04 -1.26 -3.08 113.70 111.74 2x41 s SER 501 Ca 0.10 -0.19 -0.22 0.00 0.48 0.00 0.00 55.95 56.11 2x41 s SER 501 Cb 0.07 0.27 -0.06 0.00 0.10 0.00 0.00 66.02 66.39 2x41 s SER 501 CO 0.10 -0.48 1.33 -2.65 0.98 0.00 0.00 173.24 172.52 2x41 n PRO 502 N -0.43 1.73 -4.37 4.02 -0.02 -1.26 -5.03 135.00 129.64 2x41 n PRO 502 Ca -0.07 0.63 -0.19 0.00 -2.02 0.00 0.00 63.50 61.86 2x41 n PRO 502 Cb 0.62 -2.54 -0.10 0.00 -0.02 0.00 0.00 33.50 31.46 2x41 n PRO 502 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2x41 s VAL 503 N -1.28 1.29 0.27 -1.45 -7.23 -1.26 -4.87 120.40 105.88 2x41 s VAL 503 Ca 0.70 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 2x41 s VAL 503 Cb -0.43 -2.37 -0.11 0.00 0.56 0.00 0.00 36.38 34.04 2x41 s VAL 503 CO 0.51 -0.33 1.50 -0.70 -0.31 0.00 0.00 175.10 175.77 2x41 s GLU 504 N -3.80 4.20 0.00 4.82 -6.30 0.40 -4.89 118.70 113.13 2x41 s GLU 504 Ca 0.28 2.43 0.00 0.00 -2.50 0.00 0.00 54.97 55.18 2x41 s GLU 504 Cb 0.05 -3.07 0.00 0.00 0.00 0.00 0.00 34.13 31.11 2x41 s GLU 504 CO 0.10 -0.51 0.00 1.33 0.02 0.00 0.00 175.26 176.20 2x41 n VAL 505 N 2.15 0.00 -0.17 3.70 0.24 -1.26 -4.75 118.33 118.25 2x41 n VAL 505 Ca 0.07 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.50 2x41 n VAL 505 Cb 0.39 -0.21 0.46 0.00 -1.47 0.00 0.00 33.84 33.01 2x41 n VAL 505 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2x41 h VAL 506 N 0.00 0.85 0.00 3.34 2.07 -1.90 0.15 116.25 120.76 2x41 h VAL 506 Ca 0.00 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 2x41 h VAL 506 Cb 0.29 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2x41 h VAL 506 CO 0.00 0.09 -0.37 0.77 0.02 0.00 0.00 177.57 178.08 2x41 h SER 507 N 0.50 0.00 0.00 0.57 4.64 -1.90 -3.35 113.55 114.00 2x41 h SER 507 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2x41 h SER 507 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2x41 h SER 507 CO -0.12 0.37 -0.28 -2.67 -0.87 0.00 0.00 176.83 173.27 2x41 n TRP 508 N -3.67 0.00 0.00 4.77 4.27 -0.90 -4.80 117.44 117.12 2x41 n TRP 508 Ca -0.01 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.63 2x41 n TRP 508 Cb 0.47 0.00 0.38 0.00 -1.36 0.00 0.00 31.31 30.80 2x41 n TRP 508 CO 0.00 0.00 0.00 0.07 -2.29 0.00 0.00 177.69 175.47 2x41 h ARG 509 N 0.00 0.52 0.00 -2.67 0.11 -1.12 -1.12 114.38 110.10 2x41 h ARG 509 Ca 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2x41 h ARG 509 Cb 0.00 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 30.98 2x41 h ARG 509 CO 0.00 0.43 0.00 -0.25 0.10 0.00 0.00 179.97 180.25 2x41 n ASP 510 N -4.39 0.00 0.05 0.08 8.00 -1.26 -2.49 116.55 116.53 2x41 n ASP 510 Ca 0.02 -0.39 0.11 0.00 0.71 0.00 0.00 54.79 55.24 2x41 n ASP 510 Cb 0.13 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2x41 n ASP 510 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2x41 n LEU 511 N -1.12 0.60 -4.68 0.64 4.77 -0.42 -4.95 117.00 111.84 2x41 n LEU 511 Ca 0.13 0.10 -0.28 0.00 -0.03 0.00 0.00 56.01 55.93 2x41 n LEU 511 Cb 0.11 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 2x41 n LEU 511 CO 0.13 -0.03 -0.24 0.68 -1.33 0.00 0.00 177.39 176.60 2x41 s VAL 512 N -3.28 1.94 -0.14 4.08 -7.23 -1.04 -4.80 120.40 109.93 2x41 s VAL 512 Ca 0.01 -1.90 0.13 0.00 -1.81 0.00 0.00 61.98 58.40 2x41 s VAL 512 Cb 0.13 -2.84 -0.18 0.00 0.56 0.00 0.00 36.38 34.05 2x41 s VAL 512 CO 0.81 0.00 0.05 0.47 -0.31 0.00 0.00 175.10 176.11 2x41 n ASP 513 N -1.11 1.49 -4.07 4.85 8.00 -0.22 -4.94 116.55 120.54 2x41 n ASP 513 Ca -0.06 -0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.24 2x41 n ASP 513 Cb 0.66 0.85 -0.14 0.00 -0.02 0.00 0.00 41.12 42.47 2x41 n ASP 513 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2x41 s GLY 514 N -4.75 0.58 -0.09 0.44 0.00 -0.96 0.05 107.32 102.57 2x41 s GLY 514 Ca -0.07 -0.54 -0.02 0.00 0.00 0.00 0.00 44.72 44.08 2x41 s GLY 514 CO 0.58 -0.48 0.03 -0.42 0.00 0.00 0.00 173.10 172.82 2x41 s ILE 515 N -0.40 0.21 -0.23 0.90 1.01 0.26 -0.73 121.20 122.21 2x41 s ILE 515 Ca 0.03 0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.70 2x41 s ILE 515 Cb -0.05 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.90 2x41 s ILE 515 CO -0.00 0.10 -0.01 -0.76 0.00 0.00 0.00 174.94 174.27 2x41 s LEU 516 N 2.03 3.10 -0.67 2.97 1.43 -0.39 -0.97 118.68 126.18 2x41 s LEU 516 Ca 0.04 -0.38 -0.25 0.00 -1.03 0.00 0.00 54.13 52.51 2x41 s LEU 516 Cb -0.13 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.34 2x41 s LEU 516 CO -0.06 -0.04 1.11 -0.22 0.23 0.00 0.00 176.35 177.38 2x41 s LEU 517 N 1.51 3.74 0.00 1.79 2.96 0.15 -0.24 118.68 128.59 2x41 s LEU 517 Ca 0.06 -0.54 0.24 0.00 -0.22 0.00 0.00 54.13 53.66 2x41 s LEU 517 Cb -0.15 -2.63 0.35 0.00 0.50 0.00 0.00 46.19 44.27 2x41 s LEU 517 CO -0.01 -1.57 1.31 0.52 -1.32 0.00 0.00 176.35 175.27 2x41 n VAL 518 N 6.24 0.00 -2.56 1.68 0.31 -0.19 -1.38 118.33 122.42 2x41 n VAL 518 Ca 0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2x41 n VAL 518 Cb 0.48 0.49 0.00 0.00 -0.91 0.00 0.00 33.84 33.90 2x41 n VAL 518 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2x41 n TRP 519 N -1.29 0.00 -3.85 3.52 7.02 -0.76 -4.19 117.44 117.89 2x41 n TRP 519 Ca 0.06 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.25 2x41 n TRP 519 Cb 0.34 0.03 -0.16 0.00 -2.42 0.00 0.00 31.31 29.10 2x41 n TRP 519 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2x41 s GLN 520 N 0.00 1.15 -0.29 -0.99 -0.21 -1.21 -2.83 119.66 115.29 2x41 s GLN 520 Ca 0.00 -0.94 0.11 0.00 0.02 0.00 0.00 55.36 54.55 2x41 s GLN 520 Cb 0.00 -2.38 0.66 0.00 1.00 0.00 0.00 33.01 32.29 2x41 s GLN 520 CO 0.00 -0.73 1.67 0.00 -2.12 0.00 0.00 175.29 174.11 2x41 n ALA 521 N 4.77 4.21 -0.58 6.09 0.00 -1.23 -1.99 120.51 131.78 2x41 n ALA 521 Ca -0.08 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 50.87 2x41 n ALA 521 Cb 0.44 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2x41 n ALA 521 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x41 n GLY 522 N -0.43 0.11 0.24 0.00 0.00 -0.25 -3.64 105.19 101.22 2x41 n GLY 522 Ca 0.36 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 45.50 2x41 n GLY 522 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2x41 h GLN 523 N 0.00 0.00 -0.13 1.61 3.07 -1.59 -2.64 115.11 115.44 2x41 h GLN 523 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2x41 h GLN 523 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2x41 h GLN 523 CO 0.00 0.10 0.00 0.39 0.09 0.00 0.00 178.83 179.41 2x41 n GLU 524 N -4.37 1.81 -0.39 0.06 -0.58 -1.25 -0.23 120.64 115.69 2x41 n GLU 524 Ca -0.03 -1.21 -0.07 0.00 -0.42 0.00 0.00 57.16 55.44 2x41 n GLU 524 Cb 0.17 -1.44 -0.04 0.00 -0.57 0.00 0.00 31.44 29.56 2x41 n GLU 524 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2x41 n THR 525 N 0.44 -0.59 -0.22 2.62 -1.04 -1.00 -0.84 114.28 113.65 2x41 n THR 525 Ca 0.17 2.29 0.06 0.00 -2.04 0.00 0.00 64.05 64.53 2x41 n THR 525 Cb 0.38 -2.91 0.32 0.00 -1.82 0.00 0.00 70.33 66.29 2x41 n THR 525 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2x41 h GLY 526 N 0.00 1.07 0.99 3.41 0.00 -1.01 0.06 103.07 107.60 2x41 h GLY 526 Ca 0.23 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 2x41 h GLY 526 CO -0.92 0.25 -0.43 3.21 0.00 0.00 0.00 176.54 178.64 2x41 h ARG 527 N 0.84 0.70 -0.08 4.80 3.08 -1.25 -1.63 114.38 120.83 2x41 h ARG 527 Ca 0.34 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 2x41 h ARG 527 Cb 0.25 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 2x41 h ARG 527 CO -0.12 1.06 0.04 0.82 -1.07 0.00 0.00 179.97 180.71 2x41 h ILE 528 N 0.41 1.07 -0.13 2.04 2.04 -0.69 -1.80 117.51 120.46 2x41 h ILE 528 Ca 0.01 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2x41 h ILE 528 Cb 1.03 