#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hje s LYS 2 N 0.00 4.30 -0.30 0.03 -2.85 -1.26 -4.89 119.74 114.76 3hje s LYS 2 Ca 0.00 2.18 -0.23 0.00 -1.00 0.00 0.00 55.97 56.92 3hje s LYS 2 Cb 0.00 -3.19 0.00 0.00 -2.06 0.00 0.00 37.83 32.58 3hje s LYS 2 CO 0.00 -0.44 0.79 -1.17 0.10 0.00 0.00 175.35 174.63 3hje s LEU 3 N 0.60 4.09 0.00 2.77 2.96 -1.26 -4.84 118.68 123.00 3hje s LEU 3 Ca 0.63 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 55.22 3hje s LEU 3 Cb -0.39 -3.08 0.00 0.00 0.50 0.00 0.00 46.19 43.22 3hje s LEU 3 CO 0.34 -0.61 0.00 0.18 -1.32 0.00 0.00 176.35 174.94 3hje n LEU 4 N 6.20 0.04 -3.59 -0.68 4.77 -1.26 -4.98 117.00 117.50 3hje n LEU 4 Ca 0.04 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.85 3hje n LEU 4 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 3hje n LEU 4 CO 0.50 0.01 0.34 -0.94 -1.33 0.00 0.00 177.39 175.97 3hje s SER 5 N -2.21 -0.58 0.05 -1.43 1.04 -1.26 -2.14 113.70 107.18 3hje s SER 5 Ca 0.00 0.71 0.08 0.00 0.48 0.00 0.00 55.95 57.21 3hje s SER 5 Cb 0.00 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 3hje s SER 5 CO 0.00 -0.51 -0.21 0.42 0.98 0.00 0.00 173.24 173.91 3hje s THR 6 N -0.94 1.74 -0.28 2.02 -4.23 0.09 -1.16 115.64 112.87 3hje s THR 6 Ca -0.09 -1.28 0.03 0.00 -1.18 0.00 0.00 61.69 59.17 3hje s THR 6 Cb -0.02 -1.52 0.07 0.00 1.34 0.00 0.00 72.50 72.38 3hje s THR 6 CO 0.07 0.19 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.81 3hje s TYR 7 N -0.85 3.33 -0.09 3.99 5.04 -0.22 -0.56 117.35 127.99 3hje s TYR 7 Ca 0.08 -2.47 -0.30 0.00 -2.44 0.00 0.00 57.07 51.95 3hje s TYR 7 Cb -0.09 -2.17 -0.03 0.00 0.35 0.00 0.00 41.96 40.02 3hje s TYR 7 CO 0.02 -0.89 1.29 0.50 -1.34 0.00 0.00 175.55 175.13 3hje s ARG 8 N 1.07 4.28 -0.14 4.97 6.06 0.47 -0.66 118.95 135.00 3hje s ARG 8 Ca -0.03 1.76 -0.02 0.00 -2.50 0.00 0.00 55.73 54.94 3hje s ARG 8 Cb -0.20 -3.67 -0.02 0.00 0.06 0.00 0.00 34.95 31.13 3hje s ARG 8 CO -0.06 -0.60 -0.09 -0.51 -2.50 0.00 0.00 175.30 171.55 3hje s LEU 9 N 2.85 2.97 1.02 -0.88 1.43 -0.36 -1.54 118.68 124.17 3hje s LEU 9 Ca 0.58 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.33 3hje s LEU 9 Cb -0.25 -1.69 0.20 0.00 0.03 0.00 0.00 46.19 44.47 3hje s LEU 9 CO 0.21 0.17 1.08 -1.10 0.23 0.00 0.00 176.35 176.94 3hje s GLN 10 N 0.32 0.27 0.14 1.70 -1.52 -1.26 -2.50 119.66 116.82 3hje s GLN 10 Ca -0.07 0.66 -0.34 0.00 -1.95 0.00 0.00 55.36 53.65 3hje s GLN 10 Cb -0.15 -1.71 -0.15 0.00 -0.22 0.00 0.00 33.01 30.78 3hje s GLN 10 CO 0.04 -2.87 1.36 -2.30 -0.25 0.00 0.00 175.29 171.26 3hje n PRO 11 N -4.30 1.48 -3.74 2.91 -0.02 -1.26 -4.75 135.00 125.32 3hje n PRO 11 Ca 0.05 0.53 -0.12 0.00 -2.02 0.00 0.00 63.50 61.94 3hje n PRO 11 Cb 0.56 -2.17 -0.11 0.00 -0.02 0.00 0.00 33.50 31.76 3hje n PRO 11 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3hje s MET 12 N 0.25 0.37 0.18 -0.52 1.75 -1.26 -5.08 119.30 114.98 3hje s MET 12 Ca 0.78 0.54 -0.33 0.00 -1.25 0.00 0.00 55.69 55.44 3hje s MET 12 Cb -0.83 0.10 -0.15 0.00 2.84 0.00 0.00 34.83 36.79 3hje s MET 12 CO 0.47 -0.09 1.20 1.63 -0.65 0.00 0.00 175.02 177.58 3hje n LYS 13 N 3.37 1.26 -0.37 4.11 5.02 -1.26 -4.78 118.16 125.51 3hje n LYS 13 Ca -0.17 0.45 0.04 0.00 -2.02 0.00 0.00 58.31 56.61 3hje n LYS 13 Cb 0.56 -1.97 0.20 0.00 -0.02 0.00 0.00 35.03 33.80 3hje n LYS 13 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 3hje h PHE 14 N 3.51 1.19 -0.26 2.13 0.04 -1.31 -0.63 116.94 121.60 3hje h PHE 14 Ca -0.44 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.33 3hje h PHE 14 Cb 1.33 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 3hje h PHE 14 CO 0.55 0.57 -0.00 0.66 -0.60 0.00 0.00 178.31 179.48 3hje h SER 15 N 1.12 0.36 -0.11 2.17 4.64 -1.86 -0.31 113.55 119.56 3hje h SER 15 Ca 0.46 -0.06 -0.22 0.00 -0.47 0.00 0.00 61.79 61.50 3hje h SER 15 Cb 0.28 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3hje h SER 15 CO -0.20 0.43 -0.79 -0.33 -0.87 0.00 0.00 176.83 175.06 3hje h GLU 16 N 0.38 0.76 -0.13 4.77 5.08 -1.49 -1.86 114.58 122.10 3hje h GLU 16 Ca 0.09 -0.63 0.02 0.00 -1.00 0.00 0.00 59.36 57.83 3hje h GLU 16 Cb 0.26 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3hje h GLU 16 CO 0.01 1.24 0.01 0.82 -1.00 0.00 0.00 179.01 180.09 3hje h ILE 17 N 0.52 0.92 -0.94 3.13 2.04 -1.07 -2.94 117.51 119.18 3hje h ILE 17 Ca -0.06 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.87 3hje h ILE 17 Cb 1.42 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 38.29 3hje h ILE 17 CO 0.16 0.01 0.61 -0.09 0.00 0.00 0.00 178.15 178.84 3hje h ARG 18 N 0.06 0.99 -0.00 2.37 2.43 -0.97 -1.03 114.38 118.23 3hje h ARG 18 Ca 0.06 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hje h ARG 18 Cb 0.06 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3hje h ARG 18 CO -0.09 0.65 -0.00 0.09 -1.51 0.00 0.00 179.97 179.11 3hje n ASN 19 N -4.52 0.02 -0.62 -3.80 4.13 -0.71 -2.74 115.26 107.03 3hje n ASN 19 Ca 0.15 -0.84 0.06 0.00 1.68 0.00 0.00 54.58 55.64 3hje n ASN 19 Cb 0.25 -0.06 0.12 0.00 -1.54 0.00 0.00 39.78 38.55 3hje n ASN 19 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 3hje n ARG 20 N -1.04 1.91 -0.35 3.52 3.00 -0.40 -4.74 116.66 118.56 3hje n ARG 20 Ca 0.22 -1.73 -0.00 0.00 -0.00 0.00 0.00 57.85 56.34 3hje n ARG 20 Cb 0.14 -1.27 0.13 0.00 0.00 0.00 0.00 32.46 31.46 3hje n ARG 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3hje h LEU 21 N 2.34 1.02 -0.99 6.15 3.38 -1.38 -1.87 115.31 123.95 3hje h LEU 21 Ca 0.00 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3hje h LEU 21 Cb 0.65 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 3hje h LEU 21 CO 0.00 0.69 0.64 0.44 0.09 0.00 0.00 178.44 180.30 3hje h ASP 22 N 1.18 1.04 -0.06 -0.43 3.32 -1.85 -1.32 116.42 118.30 3hje h ASP 22 Ca 0.38 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.46 3hje h ASP 22 Cb 0.02 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3hje h ASP 22 CO -0.13 0.69 -0.11 0.22 -1.72 0.00 0.00 179.24 178.19 3hje h TYR 23 N 1.20 -0.28 -0.77 4.55 3.20 -1.69 -0.82 116.97 122.35 3hje h TYR 23 Ca 0.41 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.28 3hje h TYR 23 Cb 0.09 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 3hje h TYR 23 CO -0.00 -0.17 0.43 0.74 -1.64 0.00 0.00 178.16 177.51 3hje h PHE 24 N -0.16 1.05 0.06 -3.82 0.04 -1.27 0.07 116.94 112.91 3hje h PHE 24 Ca 0.06 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.83 3hje h PHE 24 Cb 0.25 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 3hje h PHE 24 CO -0.20 0.73 -0.16 0.28 -0.60 0.00 0.00 178.31 178.36 3hje h VAL 25 N 1.06 0.63 -0.65 -0.55 2.07 -1.03 -2.25 116.25 115.54 3hje h VAL 25 Ca 0.27 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.85 3hje h VAL 25 Cb 0.02 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 3hje h VAL 25 CO -0.04 0.00 0.35 -0.08 0.02 0.00 0.00 177.57 177.81 3hje h GLU 26 N -0.29 0.63 0.00 1.57 4.81 -0.75 -1.83 114.58 118.71 3hje h GLU 26 Ca 0.03 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3hje h GLU 26 Cb 0.32 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 3hje h GLU 26 CO -0.11 0.41 -0.02 1.25 -0.73 0.00 0.00 179.01 179.81 3hje h LEU 27 N 0.64 0.00 0.00 1.64 5.85 -0.77 -3.47 115.31 119.21 3hje h LEU 27 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3hje h LEU 27 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3hje h LEU 27 CO -0.19 0.02 0.00 0.61 -0.34 0.00 0.00 178.44 178.54 3hje n GLY 28 N -1.46 0.79 3.78 3.75 0.00 -0.69 -4.09 105.19 107.26 3hje n GLY 28 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3hje n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hje s VAL 29 N -2.00 3.23 -0.14 1.61 -7.23 -1.17 -4.52 120.40 110.18 3hje s VAL 29 Ca 0.00 0.76 0.17 0.00 -1.81 0.00 0.00 61.98 61.10 3hje s VAL 29 Cb 0.00 -3.30 -0.24 0.00 0.56 0.00 0.00 36.38 33.40 3hje s VAL 29 CO 0.00 -0.17 0.35 0.35 -0.31 0.00 0.00 175.10 175.32 3hje n THR 30 N -1.29 1.21 -4.12 5.32 -2.24 -1.06 -4.67 114.28 107.42 3hje n THR 30 Ca 0.11 -0.77 -0.15 0.00 -2.27 0.00 0.00 64.05 60.97 3hje n THR 30 Cb 0.51 -0.54 -0.13 0.00 -2.10 0.00 0.00 70.33 68.06 3hje n THR 30 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3hje s HIS 31 N -2.72 0.51 -0.14 4.78 3.76 -0.31 -0.91 115.29 120.25 3hje s HIS 31 Ca -0.08 -0.21 -0.16 0.00 -0.15 0.00 0.00 55.06 54.47 3hje s HIS 31 Cb 0.08 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.40 3hje s HIS 31 CO 0.84 -0.03 0.37 -0.51 -0.85 0.00 0.00 174.74 174.55 3hje s LEU 32 N -0.55 4.26 -0.51 0.89 1.43 -0.37 -1.06 118.68 122.77 3hje s LEU 32 Ca -0.02 0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 53.60 3hje s LEU 32 Cb -0.04 -2.50 0.13 0.00 0.03 0.00 0.00 46.19 43.80 3hje s LEU 32 CO -0.00 0.06 0.41 -0.47 0.23 0.00 0.00 176.35 176.58 3hje s TYR 33 N 0.53 3.39 0.11 0.29 5.04 0.16 -0.51 117.35 126.37 3hje s TYR 33 Ca 0.20 -1.73 -0.14 0.00 -2.44 0.00 0.00 57.07 52.96 3hje s TYR 33 Cb -0.14 -3.60 -0.07 0.00 0.35 0.00 0.00 41.96 38.51 3hje s TYR 33 CO 0.06 -1.00 0.52 -0.51 -1.34 0.00 0.00 175.55 173.28 3hje s LEU 34 N 1.34 4.37 0.91 6.97 1.43 -0.35 -1.23 118.68 132.12 3hje s LEU 34 Ca 0.06 1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 54.10 3hje s LEU 34 Cb -0.26 -3.12 0.14 0.00 0.03 0.00 0.00 46.19 42.98 3hje s LEU 34 CO -0.00 0.15 1.12 -0.44 0.23 0.00 0.00 176.35 177.41 3hje s SER 35 N -1.59 3.10 0.34 2.29 0.01 -1.04 -1.86 113.70 114.95 3hje s SER 35 Ca 0.35 1.99 -0.28 0.00 1.31 0.00 0.00 55.95 59.32 3hje s SER 35 Cb -0.15 -2.50 -0.12 0.00 0.21 0.00 0.00 66.02 63.45 3hje s SER 35 CO 0.18 -2.96 1.21 -2.65 0.41 0.00 0.00 173.24 169.44 3hje n PRO 36 N -4.13 1.90 0.00 12.44 -0.02 -1.26 -4.60 135.00 139.34 3hje n PRO 36 Ca 0.10 0.67 0.02 0.00 -2.02 0.00 0.00 63.50 62.27 3hje n PRO 36 Cb 0.53 -2.21 0.01 0.00 -0.02 0.00 0.00 33.50 31.81 3hje n PRO 36 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3hje n VAL 37 N 0.23 0.00 -2.67 -1.45 0.24 -1.26 -4.70 118.33 108.72 3hje n VAL 37 Ca 0.06 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.54 3hje n VAL 37 Cb 0.36 1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 3hje n VAL 37 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3hje s LEU 38 N -0.39 3.83 -0.02 1.34 1.43 -1.26 -0.20 118.68 123.40 3hje s LEU 38 Ca 0.04 1.67 -0.36 0.00 -1.03 0.00 0.00 54.13 54.44 3hje s LEU 38 Cb 0.03 -4.53 -0.15 0.00 0.03 0.00 0.00 46.19 41.57 3hje s LEU 38 CO 0.05 -0.46 1.61 1.17 0.23 0.00 0.00 176.35 178.95 3hje n LYS 39 N -0.96 1.60 -4.29 1.70 4.81 0.24 -4.48 118.16 116.77 3hje n LYS 39 Ca 0.07 0.58 -0.28 0.00 -0.87 0.00 0.00 58.31 57.81 3hje n LYS 39 Cb 0.54 -2.31 -0.05 0.00 0.02 0.00 0.00 35.03 33.23 3hje n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hje n ALA 40 N 4.30 0.41 -1.70 3.14 0.00 -1.26 -0.56 120.51 124.83 3hje n ALA 40 Ca 0.21 -2.01 -0.39 0.00 0.00 0.00 0.00 53.44 51.25 3hje n ALA 40 Cb 0.22 1.08 0.04 0.00 0.00 0.00 0.00 19.45 20.79 3hje n ALA 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hje n ARG 41 N -1.16 1.50 -1.62 0.00 1.74 -0.80 -4.69 116.66 111.62 3hje n ARG 41 Ca -0.17 0.55 -0.50 0.00 -0.77 0.00 0.00 57.85 56.96 3hje n ARG 41 Cb 0.57 -2.43 -0.05 0.00 -1.02 0.00 0.00 32.46 29.52 3hje n ARG 41 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3hje n PRO 42 N -0.86 1.54 -1.95 5.56 -0.02 -1.26 -1.10 135.00 136.90 3hje n PRO 42 Ca 0.11 0.56 -0.20 0.00 -2.02 0.00 0.00 63.50 61.95 3hje n PRO 42 Cb 0.44 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 3hje n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hje n GLY 43 N 2.92 0.79 3.72 -1.23 0.00 -1.26 -4.96 105.19 105.16 3hje n GLY 43 Ca 0.18 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3hje n GLY 43 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hje n SER 44 N -1.47 3.29 -0.56 1.61 2.88 -0.26 -4.89 113.62 114.21 3hje n SER 44 Ca -0.22 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.63 3hje n SER 44 Cb 0.66 -1.53 0.29 0.00 -0.75 0.00 0.00 64.21 62.88 3hje n SER 44 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3hje n THR 45 N 1.36 0.00 0.00 2.46 -2.24 -1.26 -4.59 114.28 110.01 3hje n THR 45 Ca 0.07 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3hje n THR 45 Cb 0.35 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3hje n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hje n HIS 46 N 0.28 0.00 -0.99 4.78 1.44 -1.26 -4.47 115.22 115.00 3hje n HIS 46 Ca 0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.85 3hje n HIS 46 Cb 0.44 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.55 3hje n HIS 46 