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2x41 h ILE 528 CO 0.10 0.06 0.03 0.58 0.00 0.00 0.00 178.15 178.92 2x41 h VAL 529 N 0.04 0.95 -0.42 1.67 2.07 -0.98 0.62 116.25 120.20 2x41 h VAL 529 Ca 0.03 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2x41 h VAL 529 Cb 0.07 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2x41 h VAL 529 CO -0.00 0.02 0.17 0.00 0.02 0.00 0.00 177.57 177.77 2x41 h ALA 530 N 1.09 0.51 -0.16 1.67 0.00 -1.27 -0.34 119.26 120.76 2x41 h ALA 530 Ca 0.06 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2x41 h ALA 530 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2x41 h ALA 530 CO -0.07 -0.21 -0.32 -0.44 0.00 0.00 0.00 179.25 178.21 2x41 h ASP 531 N 0.35 0.32 -0.48 0.00 3.45 -0.88 -1.79 116.42 117.39 2x41 h ASP 531 Ca 0.19 -0.11 -0.09 0.00 0.43 0.00 0.00 57.03 57.45 2x41 h ASP 531 Cb 0.15 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 2x41 h ASP 531 CO -0.17 0.63 -0.05 0.58 -1.57 0.00 0.00 179.24 178.65 2x41 h VAL 532 N 0.27 1.27 -0.79 -1.35 2.07 -0.50 -0.43 116.25 116.78 2x41 h VAL 532 Ca 0.04 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 2x41 h VAL 532 Cb 0.70 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2x41 h VAL 532 CO 0.05 0.40 0.42 -0.07 0.02 0.00 0.00 177.57 178.39 2x41 h LEU 533 N 0.73 0.99 0.00 2.57 3.38 -0.51 -2.65 115.31 119.81 2x41 h LEU 533 Ca 0.13 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2x41 h LEU 533 Cb 0.58 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2x41 h LEU 533 CO 0.04 0.81 -0.29 0.71 0.09 0.00 0.00 178.44 179.79 2x41 h THR 534 N 1.11 0.22 0.00 0.22 1.35 -1.34 0.10 112.91 114.56 2x41 h THR 534 Ca 0.28 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 2x41 h THR 534 Cb 0.05 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2x41 h THR 534 CO -0.04 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2x41 n GLY 535 N 1.15 0.75 0.34 5.82 0.00 -0.93 -4.55 105.19 107.76 2x41 n GLY 535 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 2x41 n GLY 535 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2x41 h ARG 536 N 4.08 0.81 -5.39 1.61 2.43 -1.40 -3.38 114.38 113.14 2x41 h ARG 536 Ca 0.00 -0.05 -0.63 0.00 -0.81 0.00 0.00 59.98 58.49 2x41 h ARG 536 Cb 0.00 -0.18 -0.18 0.00 -0.42 0.00 0.00 29.97 29.19 2x41 h ARG 536 CO 0.00 0.54 -0.61 0.42 -1.51 0.00 0.00 179.97 178.80 2x41 s ILE 537 N -5.72 4.36 -0.42 1.20 1.01 -0.34 -4.98 121.20 116.31 2x41 s ILE 537 Ca -0.10 -0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.19 2x41 s ILE 537 Cb 0.18 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.75 2x41 s ILE 537 CO 0.76 0.50 0.37 0.21 0.00 0.00 0.00 174.94 176.78 2x41 s ASN 538 N 0.16 6.15 -0.26 3.58 3.84 -1.26 -4.49 114.94 122.66 2x41 s ASN 538 Ca 0.02 -0.84 -0.43 0.00 0.21 0.00 0.00 52.86 51.82 2x41 s ASN 538 Cb -0.13 -2.19 -0.19 0.00 -0.55 0.00 0.00 41.25 38.19 2x41 s ASN 538 CO 0.02 -0.53 1.42 -2.65 -2.79 0.00 0.00 177.10 172.57 2x41 n PRO 539 N 5.37 0.22 0.00 0.43 -0.02 -1.26 -4.73 135.00 135.01 2x41 n PRO 539 Ca -0.09 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2x41 n PRO 539 Cb 0.47 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 2x41 n PRO 539 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2x41 n SER 540 N 3.21 0.93 -4.82 2.55 3.41 -1.26 -4.44 113.62 113.20 2x41 n SER 540 Ca 0.26 -1.40 -0.33 0.00 -0.26 0.00 0.00 58.87 57.14 2x41 n SER 540 Cb 0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 2x41 n SER 540 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2x41 s GLY 541 N -0.40 2.22 0.01 5.00 0.00 -0.91 -4.64 107.32 108.60 2x41 s GLY 541 Ca 0.00 0.37 -0.00 0.00 0.00 0.00 0.00 44.72 45.09 2x41 s GLY 541 CO 0.00 0.67 -0.01 0.54 0.00 0.00 0.00 173.10 174.29 2x41 s LYS 542 N -3.79 0.20 0.21 2.90 1.02 0.09 -4.43 119.74 115.94 2x41 s LYS 542 Ca 0.63 -0.36 -0.32 0.00 0.02 0.00 0.00 55.97 55.93 2x41 s LYS 542 Cb -0.13 0.07 -0.13 0.00 -0.52 0.00 0.00 37.83 37.11 2x41 s LYS 542 CO 0.28 -0.03 1.48 1.28 -0.92 0.00 0.00 175.35 177.44 2x41 n LEU 543 N 2.17 3.16 -1.25 3.17 4.77 0.13 -4.35 117.00 124.81 2x41 n LEU 543 Ca -0.19 1.12 0.11 0.00 -0.03 0.00 0.00 56.01 57.02 2x41 n LEU 543 Cb 0.57 -1.44 0.29 0.00 -2.33 0.00 0.00 43.42 40.52 2x41 n LEU 543 CO 0.22 -0.39 0.75 -0.81 -1.33 0.00 0.00 177.39 175.84 2x41 n PRO 544 N 2.52 2.57 -3.61 3.23 -0.04 -1.26 -0.41 135.00 138.00 2x41 n PRO 544 Ca 0.13 -2.43 -0.16 0.00 -0.04 0.00 0.00 63.50 61.00 2x41 n PRO 544 Cb 0.31 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 2x41 n PRO 544 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2x41 s THR 545 N -1.14 0.02 0.13 0.52 2.01 -1.26 -2.38 115.64 113.55 2x41 s THR 545 Ca 0.45 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 2x41 s THR 545 Cb 0.24 -0.88 -0.07 0.00 0.01 0.00 0.00 72.50 71.81 2x41 s THR 545 CO 0.31 -0.11 0.91 -0.89 -0.69 0.00 0.00 174.62 174.15 2x41 s THR 546 N -1.51 4.44 -0.47 -0.82 2.01 -1.26 -4.34 115.64 113.69 2x41 s THR 546 Ca -0.11 1.98 -0.17 0.00 0.31 0.00 0.00 61.69 63.71 2x41 s THR 546 Cb -0.02 -4.28 0.06 0.00 0.01 0.00 0.00 72.50 68.27 2x41 s THR 546 CO 0.06 0.37 0.48 -0.36 -0.69 0.00 0.00 174.62 174.48 2x41 s PHE 547 N -0.32 3.17 0.42 4.92 0.40 -0.20 -4.90 117.98 121.47 2x41 s PHE 547 Ca 0.44 -0.69 -0.23 0.00 -0.60 0.00 0.00 56.93 55.84 2x41 s PHE 547 Cb -0.23 -3.23 -0.09 0.00 0.51 0.00 0.00 43.02 39.98 2x41 s PHE 547 CO 0.29 -0.85 1.06 -2.14 0.70 0.00 0.00 175.22 174.28 2x41 s PRO 548 N 2.06 4.04 0.23 0.24 0.02 -1.26 0.95 135.00 141.28 2x41 s PRO 548 Ca 0.09 1.51 -0.06 0.00 0.02 0.00 0.00 61.00 62.56 2x41 s PRO 548 Cb -0.21 -2.43 0.32 0.00 0.02 0.00 0.00 34.50 32.20 2x41 s PRO 548 CO 0.10 -0.25 1.83 0.00 -0.33 0.00 0.00 177.00 178.35 2x41 h ARG 549 N 2.25 0.82 -3.71 5.54 3.08 -1.84 -3.39 114.38 117.13 2x41 h ARG 549 Ca -0.49 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.40 2x41 h ARG 549 Cb 1.22 -0.18 -0.17 0.00 0.08 0.00 0.00 29.97 30.92 2x41 h ARG 549 CO 0.61 0.54 -0.44 0.34 -1.07 0.00 0.00 179.97 179.95 2x41 s ASP 550 N -5.68 0.11 0.43 7.04 -1.08 -1.26 -4.61 116.67 111.62 2x41 s ASP 550 Ca -0.13 -0.50 0.09 0.00 -0.52 0.00 0.00 52.55 51.50 2x41 s ASP 550 Cb 0.18 0.27 0.95 0.00 -1.46 0.00 0.00 42.92 42.86 2x41 s ASP 550 CO 0.78 -0.57 2.08 0.22 0.52 0.00 0.00 175.17 178.19 2x41 h TYR 551 N 3.39 0.39 0.00 -5.34 3.20 -1.99 -1.70 116.97 114.92 2x41 h TYR 551 Ca -0.33 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.55 2x41 h TYR 551 Cb 1.19 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.33 2x41 h TYR 551 CO 0.50 0.25 0.00 -1.13 -1.64 0.00 0.00 178.16 176.14 2x41 n SER 552 N -4.48 0.53 0.18 -2.11 3.41 -1.26 -1.50 113.62 108.39 2x41 n SER 552 Ca 0.02 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 2x41 n SER 552 Cb 0.07 -0.77 0.26 0.00 -0.26 0.00 0.00 64.21 63.51 2x41 n SER 552 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2x41 h ASP 553 N 0.00 0.00 -2.73 4.04 3.32 -1.73 -3.46 116.42 115.87 2x41 h ASP 553 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2x41 h ASP 553 Cb 0.20 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.79 2x41 h ASP 553 CO 0.00 0.00 0.96 -0.69 -1.72 0.00 0.00 179.24 177.79 2x41 s VAL 554 N -3.18 2.75 0.07 -1.35 1.01 -0.57 -4.91 120.40 114.23 2x41 s VAL 554 Ca 0.08 0.40 0.23 0.00 0.00 0.00 0.00 61.98 62.69 2x41 s VAL 554 Cb 0.08 -3.25 0.22 0.00 0.00 0.00 0.00 36.38 33.42 2x41 s VAL 554 CO 0.64 0.01 1.77 1.55 0.00 0.00 0.00 175.10 179.08 2x41 h PRO 555 N 7.61 0.00 -2.64 2.72 0.13 -1.89 -3.31 132.00 134.62 2x41 h PRO 555 Ca -0.43 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.14 2x41 h PRO 555 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2x41 h PRO 555 CO 0.93 0.25 2.42 -1.13 -0.23 0.00 0.00 