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3hje n GLY 47 N 0.88 0.69 0.13 -1.39 0.00 -1.26 -4.36 105.19 99.88 3hje n GLY 47 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3hje n GLY 47 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hje n TYR 48 N -2.53 0.00 -3.42 1.61 4.01 -1.26 -4.34 117.16 111.23 3hje n TYR 48 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 3hje n TYR 48 Cb 0.01 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 38.93 3hje n TYR 48 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3hje n ASP 49 N -0.75 4.59 -4.74 7.72 5.75 -1.26 -4.85 116.55 123.01 3hje n ASP 49 Ca 0.20 -3.31 -0.41 0.00 -0.01 0.00 0.00 54.79 51.26 3hje n ASP 49 Cb 0.21 -0.97 -0.03 0.00 -1.03 0.00 0.00 41.12 39.30 3hje n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hje s VAL 50 N -2.11 3.57 -0.02 2.12 1.01 -1.26 -1.91 120.40 121.81 3hje s VAL 50 Ca 0.32 1.34 0.10 0.00 0.00 0.00 0.00 61.98 63.74 3hje s VAL 50 Cb 0.03 -3.85 -0.16 0.00 0.00 0.00 0.00 36.38 32.40 3hje s VAL 50 CO -0.03 0.22 0.22 1.33 0.00 0.00 0.00 175.10 176.84 3hje n VAL 51 N 2.42 0.02 -3.42 2.92 0.24 0.27 -0.27 118.33 120.51 3hje n VAL 51 Ca 0.04 -0.24 -0.05 0.00 -2.04 0.00 0.00 64.34 62.05 3hje n VAL 51 Cb 0.45 0.24 -0.06 0.00 -1.47 0.00 0.00 33.84 32.99 3hje n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3hje s ASP 52 N -3.21 -0.44 0.20 -1.34 2.15 -1.13 -4.02 116.67 108.89 3hje s ASP 52 Ca -0.04 0.74 0.21 0.00 0.43 0.00 0.00 52.55 53.90 3hje s ASP 52 Cb 0.06 1.57 0.89 0.00 -0.30 0.00 0.00 42.92 45.15 3hje s ASP 52 CO 0.42 -0.26 1.64 -1.22 -0.17 0.00 0.00 175.17 175.58 3hje n TYR 53 N 5.40 0.62 1.13 -5.34 4.01 -1.26 -3.44 117.16 118.27 3hje n TYR 53 Ca -0.05 0.25 0.13 0.00 -0.16 0.00 0.00 57.90 58.06 3hje n TYR 53 Cb 0.50 -0.90 0.33 0.00 -0.31 0.00 0.00 39.34 38.96 3hje n TYR 53 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hje n ASN 54 N -2.07 0.71 -3.90 7.72 3.02 -1.26 -4.43 115.26 115.05 3hje n ASN 54 Ca 0.02 -0.52 -0.20 0.00 -0.03 0.00 0.00 54.58 53.85 3hje n ASN 54 Cb 0.20 0.16 -0.16 0.00 -0.61 0.00 0.00 39.78 39.37 3hje n ASN 54 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hje s THR 55 N -2.76 0.55 0.09 3.41 2.01 -1.22 -4.90 115.64 112.83 3hje s THR 55 Ca 0.18 -0.14 -0.31 0.00 0.31 0.00 0.00 61.69 61.73 3hje s THR 55 Cb 0.18 -0.57 -0.07 0.00 0.01 0.00 0.00 72.50 72.05 3hje s THR 55 CO 0.61 0.23 1.39 -0.63 -0.69 0.00 0.00 174.62 175.52 3hje s ILE 56 N 0.86 3.40 -0.42 1.82 -1.09 -1.26 -0.59 121.20 123.91 3hje s ILE 56 Ca -0.12 0.97 -0.42 0.00 -2.23 0.00 0.00 60.65 58.86 3hje s ILE 56 Cb -0.14 -3.62 -0.17 0.00 -1.58 0.00 0.00 42.46 36.94 3hje s ILE 56 CO 0.00 0.06 1.96 -3.20 -1.23 0.00 0.00 174.94 172.53 3hje n ASN 57 N 4.21 1.49 0.18 3.58 2.85 0.71 -4.36 115.26 123.92 3hje n ASN 57 Ca 0.12 0.81 0.04 0.00 -0.11 0.00 0.00 54.58 55.44 3hje n ASN 57 Cb 0.43 -1.02 0.32 0.00 1.24 0.00 0.00 39.78 40.74 3hje n ASN 57 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 3hje h ASP 58 N 8.53 0.00 0.11 1.20 3.32 -1.91 -1.50 116.42 126.17 3hje h ASP 58 Ca -0.28 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 3hje h ASP 58 Cb 1.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.91 3hje h ASP 58 CO 1.03 0.42 -0.09 -0.33 -1.72 0.00 0.00 179.24 178.54 3hje h GLU 59 N 0.00 0.00 -0.00 3.56 5.08 -1.99 -1.99 114.58 119.24 3hje h GLU 59 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hje h GLU 59 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3hje h GLU 59 CO 0.05 0.09 -0.33 1.28 -1.00 0.00 0.00 179.01 179.11 3hje n LEU 60 N -4.27 0.52 0.00 1.33 4.77 -1.12 -4.89 117.00 113.34 3hje n LEU 60 Ca -0.03 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hje n LEU 60 Cb 0.17 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3hje n LEU 60 CO 0.34 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3hje n GLY 61 N 1.44 1.49 1.28 -0.72 0.00 -0.75 -0.79 105.19 107.14 3hje n GLY 61 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3hje n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hje n GLY 62 N 0.00 -2.29 0.26 -0.02 0.00 -0.58 -4.10 105.19 98.46 3hje n GLY 62 Ca 0.00 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 3hje n GLY 62 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hje h GLU 63 N 0.00 0.86 -0.49 1.61 4.81 -1.84 -1.53 114.58 118.00 3hje h GLU 63 Ca 0.00 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 3hje h GLU 63 Cb 0.00 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3hje h GLU 63 CO 0.00 0.63 -0.03 0.93 -0.73 0.00 0.00 179.01 179.81 3hje h GLU 64 N 0.85 0.83 -0.30 1.92 4.39 -1.98 -0.54 114.58 119.75 3hje h GLU 64 Ca 0.22 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 3hje h GLU 64 Cb 0.00 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3hje h GLU 64 CO -0.04 0.85 -0.22 0.93 -1.16 0.00 0.00 179.01 179.37 3hje h GLU 65 N 0.77 0.58 -0.06 2.33 4.39 -1.65 -1.13 114.58 119.81 3hje h GLU 65 Ca 0.14 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 3hje h GLU 65 Cb 0.50 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3hje h GLU 65 CO 0.03 0.76 0.03 -0.92 -1.16 0.00 0.00 179.01 177.75 3hje h TYR 66 N 0.51 0.09 -0.83 4.33 3.20 -0.79 -0.98 116.97 122.51 3hje h TYR 66 Ca 0.08 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3hje h TYR 66 Cb 0.67 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 3hje h TYR 66 CO 0.03 0.15 0.53 0.82 -1.64 0.00 0.00 178.16 178.04 3hje h ILE 67 N -0.00 1.22 -0.59 1.81 2.04 -1.02 -0.87 117.51 120.10 3hje h ILE 67 Ca 0.02 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3hje h ILE 67 Cb 0.09 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 3hje h ILE 67 CO -0.00 0.22 0.39 -0.09 0.00 0.00 0.00 178.15 178.67 3hje h ARG 68 N 1.13 0.79 0.03 2.37 2.43 -1.01 -0.83 114.38 119.28 3hje h ARG 68 Ca 0.30 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3hje h ARG 68 Cb -0.09 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.29 3hje h ARG 68 CO -0.06 0.53 -0.01 1.25 -1.51 0.00 0.00 179.97 180.17 3hje h LEU 69 N 0.80 -0.03 -0.41 3.80 5.85 -0.70 -1.05 115.31 123.57 3hje h LEU 69 Ca 0.22 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.98 3hje h LEU 69 Cb -0.08 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 3hje h LEU 69 CO -0.05 0.01 0.00 0.40 -0.34 0.00 0.00 178.44 178.47 3hje h ILE 70 N -0.07 0.69 -0.12 4.05 2.04 -0.82 0.18 117.51 123.46 3hje h ILE 70 Ca -0.00 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3hje h ILE 70 Cb 0.06 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3hje h ILE 70 CO 0.01 0.02 0.01 0.44 0.00 0.00 0.00 178.15 178.63 3hje h ASP 71 N 0.11 0.19 -0.65 1.72 3.32 -1.06 -1.77 116.42 118.28 3hje h ASP 71 Ca 0.20 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 3hje h ASP 71 Cb 0.29 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3hje h ASP 71 CO -0.34 0.42 0.13 -0.08 -1.72 0.00 0.00 179.24 177.66 3hje h GLU 72 N -0.05 1.05 -0.18 3.56 4.57 -1.09 -1.41 114.58 121.03 3hje h GLU 72 Ca 0.03 -0.27 0.05 0.00 -1.18 0.00 0.00 59.36 58.00 3hje h GLU 72 Cb 0.32 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 3hje h GLU 72 CO 0.00 0.96 -0.13 0.00 -1.18 0.00 0.00 179.01 178.66 3hje h ALA 73 N 1.05 0.00 -0.49 2.92 0.00 -0.91 -1.30 119.26 120.54 3hje h ALA 73 Ca 0.20 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.26 3hje h ALA 73 Cb 0.40 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 3hje h ALA 73 CO 0.01 -0.57 0.12 -0.22 0.00 0.00 0.00 179.25 178.59 3hje h LYS 74 N -0.14 0.26 0.00 0.00 3.64 -1.03 0.38 116.57 119.68 3hje h LYS 74 Ca 0.11 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3hje h LYS 74 Cb 0.30 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3hje h LYS 74 CO -0.27 0.17 -0.13 0.66 -2.27 0.00 0.00 179.45 177.61 3hje h SER 75 N 0.27 0.00 0.13 4.20 4.64 -0.74 -1.22 113.55 120.83 3hje h SER 75 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3hje h SER 75 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3hje h SER 75 CO -0.30 0.13 -0.09 0.29 -0.87 0.00 0.00 176.83 175.99 3hje n LYS 76 N -4.20 1.18 -1.50 4.77 4.76 -0.42 -4.93 118.16 117.82 3hje n LYS 76 Ca -0.02 -0.59 0.00 0.00 -2.87 0.00 0.00 58.31 54.83 3hje n LYS 76 Cb 0.21 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 3hje n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hje n GLY 77 N 1.22 0.69 3.38 0.72 0.00 -0.46 -4.95 105.19 105.78 3hje n GLY 77 Ca 0.17 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 3hje n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hje s LEU 78 N 0.00 2.30 0.49 0.99 1.43 -0.01 -4.89 118.68 118.99 3hje s LEU 78 Ca 0.00 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.70 3hje s LEU 78 Cb 0.00 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.85 3hje s LEU 78 CO 0.00 0.29 0.45 -0.83 0.23 0.00 0.00 176.35 176.49 3hje s GLY 79 N -1.02 2.17 -0.08 -3.19 0.00 -0.09 -2.74 107.32 102.38 3hje s GLY 79 Ca 0.12 -1.68 0.05 0.00 0.00 0.00 0.00 44.72 43.20 3hje s GLY 79 CO 0.02 -1.80 -0.22 -0.42 0.00 0.00 0.00 173.10 170.68 3hje s ILE 80 N -2.62 1.89 -0.25 0.90 -1.09 -1.26 -1.23 121.20 117.54 3hje s ILE 80 Ca 0.45 -0.95 -0.04 0.00 -2.23 0.00 0.00 60.65 57.87 3hje s ILE 80 Cb -0.03 -1.63 0.00 0.00 -1.58 0.00 0.00 42.46 39.22 3hje s ILE 80 CO 0.27 0.53 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.87 3hje s ILE 81 N 0.16 3.46 -0.29 2.92 -1.09 0.33 -0.66 121.20 126.03 3hje s ILE 81 Ca -0.11 -0.67 -0.10 0.00 -2.23 0.00 0.00 60.65 57.54 3hje s ILE 81 Cb -0.16 -2.68 -0.03 0.00 -1.58 0.00 0.00 42.46 38.01 3hje s ILE 81 CO 0.06 0.27 0.16 -1.58 -1.23 0.00 0.00 174.94 172.62 3hje s GLN 82 N 1.45 3.65 0.14 2.79 2.00 0.32 -1.22 119.66 128.80 3hje s GLN 82 Ca 0.03 -0.51 -0.31 0.00 -2.00 0.00 0.00 55.36 52.57 3hje s GLN 82 Cb -0.16 -3.59 -0.09 0.00 0.80 0.00 0.00 33.01 29.97 3hje s GLN 82 CO -0.02 -0.29 1.54 0.34 -0.50 0.00 0.00 175.29 176.37 3hje s ASP 83 N 1.69 6.64 0.15 6.67 -1.08 -0.78 -1.23 116.67 128.73 3hje s ASP 83 Ca 0.06 2.54 0.06 0.00 -0.52 0.00 0.00 52.55 54.69 3hje s ASP 83 Cb -0.16 -2.59 -0.04 0.00 -1.46 0.00 0.00 42.92 38.67 3hje s ASP 83 CO 0.08 -0.80 -0.13 0.27 0.52 0.00 0.00 175.17 175.11 3hje s ILE 84 N 1.34 1.42 -0.57 4.11 -4.36 0.01 -4.04 121.20 119.11 3hje s ILE 84 Ca 0.69 -1.96 0.05 0.00 -0.26 0.00 0.00 60.65 59.17 3hje s ILE 84 Cb -0.42 -1.78 0.19 0.00 1.25 0.00 0.00 42.46 41.70 3hje s ILE 84 CO 0.31 -0.56 0.47 0.52 0.24 0.00 0.00 174.94 175.93 3hje n VAL 85 N 0.06 0.55 0.18 8.37 0.31 -1.26 -1.60 118.33 124.94 3hje n VAL 85 Ca -0.12 -4.34 0.07 0.00 -0.01 0.00 0.00 64.34 59.93 3hje n VAL 85 Cb 0.59 -1.98 0.15 0.00 -0.91 0.00 0.00 33.84 31.69 3hje n VAL 85 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3hje h PRO 86 N 5.21 0.00 0.00 5.55 0.13 -1.96 -3.38 132.00 137.55 3hje h PRO 86 Ca 0.19 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.19 3hje h PRO 86 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 3hje h PRO 86 CO 0.59 0.30 -0.61 -0.97 -0.23 0.00 0.00 178.00 177.08 3hje h ASN 87 N 0.00 0.00 -5.05 1.44 -1.24 -1.87 -3.42 115.58 105.44 3hje h ASN 87 Ca -0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 3hje h ASN 87 Cb 1.16 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 40.09 3hje h ASN 87 CO 0.04 0.61 0.05 -1.38 -1.29 0.00 0.00 177.43 175.46 3hje s HIS 88 N -3.56 -0.31 0.37 0.67 -3.43 -1.26 0.27 115.29 108.04 3hje s HIS 88 Ca -0.01 0.02 0.04 0.00 -0.80 0.00 0.00 55.06 54.31 3hje s HIS 88 Cb 0.12 0.40 -0.05 0.00 -1.43 0.00 0.00 32.58 31.62 3hje s HIS 88 CO 0.76 -0.80 0.06 -1.64 -2.00 0.00 0.00 174.74 171.12 3hje s MET 89 N -3.80 1.81 0.09 -0.38 -1.94 0.23 -4.65 119.30 110.65 3hje s MET 89 Ca 0.03 -2.05 -0.19 0.00 -1.71 0.00 0.00 55.69 51.78 3hje s MET 89 Cb 0.00 -0.97 -0.07 0.00 2.01 0.00 0.00 34.83 35.80 3hje s MET 89 CO -0.10 -0.25 0.59 0.00 -0.01 0.00 0.00 175.02 175.24 3hje s ALA 90 N -3.17 3.57 -0.82 3.03 0.00 0.63 -0.67 121.76 124.33 3hje s ALA 90 Ca 0.30 0.05 -0.24 0.00 0.00 0.00 0.00 51.96 52.08 3hje s ALA 90 Cb 0.07 -2.65 0.06 0.00 0.00 0.00 0.00 23.12 20.60 3hje s ALA 90 CO 0.14 0.40 1.22 0.08 0.00 0.00 0.00 175.76 177.60 3hje s VAL 91 N -1.16 4.07 -0.00 0.00 1.01 0.20 -4.75 120.40 119.76 3hje s VAL 91 Ca 0.31 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 3hje s VAL 91 Cb -0.19 -4.88 0.04 0.00 0.00 0.00 0.00 36.38 31.35 3hje s VAL 91 CO 0.20 -1.73 0.46 -2.28 0.00 0.00 0.00 175.10 171.74 3hje s HIS 92 N 4.67 -0.36 0.05 5.22 5.04 -1.26 -4.95 115.29 123.70 3hje s HIS 92 Ca 0.34 0.50 0.32 0.00 -1.54 0.00 0.00 55.06 54.69 3hje s HIS 92 Cb -0.08 0.24 1.51 0.00 0.04 0.00 0.00 32.58 34.29 3hje s HIS 92 CO 0.04 -0.53 1.96 1.12 -2.34 0.00 0.00 174.74 174.99 3hje h HIS 93 N 3.28 0.00 0.00 3.88 2.07 -1.92 -0.66 115.15 121.80 3hje h HIS 93 Ca -0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.23 3hje h HIS 93 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 3hje h HIS 93 CO 0.44 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.55 3hje n THR 94 N -2.74 0.00 -2.60 6.12 -2.24 -1.26 -4.47 114.28 107.09 3hje n THR 94 Ca -0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 3hje n THR 94 Cb 0.18 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 3hje n THR 94 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hje s ASN 95 N -2.58 6.53 0.33 3.42 3.84 -0.26 -4.69 114.94 121.54 3hje s ASN 95 Ca 0.28 -1.57 0.06 0.00 0.21 0.00 0.00 52.86 51.84 3hje s ASN 95 Cb 0.20 -2.55 0.59 0.00 -0.55 0.00 0.00 41.25 38.94 3hje s ASN 95 CO 0.46 -1.44 1.82 4.11 -2.79 0.00 0.00 177.10 179.27 3hje h TRP 96 N 9.57 0.41 -0.13 0.43 5.08 -1.78 -0.59 115.95 128.94 3hje h TRP 96 Ca 0.21 -0.06 0.01 0.00 1.08 0.00 0.00 58.89 60.13 3hje h TRP 96 Cb 1.00 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 27.04 3hje h TRP 96 CO 1.27 0.53 0.03 0.00 -1.28 0.00 0.00 178.44 179.00 3hje h ARG 97 N 0.35 0.09 -0.44 0.12 3.08 -1.89 -1.04 114.38 114.65 3hje h ARG 97 Ca 0.06 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 3hje h ARG 97 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3hje h ARG 97 CO 0.03 0.06 -0.21 1.25 -1.07 0.00 0.00 179.97 180.03 3hje h LEU 98 N 0.09 0.91 -1.16 3.04 5.85 -1.82 -2.77 115.31 119.44 3hje h LEU 98 Ca 0.05 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 3hje h LEU 98 Cb 0.04 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3hje h LEU 98 CO -0.07 1.09 0.34 0.24 -0.34 0.00 0.00 178.44 179.70 3hje h MET 99 N 0.78 0.92 -0.70 1.25 2.86 -0.97 -0.90 114.93 118.16 3hje h MET 99 Ca 0.11 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3hje h MET 99 Cb 0.76 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 3hje h MET 99 CO 0.06 0.69 0.44 0.22 1.06 0.00 0.00 176.91 179.38 3hje h ASP 100 N 0.92 0.72 -0.22 1.22 3.58 -0.92 -0.41 116.42 121.32 3hje h ASP 100 Ca 0.23 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.64 3hje h ASP 100 Cb 0.06 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 3hje h ASP 100 CO -0.03 0.50 -0.01 0.58 -2.88 0.00 0.00 179.24 177.40 3hje h VAL 101 N 0.86 1.26 -0.09 2.25 2.07 -1.20 -0.98 116.25 120.43 3hje h VAL 101 Ca 0.28 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 3hje h VAL 101 Cb 0.02 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3hje h VAL 101 CO -0.11 0.28 -0.09 -0.07 0.02 0.00 0.00 177.57 177.60 3hje h LEU 102 N 0.15 0.12 0.04 2.57 3.38 -0.86 0.65 115.31 121.36 3hje h LEU 102 Ca 0.06 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 3hje h LEU 102 Cb 0.42 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3hje h LEU 102 CO 0.01 0.23 -1.25 0.50 0.09 0.00 0.00 178.44 178.03 3hje h LYS 103 N 0.12 0.09 -0.00 1.13 3.64 -1.00 -3.38 116.57 117.18 3hje h LYS 103 Ca 0.03 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3hje h LYS 103 Cb 0.25 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3hje h LYS 103 CO 0.01 0.98 -0.20 1.63 -2.27 0.00 0.00 179.45 179.61 3hje n LYS 104 N -3.35 5.27 0.00 1.90 5.02 -0.38 -4.37 118.16 122.24 3hje n LYS 104 Ca -0.07 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 3hje n LYS 104 Cb 0.99 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 35.27 3hje n LYS 104 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hje n GLY 105 N 1.06 2.80 0.27 0.72 0.00 0.23 -2.89 105.19 107.37 3hje n GLY 105 Ca 0.01 -0.40 0.18 0.00 0.00 0.00 0.00 46.02 45.81 3hje n GLY 105 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hje h ARG 106 N 0.00 0.00 0.00 1.61 3.08 -1.96 -1.35 114.38 115.77 3hje h ARG 106 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hje h ARG 106 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3hje h ARG 106 CO 0.00 0.00 0.00 1.25 -1.07 0.00 0.00 179.97 180.15 3hje h HIS 107 N 0.00 0.00 -3.36 3.04 2.76 -1.91 -3.45 115.15 112.23 3hje h HIS 107 Ca 0.00 0.00 -0.52 0.00 -2.20 0.00 0.00 60.37 57.65 3hje h HIS 107 Cb 0.00 0.00 0.04 0.00 1.55 0.00 0.00 27.41 29.01 3hje h HIS 107 CO 0.00 0.00 0.71 0.45 -1.30 0.00 0.00 177.93 177.79 3hje s SER 108 N -5.18 6.77 0.45 3.26 0.15 -0.51 -4.89 113.70 113.75 3hje s SER 108 Ca 0.06 2.53 0.26 0.00 0.70 0.00 0.00 55.95 59.50 3hje s SER 108 Cb 0.09 -2.62 1.30 0.00 -1.71 0.00 0.00 66.02 63.09 3hje s SER 108 CO 0.56 -0.62 1.74 -0.09 1.20 0.00 0.00 173.24 176.03 3hje h ARG 109 N 5.29 0.21 -0.11 5.44 2.43 -1.89 -2.28 114.38 123.47 3hje h ARG 109 Ca -0.45 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3hje h ARG 109 Cb 1.22 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3hje h ARG 109 CO 0.78 0.14 0.00 0.66 -1.51 0.00 0.00 179.97 180.04 3hje n TYR 110 N -4.51 0.13 -0.25 2.20 4.01 -1.26 -4.14 117.16 113.34 3hje n TYR 110 Ca 0.28 -0.07 -0.00 0.00 -0.16 0.00 0.00 57.90 57.96 3hje n TYR 110 Cb 1.12 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 40.27 3hje n TYR 110 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3hje h TYR 111 N 2.06 0.72 0.00 -0.72 3.20 -1.67 -0.80 116.97 119.76 3hje h TYR 111 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3hje h TYR 111 Cb 0.45 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3hje h TYR 111 CO 0.07 0.33 0.00 0.09 -1.64 0.00 0.00 178.16 177.00 3hje n ASN 112 N -4.78 0.48 0.09 -2.11 3.02 -1.26 -3.49 115.26 107.21 3hje n ASN 112 Ca 0.10 0.59 0.02 0.00 -0.03 0.00 0.00 54.58 55.25 3hje n ASN 112 Cb 0.21 -0.70 0.36 0.00 -0.61 0.00 0.00 39.78 39.04 3hje n ASN 112 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3hje h TYR 113 N 0.00 0.31 -2.52 3.10 3.20 -1.38 -3.41 116.97 116.27 3hje h TYR 113 Ca 0.00 -0.04 -0.59 0.00 3.14 0.00 0.00 58.73 61.24 3hje h TYR 113 Cb 0.46 -0.09 -0.12 0.00 1.54 0.00 0.00 36.73 38.52 3hje h TYR 113 CO 0.00 0.41 -0.69 -0.06 -1.64 0.00 0.00 178.16 176.18 3hje s PHE 114 N -4.75 2.62 -1.29 -3.82 0.08 -1.23 -0.81 117.98 108.78 3hje s PHE 114 Ca -0.06 -0.24 -0.10 0.00 0.12 0.00 0.00 56.93 56.65 3hje s PHE 114 Cb 0.15 -1.20 0.15 0.00 -0.57 0.00 0.00 43.02 41.56 3hje s PHE 114 CO 0.74 0.59 1.89 -3.47 -0.10 0.00 0.00 175.22 174.87 3hje n ASP 115 N -0.49 4.98 -4.82 1.36 2.03 -0.24 -4.74 116.55 114.63 3hje n ASP 115 Ca -0.08 -3.08 -0.33 0.00 0.52 0.00 0.00 54.79 51.82 3hje n ASP 115 Cb 0.58 -1.50 -0.05 0.00 -0.72 0.00 0.00 41.12 39.42 3hje n ASP 115 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3hje s PHE 116 N 0.74 3.24 -0.60 -0.67 0.08 -1.26 -1.36 117.98 118.14 3hje s PHE 116 Ca 0.41 1.58 -0.25 0.00 0.12 0.00 0.00 56.93 58.79 3hje s PHE 116 Cb 0.09 -2.90 0.04 0.00 -0.57 0.00 0.00 43.02 39.68 3hje s PHE 116 CO -0.00 -0.36 1.03 0.71 -0.10 0.00 0.00 175.22 176.50 3hje s TYR 117 N -2.19 2.68 0.17 0.36 2.02 0.53 -4.91 117.35 116.01 3hje s TYR 117 Ca 0.63 -0.06 0.31 0.00 -0.37 0.00 0.00 57.07 57.58 3hje s TYR 117 Cb -0.11 -4.25 1.32 0.00 -0.40 0.00 0.00 41.96 38.51 3hje s TYR 117 CO 0.18 -1.54 1.97 0.93 -1.57 0.00 0.00 175.55 175.52 3hje h GLU 118 N 9.49 0.00 0.00 -0.62 5.08 -1.94 -2.28 114.58 124.31 3hje h GLU 118 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3hje h GLU 118 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3hje h GLU 118 CO 1.15 0.07 0.00 1.05 -1.00 0.00 0.00 179.01 180.28 3hje h GLU 119 N 0.00 0.00 -6.43 2.33 9.09 -1.98 -3.43 114.58 114.16 3hje h GLU 119 Ca -0.00 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.87 3hje h GLU 119 Cb 0.53 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.62 3hje h GLU 119 CO 0.01 0.00 0.41 -1.21 0.05 0.00 0.00 179.01 178.27 3hje s GLU 120 N -3.77 4.53 0.19 1.06 0.41 -0.86 -4.94 118.70 115.32 3hje s GLU 120 Ca -0.01 1.50 -0.09 0.00 -0.41 0.00 0.00 54.97 55.96 3hje s GLU 120 Cb 0.10 -3.43 0.12 0.00 -1.78 0.00 0.00 34.13 29.14 3hje s GLU 120 CO 0.46 -0.10 1.75 1.49 -0.49 0.00 0.00 175.26 178.37 3hje h GLU 121 N 6.79 1.07 -5.92 1.61 4.81 -1.89 -3.43 114.58 117.61 3hje h GLU 121 Ca -0.41 -0.21 -0.52 0.00 -0.13 0.00 0.00 59.36 58.09 3hje h GLU 121 Cb 1.22 -0.17 -0.22 0.00 0.63 0.00 0.00 28.75 30.21 3hje h GLU 121 CO 0.76 0.89 -0.82 0.15 -0.73 0.00 0.00 179.01 179.27 3hje s LYS 122 N -5.50 1.06 -0.38 1.92 1.02 -1.26 -5.00 119.74 111.60 3hje s LYS 122 Ca -0.12 -1.08 -0.29 0.00 0.02 0.00 0.00 55.97 54.50 3hje s LYS 122 Cb 0.14 -1.24 -0.00 0.00 -0.52 0.00 0.00 37.83 36.21 3hje s LYS 122 CO 0.82 0.29 1.59 0.42 -0.92 0.00 0.00 175.35 177.55 3hje s ILE 123 N -1.14 3.71 -0.17 2.17 1.01 -0.88 -4.75 121.20 121.15 3hje s ILE 123 Ca 0.04 0.71 -0.25 0.00 0.00 0.00 0.00 60.65 61.16 3hje s ILE 123 Cb -0.10 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 3hje s ILE 123 CO 0.03 -0.62 0.81 -0.13 0.00 0.00 0.00 174.94 175.04 3hje s ARG 124 N 5.29 4.29 -0.27 2.79 0.52 -1.26 -0.08 118.95 130.23 3hje s ARG 124 Ca 0.69 0.98 0.03 0.00 -0.52 0.00 0.00 55.73 56.92 3hje s ARG 124 Cb -0.17 -3.57 0.07 0.00 0.52 0.00 0.00 34.95 31.79 3hje s ARG 124 CO 0.33 -0.32 -0.08 0.42 0.02 0.00 0.00 175.30 175.67 3hje s ILE 125 N 2.11 2.13 -0.38 1.52 1.01 -0.03 -2.27 121.20 125.29 3hje s ILE 125 Ca 0.38 -1.70 -0.29 0.00 0.00 0.00 0.00 60.65 59.03 3hje s ILE 125 Cb -0.16 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.01 3hje s ILE 125 CO 0.12 -0.12 1.38 -2.16 0.00 0.00 0.00 174.94 174.17 3hje s PRO 126 N 1.10 3.68 0.00 2.79 0.05 -1.26 -0.99 135.00 140.37 3hje s PRO 126 Ca -0.06 1.04 0.00 0.00 0.05 0.00 0.00 61.00 62.03 3hje s PRO 126 Cb -0.20 -3.98 0.00 0.00 0.05 0.00 0.00 34.50 30.37 3hje s PRO 126 CO -0.06 -1.43 0.00 1.51 0.05 0.00 0.00 177.00 177.08 3hje n ILE 127 N 6.80 0.00 -2.65 0.56 3.06 0.42 -4.63 119.36 122.91 3hje n ILE 127 Ca 0.16 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.99 3hje n ILE 127 Cb 0.48 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.62 3hje n ILE 127 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 3hje s LEU 128 N -0.40 4.43 -0.00 9.51 1.43 0.28 -4.43 118.68 129.49 3hje s LEU 128 Ca 0.00 1.80 0.07 0.00 -1.03 0.00 0.00 54.13 54.97 3hje s LEU 128 Cb 0.00 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.55 3hje s LEU 128 CO 0.00 -0.22 0.23 0.61 0.23 0.00 0.00 176.35 177.20 3hje n GLY 129 N 2.64 0.12 0.00 -3.19 0.00 -1.26 -1.02 105.19 102.47 3hje n GLY 129 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3hje n GLY 129 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hje n ASP 130 N -1.37 0.00 -2.12 1.61 5.68 -1.26 -5.06 116.55 114.02 3hje n ASP 130 Ca 0.00 -0.42 -0.22 0.00 -0.50 0.00 0.00 54.79 53.65 3hje n ASP 130 Cb 0.13 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.13 3hje n ASP 130 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3hje n ARG 131 N 0.00 3.44 -2.93 0.11 1.74 -1.26 -4.99 116.66 112.77 3hje n ARG 131 Ca 0.00 -4.14 -0.44 0.00 -0.77 0.00 0.00 57.85 52.51 3hje n ARG 131 Cb 0.00 -2.22 -0.03 0.00 -1.02 0.00 0.00 32.46 29.19 3hje n ARG 131 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3hje s ASN 132 N -3.61 6.42 0.14 0.55 2.47 -1.26 -5.02 114.94 114.63 3hje s ASN 132 Ca 0.49 -1.63 0.08 0.00 0.42 0.00 0.00 52.86 52.22 3hje s ASN 132 Cb 0.40 -2.39 -0.04 0.00 -1.45 0.00 0.00 41.25 37.77 3hje s ASN 132 CO 0.02 -1.19 -0.08 -0.36 -3.72 0.00 0.00 177.10 171.77 3hje s PHE 133 N 3.10 2.73 0.32 0.43 0.08 -1.26 -4.55 117.98 118.84 3hje s PHE 133 Ca 0.26 -0.17 0.03 0.00 0.12 0.00 0.00 56.93 57.17 3hje s PHE 133 Cb -0.11 -1.38 -0.02 0.00 -0.57 0.00 0.00 43.02 40.93 3hje s PHE 133 CO -0.01 0.47 0.34 -1.59 -0.10 0.00 0.00 175.22 174.33 3hje s LYS 134 N -2.52 1.76 -0.12 0.44 -2.85 -0.81 -5.01 119.74 110.62 3hje s LYS 134 Ca 0.24 -1.88 0.00 0.00 -1.00 0.00 0.00 55.97 53.33 3hje s LYS 134 Cb -0.10 0.37 -0.02 0.00 -2.06 0.00 0.00 37.83 36.02 3hje s LYS 134 CO 0.15 -0.68 -0.13 0.42 0.10 0.00 0.00 175.35 175.22 3hje s ILE 135 N -3.38 3.11 0.00 3.79 -1.09 -1.26 -0.58 121.20 121.80 3hje s ILE 135 Ca 0.37 -0.65 0.02 0.00 -2.23 0.00 0.00 60.65 58.15 3hje s ILE 135 Cb 0.02 -2.29 -0.01 0.00 -1.58 0.00 0.00 42.46 38.60 3hje s ILE 135 CO 0.23 0.54 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.53 3hje s THR 136 N 0.15 0.45 -0.06 2.92 2.01 -0.56 -4.93 115.64 115.62 3hje s THR 136 Ca -0.07 -0.36 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 3hje s THR 136 Cb -0.15 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 3hje s THR 136 CO 0.05 0.05 0.15 -0.31 -0.69 0.00 0.00 174.62 