178.00 180.24 2x41 n SER 556 N -3.36 7.69 0.29 1.44 3.41 -1.26 -4.53 113.62 117.30 2x41 n SER 556 Ca 0.01 -2.67 0.17 0.00 -0.26 0.00 0.00 58.87 56.11 2x41 n SER 556 Cb 0.47 -1.48 0.87 0.00 -0.26 0.00 0.00 64.21 63.81 2x41 n SER 556 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2x41 h TRP 557 N 4.34 0.00 0.00 7.33 5.08 -1.96 -2.88 115.95 127.85 2x41 h TRP 557 Ca 0.66 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.60 2x41 h TRP 557 Cb 0.61 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.76 2x41 h TRP 557 CO 1.80 0.05 -0.15 1.79 -1.28 0.00 0.00 178.44 180.65 2x41 h THR 558 N 0.00 0.41 -1.58 0.12 1.35 -1.85 -3.44 112.91 107.91 2x41 h THR 558 Ca -0.00 -0.84 -0.70 0.00 -0.55 0.00 0.00 66.41 64.33 2x41 h THR 558 Cb 0.28 1.61 0.05 0.00 -1.73 0.00 0.00 68.15 68.37 2x41 h THR 558 CO 0.01 0.14 0.38 0.33 -0.25 0.00 0.00 175.52 176.13 2x41 n PHE 559 N -3.35 1.36 -0.80 4.73 7.35 -1.09 0.39 117.46 126.04 2x41 n PHE 559 Ca -0.00 0.71 0.07 0.00 -0.76 0.00 0.00 57.45 57.47 2x41 n PHE 559 Cb 0.36 -2.29 0.39 0.00 0.35 0.00 0.00 39.48 38.29 2x41 n PHE 559 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2x41 n PRO 560 N 2.33 4.60 0.00 -7.13 -0.05 -1.26 -5.09 135.00 128.40 2x41 n PRO 560 Ca 0.18 -3.05 0.00 0.00 -0.05 0.00 0.00 63.50 60.58 2x41 n PRO 560 Cb 0.18 -2.18 0.00 0.00 -0.05 0.00 0.00 33.50 31.45 2x41 n PRO 560 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2x41 n GLY 561 N 0.75 -0.66 3.04 0.55 0.00 0.16 -4.74 105.19 104.29 2x41 n GLY 561 Ca 0.27 -2.18 -0.19 0.00 0.00 0.00 0.00 46.02 43.92 2x41 n GLY 561 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x41 s GLU 562 N 0.00 0.78 0.43 1.61 2.12 0.74 -2.97 118.70 121.43 2x41 s GLU 562 Ca 0.00 -0.39 -0.22 0.00 0.36 0.00 0.00 54.97 54.71 2x41 s GLU 562 Cb 0.00 -0.75 -0.09 0.00 0.26 0.00 0.00 34.13 33.55 2x41 s GLU 562 CO 0.00 0.20 1.05 -1.25 -0.54 0.00 0.00 175.26 174.72 2x41 s PRO 563 N -0.35 4.01 0.28 4.30 0.04 -1.26 -0.63 135.00 141.40 2x41 s PRO 563 Ca 0.03 1.46 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 2x41 s PRO 563 Cb -0.04 -2.36 0.63 0.00 0.04 0.00 0.00 34.50 32.77 2x41 s PRO 563 CO -0.00 -0.26 1.63 -0.22 0.04 0.00 0.00 177.00 178.18 2x41 h LYS 564 N 2.12 0.13 0.00 4.56 3.64 -1.92 0.15 116.57 125.24 2x41 h LYS 564 Ca -0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2x41 h LYS 564 Cb 1.22 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2x41 h LYS 564 CO 0.61 0.08 0.00 0.22 -2.27 0.00 0.00 179.45 178.09 2x41 h ASP 565 N 0.13 0.00 -0.49 4.20 3.58 -1.97 -3.37 116.42 118.50 2x41 h ASP 565 Ca 0.52 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.67 2x41 h ASP 565 Cb 1.02 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.86 2x41 h ASP 565 CO -0.71 0.00 -0.63 -3.20 -2.88 0.00 0.00 179.24 171.81 2x41 n ASN 566 N -2.34 -1.77 -4.69 2.28 5.15 0.34 -5.12 115.26 109.11 2x41 n ASN 566 Ca 0.05 -3.41 -0.44 0.00 -0.60 0.00 0.00 54.58 50.18 2x41 n ASN 566 Cb 0.39 1.28 -0.04 0.00 -0.53 0.00 0.00 39.78 40.89 2x41 n ASN 566 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2x41 n PRO 567 N 0.78 2.50 -0.01 1.20 -0.02 -0.19 -4.03 135.00 135.24 2x41 n PRO 567 Ca 0.11 0.91 0.09 0.00 -2.02 0.00 0.00 63.50 62.59 2x41 n PRO 567 Cb 0.66 -2.75 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 2x41 n PRO 567 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2x41 n GLN 568 N 4.72 0.63 -3.69 -0.52 1.13 0.20 -4.57 117.38 115.28 2x41 n GLN 568 Ca 0.18 -0.14 -0.13 0.00 -1.94 0.00 0.00 57.00 54.97 2x41 n GLN 568 Cb 0.33 -1.40 -0.07 0.00 0.11 0.00 0.00 30.24 29.22 2x41 n GLN 568 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2x41 s LYS 569 N -3.13 0.88 -0.04 -1.09 -2.85 -1.02 -0.65 119.74 111.84 2x41 s LYS 569 Ca -0.05 -0.35 -0.01 0.00 -1.00 0.00 0.00 55.97 54.56 2x41 s LYS 569 Cb 0.11 0.39 0.03 0.00 -2.06 0.00 0.00 37.83 36.31 2x41 s LYS 569 CO 0.72 -0.29 0.07 0.54 0.10 0.00 0.00 175.35 176.49 2x41 s VAL 570 N -2.32 -0.06 -0.18 1.79 0.11 -0.36 -0.18 120.40 119.20 2x41 s VAL 570 Ca -0.06 0.21 -0.06 0.00 -2.93 0.00 0.00 61.98 59.14 2x41 s VAL 570 Cb -0.01 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.66 2x41 s VAL 570 CO -0.01 0.09 0.03 -0.69 -3.33 0.00 0.00 175.10 171.19 2x41 s VAL 571 N 1.15 4.50 -1.33 2.04 1.01 -1.26 -0.94 120.40 125.57 2x41 s VAL 571 Ca -0.09 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 2x41 s VAL 571 Cb -0.12 -3.02 0.09 0.00 0.00 0.00 0.00 36.38 33.33 2x41 s VAL 571 CO -0.04 0.46 1.83 -1.22 0.00 0.00 0.00 175.10 176.13 2x41 n TYR 572 N 3.63 4.23 0.08 5.22 4.02 0.04 -4.73 117.16 129.65 2x41 n TYR 572 Ca -0.17 -2.96 0.03 0.00 -0.01 0.00 0.00 57.90 54.79 2x41 n TYR 572 Cb 0.52 -2.46 0.42 0.00 -0.02 0.00 0.00 39.34 37.79 2x41 n TYR 572 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2x41 h GLU 573 N 6.87 0.36 0.00 -0.72 4.39 -1.92 -1.71 114.58 121.85 2x41 h GLU 573 Ca 0.45 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.10 2x41 h GLU 573 Cb 0.78 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2x41 h GLU 573 CO 1.56 0.36 0.00 1.05 -1.16 0.00 0.00 179.01 180.81 2x41 h GLU 574 N 0.35 0.00 0.00 2.33 9.09 -1.85 -3.48 114.58 121.02 2x41 h GLU 574 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.49 2x41 h GLU 574 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 2x41 h GLU 574 CO -0.00 0.00 0.00 -3.47 0.05 0.00 0.00 179.01 175.59 2x41 n ASP 575 N -3.09 0.00 0.19 3.06 -0.08 -0.64 -1.32 116.55 114.67 2x41 n ASP 575 Ca 0.02 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.44 2x41 n ASP 575 Cb 0.39 0.00 0.63 0.00 2.34 0.00 0.00 41.12 44.48 2x41 n ASP 575 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2x41 h ILE 576 N 0.00 0.00 -0.93 5.18 3.07 -1.90 -3.35 117.51 119.58 2x41 h ILE 576 Ca 0.00 -0.25 -0.74 0.00 1.55 0.00 0.00 64.86 65.42 2x41 h ILE 576 Cb 0.00 1.04 -0.11 0.00 -0.27 0.00 0.00 36.82 37.48 2x41 h ILE 576 CO 0.00 0.00 2.38 -1.22 -1.05 0.00 0.00 178.15 178.26 2x41 n TYR 577 N -2.55 3.33 -4.37 0.16 4.02 -0.44 -4.81 117.16 112.51 2x41 n TYR 577 Ca 0.01 -2.89 -0.29 0.00 -0.01 0.00 0.00 57.90 54.72 2x41 n TYR 577 Cb 0.21 -2.20 -0.12 0.00 -0.02 0.00 0.00 39.34 37.20 2x41 n TYR 577 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2x41 s VAL 578 N 1.57 2.53 0.00 -0.72 0.11 -1.26 -4.17 120.40 118.46 2x41 s VAL 578 Ca 0.43 -1.62 0.00 0.00 -2.93 0.00 0.00 61.98 57.86 2x41 s VAL 578 Cb 0.10 -2.13 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 2x41 s VAL 578 CO -0.02 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.46 2x41 n GLY 579 N 0.90 2.04 0.31 6.54 0.00 -1.26 -2.79 105.19 110.93 2x41 n GLY 579 Ca -0.17 -0.45 0.16 0.00 0.00 0.00 0.00 46.02 45.56 2x41 n GLY 579 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2x41 h TYR 580 N 0.00 0.00 -0.79 1.61 -0.00 -1.95 0.21 116.97 116.04 2x41 h TYR 580 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.73 58.81 2x41 h TYR 580 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 36.68 2x41 h TYR 580 CO 0.00 0.00 0.52 0.00 -0.00 0.00 0.00 178.16 178.68 2x41 h ARG 581 N 0.00 0.75 0.08 0.10 3.08 -1.83 -0.84 114.38 115.72 2x41 h ARG 581 Ca 0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2x41 h ARG 581 Cb 0.05 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2x41 h ARG 581 CO -0.00 0.50 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.44 2x41 h TYR 582 N 0.78 -0.10 -0.85 3.04 3.20 -1.08 -2.87 116.97 119.09 2x41 h TYR 582 Ca 0.36 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 2x41 h TYR 582 Cb 0.37 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 2x41 h TYR 582 CO -0.00 0.44 0.49 1.88 -1.64 0.00 0.00 178.16 179.33 2x41 h TYR 583 N -0.74 1.13 -0.12 -3.82 0.05 -1.46 -1.42 116.97 110.60 2x41 h TYR 583 Ca -0.01 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.69 2x41 h TYR 583 Cb 0.58 -0.37 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 2x41 h TYR 583 CO 0.12 0.77 -0.19 -0.44 -1.05 0.00 0.00 178.16 177.36 2x41 h ASP 584 N 1.18 0.37 -0.46 3.88 3.32 -1.30 -1.83 116.42 121.59 2x41 h ASP 584 Ca 0.30 -0.54 -0.11 0.00 0.02 0.00 0.00 57.03 56.70 2x41 h ASP 584 Cb -0.02 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2x41 h ASP 584 CO -0.05 0.84 -0.14 0.74 -1.72 0.00 0.00 179.24 178.90 2x41 h THR 585 N -0.09 1.27 -0.34 0.35 2.02 -1.24 -3.25 112.91 111.64 2x41 h THR 585 Ca 0.01 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.92 2x41 h THR 585 Cb 0.76 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2x41 h THR 585 CO 0.04 0.44 0.00 0.49 0.37 0.00 0.00 175.52 176.87 2x41 n PHE 586 N -4.14 0.46 -2.61 3.16 3.01 -0.57 -4.91 117.46 111.86 2x41 n PHE 586 Ca 0.01 -0.50 -0.11 0.00 1.01 0.00 0.00 57.45 57.86 2x41 n PHE 586 Cb 0.41 -0.03 0.02 0.00 -0.01 0.00 0.00 39.48 39.86 2x41 n PHE 586 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2x41 n GLY 587 N 0.48 0.09 3.69 1.37 0.00 -0.92 -5.01 105.19 104.88 2x41 n GLY 587 Ca 0.11 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2x41 n GLY 587 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x41 s VAL 588 N -2.83 5.31 -0.17 1.61 1.01 -0.73 -5.05 120.40 119.54 2x41 s VAL 588 Ca 0.14 0.42 -0.22 0.00 0.00 0.00 0.00 61.98 62.32 2x41 s VAL 588 Cb -0.06 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2x41 s VAL 588 CO 0.18 0.34 0.70 -0.70 0.00 0.00 0.00 175.10 175.61 2x41 s GLU 589 N 0.93 4.27 0.72 2.72 2.12 -1.26 -4.55 118.70 123.64 2x41 s GLU 589 Ca 0.13 0.77 -0.12 0.00 0.36 0.00 0.00 54.97 56.12 2x41 s GLU 589 Cb -0.13 -3.56 0.02 0.00 0.26 0.00 0.00 34.13 30.72 2x41 s GLU 589 CO 0.05 -0.22 1.10 -2.14 -0.54 0.00 0.00 175.26 173.51 2x41 s PRO 590 N 1.81 2.77 0.00 4.30 0.02 -1.26 -4.38 135.00 138.26 2x41 s PRO 590 Ca 0.33 0.43 -0.25 0.00 0.02 0.00 0.00 61.00 61.53 2x41 s PRO 590 Cb -0.16 -2.01 -0.18 0.00 0.02 0.00 0.00 34.50 32.16 2x41 s PRO 590 CO 0.12 -1.09 1.30 0.00 -0.33 0.00 0.00 177.00 177.00 2x41 h ALA 591 N -0.69 -0.15 -3.49 -1.55 0.00 0.39 -3.44 119.26 110.33 2x41 h ALA 591 Ca -0.45 -0.19 -0.36 0.00 0.00 0.00 0.00 54.91 53.91 2x41 h ALA 591 Cb 1.26 0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.77 2x41 h ALA 591 CO 0.64 -0.39 -0.75 0.71 0.00 0.00 0.00 179.25 179.45 2x41 s TYR 592 N -4.60 0.44 0.54 0.00 2.02 -0.83 -4.99 117.35 109.94 2x41 s TYR 592 Ca -0.15 -0.06 -0.11 0.00 -0.37 0.00 0.00 57.07 56.38 2x41 s TYR 592 Cb 0.02 -0.49 -0.05 0.00 -0.40 0.00 0.00 41.96 41.05 2x41 s TYR 592 CO 0.62 -0.15 0.94 -1.83 -1.57 0.00 0.00 175.55 173.56 2x41 s GLU 593 N 0.99 3.69 0.12 -0.62 1.03 -1.26 -1.03 118.70 121.61 2x41 s GLU 593 Ca -0.10 0.66 -0.35 0.00 0.03 0.00 0.00 54.97 55.20 2x41 s GLU 593 Cb -0.14 -2.19 -0.16 0.00 -0.80 0.00 0.00 34.13 30.84 2x41 s GLU 593 CO -0.01 -0.37 1.25 0.34 -1.33 0.00 0.00 175.26 175.14 2x41 n PHE 594 N -2.21 1.38 -0.86 4.83 7.35 -1.26 -1.61 117.46 125.07 2x41 n PHE 594 Ca 0.05 0.67 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 2x41 n PHE 594 Cb 0.54 -2.30 0.00 0.00 0.35 0.00 0.00 39.48 38.07 2x41 n PHE 594 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x41 n GLY 595 N 2.27 0.76 3.75 7.13 0.00 0.45 -1.89 105.19 117.66 2x41 n GLY 595 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2x41 n GLY 595 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2x41 s TYR 596 N -2.89 3.86 -0.29 1.61 5.04 -0.64 -4.00 117.35 120.03 2x41 s TYR 596 Ca 0.00 1.72 -0.23 0.00 -2.44 0.00 0.00 57.07 56.12 2x41 s TYR 596 Cb 0.00 -2.92 0.17 0.00 0.35 0.00 0.00 41.96 39.56 2x41 s TYR 596 CO 0.00 0.35 1.29 0.20 -1.34 0.00 0.00 175.55 176.04 2x41 s GLY 597 N -0.54 0.26 0.56 8.97 0.00 -1.26 -0.70 107.32 114.62 2x41 s GLY 597 Ca 0.41 3.36 0.07 0.00 0.00 0.00 0.00 44.72 48.56 2x41 s GLY 597 CO 0.28 2.09 0.77 1.08 0.00 0.00 0.00 173.10 177.33 2x41 s LEU 598 N 0.33 3.22 0.07 0.66 1.43 0.28 -4.96 118.68 119.70 2x41 s LEU 598 Ca 0.03 -0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 2x41 s LEU 598 Cb -0.04 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2x41 s LEU 598 CO -0.13 -1.28 0.08 -0.55 0.23 0.00 0.00 176.35 174.71 2x41 s SER 599 N -4.59 0.29 0.00 2.29 0.15 -1.26 -4.40 113.70 106.18 2x41 s SER 599 Ca 0.61 -0.79 0.26 0.00 0.70 0.00 0.00 55.95 56.72 2x41 s SER 599 Cb -0.07 0.27 1.28 0.00 -1.71 0.00 0.00 66.02 65.79 2x41 s SER 599 CO 0.38 -0.65 1.87 -1.22 1.20 0.00 0.00 173.24 174.83 2x41 n TYR 600 N 0.11 0.00 -4.40 3.44 4.01 -1.26 -4.82 117.16 114.23 2x41 n TYR 600 Ca -0.15 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.39 2x41 n TYR 600 Cb 0.61 -0.31 -0.05 0.00 -0.31 0.00 0.00 39.34 39.28 2x41 n TYR 600 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 2x41 n THR 601 N -1.31 0.00 -4.41 -0.72 5.66 -1.26 -4.72 114.28 107.52 2x41 n THR 601 Ca 0.11 -1.82 -0.24 0.00 -3.05 0.00 0.00 64.05 59.05 2x41 n THR 601 Cb 0.22 0.62 -0.11 0.00 -1.55 0.00 0.00 70.33 69.51 2x41 n THR 601 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2x41 s THR 602 N -2.68 2.23 0.01 1.09 -4.23 -1.26 -4.94 115.64 105.86 2x41 s THR 602 Ca 0.14 -2.13 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 2x41 s THR 602 Cb 0.01 -2.11 -0.01 0.00 1.34 0.00 0.00 72.50 71.72 2x41 s THR 602 CO 0.10 -0.28 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.44 2x41 s PHE 603 N -2.10 0.92 -0.14 3.99 0.40 -1.26 -1.27 117.98 118.52 2x41 s PHE 603 Ca 0.23 -0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.31 2x41 s PHE 603 Cb -0.06 -0.58 -0.01 0.00 0.51 0.00 0.00 43.02 42.88 2x41 s PHE 603 CO 0.10 -0.01 -0.11 -2.00 0.70 0.00 0.00 175.22 173.91 2x41 s GLU 604 N -0.56 3.41 -0.06 0.44 2.56 -0.23 -4.91 118.70 119.36 2x41 s GLU 604 Ca 0.02 -0.66 -0.14 0.00 0.00 0.00 0.00 54.97 54.19 2x41 s GLU 604 Cb -0.05 -2.71 -0.05 0.00 2.00 0.00 0.00 34.13 33.32 2x41 s GLU 604 CO 0.00 0.16 0.36 0.71 -0.56 0.00 0.00 175.26 175.92 2x41 s TYR 605 N 0.51 3.64 0.33 5.30 4.12 -1.26 -1.39 117.35 128.60 2x41 s TYR 605 Ca -0.08 0.85 -0.14 0.00 0.02 0.00 0.00 57.07 57.72 2x41 s TYR 605 Cb -0.15 -2.27 0.03 0.00 -1.52 0.00 0.00 41.96 38.04 2x41 s TYR 605 CO 0.04 0.54 0.66 -1.54 0.02 0.00 0.00 175.55 175.27 2x41 s SER 606 N -0.63 0.09 -1.25 2.29 1.04 0.23 -4.97 113.70 110.51 2x41 s SER 606 Ca 0.21 -1.05 -0.03 0.00 0.48 0.00 0.00 55.95 55.57 2x41 s SER 606 Cb -0.15 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2x41 s SER 606 CO 0.10 -1.45 1.05 0.47 0.98 0.00 0.00 173.24 174.40 2x41 n ASP 607 N -1.01 -3.29 -4.71 7.02 8.00 -1.26 0.14 116.55 121.43 2x41 n ASP 607 Ca -0.04 -0.60 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 2x41 n ASP 607 Cb 0.60 -5.09 -0.03 0.00 -0.02 0.00 0.00 41.12 36.58 2x41 n ASP 607 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2x41 s LEU 608 N -6.64 4.37 -0.09 0.64 2.96 -1.26 -4.04 118.68 114.62 2x41 s LEU 608 Ca 0.17 2.30 -0.00 0.00 -0.22 0.00 0.00 54.13 56.38 2x41 s LEU 608 Cb -0.08 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.05 2x41 s LEU 608 CO 0.73 -0.65 -0.07 0.21 -1.32 0.00 0.00 176.35 175.25 2x41 s ASN 609 N 1.20 1.89 -0.10 3.68 3.84 0.40 -4.99 114.94 120.86 2x41 s ASN 609 Ca 0.64 -0.25 0.01 0.00 0.21 0.00 0.00 52.86 53.48 2x41 s ASN 609 Cb -0.36 -0.73 -0.02 0.00 -0.55 0.00 0.00 41.25 39.59 2x41 s ASN 609 CO 0.30 -0.10 -0.14 -0.69 -2.79 0.00 0.00 177.10 173.68 2x41 s VAL 610 N 1.52 3.04 -0.01 -5.21 1.01 -1.26 -1.12 120.40 118.37 2x41 s VAL 610 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 2x41 s VAL 610 Cb -0.13 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.01 