173.87 3hje s TYR 137 N -0.31 3.55 -0.14 4.92 1.51 -1.26 -0.32 117.35 125.30 3hje s TYR 137 Ca 0.00 0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 56.49 3hje s TYR 137 Cb -0.03 -1.87 0.03 0.00 -0.11 0.00 0.00 41.96 39.98 3hje s TYR 137 CO -0.00 0.68 -0.08 0.08 -1.11 0.00 0.00 175.55 175.12 3hje s VAL 138 N -1.18 1.21 -1.36 0.71 1.01 -0.37 -4.83 120.40 115.59 3hje s VAL 138 Ca 0.21 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 3hje s VAL 138 Cb -0.12 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.01 3hje s VAL 138 CO 0.12 0.29 0.39 -0.46 0.00 0.00 0.00 175.10 175.44 3hje n ASN 139 N 4.87 -1.75 0.00 3.32 0.23 -1.26 -1.80 115.26 118.87 3hje n ASN 139 Ca -0.13 -1.23 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 3hje n ASN 139 Cb 0.49 -1.96 0.00 0.00 -2.08 0.00 0.00 39.78 36.23 3hje n ASN 139 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3hje n ASP 140 N -2.59 -1.22 -4.60 0.53 8.00 -1.26 -5.00 116.55 110.41 3hje n ASP 140 Ca -0.22 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 54.94 3hje n ASP 140 Cb 0.63 -0.97 -0.10 0.00 -0.02 0.00 0.00 41.12 40.66 3hje n ASP 140 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hje s GLU 141 N -0.40 3.71 0.26 -1.24 0.41 -0.74 -5.09 118.70 115.61 3hje s GLU 141 Ca 0.00 -0.41 -0.29 0.00 -0.41 0.00 0.00 54.97 53.85 3hje s GLU 141 Cb 0.00 -3.04 -0.09 0.00 -1.78 0.00 0.00 34.13 29.22 3hje s GLU 141 CO 0.00 0.34 1.12 -1.25 -0.49 0.00 0.00 175.26 174.98 3hje s PRO 142 N 0.15 4.60 0.06 0.39 0.04 -1.26 -1.24 135.00 137.74 3hje s PRO 142 Ca 0.02 1.83 0.07 0.00 0.04 0.00 0.00 61.00 62.96 3hje s PRO 142 Cb -0.13 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 3hje s PRO 142 CO 0.02 0.14 -0.19 0.71 0.04 0.00 0.00 177.00 177.72 3hje s TYR 143 N -0.96 1.69 -0.07 0.56 1.51 0.57 -4.04 117.35 116.61 3hje s TYR 143 Ca 0.46 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.84 3hje s TYR 143 Cb -0.32 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 3hje s TYR 143 CO 0.41 0.11 1.32 -1.17 -1.11 0.00 0.00 175.55 175.11 3hje s LEU 144 N -1.38 4.27 -0.32 -1.29 0.20 0.14 -1.49 118.68 118.81 3hje s LEU 144 Ca 0.06 1.91 -0.05 0.00 0.69 0.00 0.00 54.13 56.74 3hje s LEU 144 Cb -0.09 -3.55 0.04 0.00 -0.43 0.00 0.00 46.19 42.16 3hje s LEU 144 CO 0.02 -0.71 0.07 -0.62 -0.29 0.00 0.00 176.35 174.82 3hje s ASP 145 N 1.91 5.15 -0.57 3.68 -1.08 0.25 -0.76 116.67 125.25 3hje s ASP 145 Ca 0.60 -1.17 -0.08 0.00 -0.52 0.00 0.00 52.55 51.38 3hje s ASP 145 Cb -0.27 -1.81 0.15 0.00 -1.46 0.00 0.00 42.92 39.53 3hje s ASP 145 CO 0.22 -0.30 0.43 -0.47 0.52 0.00 0.00 175.17 175.58 3hje s TYR 146 N 1.35 3.49 -1.45 -5.34 5.04 0.34 -1.93 117.35 118.85 3hje s TYR 146 Ca -0.03 -2.19 -0.01 0.00 -2.44 0.00 0.00 57.07 52.40 3hje s TYR 146 Cb -0.19 -3.44 0.01 0.00 0.35 0.00 0.00 41.96 38.68 3hje s TYR 146 CO 0.01 -0.95 0.37 0.66 -1.34 0.00 0.00 175.55 174.31 3hje n TYR 147 N 4.30 -1.59 -0.33 4.97 4.01 -1.26 -1.25 117.16 126.01 3hje n TYR 147 Ca 0.01 0.73 0.00 0.00 -0.16 0.00 0.00 57.90 58.48 3hje n TYR 147 Cb 0.41 -3.54 0.00 0.00 -0.31 0.00 0.00 39.34 35.90 3hje n TYR 147 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hje n GLY 148 N -2.04 1.71 3.58 2.72 0.00 -1.26 -5.00 105.19 104.90 3hje n GLY 148 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3hje n GLY 148 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hje s ASN 149 N -3.32 6.41 -0.13 1.61 0.01 -0.38 -5.05 114.94 114.10 3hje s ASN 149 Ca 0.00 0.26 -0.03 0.00 -0.71 0.00 0.00 52.86 52.38 3hje s ASN 149 Cb 0.00 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 3hje s ASN 149 CO 0.00 -0.46 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.34 3hje s LEU 150 N 2.50 3.37 0.02 0.60 1.02 -1.26 -0.50 118.68 124.43 3hje s LEU 150 Ca 0.22 -0.03 0.04 0.00 0.02 0.00 0.00 54.13 54.38 3hje s LEU 150 Cb -0.15 -1.79 -0.01 0.00 0.02 0.00 0.00 46.19 44.25 3hje s LEU 150 CO 0.12 0.25 -0.11 -0.36 0.02 0.00 0.00 176.35 176.27 3hje s PHE 151 N -0.10 1.00 0.86 0.29 0.08 0.06 -4.27 117.98 115.90 3hje s PHE 151 Ca 0.03 -0.27 -0.12 0.00 0.12 0.00 0.00 56.93 56.69 3hje s PHE 151 Cb -0.13 -0.62 0.11 0.00 -0.57 0.00 0.00 43.02 41.81 3hje s PHE 151 CO 0.02 -0.00 1.13 -1.25 -0.10 0.00 0.00 175.22 175.02 3hje s PRO 152 N -0.71 1.55 -0.12 0.24 0.04 -1.26 0.28 135.00 135.02 3hje s PRO 152 Ca 0.02 0.36 0.01 0.00 0.04 0.00 0.00 61.00 61.42 3hje s PRO 152 Cb -0.06 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.62 3hje s PRO 152 CO 0.00 -1.93 -0.15 0.42 0.04 0.00 0.00 177.00 175.39 3hje s ILE 153 N -3.29 1.54 1.05 0.56 1.01 -1.26 -4.63 121.20 116.18 3hje s ILE 153 Ca 0.63 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 3hje s ILE 153 Cb -0.14 -1.42 0.22 0.00 0.01 0.00 0.00 42.46 41.13 3hje s ILE 153 CO 0.53 0.45 1.11 0.54 0.00 0.00 0.00 174.94 177.56 3hje s ASN 154 N 1.18 2.18 0.22 3.58 2.20 -1.26 -4.77 114.94 118.26 3hje s ASN 154 Ca -0.02 0.98 -0.09 0.00 -0.94 0.00 0.00 52.86 52.79 3hje s ASN 154 Cb -0.14 -1.51 0.22 0.00 -2.00 0.00 0.00 41.25 37.81 3hje s ASN 154 CO -0.05 -3.38 1.85 0.44 -2.94 0.00 0.00 177.10 173.02 3hje h ASP 155 N -2.07 0.77 -0.64 3.54 5.19 -1.98 -1.71 116.42 119.52 3hje h ASP 155 Ca -0.52 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.85 3hje h ASP 155 Cb 1.32 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.63 3hje h ASP 155 CO 0.52 0.53 0.25 -0.08 -3.12 0.00 0.00 179.24 177.34 3hje h GLU 156 N 0.92 1.00 0.00 3.56 4.81 -1.93 -2.83 114.58 120.10 3hje h GLU 156 Ca 0.30 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3hje h GLU 156 Cb 0.03 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3hje h GLU 156 CO -0.12 0.83 -0.23 0.78 -0.73 0.00 0.00 179.01 179.54 3hje h GLY 157 N 1.06 0.00 2.00 1.92 0.00 -1.62 -3.04 103.07 103.38 3hje h GLY 157 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3hje h GLY 157 CO -0.02 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.06 3hje n ARG 158 N -3.68 0.03 0.00 4.80 1.74 -0.91 -0.80 116.66 117.84 3hje n ARG 158 Ca -0.01 0.22 0.14 0.00 -0.77 0.00 0.00 57.85 57.43 3hje n ARG 158 Cb 0.35 -1.56 0.62 0.00 -1.02 0.00 0.00 32.46 30.85 3hje n ARG 158 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hje n ASN 159 N -1.62 0.18 -0.62 0.55 3.02 -1.15 -4.14 115.26 111.48 3hje n ASN 159 Ca 0.04 -0.07 0.06 0.00 -0.03 0.00 0.00 54.58 54.58 3hje n ASN 159 Cb 0.22 -0.24 0.17 0.00 -0.61 0.00 0.00 39.78 39.33 3hje n ASN 159 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hje n TYR 160 N -1.29 0.00 0.19 3.10 4.01 0.02 -4.80 117.16 118.39 3hje n TYR 160 Ca 0.11 -1.28 0.15 0.00 -0.16 0.00 0.00 57.90 56.72 3hje n TYR 160 Cb 0.29 -0.22 0.77 0.00 -0.31 0.00 0.00 39.34 39.87 3hje n TYR 160 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hje h LEU 161 N 0.83 0.00 -1.84 7.72 3.38 -1.72 0.66 115.31 124.34 3hje h LEU 161 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hje h LEU 161 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hje h LEU 161 CO 0.01 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.13 3hje n ASN 162 N -4.09 2.76 -3.43 -0.43 3.02 -1.26 -4.51 115.26 107.33 3hje n ASN 162 Ca 0.01 -1.89 -0.27 0.00 -0.03 0.00 0.00 54.58 52.40 3hje n ASN 162 Cb 0.29 -0.18 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 3hje n ASN 162 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hje s ASP 163 N -1.56 1.83 0.24 6.41 -1.08 0.22 -5.02 116.67 117.71 3hje s ASP 163 Ca 0.36 -2.96 -0.05 0.00 -0.52 0.00 0.00 52.55 49.38 3hje s ASP 163 Cb 0.21 -0.49 0.25 0.00 -1.46 0.00 0.00 42.92 41.42 3hje s ASP 163 CO 0.30 -0.19 1.76 0.40 0.52 0.00 0.00 175.17 177.96 3hje h ILE 164 N 4.69 1.25 -0.82 4.11 2.04 -1.79 -1.09 117.51 125.90 3hje h ILE 164 Ca 0.23 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 3hje h ILE 164 Cb 0.91 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 3hje h ILE 164 CO 0.37 0.35 0.49 -0.33 0.00 0.00 0.00 178.15 179.03 3hje h GLU 165 N 0.94 1.12 -0.14 2.37 4.39 -1.95 -0.08 114.58 121.22 3hje h GLU 165 Ca 0.20 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.63 3hje h GLU 165 Cb 0.36 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3hje h GLU 165 CO 0.00 0.79 -0.59 -0.22 -1.16 0.00 0.00 179.01 177.84 3hje h LYS 166 N 1.14 0.46 -0.27 2.33 1.63 -1.81 -2.78 116.57 117.27 3hje h LYS 166 Ca 0.30 -0.30 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 3hje h LYS 166 Cb -0.03 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 3hje h LYS 166 CO -0.05 0.91 0.11 1.25 -3.45 0.00 0.00 179.45 178.21 3hje h LEU 167 N 0.34 0.13 -1.10 5.20 6.46 -0.69 -3.01 115.31 122.64 3hje h LEU 167 Ca -0.00 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.74 3hje h LEU 167 Cb 1.12 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.03 3hje h LEU 167 CO 0.10 0.11 0.14 -0.07 -0.62 0.00 0.00 178.44 178.10 3hje h LEU 168 N 0.23 0.72 -1.65 2.25 3.38 -0.97 -2.82 115.31 116.45 3hje h LEU 168 Ca 0.12 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3hje h LEU 168 Cb 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3hje h LEU 168 CO -0.11 0.70 0.34 0.11 0.09 0.00 0.00 178.44 179.57 3hje h LYS 169 N 0.76 0.41 -0.19 1.13 1.57 -1.35 -2.19 116.57 116.71 3hje h LYS 169 Ca 0.17 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3hje h LYS 169 Cb 0.26 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3hje h LYS 169 CO -0.00 0.27 0.00 1.33 -0.57 0.00 0.00 179.45 180.48 3hje n VAL 170 N -4.47 0.23 -1.82 0.50 0.24 -1.07 -4.96 118.33 106.98 3hje n VAL 170 Ca 0.07 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.55 3hje n VAL 170 Cb 0.26 0.85 0.03 0.00 -1.47 0.00 0.00 33.84 33.51 3hje n VAL 170 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3hje s GLN 171 N -1.77 3.21 0.00 7.34 -1.52 -0.82 -4.83 119.66 121.26 3hje s GLN 171 Ca 0.34 1.02 0.27 0.00 -1.95 0.00 0.00 55.36 55.05 3hje s GLN 171 Cb 0.20 -2.02 0.95 0.00 -0.22 0.00 0.00 33.01 31.91 3hje s GLN 171 CO 0.30 -0.89 1.70 0.66 -0.25 0.00 0.00 175.29 176.82 3hje n TYR 172 N -2.60 0.00 -4.34 0.91 4.01 -1.26 -4.81 117.16 109.06 3hje n TYR 172 Ca 0.08 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.58 3hje n TYR 172 Cb 0.53 -0.29 -0.08 0.00 -0.31 0.00 0.00 39.34 39.19 3hje n TYR 172 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 3hje s TYR 173 N -2.80 2.55 -0.11 -0.72 -0.85 -1.26 -2.07 117.35 112.09 3hje s TYR 173 Ca 0.18 -0.35 -0.00 0.00 -0.52 0.00 0.00 57.07 56.38 3hje s TYR 173 Cb 0.19 -1.30 0.02 0.00 0.38 0.00 0.00 41.96 41.25 3hje s TYR 173 CO 0.57 0.57 -0.08 -2.00 -1.52 0.00 0.00 175.55 173.08 3hje s GLU 174 N -3.67 1.59 -0.08 -3.49 2.12 0.88 -4.80 118.70 111.25 3hje s GLU 174 Ca 0.33 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.08 3hje s GLU 174 Cb -0.03 -1.60 -0.02 0.00 0.26 0.00 0.00 34.13 32.74 3hje s GLU 174 CO 0.19 -0.24 1.02 -0.51 -0.54 0.00 0.00 175.26 175.18 3hje s LEU 175 N 1.59 4.28 0.39 2.70 1.43 -1.26 -0.85 118.68 126.95 3hje s LEU 175 Ca 0.03 1.58 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 3hje s LEU 175 Cb -0.13 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 3hje s LEU 175 CO -0.07 -0.42 0.05 0.68 0.23 0.00 0.00 176.35 176.83 3hje s VAL 176 N 1.79 1.25 0.27 -1.59 -7.23 -0.16 -4.91 120.40 109.81 3hje s VAL 176 Ca 0.50 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.38 3hje s VAL 176 Cb -0.19 -2.67 -0.15 0.00 0.56 0.00 0.00 36.38 33.93 3hje s VAL 176 CO 0.21 0.00 0.95 -0.67 -0.31 0.00 0.00 175.10 175.28 3hje n ASP 177 N -0.95 0.94 0.22 4.85 2.03 -1.26 -0.44 116.55 121.95 3hje n ASP 177 Ca -0.06 1.17 0.15 0.00 0.52 0.00 0.00 54.79 56.57 3hje n ASP 177 Cb 0.66 -1.23 0.79 0.00 -0.72 0.00 0.00 41.12 40.62 3hje n ASP 177 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3hje h TRP 178 N 1.97 0.00 -0.00 -0.67 5.08 -1.29 -1.26 115.95 119.78 3hje h TRP 178 Ca -0.38 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.59 3hje h TRP 178 Cb 1.35 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.51 3hje h TRP 178 CO 0.47 0.00 -0.68 0.54 -1.28 0.00 0.00 178.44 177.49 3hje n ARG 179 N -2.57 0.09 -1.50 0.12 1.74 -1.26 -4.66 116.66 108.62 3hje n ARG 179 Ca -0.01 -0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.71 3hje n ARG 179 Cb 0.08 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.14 3hje n ARG 179 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hje s ASP 180 N -2.96 3.82 0.23 0.55 1.11 -0.48 -5.04 116.67 113.91 3hje s ASP 180 Ca 0.11 1.14 -0.30 0.00 0.18 0.00 0.00 52.55 53.68 3hje s ASP 180 Cb 0.17 -1.79 -0.09 0.00 1.07 0.00 0.00 42.92 42.28 3hje s ASP 180 CO 0.75 -2.37 0.95 -0.72 1.18 0.00 0.00 175.17 174.96 3hje s TYR 181 N -3.19 3.95 0.58 4.23 -0.85 -1.26 -4.72 117.35 116.09 3hje s TYR 181 Ca 0.63 1.90 -0.13 0.00 -0.52 0.00 0.00 57.07 58.95 3hje s TYR 181 Cb -0.15 -3.00 -0.05 0.00 0.38 0.00 0.00 41.96 39.14 3hje s TYR 181 CO 0.54 0.39 1.01 -1.25 -1.52 0.00 0.00 175.55 174.71 3hje s PRO 182 N -1.06 3.71 -0.56 -3.49 0.04 -1.26 -4.71 135.00 127.66 3hje s PRO 182 Ca 0.42 0.80 -0.01 0.00 0.04 0.00 0.00 61.00 62.24 3hje s PRO 182 Cb -0.26 -2.11 0.41 0.00 0.04 0.00 0.00 34.50 32.59 3hje s PRO 182 CO 0.32 -0.46 2.01 -1.13 0.04 0.00 0.00 177.00 177.78 3hje n SER 183 N -2.37 7.01 -3.71 6.66 3.41 -0.96 -4.89 113.62 118.77 3hje n SER 183 Ca 0.06 -3.59 -0.12 0.00 -0.26 0.00 0.00 58.87 54.96 3hje n SER 183 Cb 0.54 -0.98 -0.07 0.00 -0.26 0.00 0.00 64.21 63.45 3hje n SER 183 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3hje s TYR 184 N -3.30 -0.17 0.09 7.33 -0.85 -1.26 -0.35 117.35 118.85 3hje s TYR 184 Ca 0.56 0.05 -0.31 0.00 -0.52 0.00 0.00 57.07 56.85 3hje s TYR 184 Cb 0.44 0.16 -0.07 0.00 0.38 0.00 0.00 41.96 42.86 3hje s TYR 184 CO 0.00 -0.55 1.38 0.50 -1.52 0.00 0.00 175.55 175.36 3hje s ARG 185 N -2.68 4.32 0.47 -3.49 3.52 -0.46 -4.94 118.95 115.69 3hje s ARG 185 Ca -0.04 2.04 0.08 0.00 -0.13 0.00 0.00 55.73 57.68 3hje s ARG 185 Cb -0.00 -3.31 0.03 0.00 -1.56 0.00 0.00 34.95 30.11 3hje s ARG 185 CO -0.04 -0.45 0.65 1.03 -0.81 0.00 0.00 175.30 175.68 3hje s ARG 186 N 1.33 2.65 -0.25 5.12 0.52 -1.26 -0.66 118.95 126.39 3hje s ARG 186 Ca 0.64 -1.34 -0.29 0.00 -0.52 0.00 0.00 55.73 54.22 3hje s ARG 186 Cb -0.36 -2.71 -0.00 0.00 0.52 0.00 0.00 34.95 32.40 3hje s ARG 186 CO 0.30 -0.47 1.27 0.12 0.02 0.00 0.00 175.30 176.53 3hje s PHE 187 N -2.47 2.79 0.00 -0.53 5.36 -1.03 -4.67 117.98 117.44 3hje s PHE 187 Ca 0.57 0.96 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 3hje s PHE 187 Cb -0.09 -3.73 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 3hje s PHE 187 CO 0.35 -1.60 0.00 1.19 -1.46 0.00 0.00 175.22 173.70 3hje n PHE 188 N 7.20 0.00 -1.08 10.12 3.72 -1.26 -0.84 117.46 135.32 3hje n PHE 188 Ca 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.53 3hje n PHE 188 Cb 0.46 0.00 0.29 0.00 -0.94 0.00 0.00 39.48 39.29 3hje n PHE 188 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hje n ALA 189 N 9.16 4.07 -2.65 4.37 0.00 -1.26 -4.93 120.51 129.27 3hje n ALA 189 Ca 0.00 -2.41 -0.43 0.00 0.00 0.00 0.00 53.44 50.60 3hje n ALA 189 Cb 0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 3hje n ALA 189 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hje s VAL 190 N -2.97 4.48 0.50 0.00 1.01 -0.02 -4.91 120.40 118.49 3hje s VAL 190 Ca 0.51 0.22 0.15 0.00 0.00 0.00 0.00 61.98 62.85 3hje s VAL 190 Cb 0.41 -4.48 0.25 0.00 0.00 0.00 0.00 36.38 32.56 3hje s VAL 190 CO 0.11 -1.02 2.11 0.78 0.00 0.00 0.00 175.10 177.08 3hje h ASN 191 N 9.22 0.04 -0.08 3.32 2.35 -1.91 -2.38 115.58 126.14 3hje h ASN 191 Ca -0.26 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 3hje h ASN 191 Cb 1.08 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3hje h ASN 191 CO 1.06 0.07 0.00 -0.62 -1.65 0.00 0.00 177.43 176.28 3hje n GLU 192 N -4.49 1.33 -4.06 0.81 4.71 -1.26 -4.65 120.64 113.03 3hje n GLU 192 Ca -0.02 -0.49 -0.31 0.00 -0.01 0.00 0.00 57.16 56.32 3hje n GLU 192 Cb 0.12 -1.32 -0.16 0.00 -1.01 0.00 0.00 31.44 29.07 3hje n GLU 192 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3hje s LEU 193 N -1.54 2.10 -0.14 -4.62 1.43 -0.90 -0.63 118.68 114.38 3hje s LEU 193 Ca 0.29 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.66 3hje s LEU 193 Cb 0.14 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 3hje s LEU 193 CO 0.23 -0.06 -0.00 -0.51 0.23 0.00 0.00 176.35 176.24 3hje s ILE 194 N 1.36 4.24 0.43 -0.59 2.07 0.15 -2.45 121.20 126.40 3hje s ILE 194 Ca 0.03 -0.25 -0.23 0.00 -1.41 0.00 0.00 60.65 58.79 3hje s ILE 194 Cb -0.14 -2.84 -0.08 0.00 0.13 0.00 0.00 42.46 39.52 3hje s ILE 194 CO -0.11 0.52 1.09 0.00 -1.91 0.00 0.00 174.94 174.54 3hje s ALA 195 N -0.05 3.03 -0.10 1.50 0.00 0.16 -0.60 121.76 125.70 3hje s ALA 195 Ca 0.03 0.78 -0.02 0.00 0.00 0.00 0.00 51.96 52.75 3hje s ALA 195 Cb -0.13 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3hje s ALA 195 CO 0.02 -0.38 -0.02 0.08 0.00 0.00 0.00 175.76 175.46 3hje s VAL 196 N -1.64 4.15 -1.32 0.00 1.01 0.14 -1.08 120.40 121.66 3hje s VAL 196 Ca 0.60 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 3hje s VAL 196 Cb -0.24 -2.75 0.13 0.00 0.00 0.00 0.00 36.38 33.51 3hje s VAL 196 CO 0.30 0.58 1.91 0.54 0.00 0.00 0.00 175.10 178.42 3hje n ARG 197 N 2.46 3.35 0.28 2.72 1.74 0.01 -4.76 116.66 122.45 3hje n ARG 197 Ca -0.18 -3.30 0.18 0.00 -0.77 0.00 0.00 57.85 53.78 3hje n ARG 197 Cb 0.53 -3.08 0.95 0.00 -1.02 0.00 0.00 32.46 29.84 3hje n ARG 197 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3hje h GLN 198 N 6.13 0.00 0.00 5.56 1.08 -1.86 -2.05 115.11 123.97 3hje h GLN 198 Ca 0.44 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.62 3hje h GLN 198 Cb 0.68 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 3hje h GLN 198 CO 1.64 0.00 -0.08 1.05 -0.95 0.00 0.00 178.83 180.48 3hje h GLU 199 N 0.00 0.00 -6.03 1.46 9.09 -1.92 -3.37 114.58 113.81 3hje h GLU 199 Ca 0.03 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.87 3hje h GLU 199 Cb 0.27 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.31 3hje h GLU 199 CO -0.00 0.08 0.61 -0.51 0.05 0.00 0.00 179.01 179.24 3hje s LEU 200 N -8.11 4.14 0.32 3.06 1.43 -0.77 -4.95 118.68 113.79 3hje s LEU 200 Ca -0.04 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.37 3hje s LEU 200 Cb 0.15 -3.42 0.53 0.00 0.03 0.00 0.00 46.19 43.48 3hje s LEU 200 CO 0.62 -0.55 1.94 -0.08 0.23 0.00 0.00 176.35 178.51 3hje h GLU 201 N 7.40 0.85 -0.04 1.70 4.81 -1.87 -0.33 114.58 127.10 3hje h GLU 201 Ca -0.24 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 58.85 3hje h GLU 201 Cb 1.10 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 3hje h GLU 201 CO 0.91 0.64 -0.19 0.11 -0.73 0.00 0.00 179.01 179.75 3hje h TRP 202 N 0.86 0.07 -0.06 0.92 5.08 -1.93 0.51 115.95 121.40 3hje h TRP 202 Ca 0.22 -0.01 -0.12 0.00 1.08 0.00 0.00 58.89 60.05 3hje h TRP 202 Cb 0.05 -0.02 0.01 0.00 -3.00 0.00 0.00 29.16 26.20 3hje h TRP 202 CO 0.01 0.25 -0.45 0.28 -1.28 0.00 0.00 178.44 177.25 3hje h VAL 203 N 0.06 1.41 -0.14 0.12 2.07 -1.40 -0.74 116.25 117.64 3hje h VAL 203 Ca 0.01 -1.86 0.05 0.00 0.82 0.00 0.00 66.70 65.72 3hje h VAL 203 Cb 0.37 2.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 3hje h VAL 203 CO 0.03 0.54 -0.25 0.15 0.02 0.00 0.00 177.57 178.06 3hje h PHE 204 N -0.07 -0.66 0.07 1.57 3.57 -0.97 -1.43 116.94 119.02 3hje h PHE 204 Ca -0.04 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.51 3hje h PHE 204 Cb 1.12 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 40.14 3hje h PHE 204 CO 0.13 -0.33 -0.23 0.93 -2.23 0.00 0.00 178.31 176.59 3hje h GLU 205 N -0.31 -0.38 -0.54 1.11 5.08 -0.89 -2.19 114.58 116.45 3hje h GLU 205 Ca 0.10 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 3hje h GLU 205 Cb 0.46 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 3hje h GLU 205 CO -0.31 -0.25 0.23 0.22 -1.00 0.00 0.00 179.01 177.89 3hje h ASP 206 N -0.40 0.27 1.51 1.42 3.58 -1.04 -1.65 116.42 120.11 3hje h ASP 206 Ca 0.04 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3hje h ASP 206 Cb 0.44 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.50 3hje h ASP 206 CO -0.16 0.18 0.00 0.77 -2.88 0.00 0.00 179.24 177.16 3hje h SER 207 N 0.43 0.00 -0.00 2.28 4.64 -1.15 -3.29 113.55 116.46 3hje h SER 207 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3hje h SER 207 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3hje h SER 207 CO -0.23 0.00 -0.43 1.41 -0.87 0.00 0.00 176.83 176.72 3hje n HIS 208 N -2.64 0.00 -0.04 4.77 8.25 -0.84 -4.73 115.22 120.00 3hje n HIS 208 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 3hje n HIS 208 Cb 0.42 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 3hje n HIS 208 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3hje h SER 209 N 0.57 -0.99 0.09 0.41 0.87 -1.38 -2.37 113.55 110.74 3hje h SER 209 Ca 0.00 0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3hje h SER 209 Cb 0.33 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 3hje h SER 209 CO 0.00 -0.34 -0.04 0.50 -0.53 0.00 0.00 176.83 176.42 3hje h LYS 210 N -0.34 -0.11 0.00 2.24 1.63 -1.84 -3.27 116.57 114.88 3hje h LYS 210 Ca 0.12 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.89 3hje h LYS 210 Cb 0.53 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 3hje h LYS 210 CO -0.41 0.39 -0.19 0.97 -3.45 0.00 0.00 179.45 176.76 3hje h ILE 211 N -0.69 0.97 -0.01 2.00 6.09 -1.77 -1.70 117.51 122.40 3hje h ILE 211 Ca -0.01 -0.70 0.00 0.00 -1.37 0.00 0.00 64.86 62.78 3hje h ILE 211 Cb 0.55 1.40 0.00 0.00 0.47 0.00 0.00 36.82 39.24 3hje h ILE 211 CO 0.02 0.19 -0.06 0.18 -3.07 0.00 0.00 178.15 175.41 3hje n LEU 212 N -4.06 0.65 -0.13 2.19 4.77 -0.89 -3.97 117.00 115.56 3hje n LEU 212 Ca -0.02 -0.14 0.14 0.00 -0.03 0.00 0.00 56.01 55.96 3hje n LEU 212 Cb 0.27 -0.09 0.63 0.00 -2.33 0.00 0.00 43.42 41.90 3hje n LEU 212 CO 0.35 0.11 0.89 -1.54 -1.33 0.00 0.00 177.39 175.87 3hje n SER 213 N -0.66 0.49 -4.93 -1.43 3.41 -0.64 -4.91 113.62 104.96 3hje n SER 213 Ca 0.18 -0.65 -0.22 0.00 -0.26 0.00 0.00 58.87 57.91 3hje n SER 213 Cb 0.26 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 3hje n SER 213 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hje s PHE 214 N -2.41 3.37 -0.30 7.33 0.08 -1.25 -5.01 117.98 119.79 3hje s PHE 214 Ca 0.31 -0.01 -0.04 0.00 0.12 0.00 0.00 56.93 57.30 3hje s PHE 214 Cb 0.20 -1.55 -0.01 0.00 -0.57 0.00 0.00 43.02 41.09 3hje s PHE 214 CO 0.46 0.47 2.90 0.39 -0.10 0.00 0.00 175.22 179.34 3hje n GLU 215 N -1.16 2.17 -1.89 0.44 -0.58 -1.26 -4.92 120.64 113.44 3hje n GLU 215 Ca -0.08 -1.80 -0.29 0.00 -0.42 0.00 0.00 57.16 54.56 3hje n GLU 215 Cb 0.57 -2.00 0.09 0.00 -0.57 0.00 0.00 31.44 29.52 3hje n GLU 215 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3hje s VAL 216 N -1.28 2.08 -0.41 2.62 -7.23 -1.26 -4.90 120.40 110.02 3hje s VAL 216 Ca 0.56 0.03 0.23 0.00 -1.81 0.00 0.00 61.98 60.98 3hje s VAL 216 Cb 0.34 -3.02 -0.14 0.00 0.56 0.00 0.00 36.38 34.12 3hje s VAL 216 CO -0.13 -0.04 0.91 0.47 -0.31 0.00 0.00 175.10 176.01 3hje n ASP 217 N -3.31 0.55 0.00 4.85 9.92 0.17 -4.94 116.55 123.79 3hje n ASP 217 Ca 0.08 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 3hje n ASP 217 Cb 0.61 0.97 0.00 0.00 -0.64 0.00 0.00 41.12 42.06 3hje n ASP 217 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hje n GLY 218 N 1.30 -1.29 3.07 0.44 0.00 -1.02 -1.38 105.19 106.32 3hje n GLY 218 Ca 0.00 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 3hje n GLY 218 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hje s TYR 219 N -2.11 0.74 -0.14 1.61 2.02 -0.43 -0.52 117.35 118.51 3hje s TYR 219 Ca 0.00 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 3hje s TYR 219 Cb 0.00 -0.44 0.01 0.00 -0.40 0.00 0.00 41.96 41.12 3hje s TYR 219 CO 0.00 -0.05 -0.20 0.50 -1.57 0.00 0.00 175.55 174.23 3hje s ARG 220 N -1.41 3.07 -0.41 -0.62 3.00 -0.37 -0.92 118.95 121.29 3hje s ARG 220 Ca -0.07 -0.83 -0.16 0.00 -1.00 0.00 0.00 55.73 53.67 3hje s ARG 220 Cb -0.09 -2.49 0.02 0.00 0.00 0.00 0.00 34.95 32.39 3hje s ARG 220 CO 0.01 -0.00 0.37 0.42 0.00 0.00 0.00 175.30 176.10 3hje s ILE 221 N 0.81 5.17 0.21 4.11 -1.09 0.11 -0.81 121.20 129.71 3hje s ILE 221 Ca -0.07 -0.45 -0.31 0.00 -2.23 0.00 0.00 60.65 57.59 3hje s ILE 221 Cb -0.15 -3.98 -0.11 0.00 -1.58 0.00 0.00 42.46 36.64 3hje s ILE 221 CO -0.01 -0.35 1.59 -0.62 -1.23 0.00 0.00 174.94 174.32 3hje s ASP 222 N 1.75 6.50 -1.27 3.58 2.15 -0.62 -1.01 116.67 127.75 3hje s ASP 222 Ca 0.09 2.75 -0.20 0.00 0.43 0.00 0.00 52.55 55.62 3hje s ASP 222 Cb -0.18 -2.61 0.02 0.00 -0.30 0.00 0.00 42.92 39.85 3hje s ASP 222 CO 0.12 -0.86 0.58 1.57 -0.17 0.00 0.00 175.17 176.41 3hje n HIS 223 N 3.36 -1.58 -0.21 -5.34 -0.00 -1.26 -4.56 115.22 105.64 3hje n HIS 223 Ca 0.12 0.37 0.15 0.00 0.46 0.00 0.00 57.72 58.82 3hje n HIS 223 Cb 0.38 -3.15 0.47 0.00 -0.12 0.00 0.00 29.99 27.56 3hje n HIS 223 CO 0.00 0.00 0.00 0.97 0.46 0.00 0.00 176.34 177.77 3hje h ILE 224 N -2.17 0.79 0.00 3.57 6.09 -1.68 -2.41 117.51 121.71 3hje h ILE 224 Ca -0.68 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.64 3hje h ILE 224 Cb 1.39 0.25 0.00 0.00 0.47 0.00 0.00 36.82 38.93 3hje h ILE 224 CO 0.55 0.09 0.00 