2x41 s VAL 610 CO -0.05 0.55 0.19 -0.94 0.00 0.00 0.00 175.10 174.84 2x41 s SER 611 N 0.02 -0.04 -0.04 3.32 1.04 -0.63 -5.01 113.70 112.35 2x41 s SER 611 Ca -0.04 -0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.28 2x41 s SER 611 Cb -0.14 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.26 2x41 s SER 611 CO 0.04 -0.37 0.08 0.12 0.98 0.00 0.00 173.24 174.09 2x41 s PHE 612 N -1.28 -0.02 -1.46 5.02 5.36 -1.26 -0.05 117.98 124.29 2x41 s PHE 612 Ca -0.14 0.31 0.19 0.00 -0.96 0.00 0.00 56.93 56.33 2x41 s PHE 612 Cb -0.07 -0.31 0.60 0.00 -0.34 0.00 0.00 43.02 42.90 2x41 s PHE 612 CO 0.02 -0.17 1.51 -0.40 -1.46 0.00 0.00 175.22 174.72 2x41 n ASP 613 N 4.80 3.99 0.00 6.13 5.68 -1.05 -4.91 116.55 131.18 2x41 n ASP 613 Ca -0.15 -2.17 0.00 0.00 -0.50 0.00 0.00 54.79 51.98 2x41 n ASP 613 Cb 0.50 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 2x41 n ASP 613 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2x41 n GLY 614 N 1.20 1.88 0.00 6.12 0.00 -1.26 -4.77 105.19 108.35 2x41 n GLY 614 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2x41 n GLY 614 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2x41 n GLU 615 N -2.00 1.86 -4.13 1.61 4.07 -1.26 -4.89 120.64 115.89 2x41 n GLU 615 Ca 0.00 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 2x41 n GLU 615 Cb 0.00 -0.75 -0.16 0.00 -0.06 0.00 0.00 31.44 30.47 2x41 n GLU 615 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2x41 s THR 616 N -1.50 0.45 -0.24 6.31 2.01 -1.26 -1.30 115.64 120.10 2x41 s THR 616 Ca 0.00 -0.11 -0.16 0.00 0.31 0.00 0.00 61.69 61.72 2x41 s THR 616 Cb 0.00 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 2x41 s THR 616 CO 0.00 0.19 0.44 -0.22 -0.69 0.00 0.00 174.62 174.34 2x41 s LEU 617 N 0.69 4.08 -0.22 4.42 2.96 0.10 -2.54 118.68 128.17 2x41 s LEU 617 Ca -0.09 0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 54.24 2x41 s LEU 617 Cb -0.12 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.00 2x41 s LEU 617 CO -0.00 -0.19 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.22 2x41 s ARG 618 N 1.92 3.47 -0.16 1.98 3.52 0.93 -0.21 118.95 130.40 2x41 s ARG 618 Ca 0.19 -0.58 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 2x41 s ARG 618 Cb -0.15 -3.08 0.01 0.00 -1.56 0.00 0.00 34.95 30.17 2x41 s ARG 618 CO 0.09 -0.16 -0.19 0.14 -0.81 0.00 0.00 175.30 174.37 2x41 s VAL 619 N 1.42 2.26 0.04 7.11 -7.23 0.25 -1.60 120.40 122.64 2x41 s VAL 619 Ca 0.05 -0.89 0.07 0.00 -1.81 0.00 0.00 61.98 59.40 2x41 s VAL 619 Cb -0.14 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 2x41 s VAL 619 CO -0.01 0.53 -0.21 -1.58 -0.31 0.00 0.00 175.10 173.53 2x41 s GLN 620 N 1.02 1.42 0.28 4.82 0.74 -0.28 -0.94 119.66 126.72 2x41 s GLN 620 Ca -0.02 -0.91 -0.20 0.00 0.05 0.00 0.00 55.36 54.28 2x41 s GLN 620 Cb -0.15 -1.51 0.04 0.00 1.10 0.00 0.00 33.01 32.50 2x41 s GLN 620 CO -0.05 0.39 0.80 1.52 -0.55 0.00 0.00 175.29 177.40 2x41 s TYR 621 N -0.76 -0.08 0.02 1.67 1.13 -0.79 -0.45 117.35 118.08 2x41 s TYR 621 Ca 0.07 -0.40 0.09 0.00 -1.41 0.00 0.00 57.07 55.42 2x41 s TYR 621 Cb -0.09 0.73 -0.02 0.00 -1.10 0.00 0.00 41.96 41.48 2x41 s TYR 621 CO 0.01 -1.23 -0.25 0.50 -2.51 0.00 0.00 175.55 172.07 2x41 s ARG 622 N -3.28 1.85 -0.13 -3.49 3.52 0.12 -0.15 118.95 117.39 2x41 s ARG 622 Ca 0.13 -1.01 0.02 0.00 -0.13 0.00 0.00 55.73 54.74 2x41 s ARG 622 Cb -0.05 -1.93 0.01 0.00 -1.56 0.00 0.00 34.95 31.43 2x41 s ARG 622 CO 0.07 0.51 -0.18 0.42 -0.81 0.00 0.00 175.30 175.31 2x41 s ILE 623 N -0.72 1.79 -0.02 4.11 1.01 -0.79 -0.60 121.20 125.99 2x41 s ILE 623 Ca 0.11 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.99 2x41 s ILE 623 Cb -0.10 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 2x41 s ILE 623 CO 0.01 0.50 -0.14 -0.70 0.00 0.00 0.00 174.94 174.61 2x41 s GLU 624 N 1.02 2.41 -0.60 2.79 2.12 -0.48 -1.02 118.70 124.94 2x41 s GLU 624 Ca -0.04 -0.77 -0.28 0.00 0.36 0.00 0.00 54.97 54.25 2x41 s GLU 624 Cb -0.15 -2.35 0.03 0.00 0.26 0.00 0.00 34.13 31.92 2x41 s GLU 624 CO -0.04 0.60 1.20 1.21 -0.54 0.00 0.00 175.26 177.69 2x41 s ASN 625 N -0.99 6.41 0.00 -1.70 3.84 0.34 -1.06 114.94 121.78 2x41 s ASN 625 Ca 0.13 0.03 0.21 0.00 0.21 0.00 0.00 52.86 53.45 2x41 s ASN 625 Cb -0.11 -2.55 0.61 0.00 -0.55 0.00 0.00 41.25 38.65 2x41 s ASN 625 CO 0.03 -1.52 1.51 0.35 -2.79 0.00 0.00 177.10 174.67 2x41 n THR 626 N 6.63 0.92 -2.44 -5.21 -2.24 -0.40 -0.25 114.28 111.30 2x41 n THR 626 Ca 0.08 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2x41 n THR 626 Cb 0.49 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2x41 n THR 626 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x41 n GLY 627 N 1.60 2.34 0.54 3.38 0.00 -1.18 -4.79 105.19 107.09 2x41 n GLY 627 Ca 0.23 -2.07 0.06 0.00 0.00 0.00 0.00 46.02 44.23 2x41 n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x41 n GLY 628 N 5.00 1.05 3.06 -0.02 0.00 -1.26 -4.55 105.19 108.46 2x41 n GLY 628 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 2x41 n GLY 628 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x41 s ARG 629 N -0.97 0.70 0.60 1.61 0.52 -1.26 -4.87 118.95 115.28 2x41 s ARG 629 Ca 0.18 -0.52 -0.19 0.00 -0.52 0.00 0.00 55.73 54.68 2x41 s ARG 629 Cb 0.11 -0.65 -0.03 0.00 0.52 0.00 0.00 34.95 34.90 2x41 s ARG 629 CO 0.15 0.16 1.26 0.00 0.02 0.00 0.00 175.30 176.89 2x41 s ALA 630 N -0.62 2.54 -0.23 2.13 0.00 -1.26 -4.52 121.76 119.81 2x41 s ALA 630 Ca 0.00 1.12 -0.36 0.00 0.00 0.00 0.00 51.96 52.72 2x41 s ALA 630 Cb -0.06 -3.50 0.15 0.00 0.00 0.00 0.00 23.12 19.71 2x41 s ALA 630 CO 0.00 -1.32 1.28 0.20 0.00 0.00 0.00 175.76 175.92 2x41 s GLY 631 N -1.42 -0.25 0.01 0.00 0.00 -0.40 -4.76 107.32 100.50 2x41 s GLY 631 Ca 0.78 1.74 -0.02 0.00 0.00 0.00 0.00 44.72 47.22 2x41 s GLY 631 CO 0.37 0.58 0.19 0.54 0.00 0.00 0.00 173.10 174.79 2x41 s LYS 632 N -2.25 3.44 -0.11 2.90 1.02 -1.26 -1.98 119.74 121.51 2x41 s LYS 632 Ca 0.10 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.77 2x41 s LYS 632 Cb -0.01 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 2x41 s LYS 632 CO -0.04 0.65 -0.24 -2.00 -0.92 0.00 0.00 175.35 172.81 2x41 s GLU 633 N -2.14 3.03 -0.23 1.68 2.56 -1.26 -4.72 118.70 117.63 2x41 s GLU 633 Ca 0.30 -0.87 -0.18 0.00 0.00 0.00 0.00 54.97 54.21 2x41 s GLU 633 Cb -0.13 -2.31 -0.03 0.00 2.00 0.00 0.00 34.13 33.66 2x41 s GLU 633 CO 0.22 0.15 0.53 0.08 -0.56 0.00 0.00 175.26 175.67 2x41 s VAL 634 N 0.42 5.08 0.03 3.70 1.01 -1.26 -1.66 120.40 127.71 2x41 s VAL 634 Ca -0.17 0.94 0.04 0.00 0.00 0.00 0.00 61.98 62.80 2x41 s VAL 634 Cb -0.18 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2x41 s VAL 634 CO 0.07 0.13 -0.08 -0.94 0.00 0.00 0.00 175.10 174.28 2x41 s SER 635 N 1.32 4.52 -0.06 3.32 1.04 0.11 -4.72 113.70 119.23 2x41 s SER 635 Ca 0.23 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.48 2x41 s SER 635 Cb -0.15 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 64.97 2x41 s SER 635 CO 0.09 0.26 -0.16 -1.10 0.98 0.00 0.00 173.24 173.31 2x41 s GLN 636 N -1.58 1.95 -0.37 4.02 -0.21 -0.47 -1.15 119.66 121.86 2x41 s GLN 636 Ca 0.18 -0.58 -0.10 0.00 0.02 0.00 0.00 55.36 54.88 2x41 s GLN 636 Cb -0.11 -1.61 0.03 0.00 1.00 0.00 0.00 33.01 32.32 2x41 s GLN 636 CO 0.09 0.15 0.19 0.08 -2.12 0.00 0.00 175.29 173.68 2x41 s VAL 637 N 0.32 4.43 -0.11 1.09 1.01 0.24 -0.32 120.40 127.06 2x41 s VAL 637 Ca -0.10 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 2x41 s VAL 637 Cb -0.14 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2x41 s VAL 637 CO 0.04 -0.22 0.14 -0.31 0.00 0.00 0.00 175.10 174.75 2x41 s TYR 638 N 1.53 3.58 -0.15 5.22 1.51 0.57 -1.20 117.35 128.41 2x41 s TYR 638 Ca 0.01 0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 