0.47 -3.07 0.00 0.00 178.15 176.19 3hje n ASP 225 N -4.51 0.00 0.22 2.19 8.00 -1.26 -1.88 116.55 119.31 3hje n ASP 225 Ca 0.16 0.38 0.13 0.00 0.71 0.00 0.00 54.79 56.17 3hje n ASP 225 Cb 0.53 -0.43 0.34 0.00 -0.02 0.00 0.00 41.12 41.53 3hje n ASP 225 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3hje h GLY 226 N 1.87 0.00 -2.60 0.44 0.00 -1.72 -3.43 103.07 97.64 3hje h GLY 226 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3hje h GLY 226 CO 0.00 0.00 0.40 1.08 0.00 0.00 0.00 176.54 178.02 3hje s LEU 227 N -5.92 4.08 0.13 3.11 1.02 -0.79 -4.76 118.68 115.55 3hje s LEU 227 Ca 0.06 1.99 -0.14 0.00 0.02 0.00 0.00 54.13 56.06 3hje s LEU 227 Cb 0.07 -4.27 -0.01 0.00 0.02 0.00 0.00 46.19 41.99 3hje s LEU 227 CO 0.62 -0.53 1.58 0.15 0.02 0.00 0.00 176.35 178.18 3hje h PHE 228 N 2.30 0.79 -2.47 0.29 3.57 -1.90 -3.37 116.94 116.14 3hje h PHE 228 Ca -0.48 -0.14 -0.59 0.00 3.53 0.00 0.00 57.97 60.29 3hje h PHE 228 Cb 1.21 -0.21 -0.39 0.00 2.79 0.00 0.00 35.95 39.36 3hje h PHE 228 CO 0.58 0.79 -0.89 1.63 -2.23 0.00 0.00 178.31 178.19 3hje n LYS 229 N -4.43 0.67 -0.30 1.11 5.02 -1.26 -4.95 118.16 114.02 3hje n LYS 229 Ca -0.01 -3.51 -0.04 0.00 -2.02 0.00 0.00 58.31 52.74 3hje n LYS 229 Cb 0.29 -1.78 0.11 0.00 -0.02 0.00 0.00 35.03 33.63 3hje n LYS 229 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3hje h PRO 230 N 5.37 1.19 -0.11 1.97 0.13 -1.86 -2.18 132.00 136.50 3hje h PRO 230 Ca 0.22 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3hje h PRO 230 Cb 0.86 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 3hje h PRO 230 CO 0.47 0.89 0.07 1.49 -0.23 0.00 0.00 178.00 180.69 3hje h GLU 231 N 1.19 0.14 -0.76 0.86 4.81 -1.96 -1.33 114.58 117.53 3hje h GLU 231 Ca 0.29 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3hje h GLU 231 Cb 0.07 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 3hje h GLU 231 CO -0.04 0.10 0.49 1.49 -0.73 0.00 0.00 179.01 180.31 3hje h GLU 232 N 0.15 0.93 -0.15 1.92 4.81 -1.95 -0.26 114.58 120.02 3hje h GLU 232 Ca 0.04 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3hje h GLU 232 Cb -0.01 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 3hje h GLU 232 CO -0.01 0.62 0.01 -0.92 -0.73 0.00 0.00 179.01 177.98 3hje h TYR 233 N 0.96 0.02 -0.79 0.92 3.20 -1.16 -0.30 116.97 119.82 3hje h TYR 233 Ca 0.30 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 3hje h TYR 233 Cb -0.00 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 3hje h TYR 233 CO -0.03 -0.00 0.42 -0.07 -1.64 0.00 0.00 178.16 176.84 3hje h LEU 234 N 0.07 0.98 -0.54 2.82 3.38 -0.72 0.16 115.31 121.45 3hje h LEU 234 Ca 0.07 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3hje h LEU 234 Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3hje h LEU 234 CO -0.11 0.79 0.05 0.03 0.09 0.00 0.00 178.44 179.30 3hje h ARG 235 N 1.10 0.92 -0.33 1.13 3.08 -0.78 0.65 114.38 120.15 3hje h ARG 235 Ca 0.28 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3hje h ARG 235 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3hje h ARG 235 CO -0.04 0.91 0.18 0.00 -1.07 0.00 0.00 179.97 179.94 3hje h ARG 236 N 0.81 0.46 0.27 0.04 3.08 -0.49 -1.61 114.38 116.94 3hje h ARG 236 Ca 0.16 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3hje h ARG 236 Cb 0.46 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3hje h ARG 236 CO 0.02 0.40 -0.18 1.25 -1.07 0.00 0.00 179.97 180.39 3hje h LEU 237 N 0.41 -0.44 -0.82 3.04 5.85 -0.58 -2.66 115.31 120.10 3hje h LEU 237 Ca 0.12 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.00 3hje h LEU 237 Cb 0.07 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 3hje h LEU 237 CO -0.02 -0.28 0.42 0.50 -0.34 0.00 0.00 178.44 178.72 3hje h LYS 238 N -0.44 0.61 -0.05 1.25 3.64 -0.78 -0.81 116.57 120.00 3hje h LYS 238 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hje h LYS 238 Cb 0.37 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3hje h LYS 238 CO 0.02 0.41 0.03 -0.91 -2.27 0.00 0.00 179.45 176.73 3hje h ASN 239 N 0.63 0.05 0.79 4.20 2.35 -1.11 -3.10 115.58 119.40 3hje h ASN 239 Ca 0.44 -0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 56.00 3hje h ASN 239 Cb 0.57 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 3hje h ASN 239 CO -0.34 0.04 -1.31 0.11 -1.65 0.00 0.00 177.43 174.28 3hje h LYS 240 N 0.06 0.00 -0.03 0.81 1.57 -0.81 -3.39 116.57 114.78 3hje h LYS 240 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3hje h LYS 240 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3hje h LYS 240 CO -0.00 0.40 -0.15 0.44 -0.57 0.00 0.00 179.45 179.57 3hje n ILE 241 N -3.00 0.00 0.00 1.86 -5.35 -0.91 -5.04 119.36 106.92 3hje n ILE 241 Ca -0.09 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 3hje n ILE 241 Cb 0.87 1.42 0.00 0.00 -1.74 0.00 0.00 39.64 40.19 3hje n ILE 241 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hje n GLY 242 N 1.37 2.84 1.06 3.28 0.00 -1.21 -3.27 105.19 109.25 3hje n GLY 242 Ca 0.13 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3hje n GLY 242 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hje n ASN 243 N 7.40 3.19 -4.67 1.61 3.02 -1.26 -4.85 115.26 119.69 3hje n ASN 243 Ca 0.00 -1.96 -0.37 0.00 -0.03 0.00 0.00 54.58 52.22 3hje n ASN 243 Cb 0.00 -0.20 0.07 0.00 -0.61 0.00 0.00 39.78 39.04 3hje n ASN 243 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hje n LYS 244 N 1.34 0.87 -2.04 3.52 5.02 -1.20 -4.97 118.16 120.69 3hje n LYS 244 Ca 0.18 0.35 -0.33 0.00 -2.02 0.00 0.00 58.31 56.50 3hje n LYS 244 Cb 0.57 -2.36 0.01 0.00 -0.02 0.00 0.00 35.03 33.23 3hje n LYS 244 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3hje s HIS 245 N -1.55 2.96 -0.12 2.13 3.76 -0.48 -4.91 115.29 117.08 3hje s HIS 245 Ca 0.79 1.52 -0.01 0.00 -0.15 0.00 0.00 55.06 57.20 3hje s HIS 245 Cb -0.38 -3.02 0.03 0.00 1.11 0.00 0.00 32.58 30.32 3hje s HIS 245 CO 0.44 -1.16 -0.03 0.42 -0.85 0.00 0.00 174.74 173.57 3hje s ILE 246 N -2.43 0.75 0.02 0.60 1.01 -1.26 -1.32 121.20 118.57 3hje s ILE 246 Ca 0.64 -0.24 0.07 0.00 0.00 0.00 0.00 60.65 61.11 3hje s ILE 246 Cb -0.16 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 3hje s ILE 246 CO 0.37 0.21 -0.19 -0.36 0.00 0.00 0.00 174.94 174.97 3hje s PHE 247 N 1.81 2.54 0.04 3.97 0.08 -0.10 -1.07 117.98 125.24 3hje s PHE 247 Ca 0.03 -0.27 0.06 0.00 0.12 0.00 0.00 56.93 56.87 3hje s PHE 247 Cb -0.14 -1.49 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 3hje s PHE 247 CO -0.07 0.19 -0.13 0.14 -0.10 0.00 0.00 175.22 175.25 3hje s VAL 248 N -0.84 3.14 -0.40 -0.44 -7.23 -0.42 0.05 120.40 114.26 3hje s VAL 248 Ca 0.13 -1.06 -0.28 0.00 -1.81 0.00 0.00 61.98 58.97 3hje s VAL 248 Cb -0.10 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.50 3hje s VAL 248 CO 0.03 0.33 1.04 -0.70 -0.31 0.00 0.00 175.10 175.49 3hje s GLU 249 N -1.52 3.82 -0.23 4.82 2.12 -0.18 -1.70 118.70 125.83 3hje s GLU 249 Ca 0.16 0.65 -0.13 0.00 0.36 0.00 0.00 54.97 56.02 3hje s GLU 249 Cb -0.11 -3.84 0.07 0.00 0.26 0.00 0.00 34.13 30.52 3hje s GLU 249 CO 0.07 -1.12 0.57 0.21 -0.54 0.00 0.00 175.26 174.45 3hje s LYS 250 N 3.89 0.56 -0.29 4.30 2.36 -1.26 -3.37 119.74 125.94 3hje s LYS 250 Ca 0.43 1.06 -0.19 0.00 -2.55 0.00 0.00 55.97 54.72 3hje s LYS 250 Cb -0.10 0.12 -0.02 0.00 -1.05 0.00 0.00 37.83 36.79 3hje s LYS 250 CO 0.23 -0.16 0.57 0.42 1.55 0.00 0.00 175.35 177.96 3hje s ILE 251 N 1.66 5.00 0.01 5.43 -1.09 -1.26 -4.80 121.20 126.14 3hje s ILE 251 Ca -0.09 0.84 -0.06 0.00 -2.23 0.00 0.00 60.65 59.11 3hje s ILE 251 Cb -0.07 -3.92 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 3hje s ILE 251 CO -0.17 -0.04 0.25 -0.76 -1.23 0.00 0.00 174.94 172.99 3hje s LEU 252 N 2.45 4.37 0.52 2.97 1.43 -1.26 -4.61 118.68 124.55 3hje s LEU 252 Ca 0.23 0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 53.69 3hje s LEU 252 Cb -0.15 -2.67 -0.07 0.00 0.03 0.00 0.00 46.19 43.33 3hje s LEU 252 CO 0.11 0.25 0.96 -0.44 0.23 0.00 0.00 176.35 177.46 3hje s SER 253 N -1.77 6.53 0.13 2.29 0.01 -1.26 -4.88 113.70 114.75 3hje s SER 253 Ca 0.28 1.47 -0.34 0.00 1.31 0.00 0.00 55.95 58.67 3hje s SER 253 Cb -0.13 -2.47 -0.14 0.00 0.21 0.00 0.00 66.02 63.49 3hje s SER 253 CO 0.17 -0.62 1.62 -0.38 0.41 0.00 0.00 173.24 174.44 3hje n ILE 254 N -1.78 0.07 0.00 1.44 5.41 -1.26 -0.34 119.36 122.90 3hje n ILE 254 Ca 0.06 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.79 3hje n ILE 254 Cb 0.54 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.87 3hje n ILE 254 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hje n GLY 255 N 3.55 2.38 3.72 7.39 0.00 -1.26 -5.03 105.19 115.95 3hje n GLY 255 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3hje n GLY 255 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hje s GLU 256 N -0.21 4.53 -0.06 1.61 2.12 0.54 -5.06 118.70 122.17 3hje s GLU 256 Ca 0.00 1.18 -0.10 0.00 0.36 0.00 0.00 54.97 56.42 3hje s GLU 256 Cb 0.00 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 3hje s GLU 256 CO 0.00 0.11 0.25 0.21 -0.54 0.00 0.00 175.26 175.29 3hje s LYS 257 N 0.51 3.63 0.12 4.30 2.20 -1.26 -4.70 119.74 124.54 3hje s LYS 257 Ca 0.44 0.07 -0.35 0.00 -0.36 0.00 0.00 55.97 55.77 3hje s LYS 257 Cb -0.20 -3.19 -0.14 0.00 -1.51 0.00 0.00 37.83 32.79 3hje s LYS 257 CO 0.24 0.73 1.54 -0.11 -0.36 0.00 0.00 175.35 177.40 3hje n LEU 258 N 1.81 2.77 0.26 5.43 7.94 -1.26 -4.87 117.00 129.08 3hje n LEU 258 Ca -0.17 1.09 0.14 0.00 -1.11 0.00 0.00 56.01 55.95 3hje n LEU 258 Cb 0.54 -1.37 0.65 0.00 0.53 0.00 0.00 43.42 43.78 3hje n LEU 258 CO 0.35 -0.45 0.93 -0.09 -1.11 0.00 0.00 177.39 177.02 3hje h ARG 259 N 5.81 0.00 -4.60 1.96 9.65 -2.03 -3.41 114.38 121.76 3hje h ARG 259 Ca -0.46 0.00 -0.69 0.00 -1.10 0.00 0.00 59.98 57.74 3hje h ARG 259 Cb 1.27 0.00 -0.35 0.00 -1.39 0.00 0.00 29.97 29.51 3hje h ARG 259 CO 0.87 0.12 -0.62 -1.58 2.80 0.00 0.00 179.97 181.56 3hje s TRP 260 N -3.86 3.51 -1.12 2.20 0.51 -1.26 -4.96 118.94 113.97 3hje s TRP 260 Ca -0.01 -2.32 0.29 0.00 -2.12 0.00 0.00 56.10 51.94 3hje s TRP 260 Cb 0.11 -2.85 1.28 0.00 -0.81 0.00 0.00 33.47 31.19 3hje s TRP 260 CO 0.58 -0.92 1.94 -0.25 -0.51 0.00 0.00 176.95 177.79 3hje n ASP 261 N 4.56 0.04 -1.22 2.95 8.00 -1.26 -3.59 116.55 126.02 3hje n ASP 261 Ca -0.05 0.28 0.12 0.00 0.71 0.00 0.00 54.79 55.85 3hje n ASP 261 Cb 0.42 -0.40 0.25 0.00 -0.02 0.00 0.00 41.12 41.37 3hje n ASP 261 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3hje n PHE 262 N -1.43 0.67 -4.17 1.24 1.16 -1.26 -4.89 117.46 108.77 3hje n PHE 262 Ca 0.09 -0.34 -0.27 0.00 -1.87 0.00 0.00 57.45 55.06 3hje n PHE 262 Cb 0.31 -0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.14 3hje n PHE 262 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 3hje s ILE 263 N -1.31 1.78 -0.26 1.97 -4.36 -1.24 -5.03 121.20 112.75 3hje s ILE 263 Ca 0.42 -1.68 0.19 0.00 -0.26 0.00 0.00 60.65 59.32 3hje s ILE 263 Cb 0.24 -2.45 0.14 0.00 1.25 0.00 0.00 42.46 41.63 3hje s ILE 263 CO 0.32 0.00 1.42 0.44 0.24 0.00 0.00 174.94 177.36 3hje h ASP 264 N 1.12 0.00 0.00 4.36 3.32 -1.43 -3.49 116.42 120.30 3hje h ASP 264 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3hje h ASP 264 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3hje h ASP 264 CO 0.66 0.28 0.00 0.61 -1.72 0.00 0.00 179.24 179.07 3hje n GLY 265 N 1.19 0.61 3.77 2.75 0.00 -1.22 -2.71 105.19 109.58 3hje n GLY 265 Ca 0.02 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 3hje n GLY 265 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hje s THR 266 N -3.82 1.52 -2.00 2.61 -4.23 -1.26 -1.30 115.64 107.17 3hje s THR 266 Ca 0.00 -1.86 0.20 0.00 -1.18 0.00 0.00 61.69 58.85 3hje s THR 266 Cb 0.00 -2.38 0.56 0.00 1.34 0.00 0.00 72.50 72.01 3hje s THR 266 CO 0.00 0.00 1.71 0.35 -0.54 0.00 0.00 174.62 176.14 3hje n THR 267 N -1.32 0.00 -0.71 3.99 -2.24 -0.69 -2.04 114.28 111.27 3hje n THR 267 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3hje n THR 267 Cb 0.66 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 3hje n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hje n GLY 268 N 0.73 1.39 0.28 3.38 0.00 -1.26 -4.39 105.19 105.31 3hje n GLY 268 Ca 0.15 -0.30 0.17 0.00 0.00 0.00 0.00 46.02 46.04 3hje n GLY 268 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hje h TYR 269 N 0.00 0.00 0.13 1.61 0.05 -1.87 -2.04 116.97 114.85 3hje h TYR 269 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3hje h TYR 269 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 3hje h TYR 269 CO 0.00 0.02 -0.06 0.38 -1.05 0.00 0.00 178.16 177.45 3hje h ASP 270 N 0.00 -0.15 -0.65 3.88 2.03 -1.91 -1.88 116.42 117.75 3hje h ASP 270 Ca -0.00 -0.13 -0.03 0.00 -0.73 0.00 0.00 57.03 56.14 3hje h ASP 270 Cb 0.49 0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 39.00 3hje h ASP 270 CO 0.00 0.04 0.30 0.15 -1.03 0.00 0.00 179.24 178.71 3hje h PHE 271 N -0.33 0.95 -0.51 4.15 3.57 -1.78 -1.13 116.94 121.85 3hje h PHE 271 Ca -0.02 -0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.53 3hje h PHE 271 Cb 0.27 -0.29 -0.08 0.00 2.79 0.00 0.00 35.95 38.64 3hje h PHE 271 CO -0.02 0.72 0.02 1.25 -2.23 0.00 0.00 178.31 178.05 3hje h LEU 272 N 0.90 -0.18 0.04 0.59 6.46 -1.09 -0.99 115.31 121.04 3hje h LEU 272 Ca 0.22 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 58.10 3hje h LEU 272 Cb 0.13 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 3hje h LEU 272 CO -0.03 -0.06 -0.02 -1.13 -0.62 0.00 0.00 178.44 176.59 3hje h ASN 273 N 0.14 -0.04 -0.34 1.25 -0.00 -1.05 -1.12 115.58 114.41 3hje h ASN 273 Ca 0.26 -0.50 0.03 0.00 -0.00 0.00 0.00 56.30 56.09 3hje h ASN 273 Cb 0.39 0.01 -0.03 0.00 -0.00 0.00 0.00 38.32 38.68 3hje h ASN 273 CO -0.41 0.49 0.15 1.88 -0.00 0.00 0.00 177.43 179.54 3hje h TYR 274 N -0.59 0.27 -0.41 0.67 -1.99 -1.15 -2.07 116.97 111.70 3hje h TYR 274 Ca -0.00 0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.63 3hje h TYR 274 Cb 0.54 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.18 3hje h TYR 274 CO 0.11 0.13 -0.20 0.66 -0.00 0.00 0.00 178.16 178.86 3hje h SER 275 N 0.31 0.82 -0.89 3.88 4.64 -1.24 -3.01 113.55 118.07 3hje h SER 275 Ca 0.15 -0.29 0.09 0.00 -0.47 0.00 0.00 61.79 61.26 3hje h SER 275 Cb 0.09 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 61.89 3hje h SER 275 CO -0.13 1.01 0.58 -1.13 -0.87 0.00 0.00 176.83 176.29 3hje h ASN 276 N 0.71 0.83 0.39 4.97 -1.24 -0.91 -2.35 115.58 117.99 3hje h ASN 276 Ca 0.10 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.13 3hje h ASN 276 Cb 0.72 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.61 3hje h ASN 276 CO 0.06 0.51 0.00 0.18 -1.29 0.00 0.00 177.43 176.88 3hje n LEU 277 N -4.52 0.00 0.07 0.34 4.77 -0.80 -2.71 117.00 114.15 3hje n LEU 277 Ca 0.15 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.55 3hje n LEU 277 Cb 0.27 -0.30 0.26 0.00 -2.33 0.00 0.00 43.42 41.33 3hje n LEU 277 CO 0.32 -0.10 0.55 0.18 -1.33 0.00 0.00 177.39 177.00 3hje n LEU 278 N -1.30 0.72 -0.76 2.23 4.77 -0.88 -1.63 117.00 120.15 3hje n LEU 278 Ca 0.09 0.35 0.09 0.00 -0.03 0.00 0.00 56.01 56.51 3hje n LEU 278 Cb 0.16 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.10 3hje n LEU 278 CO 0.15 -0.09 0.55 0.49 -1.33 0.00 0.00 177.39 177.17 3hje n PHE 279 N -2.13 0.06 -3.13 -1.77 3.72 -1.10 -4.85 117.46 108.26 3hje n PHE 279 Ca 0.04 -0.04 -0.29 0.00 -0.05 0.00 0.00 57.45 57.12 3hje n PHE 279 Cb 0.43 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.94 3hje n PHE 279 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3hje s THR 280 N -1.49 4.94 0.12 4.37 -4.23 -1.26 -4.61 115.64 113.48 3hje s THR 280 Ca 0.23 0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 60.94 3hje s THR 280 Cb 0.16 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 3hje s THR 280 CO 0.23 -0.43 0.07 -0.62 -0.54 0.00 0.00 174.62 173.33 3hje s ASP 281 N -3.26 0.30 -1.29 3.99 2.15 -1.26 -4.99 116.67 112.30 3hje s ASP 281 Ca 0.46 -1.13 -0.03 0.00 0.43 0.00 0.00 52.55 52.28 3hje s ASP 281 Cb -0.10 0.30 -0.00 0.00 -0.30 0.00 0.00 42.92 42.81 3hje s ASP 281 CO 0.32 -0.73 0.65 0.59 -0.17 0.00 0.00 175.17 175.83 3hje n ASN 282 N -0.08 -1.78 -0.12 -0.34 4.13 -1.25 -4.68 115.26 111.13 3hje n ASN 282 Ca -0.07 -0.89 -0.04 0.00 1.68 0.00 0.00 54.58 55.26 3hje n ASN 282 Cb 0.63 -3.76 0.03 0.00 -1.54 0.00 0.00 39.78 35.14 3hje n ASN 282 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 3hje h GLU 283 N -1.83 0.11 0.03 3.52 4.81 -1.94 -1.49 114.58 117.79 3hje h GLU 283 Ca -0.62 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.61 3hje h GLU 283 Cb 1.36 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 3hje h GLU 283 CO 0.56 0.07 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.38 3hje h ASP 284 N 0.12 -0.26 -0.36 1.04 3.32 -1.99 0.23 116.42 118.52 3hje h ASP 284 Ca 0.20 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 3hje h ASP 284 Cb 0.28 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3hje h ASP 284 CO -0.32 -0.14 0.16 0.11 -1.72 0.00 0.00 179.24 177.33 3hje h LYS 285 N -0.17 0.53 -0.51 3.56 1.57 -1.91 -0.43 116.57 119.22 3hje h LYS 285 Ca 0.03 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3hje h LYS 285 Cb 0.20 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3hje h LYS 285 CO -0.07 0.51 0.04 0.52 -0.57 0.00 0.00 179.45 179.88 3hje h MET 286 N 0.44 0.82 -0.59 3.15 2.86 -1.10 -0.88 114.93 119.64 3hje h MET 286 Ca 0.12 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 3hje h MET 286 Cb 0.16 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3hje h MET 286 CO -0.01 0.80 0.17 1.15 1.06 0.00 0.00 176.91 180.07 3hje h THR 287 N 0.78 1.24 -0.41 2.22 2.02 -0.32 -2.38 112.91 116.06 3hje h THR 287 Ca 0.16 -0.85 -0.14 0.00 0.77 0.00 0.00 66.41 66.34 3hje h THR 287 Cb 0.40 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3hje h THR 287 CO 0.01 0.32 -0.31 -0.08 0.37 0.00 0.00 175.52 175.84 3hje h GLU 288 N 0.84 0.92 -0.34 6.66 4.57 -0.73 -1.38 114.58 125.11 3hje h GLU 288 Ca 0.19 -0.44 0.03 0.00 -1.18 0.00 0.00 59.36 57.96 3hje h GLU 288 Cb 0.31 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 3hje h GLU 288 CO -0.00 1.09 0.16 0.82 -1.18 0.00 0.00 179.01 179.90 3hje h ILE 289 N 0.77 0.97 -0.07 2.32 2.04 -1.13 -2.90 117.51 119.51 3hje h ILE 289 Ca 0.08 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 3hje h ILE 289 Cb 0.88 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3hje h ILE 289 CO 0.08 0.06 -0.42 0.22 0.00 0.00 0.00 178.15 178.09 3hje h TYR 290 N 0.33 0.18 -0.89 1.37 3.20 -1.25 -2.89 116.97 117.02 3hje h TYR 290 Ca 0.14 -0.05 0.18 0.00 3.14 0.00 0.00 58.73 62.15 3hje h TYR 290 Cb 0.07 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.23 3hje h TYR 290 CO -0.11 0.55 0.58 -0.22 -1.64 0.00 0.00 178.16 177.33 3hje h LYS 291 N 0.13 0.48 0.00 1.82 3.64 -1.04 -0.12 116.57 121.49 3hje h LYS 291 Ca 0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3hje h LYS 291 Cb 0.80 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3hje h LYS 291 CO 0.06 0.32 -0.21 0.09 -2.27 0.00 0.00 179.45 177.44 3hje n ASN 292 N -4.54 0.38 -0.12 4.20 4.13 -1.09 -3.57 115.26 114.65 3hje n ASN 292 Ca 0.18 0.28 -0.25 0.00 1.68 0.00 0.00 54.58 56.48 3hje n ASN 292 Cb 0.62 -0.29 -0.11 0.00 -1.54 0.00 0.00 39.78 38.46 3hje n ASN 292 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3hje n ILE 293 N -1.73 1.53 -3.46 2.41 5.41 -0.32 -4.96 119.36 118.24 3hje n ILE 293 Ca 0.06 -0.16 -0.04 0.00 1.00 0.00 0.00 62.75 63.60 3hje n ILE 293 Cb 0.37 -1.99 -0.06 0.00 -0.71 0.00 0.00 39.64 37.25 3hje n ILE 293 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3hje s LEU 294 N -7.73 -0.92 -0.41 1.39 2.96 -0.21 -4.56 118.68 109.19 3hje s LEU 294 Ca -0.33 0.90 -0.11 0.00 -0.22 0.00 0.00 54.13 54.37 3hje s LEU 294 Cb 0.09 1.69 0.06 0.00 0.50 0.00 0.00 46.19 48.54 3hje s LEU 294 CO 0.54 -0.25 0.27 -0.62 -1.32 0.00 0.00 176.35 174.96 3hje s ASP 295 N 2.72 5.74 0.05 3.68 2.15 -1.23 -4.42 116.67 125.35 3hje s ASP 295 Ca 0.06 -1.34 -0.01 0.00 0.43 0.00 0.00 52.55 51.70 3hje s ASP 295 Cb -0.14 -2.03 -0.04 0.00 -0.30 0.00 0.00 42.92 40.42 3hje s ASP 295 CO -0.17 -0.51 -0.03 0.27 -0.17 0.00 0.00 175.17 174.56 3hje s ILE 296 N 1.49 0.23 -0.14 4.11 -5.25 -1.26 -5.13 121.20 115.25 3hje s ILE 296 Ca 0.03 -1.68 -0.25 0.00 -0.99 0.00 0.00 60.65 57.76 3hje s ILE 296 Cb -0.22 -1.34 -0.02 0.00 2.95 0.00 0.00 42.46 43.83 3hje s ILE 296 CO 0.04 -0.92 0.80 -0.62 -1.79 0.00 0.00 174.94 172.46 3hje s ASP 297 N -2.71 6.97 0.07 4.36 -1.08 -1.26 -4.98 116.67 118.04 3hje s ASP 297 Ca 0.04 1.18 -0.24 0.00 -0.52 0.00 0.00 52.55 53.01 3hje s ASP 297 Cb 0.05 -2.45 -0.16 0.00 -1.46 0.00 0.00 42.92 38.90 3hje s ASP 297 CO -0.08 -0.33 1.63 0.25 0.52 0.00 0.00 175.17 177.16 3hje h LEU 298 N 7.96 -0.09 -0.58 -1.34 5.85 -2.00 -1.79 115.31 123.31 3hje h LEU 298 Ca -0.32 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.37 3hje h LEU 298 Cb 1.15 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3hje h LEU 298 CO 0.81 0.02 0.31 0.44 -0.34 0.00 0.00 178.44 179.69 3hje h ASP 299 N -0.20 0.46 -0.27 1.25 3.32 -1.99 0.13 116.42 119.13 3hje h ASP 299 Ca -0.01 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3hje h ASP 299 Cb 0.16 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3hje h ASP 299 CO 0.02 0.31 0.17 -0.33 -1.72 0.00 0.00 179.24 177.68 3hje h GLU 300 N 0.59 0.36 -0.35 3.56 5.08 -1.97 -0.37 114.58 121.48 3hje h GLU 300 Ca 0.26 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 3hje h GLU 300 Cb 0.15 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3hje h GLU 300 CO -0.17 0.27 0.08 1.25 -1.00 0.00 0.00 179.01 179.45 3hje h LEU 301 N 0.35 0.05 -0.10 1.33 5.85 -0.86 -1.14 115.31 120.78 3hje h LEU 301 Ca 0.10 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3hje h LEU 301 Cb 0.00 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3hje h LEU 301 CO -0.02 0.06 0.04 0.58 -0.34 0.00 0.00 178.44 178.76 3hje h VAL 302 N 0.21 1.15 -0.47 1.05 2.07 -0.55 -0.98 116.25 118.72 3hje h VAL 302 Ca 0.16 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3hje h VAL 302 Cb 0.17 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3hje h VAL 302 CO -0.20 0.13 0.31 0.11 0.02 0.00 0.00 177.57 177.94 3hje h LYS 303 N 0.00 0.61 -0.28 1.57 1.57 -0.93 -0.99 116.57 118.13 3hje h LYS 303 Ca 0.03 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3hje h LYS 303 Cb 0.17 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hje h LYS 303 CO -0.00 0.40 -0.43 0.93 -0.57 0.00 0.00 179.45 179.78 3hje h GLU 304 N 0.63 0.69 -0.50 3.15 4.39 -1.19 -2.34 114.58 119.41 3hje h GLU 304 Ca 0.17 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 3hje h GLU 304 Cb -0.07 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3hje h GLU 304 CO -0.04 0.99 0.13 1.15 -1.16 0.00 0.00 179.01 180.08 3hje h THR 305 N 0.56 1.24 -0.54 1.13 2.02 -0.93 -0.72 112.91 115.67 3hje h THR 305 Ca 0.04 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 66.41 3hje h THR 305 Cb 0.97 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 3hje h THR 305 CO 0.09 0.30 0.34 0.11 0.37 0.00 0.00 175.52 176.73 3hje h LYS 306 N 0.69 0.66 -0.63 6.66 1.57 -1.09 0.81 116.57 125.23 3hje h LYS 306 Ca 0.16 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3hje h LYS 306 Cb 0.32 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3hje h LYS 306 CO -0.00 0.44 0.29 0.87 -0.57 0.00 0.00 179.45 180.48 3hje h LYS 307 N 0.68 0.92 -0.41 3.15 1.57 -1.19 -1.92 116.57 119.38 3hje h LYS 307 Ca 0.21 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3hje h LYS 307 Cb -0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3hje h LYS 307 CO -0.07 0.75 0.17 -0.22 -0.57 0.00 0.00 179.45 179.51 3hje h LYS 308 N 0.88 0.61 -0.60 3.15 3.64 -0.79 -1.89 116.57 121.57 3hje h LYS 308 Ca 0.22 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 3hje h LYS 308 Cb 0.14 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 3hje h LYS 308 CO -0.02 0.57 0.34 0.82 -2.27 0.00 0.00 179.45 178.88 3hje h ILE 309 N 0.52 0.99 -0.13 2.00 1.08 -0.68 -0.49 117.51 120.80 3hje h ILE 309 Ca 0.14 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 3hje h ILE 309 Cb 0.18 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 3hje h ILE 309 CO -0.01 0.12 0.08 0.40 -0.69 0.00 0.00 178.15 178.04 3hje h ILE 310 N 0.64 1.05 -0.82 -0.67 2.04 -1.15 0.67 117.51 119.27 3hje h ILE 310 Ca 0.26 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 3hje h ILE 310 Cb 0.12 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3hje h ILE 310 CO -0.15 0.05 0.46 0.44 0.00 0.00 0.00 178.15 178.95 3hje h ASP 311 N 0.15 1.01 0.56 1.72 3.32 -1.05 0.01 116.42 122.14 3hje h ASP 311 Ca 0.05 -0.09 -0.28 0.00 0.02 0.00 0.00 57.03 56.72 3hje h ASP 311 Cb 0.01 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 3hje h ASP 311 CO -0.01 0.81 -1.58 0.71 -1.72 0.00 0.00 179.24 177.45 3hje h THR 312 N 1.14 1.01 0.00 0.35 1.35 -0.99 -3.38 112.91 112.39 3hje h THR 312 Ca 0.29 -2.82 -0.13 0.00 -0.55 0.00 0.00 66.41 63.20 3hje h THR 312 Cb 0.01 2.53 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 3hje h THR 312 CO -0.05 0.62 -1.49 0.18 -0.25 0.00 0.00 175.52 174.53 3hje