56.55 2x41 s TYR 638 Cb -0.19 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.72 2x41 s TYR 638 CO 0.06 0.72 -0.09 0.42 -1.11 0.00 0.00 175.55 175.55 2x41 s ILE 639 N -1.06 3.30 -0.40 2.71 -1.09 -0.10 -0.55 121.20 124.01 2x41 s ILE 639 Ca 0.16 -0.56 -0.12 0.00 -2.23 0.00 0.00 60.65 57.90 2x41 s ILE 639 Cb -0.12 -2.42 0.04 0.00 -1.58 0.00 0.00 42.46 38.37 2x41 s ILE 639 CO 0.06 0.50 0.26 -0.75 -1.23 0.00 0.00 174.94 173.77 2x41 s LYS 640 N 0.59 2.85 0.53 2.79 2.20 -0.31 -1.61 119.74 126.77 2x41 s LYS 640 Ca -0.06 -1.15 -0.17 0.00 -0.36 0.00 0.00 55.97 54.23 2x41 s LYS 640 Cb -0.15 -3.85 -0.07 0.00 -1.51 0.00 0.00 37.83 32.25 2x41 s LYS 640 CO 0.03 -0.79 1.01 0.00 -0.36 0.00 0.00 175.35 175.24 2x41 s ALA 641 N 1.58 2.93 0.67 3.13 0.00 -1.26 -1.60 121.76 127.21 2x41 s ALA 641 Ca 0.03 0.33 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 2x41 s ALA 641 Cb -0.20 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.75 2x41 s ALA 641 CO 0.07 -0.38 1.18 -2.14 0.00 0.00 0.00 175.76 174.48 2x41 s PRO 642 N -3.85 2.57 0.16 0.00 0.02 -1.25 -4.94 135.00 127.71 2x41 s PRO 642 Ca 0.62 1.67 -0.15 0.00 0.02 0.00 0.00 61.00 63.16 2x41 s PRO 642 Cb -0.13 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.54 2x41 s PRO 642 CO 0.29 -1.48 1.81 0.87 -0.33 0.00 0.00 177.00 178.16 2x41 h LYS 643 N 0.14 0.64 0.00 5.54 1.79 -1.92 -3.45 116.57 119.31 2x41 h LYS 643 Ca -0.48 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 2x41 h LYS 643 Cb 1.28 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2x41 h LYS 643 CO 0.52 0.45 0.00 0.41 -1.08 0.00 0.00 179.45 179.75 2x41 n GLY 644 N -1.17 2.53 0.10 3.86 0.00 -1.26 -3.42 105.19 105.83 2x41 n GLY 644 Ca 0.02 0.36 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 2x41 n GLY 644 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x41 n LYS 645 N 8.38 0.74 -4.32 1.61 5.02 -1.26 -5.01 118.16 123.31 2x41 n LYS 645 Ca 0.00 0.09 -0.25 0.00 -2.02 0.00 0.00 58.31 56.13 2x41 n LYS 645 Cb 0.00 -1.42 -0.12 0.00 -0.02 0.00 0.00 35.03 33.46 2x41 n LYS 645 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2x41 s ILE 646 N -2.42 1.89 0.45 -0.18 2.07 -1.22 -5.11 121.20 116.68 2x41 s ILE 646 Ca -0.23 -1.68 -0.25 0.00 -1.41 0.00 0.00 60.65 57.08 2x41 s ILE 646 Cb 0.07 -1.73 -0.08 0.00 0.13 0.00 0.00 42.46 40.84 2x41 s ILE 646 CO 0.54 -0.06 1.41 1.51 -1.91 0.00 0.00 174.94 176.42 2x41 s ASP 647 N -2.10 5.89 0.05 4.50 -4.77 -1.26 -4.88 116.67 114.10 2x41 s ASP 647 Ca 0.10 2.88 -0.11 0.00 -3.30 0.00 0.00 52.55 52.12 2x41 s ASP 647 Cb -0.09 -2.65 0.01 0.00 -1.09 0.00 0.00 42.92 39.10 2x41 s ASP 647 CO 0.05 -1.16 0.24 -0.54 0.70 0.00 0.00 175.17 174.47 2x41 s LYS 648 N -2.45 0.77 0.85 2.11 1.02 -1.26 -5.08 119.74 115.70 2x41 s LYS 648 Ca 0.61 -0.64 -0.12 0.00 0.02 0.00 0.00 55.97 55.84 2x41 s LYS 648 Cb -0.43 0.32 0.11 0.00 -0.52 0.00 0.00 37.83 37.31 2x41 s LYS 648 CO 0.55 -0.24 1.18 -2.30 -0.92 0.00 0.00 175.35 173.62 2x41 n PRO 649 N 0.50 -0.05 -0.25 -1.68 -0.02 -1.26 -4.90 135.00 127.35 2x41 n PRO 649 Ca -0.18 0.07 0.06 0.00 -2.02 0.00 0.00 63.50 61.43 2x41 n PRO 649 Cb 0.60 -2.42 0.18 0.00 -0.02 0.00 0.00 33.50 31.84 2x41 n PRO 649 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2x41 h PHE 650 N -1.26 0.13 -3.15 6.00 3.57 -1.88 -3.45 116.94 116.91 2x41 h PHE 650 Ca -0.45 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.07 2x41 h PHE 650 Cb 1.29 0.06 -0.12 0.00 2.79 0.00 0.00 35.95 39.97 2x41 h PHE 650 CO 0.48 -0.17 0.11 1.14 -2.23 0.00 0.00 178.31 177.64 2x41 s GLN 651 N -6.07 1.27 -0.02 1.11 -2.07 -1.26 -4.59 119.66 108.04 2x41 s GLN 651 Ca -0.13 -0.63 0.00 0.00 -1.82 0.00 0.00 55.36 52.79 2x41 s GLN 651 Cb 0.22 0.55 0.02 0.00 -1.09 0.00 0.00 33.01 32.71 2x41 s GLN 651 CO 0.76 -0.54 0.00 -1.21 -1.32 0.00 0.00 175.29 172.98 2x41 s GLU 652 N -3.79 0.17 0.13 9.60 2.02 -0.63 -4.81 118.70 121.38 2x41 s GLU 652 Ca 0.03 0.06 -0.31 0.00 0.02 0.00 0.00 54.97 54.78 2x41 s GLU 652 Cb -0.01 -0.33 -0.10 0.00 0.10 0.00 0.00 34.13 33.79 2x41 s GLU 652 CO -0.10 -0.09 1.83 -1.17 0.02 0.00 0.00 175.26 175.74 2x41 s LEU 653 N 0.73 4.40 -0.00 1.80 2.96 -1.26 -0.93 118.68 126.38 2x41 s LEU 653 Ca -0.07 2.77 0.00 0.00 -0.22 0.00 0.00 54.13 56.62 2x41 s LEU 653 Cb -0.10 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 2x41 s LEU 653 CO -0.02 -1.01 0.01 0.29 -1.32 0.00 0.00 176.35 174.31 2x41 n LYS 654 N 5.59 0.88 -3.80 1.98 4.76 -0.34 -4.81 118.16 122.43 2x41 n LYS 654 Ca 0.18 -0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.52 2x41 n LYS 654 Cb 0.38 -1.01 -0.05 0.00 -1.84 0.00 0.00 35.03 32.51 2x41 n LYS 654 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x41 s ALA 655 N -2.03 -0.57 0.20 7.82 0.00 -1.12 -5.00 121.76 121.07 2x41 s ALA 655 Ca -0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.31 2x41 s ALA 655 Cb 0.00 0.78 0.05 0.00 0.00 0.00 0.00 23.12 23.95 2x41 s ALA 655 CO 0.02 -0.69 0.63 -0.59 0.00 0.00 0.00 175.76 175.14 2x41 s PHE 656 N -3.89 -0.40 0.03 0.00 -0.71 -1.26 -0.59 117.98 111.16 2x41 s PHE 656 Ca 0.10 0.10 -0.19 0.00 -1.04 0.00 0.00 56.93 55.90 2x41 s PHE 656 Cb 0.02 0.60 0.04 0.00 -1.21 0.00 0.00 43.02 42.46 2x41 s PHE 656 CO -0.05 -0.98 0.43 -1.58 -1.34 0.00 0.00 175.22 171.70 2x41 s HIS 657 N -3.81 -0.30 -0.06 3.49 2.46 -0.30 -5.00 115.29 111.77 2x41 s HIS 657 Ca 0.05 0.31 -0.00 0.00 0.47 0.00 0.00 55.06 55.89 2x41 s HIS 657 Cb -0.03 0.23 0.02 0.00 -0.13 0.00 0.00 32.58 32.68 2x41 s HIS 657 CO -0.06 -0.56 -0.03 0.21 -2.47 0.00 0.00 174.74 171.83 2x41 s LYS 658 N -2.25 0.79 0.87 2.88 2.20 -1.26 -0.71 119.74 122.25 2x41 s LYS 658 Ca -0.07 -0.03 -0.11 0.00 -0.36 0.00 0.00 55.97 55.41 2x41 s LYS 658 Cb -0.01 -0.95 0.11 0.00 -1.51 0.00 0.00 37.83 35.47 2x41 s LYS 658 CO -0.01 -0.19 1.09 -0.08 -0.36 0.00 0.00 175.35 175.81 2x41 s THR 659 N 1.42 2.81 1.33 3.43 -1.32 -0.66 -4.96 115.64 117.68 2x41 s THR 659 Ca -0.03 0.26 -0.22 0.00 -1.21 0.00 0.00 61.69 60.49 2x41 s THR 659 Cb -0.13 -2.74 0.33 0.00 -1.51 0.00 0.00 72.50 68.45 2x41 s THR 659 CO -0.03 -0.34 1.03 0.00 -2.21 0.00 0.00 174.62 173.06 2x41 s ARG 660 N -4.92 -2.20 -0.47 7.08 1.70 -1.26 -4.53 118.95 114.34 2x41 s ARG 660 Ca 0.63 -0.03 -0.28 0.00 -0.47 0.00 0.00 55.73 55.58 2x41 s ARG 660 Cb -0.18 -1.48 -0.00 0.00 -0.57 0.00 0.00 34.95 32.72 2x41 s ARG 660 CO 0.57 -4.36 1.63 -1.17 -1.08 0.00 0.00 175.30 170.88 2x41 s LEU 661 N -7.42 3.44 -0.18 -1.89 2.96 -1.26 -4.38 118.68 109.96 2x41 s LEU 661 Ca 0.70 0.71 -0.16 0.00 -0.22 0.00 0.00 54.13 55.16 2x41 s LEU 661 Cb -0.10 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 2x41 s LEU 661 CO 0.57 -1.80 0.40 -0.76 -1.32 0.00 0.00 176.35 173.43 2x41 s LEU 662 N 6.86 4.19 0.69 -0.68 1.43 -0.84 -4.85 118.68 125.48 2x41 s LEU 662 Ca 0.66 0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 54.22 2x41 s LEU 662 Cb -0.15 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.55 2x41 s LEU 662 CO 0.28 -0.04 1.06 0.20 0.23 0.00 0.00 176.35 178.08 2x41 s ASN 663 N 0.88 5.43 0.00 2.29 0.01 -1.26 -1.28 114.94 121.01 2x41 s ASN 663 Ca 0.20 1.62 -0.37 0.00 -0.71 0.00 0.00 52.86 53.60 2x41 s ASN 663 Cb -0.14 -2.50 -0.16 0.00 0.41 0.00 0.00 41.25 38.86 2x41 s ASN 663 CO 0.08 -1.41 1.51 -2.65 -1.51 0.00 0.00 177.10 173.12 2x41 n PRO 664 N -3.07 1.39 0.00 -0.60 -0.02 -1.26 -1.04 135.00 130.40 2x41 n PRO 664 Ca 0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2x41 n PRO 664 Cb 0.53 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2x41 n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x41 n GLY 665 N 3.19 2.79 3.78 -1.23 0.00 0.66 -5.02 105.19 109.36 2x41 n GLY 665 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2x41 n GLY 665 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x41 s GLU 666 N -0.68 4.38 0.32 1.61 2.02 -0.21 -4.75 118.70 121.39 2x41 s GLU 666 Ca 0.00 1.41 0.04 0.00 0.02 0.00 0.00 54.97 56.44 2x41 s GLU 666 Cb 0.00 -2.65 -0.06 0.00 0.10 0.00 0.00 34.13 31.52 2x41 s GLU 666 CO 0.00 0.07 0.04 -1.54 0.02 0.00 0.00 175.26 173.86 2x41 s SER 667 N -1.62 2.45 -0.08 -0.19 1.04 -1.26 -0.50 113.70 113.55 2x41 s SER 667 Ca 0.54 -1.36 -0.06 0.00 0.48 0.00 0.00 55.95 55.55 2x41 s SER 667 Cb -0.20 -0.10 0.03 0.00 0.10 0.00 0.00 66.02 65.85 2x41 s SER 667 CO 0.25 -0.58 0.20 -0.70 0.98 0.00 0.00 173.24 173.39 2x41 s GLU 668 N -3.87 0.21 -0.20 4.02 2.12 -0.19 -4.98 118.70 115.82 2x41 s GLU 668 Ca 0.36 0.32 -0.20 0.00 0.36 0.00 0.00 54.97 55.81 2x41 s GLU 668 Cb 0.08 0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.49 2x41 s GLU 668 CO 0.15 -0.06 0.58 -2.00 -0.54 0.00 0.00 175.26 173.39 2x41 s GLU 669 N 0.39 4.20 -0.18 4.30 2.12 -1.26 -1.88 118.70 126.39 2x41 s GLU 669 Ca -0.02 0.52 -0.10 0.00 0.36 0.00 0.00 54.97 55.73 2x41 s GLU 669 Cb -0.04 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 2x41 s GLU 669 CO -0.02 -0.19 0.14 0.08 -0.54 0.00 0.00 175.26 174.74 2x41 s VAL 670 N 1.76 5.42 -0.18 3.70 1.01 0.78 -4.98 120.40 127.91 2x41 s VAL 670 Ca 0.27 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 2x41 s VAL 670 Cb -0.16 -3.47 0.05 0.00 0.00 0.00 0.00 36.38 32.81 2x41 s VAL 670 CO 0.10 0.47 -0.02 -0.69 0.00 0.00 0.00 175.10 174.96 2x41 s VAL 671 N 0.10 0.96 -0.05 2.92 1.01 -1.26 -1.89 120.40 122.17 2x41 s VAL 671 Ca 0.10 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2x41 s VAL 671 Cb -0.11 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 2x41 s VAL 671 CO -0.00 0.00 -0.22 -0.76 0.00 0.00 0.00 175.10 174.11 2x41 s LEU 672 N 1.68 2.01 -0.07 3.92 1.43 -0.12 -5.00 118.68 122.54 2x41 s LEU 672 Ca -0.01 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 2x41 s LEU 672 Cb -0.16 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.82 2x41 s LEU 672 CO -0.07 0.21 -0.19 -1.61 0.23 0.00 0.00 176.35 174.92 2x41 s GLU 673 N -0.09 2.74 -0.17 1.70 2.02 -1.26 -0.59 118.70 123.06 2x41 s GLU 673 Ca -0.04 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.17 2x41 s GLU 673 Cb -0.13 -2.34 0.04 0.00 0.10 0.00 0.00 34.13 31.79 2x41 s GLU 673 CO 0.03 0.41 -0.09 0.42 0.02 0.00 0.00 175.26 176.05 2x41 s ILE 674 N -0.21 1.41 0.39 -1.63 1.01 0.70 -4.96 121.20 117.91 2x41 s ILE 674 Ca -0.01 -0.75 -0.27 0.00 0.00 0.00 0.00 60.65 59.61 2x41 s ILE 674 Cb -0.13 -1.48 -0.10 0.00 0.01 0.00 0.00 42.46 40.76 2x41 s ILE 674 CO 0.03 0.23 1.39 -2.16 0.00 0.00 0.00 174.94 174.43 2x41 s PRO 675 N 1.52 4.05 0.40 2.79 0.04 -1.26 0.03 135.00 142.56 2x41 s PRO 675 Ca 0.01 2.36 0.13 0.00 0.04 0.00 0.00 61.00 63.54 2x41 s PRO 675 Cb -0.15 -2.88 0.96 0.00 0.04 0.00 0.00 34.50 32.47 2x41 s PRO 675 CO -0.09 -0.50 1.89 -0.24 0.04 0.00 0.00 177.00 178.11 2x41 h VAL 676 N 2.73 0.80 -0.87 -0.36 3.04 -1.54 -0.72 116.25 119.34 2x41 h VAL 676 Ca -0.50 -0.18 0.13 0.00 -1.01 0.00 0.00 66.70 65.14 2x41 h VAL 676 Cb 1.24 0.23 -0.07 0.00 -2.01 0.00 0.00 31.29 30.68 2x41 h VAL 676 CO 0.63 0.10 0.56 -0.09 -1.01 0.00 0.00 177.57 177.76 2x41 h ARG 677 N 0.52 0.67 0.00 4.17 2.43 -1.90 -0.48 114.38 119.78 2x41 h ARG 677 Ca 0.41 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 2x41 h ARG 677 Cb 0.84 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2x41 h ARG 677 CO -0.16 0.44 0.00 -0.25 -1.51 0.00 0.00 179.97 178.49 2x41 n ASP 678 N -4.55 0.21 0.01 -3.80 10.43 -0.27 -1.93 116.55 116.65 2x41 n ASP 678 Ca 0.16 0.57 0.13 0.00 2.57 0.00 0.00 54.79 58.22 2x41 n ASP 678 Cb 0.44 -0.60 0.47 0.00 1.84 0.00 0.00 41.12 43.26 2x41 n ASP 678 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2x41 n LEU 679 N -1.75 0.23 -4.77 0.64 4.77 -0.19 -4.95 117.00 110.99 2x41 n LEU 679 Ca 0.02 0.32 -0.33 0.00 -0.03 0.00 0.00 56.01 55.99 2x41 n LEU 679 Cb 0.13 -0.39 0.05 0.00 -2.33 0.00 0.00 43.42 40.87 2x41 n LEU 679 CO 0.12 0.03 0.75 0.00 -1.33 0.00 0.00 177.39 176.96 2x41 s ALA 680 N -3.01 2.47 0.20 -1.18 0.00 -0.81 -4.81 121.76 114.61 2x41 s ALA 680 Ca 0.13 0.61 0.09 0.00 0.00 0.00 0.00 51.96 52.78 2x41 s ALA 680 Cb 0.18 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 2x41 s ALA 680 CO 0.60 -1.26 -0.08 -1.12 0.00 0.00 0.00 175.76 173.90 2x41 s SER 681 N -2.44 4.30 -0.29 0.00 0.01 -0.46 -4.86 113.70 109.97 2x41 s SER 681 Ca 0.68 -0.60 -0.10 0.00 1.31 0.00 0.00 55.95 57.25 2x41 s SER 681 Cb -0.22 -0.74 -0.03 0.00 0.21 0.00 0.00 66.02 65.24 2x41 s SER 681 CO 0.40 0.08 0.16 0.12 0.41 0.00 0.00 173.24 174.41 2x41 s PHE 682 N -1.84 3.18 -1.84 2.43 2.19 -1.26 -0.10 117.98 120.74 2x41 s PHE 682 Ca 0.26 -0.23 0.11 0.00 0.33 0.00 0.00 56.93 57.40 2x41 s PHE 682 Cb -0.08 -2.35 0.33 0.00 -1.31 0.00 0.00 43.02 39.61 2x41 s PHE 682 CO 0.16 -0.31 1.25 0.27 1.83 0.00 0.00 175.22 178.42 2x41 n ASN 683 N 5.01 2.12 0.00 6.13 0.23 -0.66 -4.82 115.26 123.28 2x41 n ASN 683 Ca -0.14 -2.05 0.00 0.00 -0.53 0.00 0.00 54.58 51.85 2x41 n ASN 683 Cb 0.51 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 2x41 n ASN 683 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x41 n GLY 684 N 0.99 2.66 0.65 4.83 0.00 -1.26 -4.79 105.19 108.27 2x41 n GLY 684 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2x41 n GLY 684 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2x41 n GLU 685 N -0.68 0.00 -4.09 1.61 -0.58 -1.26 -4.94 120.64 110.70 2x41 n GLU 685 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 2x41 n GLU 685 Cb 0.00 -0.67 -0.11 0.00 -0.57 0.00 0.00 31.44 30.10 2x41 n GLU 685 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2x41 s GLU 686 N -1.98 0.60 0.07 3.49 2.02 -1.26 -4.57 118.70 117.08 2x41 s GLU 686 Ca 0.00 -0.95 -0.30 0.00 0.02 0.00 0.00 54.97 53.74 2x41 s GLU 686 Cb 0.00 -0.19 -0.05 0.00 0.10 0.00 0.00 34.13 33.99 2x41 s GLU 686 CO 0.00 0.01 1.13 -1.58 0.02 0.00 0.00 175.26 174.84 2x41 s TRP 687 N -2.25 3.52 -0.08 1.61 0.52 -0.38 -1.65 118.94 120.24 2x41 s TRP 687 Ca -0.03 1.46 0.01 0.00 0.02 0.00 0.00 56.10 57.55 2x41 s TRP 687 Cb -0.04 -3.32 0.02 0.00 -1.15 0.00 0.00 33.47 28.98 2x41 s TRP 687 CO -0.02 -0.84 -0.07 0.08 0.02 0.00 0.00 176.95 176.12 2x41 s VAL 688 N 0.77 0.84 -0.47 4.03 1.01 0.86 -0.57 120.40 126.86 2x41 s VAL 688 Ca 0.55 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 2x41 s VAL 688 Cb -0.28 -0.84 0.06 0.00 0.00 0.00 0.00 36.38 35.32 2x41 s VAL 688 CO 0.30 0.31 0.43 -0.69 0.00 0.00 0.00 175.10 175.45 2x41 s VAL 689 N 1.25 5.17 0.39 2.92 1.01 0.41 -1.36 120.40 130.19 2x41 s VAL 689 Ca -0.05 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 60.79 2x41 s VAL 689 Cb -0.14 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 2x41 s VAL 689 CO -0.02 -0.58 1.08 -1.61 0.00 0.00 0.00 175.10 173.96 2x41 s GLU 690 N 1.83 4.17 0.76 2.72 2.02 -1.26 -1.59 118.70 127.36 2x41 s GLU 690 Ca 0.06 1.60 -0.11 0.00 0.02 0.00 0.00 54.97 56.54 2x41 s GLU 690 Cb -0.23 -2.61 0.05 0.00 0.10 0.00 0.00 34.13 31.45 2x41 s GLU 690 CO 0.08 -0.16 1.10 0.00 0.02 0.00 0.00 175.26 176.30 2x41 s ALA 691 N -1.57 2.23 0.00 5.21 0.00 -1.26 -4.80 121.76 121.57 2x41 s ALA 691 Ca 0.57 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2x41 s ALA 691 Cb -0.25 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2x41 s ALA 691 CO 0.31 -1.77 0.00 0.41 0.00 0.00 0.00 175.76 174.71 2x41 n GLY 692 N -0.94 0.71 3.67 0.00 0.00 -0.44 -4.93 105.19 103.26 2x41 n GLY 692 Ca 0.10 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 2x41 n GLY 692 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x41 s GLU 693 N -0.99 4.18 0.01 1.61 2.12 -1.26 -1.25 118.70 123.13 2x41 s GLU 693 Ca 0.00 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.54 2x41 s GLU 693 Cb 0.00 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 2x41 s GLU 693 CO 0.00 -0.03 0.09 0.71 -0.54 0.00 0.00 175.26 175.49 2x41 s TYR 694 N 1.27 3.28 -0.17 5.30 1.51 0.10 -3.86 117.35 124.78 2x41 s TYR 694 Ca 0.19 0.18 -0.06 0.00 -1.01 0.00 0.00 57.07 56.38 2x41 s TYR 694 Cb -0.15 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 2x41 s TYR 694 CO 0.08 0.55 0.03 -2.00 -1.11 0.00 0.00 175.55 173.10 2x41 s GLU 695 N -1.89 3.84 -0.22 -0.62 2.12 -0.63 -1.84 118.70 119.46 2x41 s GLU 695 Ca 0.25 -0.39 -0.14 0.00 0.36 0.00 0.00 54.97 55.04 2x41 s GLU 695 Cb -0.12 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 2x41 s GLU 695 CO 0.16 0.30 0.32 0.08 -0.54 0.00 0.00 175.26 175.58 2x41 s VAL 696 N 0.27 5.24 -0.26 3.70 1.01 0.15 -1.16 120.40 129.35 2x41 s VAL 696 Ca 0.02 0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.55 2x41 s VAL 696 Cb -0.13 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.66 2x41 s VAL 696 CO 0.01 0.27 -0.07 -0.13 0.00 0.00 0.00 175.10 175.18 2x41 s ARG 697 N 1.33 1.92 -0.33 2.72 0.52 0.29 -1.37 118.95 124.02 2x41 s ARG 697 Ca 0.15 -1.27 -0.14 0.00 -0.52 0.00 0.00 55.73 53.95 2x41 s ARG 697 Cb -0.14 -2.79 -0.02 0.00 0.52 0.00 0.00 34.95 32.51 2x41 s ARG 697 CO 0.07 -0.62 0.33 0.08 0.02 0.00 0.00 175.30 175.18 2x41 s VAL 698 N 1.20 5.20 0.24 3.52 1.01 0.64 -0.31 120.40 131.90 2x41 s VAL 698 Ca -0.06 0.09 0.11 0.00 0.00 0.00 0.00 61.98 62.12 2x41 s VAL 698 Cb -0.19 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2x41 s VAL 698 CO -0.06 -0.02 -0.19 -0.83 0.00 0.00 0.00 175.10 174.00 2x41 s GLY 699 N 1.72 1.72 0.00 4.51 0.00 0.57 0.96 107.32 116.81 2x41 s GLY 699 Ca 0.11 -1.77 0.25 0.00 0.00 0.00 0.00 44.72 43.31 2x41 s GLY 699 CO 0.11 -1.85 1.43 0.00 0.00 0.00 0.00 173.10 172.79 2x41 n ALA 700 N -0.40 3.35 -3.85 3.20 0.00 0.06 -1.37 120.51 121.50 2x41 n ALA 700 Ca -0.07 -0.43 -0.05 0.00 0.00 0.00 0.00 53.44 52.89 2x41 n ALA 700 Cb 0.59 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 18.99 2x41 n ALA 700 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2x41 s SER 701 N -2.64 -0.01 0.41 0.00 1.04 -1.24 -4.54 113.70 106.71 2x41 s SER 701 Ca 0.20 -0.79 0.29 0.00 0.48 0.00 0.00 55.95 56.13 2x41 s SER 701 Cb 0.18 0.60 1.33 0.00 0.10 0.00 0.00 66.02 68.24 2x41 s SER 701 CO 0.59 -1.19 1.87 0.77 0.98 0.00 0.00 173.24 176.26 2x41 h SER 702 N 2.00 0.00 0.00 7.02 4.64 -1.62 -2.93 113.55 122.66 2x41 h SER 702 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2x41 h SER 702 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2x41 h SER 702 CO 0.36 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.86 2x41 n ARG 703 N -2.59 1.32 -3.57 4.77 1.74 -1.26 -4.79 116.66 112.28 2x41 n ARG 703 Ca 0.00 -1.03 -0.27 0.00 -0.77 0.00 0.00 57.85 55.78 2x41 n ARG 703 Cb 0.19 -0.95 -0.09 0.00 -1.02 0.00 0.00 32.46 30.59 2x41 n ARG 703 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2x41 n ASN 704 N -0.28 3.28 -4.67 0.55 2.85 -1.11 -5.07 115.26 110.82 2x41 n ASN 704 Ca 0.00 -3.32 -0.43 0.00 -0.11 0.00 0.00 54.58 50.73 2x41 n ASN 704 Cb 0.18 -0.70 -0.02 0.00 1.24 0.00 0.00 39.78 40.48 2x41 n ASN 704 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2x41 s ILE 705 N -2.04 4.68 -0.13 -1.44 -1.09 -1.26 -0.76 121.20 119.15 2x41 s ILE 705 Ca 0.35 1.99 0.09 0.00 -2.23 0.00 0.00 60.65 60.85 2x41 s ILE 705 Cb 0.08 -4.28 -0.23 0.00 -1.58 0.00 0.00 42.46 36.45 2x41 s ILE 705 CO -0.07 -0.11 0.30 0.29 -1.23 0.00 0.00 174.94 174.12 2x41 n LYS 706 N 5.85 0.68 -4.00 2.79 4.76 0.27 -4.94 118.16 123.57 2x41 n LYS 706 Ca 0.11 0.18 -0.14 0.00 -2.87 0.00 0.00 58.31 55.60 2x41 n LYS 706 Cb 0.47 -1.66 -0.14 0.00 -1.84 0.00 0.00 35.03 31.86 2x41 n LYS 706 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x41 s LEU 707 N -6.16 2.02 -0.01 -0.35 1.43 -0.69 -4.97 118.68 109.94 2x41 s LEU 707 Ca -0.14 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2x41 s LEU 707 Cb 0.07 -0.11 -0.01 0.00 0.03 0.00 0.00 46.19 46.17 2x41 s LEU 707 CO 0.78 0.01 -0.11 -0.54 0.23 0.00 0.00 176.35 176.73 2x41 s LYS 708 N -0.14 0.91 0.30 1.70 1.02 -1.26 -0.26 119.74 122.01 2x41 s LYS 708 Ca 0.00 -0.38 -0.08 0.00 0.02 0.00 0.00 55.97 55.53 2x41 s LYS 708 Cb -0.01 -0.87 0.00 0.00 -0.52 0.00 0.00 37.83 36.42 2x41 s LYS 708 CO -0.00 0.22 0.48 0.20 -0.92 0.00 0.00 175.35 175.33 2x41 s GLY 709 N -0.19 0.98 0.13 -3.33 0.00 -0.47 -4.99 107.32 99.45 2x41 s GLY 709 Ca 0.03 -1.19 0.04 0.00 0.00 0.00 0.00 44.72 43.60 2x41 s GLY 709 CO -0.00 -0.81 -0.11 -0.51 0.00 0.00 0.00 173.10 171.68 2x41 s THR 710 N -3.47 1.10 0.23 0.90 -4.23 -1.26 0.33 115.64 109.25 2x41 s THR 710 Ca 0.26 -1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 58.86 2x41 s THR 710 Cb -0.00 -1.65 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 2x41 s THR 710 CO 0.14 -0.65 0.24 0.72 -0.54 0.00 0.00 174.62 174.53 2x41 s PHE 711 N -2.91 1.03 -0.02 3.99 -0.71 -0.76 -4.93 117.98 113.67 2x41 s PHE 711 Ca 0.12 -1.26 0.05 0.00 -1.04 0.00 0.00 56.93 54.80 2x41 s PHE 711 Cb -0.00 -0.38 -0.01 0.00 -1.21 0.00 0.00 43.02 41.42 2x41 s PHE 711 CO 0.01 -0.77 -0.16 0.45 -1.34 0.00 0.00 175.22 173.41 2x41 s SER 712 N -3.15 1.91 -0.33 1.98 0.15 -1.26 -0.72 113.70 112.27 2x41 s SER 712 Ca 0.35 -0.30 -0.13 0.00 0.70 0.00 0.00 55.95 56.57 2x41 s SER 712 Cb 0.04 -0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.06 2x41 s SER 712 CO 0.13 0.19 0.25 -0.69 1.20 0.00 0.00 173.24 174.32 2x41 s VAL 713 N -0.29 5.28 0.11 4.45 1.01 -0.38 -4.96 120.40 125.61 2x41 s VAL 713 Ca 0.04 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.94 2x41 s VAL 713 Cb -0.07 -3.71 -0.22 0.00 0.00 0.00 0.00 36.38 32.38 2x41 s VAL 713 CO -0.00 0.01 1.24 1.23 0.00 0.00 0.00 175.10 177.57 2x41 h GLY 714 N 8.50 0.03 -6.24 4.51 0.00 -1.93 -1.17 103.07 106.77 2x41 h GLY 714 Ca -0.32 -0.07 -0.54 0.00 0.00 0.00 0.00 47.33 46.40 2x41 h GLY 714 CO 0.63 0.06 -0.81 1.85 0.00 0.00 0.00 176.54 178.27 2x41 s GLU 715 N -2.70 1.76 0.29 4.80 2.56 -1.26 -4.88 118.70 119.26 2x41 s GLU 715 Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 54.97 54.29 2x41 s GLU 715 Cb 0.10 -1.61 -0.12 0.00 2.00 0.00 0.00 34.13 34.50 2x41 s GLU 715 CO 0.83 -0.13 1.55 -1.91 -0.56 0.00 0.00 175.26 175.03 2x41 n GLU 716 N 4.41 2.55 -5.04 4.30 2.13 -1.26 -4.71 120.64 123.01 2x41 n GLU 716 Ca -0.18 0.91 -0.32 0.00 0.66 0.00 0.00 57.16 58.23 2x41 n GLU 716 Cb 0.51 -2.66 -0.15 0.00 0.27 0.00 0.00 31.44 29.41 2x41 n GLU 716 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2x41 s ARG 717 N -0.58 2.74 0.02 5.31 0.52 -0.62 -4.99 118.95 121.35 2x41 s ARG 717 Ca 0.64 -0.79 0.08 0.00 -0.52 0.00 0.00 55.73 55.14 2x41 s ARG 717 Cb -0.53 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 32.58 2x41 s ARG 717 CO 0.50 0.41 -0.23 1.03 0.02 0.00 0.00 175.30 177.03 2x41 s ARG 718 N -0.20 1.65 -0.13 3.54 0.52 -1.26 -0.44 118.95 122.62 2x41 s ARG 718 Ca -0.01 -0.94 -0.02 0.00 -0.52 0.00 0.00 55.73 54.24 2x41 s ARG 718 Cb -0.13 -1.72 0.04 0.00 0.52 0.00 0.00 34.95 33.66 2x41 s ARG 718 CO 0.03 0.45 0.02 -0.06 0.02 0.00 0.00 175.30 175.77 2x41 s PHE 719 N -0.70 0.75 -0.04 -0.53 0.08 0.27 -5.01 117.98 112.80 2x41 s PHE 719 Ca 0.09 -0.45 -0.26 0.00 0.12 0.00 0.00 56.93 56.44 2x41 s PHE 719 Cb -0.09 -0.87 -0.03 0.00 -0.57 0.00 0.00 43.02 41.45 2x41 s PHE 719 CO 0.01 -0.46 0.80 0.21 -0.10 0.00 0.00 175.22 175.69 2x41 s LYS 720 N 1.95 4.48 0.00 0.44 2.47 -1.26 -1.25 119.74 126.57 2x41 s LYS 720 Ca 0.02 1.08 0.00 0.00 -1.56 0.00 0.00 55.97 55.51 2x41 s LYS 720 Cb -0.15 -3.45 0.00 0.00 -1.46 0.00 0.00 37.83 32.77 2x41 s LYS 720 CO -0.07 0.03 0.31 -2.30 0.16 0.00 0.00 175.35 173.48