n LEU 313 N -3.16 0.73 -0.29 3.87 4.77 0.22 -4.83 117.00 118.32 3hje n LEU 313 Ca -0.15 -0.01 0.06 0.00 -0.03 0.00 0.00 56.01 55.89 3hje n LEU 313 Cb 1.03 0.05 0.10 0.00 -2.33 0.00 0.00 43.42 42.27 3hje n LEU 313 CO 0.46 0.29 0.44 0.49 -1.33 0.00 0.00 177.39 177.74 3hje n PHE 314 N -2.39 0.00 0.13 -1.77 3.72 -0.56 -4.89 117.46 111.71 3hje n PHE 314 Ca -0.13 -0.70 -0.13 0.00 -0.05 0.00 0.00 57.45 56.44 3hje n PHE 314 Cb 0.72 -0.12 -0.06 0.00 -0.94 0.00 0.00 39.48 39.07 3hje n PHE 314 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hje h LYS 315 N 0.10 -0.35 -0.60 -1.08 3.64 -1.21 -1.28 116.57 115.78 3hje h LYS 315 Ca -0.01 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3hje h LYS 315 Cb 1.16 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 3hje h LYS 315 CO 0.00 -0.23 0.30 1.25 -2.27 0.00 0.00 179.45 178.50 3hje h HIS 316 N -0.37 0.85 -0.81 1.91 2.76 -1.90 0.12 115.15 117.73 3hje h HIS 316 Ca -0.00 -0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.19 3hje h HIS 316 Cb 0.34 -0.27 -0.06 0.00 1.55 0.00 0.00 27.41 28.98 3hje h HIS 316 CO -0.13 0.64 0.49 -0.44 -1.30 0.00 0.00 177.93 177.19 3hje h ASP 317 N 0.82 0.77 0.25 3.26 3.32 -1.83 -2.07 116.42 120.94 3hje h ASP 317 Ca 0.21 0.02 -0.34 0.00 0.02 0.00 0.00 57.03 56.94 3hje h ASP 317 Cb 0.09 -0.14 0.04 0.00 0.22 0.00 0.00 39.33 39.54 3hje h ASP 317 CO -0.03 0.50 -1.51 0.40 -1.72 0.00 0.00 179.24 176.88 3hje h ILE 318 N 0.91 1.24 -0.51 0.35 1.08 -1.07 -3.26 117.51 116.25 3hje h ILE 318 Ca 0.35 -2.67 0.09 0.00 -0.39 0.00 0.00 64.86 62.24 3hje h ILE 318 Cb 0.16 3.02 -0.07 0.00 -3.07 0.00 0.00 36.82 36.85 3hje h ILE 318 CO -0.17 0.81 0.08 -0.33 -0.69 0.00 0.00 178.15 177.85 3hje h GLU 319 N 0.14 0.20 -0.35 2.37 5.08 -0.83 0.68 114.58 121.87 3hje h GLU 319 Ca -0.27 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.16 3hje h GLU 319 Cb 2.16 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 31.29 3hje h GLU 319 CO 0.27 0.13 -0.18 0.00 -1.00 0.00 0.00 179.01 178.23 3hje h ARG 320 N 0.20 -0.12 -0.09 2.33 3.08 -1.47 -0.96 114.38 117.36 3hje h ARG 320 Ca 0.26 0.01 -0.20 0.00 0.07 0.00 0.00 59.98 60.12 3hje h ARG 320 Cb 0.36 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 3hje h ARG 320 CO -0.36 -0.08 -0.76 0.82 -1.07 0.00 0.00 179.97 178.52 3hje h ILE 321 N -0.12 1.35 -0.45 2.04 2.04 -1.50 -2.57 117.51 118.29 3hje h ILE 321 Ca 0.18 -2.12 0.05 0.00 1.00 0.00 0.00 64.86 63.97 3hje h ILE 321 Cb 0.39 2.10 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 3hje h ILE 321 CO -0.43 0.65 0.18 0.28 0.00 0.00 0.00 178.15 178.83 3hje h SER 322 N 0.34 0.21 -0.94 1.72 0.02 -0.60 -0.21 113.55 114.09 3hje h SER 322 Ca -0.04 0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 3hje h SER 322 Cb 1.35 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.84 3hje h SER 322 CO 0.14 0.15 0.59 0.24 -1.14 0.00 0.00 176.83 176.81 3hje h MET 323 N 0.36 1.00 -0.62 3.45 2.86 -1.08 -1.64 114.93 119.27 3hje h MET 323 Ca 0.21 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 3hje h MET 323 Cb 0.18 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3hje h MET 323 CO -0.20 0.66 0.05 0.52 1.06 0.00 0.00 176.91 179.01 3hje h MET 324 N 1.03 1.04 0.00 1.72 2.07 -0.83 -2.96 114.93 117.00 3hje h MET 324 Ca 0.43 -0.30 0.00 0.00 -2.07 0.00 0.00 59.70 57.76 3hje h MET 324 Cb 0.26 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 29.88 3hje h MET 324 CO -0.20 0.99 0.00 1.28 1.07 0.00 0.00 176.91 180.04 3hje n LEU 325 N -4.20 0.81 -1.12 1.22 4.77 -0.20 -4.92 117.00 113.36 3hje n LEU 325 Ca 0.04 0.59 -0.11 0.00 -0.03 0.00 0.00 56.01 56.50 3hje n LEU 325 Cb 0.31 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 3hje n LEU 325 CO 0.43 -0.25 -0.13 0.61 -1.33 0.00 0.00 177.39 176.72 3hje n GLY 326 N 1.09 0.27 3.28 -0.72 0.00 -0.66 -4.81 105.19 103.65 3hje n GLY 326 Ca 0.05 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 3hje n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hje s VAL 327 N -2.50 1.97 0.51 1.61 1.01 -1.00 -5.06 120.40 116.95 3hje s VAL 327 Ca 0.00 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 3hje s VAL 327 Cb 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 3hje s VAL 327 CO 0.00 0.56 1.15 0.54 0.00 0.00 0.00 175.10 177.35 3hje s ASN 328 N -0.46 5.86 0.25 3.32 2.20 -1.26 -4.18 114.94 120.66 3hje s ASN 328 Ca 0.06 2.26 -0.05 0.00 -0.94 0.00 0.00 52.86 54.18 3hje s ASN 328 Cb -0.11 -2.59 0.47 0.00 -2.00 0.00 0.00 41.25 37.02 3hje s ASN 328 CO 0.00 -1.13 1.66 0.22 -2.94 0.00 0.00 177.10 174.92 3hje h TYR 329 N 1.53 0.17 -0.51 1.54 3.20 -1.91 -1.27 116.97 119.71 3hje h TYR 329 Ca -0.50 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 3hje h TYR 329 Cb 1.26 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.55 3hje h TYR 329 CO 0.52 -0.15 0.28 0.93 -1.64 0.00 0.00 178.16 178.09 3hje h GLU 330 N 0.20 0.70 -0.13 1.82 4.39 -1.99 0.79 114.58 120.37 3hje h GLU 330 Ca 0.42 -0.07 -0.21 0.00 0.34 0.00 0.00 59.36 59.85 3hje h GLU 330 Cb 0.74 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3hje h GLU 330 CO -0.57 0.52 -0.75 0.93 -1.16 0.00 0.00 179.01 177.98 3hje h GLU 331 N 0.71 0.64 -0.32 2.33 5.08 -1.62 -2.00 114.58 119.39 3hje h GLU 331 Ca 0.18 -0.52 -0.12 0.00 -1.00 0.00 0.00 59.36 57.90 3hje h GLU 331 Cb 0.02 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3hje h GLU 331 CO -0.03 1.14 -0.29 0.82 -1.00 0.00 0.00 179.01 179.65 3hje h ILE 332 N 0.44 1.29 -0.90 3.13 1.08 -1.00 -0.61 117.51 120.94 3hje h ILE 332 Ca -0.04 -1.45 0.06 0.00 -0.39 0.00 0.00 64.86 63.05 3hje h ILE 332 Cb 1.35 1.50 -0.06 0.00 -3.07 0.00 0.00 36.82 36.54 3hje h ILE 332 CO 0.14 0.47 0.57 0.50 -0.69 0.00 0.00 178.15 179.14 3hje h LYS 333 N 0.53 1.00 -0.21 2.37 3.64 -0.89 0.50 116.57 123.51 3hje h LYS 333 Ca 0.06 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3hje h LYS 333 Cb 0.86 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3hje h LYS 333 CO 0.07 0.66 -0.05 1.49 -2.27 0.00 0.00 179.45 179.35 3hje h GLU 334 N 1.03 0.41 -0.38 1.90 4.81 -1.22 -2.32 114.58 118.81 3hje h GLU 334 Ca 0.39 -0.16 0.07 0.00 -0.13 0.00 0.00 59.36 59.54 3hje h GLU 334 Cb 0.18 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 3hje h GLU 334 CO -0.18 0.66 -0.02 0.35 -0.73 0.00 0.00 179.01 179.09 3hje h PHE 335 N 0.14 -0.06 -0.69 0.92 3.57 -0.75 -2.20 116.94 117.87 3hje h PHE 335 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3hje h PHE 335 Cb 0.51 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 3hje h PHE 335 CO 0.05 -0.10 0.44 -0.07 -2.23 0.00 0.00 178.31 176.41 3hje h LEU 336 N 0.08 0.80 -0.08 0.59 3.38 -0.85 -1.52 115.31 117.72 3hje h LEU 336 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hje h LEU 336 Cb 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hje h LEU 336 CO -0.33 0.59 0.00 -1.54 0.09 0.00 0.00 178.44 177.25 3hje n SER 337 N -4.42 0.15 0.04 -0.43 3.41 -0.88 -2.94 113.62 108.54 3hje n SER 337 Ca 0.07 0.52 -0.02 0.00 -0.26 0.00 0.00 58.87 59.18 3hje n SER 337 Cb 0.05 -0.56 -0.08 0.00 -0.26 0.00 0.00 64.21 63.35 3hje n SER 337 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hje s LEU 339 N -6.03 4.34 0.00 0.00 1.43 -1.15 -4.92 118.68 112.35 3hje s LEU 339 Ca -0.02 2.96 0.13 0.00 -1.03 0.00 0.00 54.13 56.17 3hje s LEU 339 Cb 0.08 -3.65 0.27 0.00 0.03 0.00 0.00 46.19 42.92 3hje s LEU 339 CO 0.81 -0.84 1.16 0.29 0.23 0.00 0.00 176.35 178.00 3hje n LYS 340 N 1.10 2.12 -4.37 1.70 4.76 -1.26 -4.97 118.16 117.23 3hje n LYS 340 Ca 0.03 -1.83 -0.19 0.00 -2.87 0.00 0.00 58.31 53.44 3hje n LYS 340 Cb 0.39 -1.29 -0.10 0.00 -1.84 0.00 0.00 35.03 32.19 3hje n LYS 340 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3hje s VAL 341 N -1.03 1.82 0.33 -0.18 -7.23 -1.26 -4.87 120.40 107.97 3hje s VAL 341 Ca 0.23 -2.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 3hje s VAL 341 Cb 0.13 -2.12 0.28 0.00 0.56 0.00 0.00 36.38 35.23 3hje s VAL 341 CO 0.18 -0.54 1.96 1.88 -0.31 0.00 0.00 175.10 178.26 3hje h TYR 342 N 2.49 0.91 -1.57 2.82 -1.99 -1.90 -3.46 116.97 114.27 3hje h TYR 342 Ca -0.38 0.02 0.26 0.00 2.00 0.00 0.00 58.73 60.63 3hje h TYR 342 Cb 1.23 -0.30 -0.16 0.00 2.00 0.00 0.00 36.73 39.50 3hje h TYR 342 CO 0.73 0.52 0.78 -0.98 -0.00 0.00 0.00 178.16 179.20 3hje s ARG 343 N -5.81 0.42 0.38 4.88 1.70 -1.26 -1.45 118.95 117.82 3hje s ARG 343 Ca -0.11 -0.19 0.07 0.00 -0.47 0.00 0.00 55.73 55.04 3hje s ARG 343 Cb 0.19 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 3hje s ARG 343 CO 0.78 -0.19 0.51 0.95 -1.08 0.00 0.00 175.30 176.28 3hje s THR 344 N -2.52 3.42 -0.41 4.99 -4.23 -1.26 -5.07 115.64 110.57 3hje s THR 344 Ca 0.11 -1.02 0.11 0.00 -1.18 0.00 0.00 61.69 59.71 3hje s THR 344 Cb 0.01 -3.17 0.40 0.00 1.34 0.00 0.00 72.50 71.09 3hje s THR 344 CO -0.04 -0.07 0.94 -1.22 -0.54 0.00 0.00 174.62 173.69 3hje n TYR 345 N -1.74 2.00 -1.94 3.99 4.01 -1.26 -4.92 117.16 117.29 3hje n TYR 345 Ca 0.04 -3.32 -0.41 0.00 -0.16 0.00 0.00 57.90 54.06 3hje n TYR 345 Cb 0.59 -0.33 -0.01 0.00 -0.31 0.00 0.00 39.34 39.27 3hje n TYR 345 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hje s ILE 346 N -3.81 2.38 0.39 -0.72 -1.09 -1.26 -4.86 121.20 112.25 3hje s ILE 346 Ca 0.39 0.37 0.04 0.00 -2.23 0.00 0.00 60.65 59.22 3hje s ILE 346 Cb 0.39 -3.23 -0.03 0.00 -1.58 0.00 0.00 42.46 38.01 3hje s ILE 346 CO -0.08 0.08 0.14 0.42 -1.23 0.00 0.00 174.94 174.27 3hje s THR 347 N -0.80 0.56 -1.44 2.92 -4.23 -0.87 -4.85 115.64 106.93 3hje s THR 347 Ca 0.54 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.16 3hje s THR 347 Cb -0.44 -2.38 0.19 0.00 1.34 0.00 0.00 72.50 71.22 3hje s THR 347 CO 0.54 0.00 1.25 -1.84 -0.54 0.00 0.00 174.62 174.03 3hje n GLU 348 N -0.87 0.16 -1.02 3.99 0.00 -1.26 -2.67 120.64 118.97 3hje n GLU 348 Ca -0.05 0.18 0.02 0.00 0.00 0.00 0.00 57.16 57.31 3hje n GLU 348 Cb 0.65 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.60 3hje n GLU 348 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3hje n ASN 349 N -1.28 0.46 -3.45 -1.84 6.94 -1.26 -5.04 115.26 109.79 3hje n ASN 349 Ca 0.05 -1.97 -0.18 0.00 -0.02 0.00 0.00 54.58 52.46 3hje n ASN 349 Cb 0.09 -0.23 -0.11 0.00 -2.36 0.00 0.00 39.78 37.17 3hje n ASN 349 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3hje s ASP 350 N -1.47 1.63 -0.22 0.53 -1.08 -1.09 -5.02 116.67 109.96 3hje s ASP 350 Ca 0.17 -0.53 0.13 0.00 -0.52 0.00 0.00 52.55 51.81 3hje s ASP 350 Cb 0.20 0.42 0.46 0.00 -1.46 0.00 0.00 42.92 42.53 3hje s ASP 350 CO -0.09 -0.36 1.36 0.49 0.52 0.00 0.00 175.17 177.09 3hje n PHE 351 N 5.31 0.70 -0.23 -5.34 3.72 -1.26 -2.05 117.46 118.31 3hje n PHE 351 Ca -0.04 -1.27 0.16 0.00 -0.05 0.00 0.00 57.45 56.25 3hje n PHE 351 Cb 0.47 -0.35 0.47 0.00 -0.94 0.00 0.00 39.48 39.14 3hje n PHE 351 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hje h ARG 352 N 1.04 0.47 -0.09 -1.08 3.08 -1.95 -1.79 114.38 114.06 3hje h ARG 352 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3hje h ARG 352 Cb 1.39 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3hje h ARG 352 CO 0.22 0.31 0.00 -0.25 -1.07 0.00 0.00 179.97 179.18 3hje n ASP 353 N -4.52 0.72 0.24 7.04 8.00 -1.26 -4.30 116.55 122.46 3hje n ASP 353 Ca 0.18 -1.66 0.09 0.00 0.71 0.00 0.00 54.79 54.11 3hje n ASP 353 Cb 0.60 -0.06 0.59 0.00 -0.02 0.00 0.00 41.12 42.23 3hje n ASP 353 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3hje h GLU 354 N 0.91 0.00 0.04 -1.24 4.11 -1.70 -2.39 114.58 114.30 3hje h GLU 354 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.21 3hje h GLU 354 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3hje h GLU 354 CO 0.00 0.19 -1.02 0.93 0.07 0.00 0.00 179.01 179.18 3hje h GLU 355 N 0.00 0.17 -0.39 1.06 4.39 -1.83 0.14 114.58 118.12 3hje h GLU 355 Ca -0.00 -0.24 0.04 0.00 0.34 0.00 0.00 59.36 59.49 3hje h GLU 355 Cb 0.44 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 3hje h GLU 355 CO 0.03 1.05 0.17 0.82 -1.16 0.00 0.00 179.01 179.91 3hje h ILE 356 N 0.07 0.93 0.17 3.13 2.04 -1.75 0.44 117.51 122.54 3hje h ILE 356 Ca -0.06 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3hje h ILE 356 Cb 1.71 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3hje h ILE 356 CO 0.15 0.06 -0.08 0.40 0.00 0.00 0.00 178.15 178.69 3hje h ILE 357 N 0.35 0.93 -0.79 -0.67 2.04 -1.38 -3.16 117.51 114.82 3hje h ILE 357 Ca 0.17 -0.42 0.07 0.00 1.00 0.00 0.00 64.86 65.68 3hje h ILE 357 Cb 0.12 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 3hje h ILE 357 CO -0.15 0.10 0.46 -0.09 0.00 0.00 0.00 178.15 178.47 3hje h ARG 358 N -0.43 0.80 -0.23 2.37 2.43 -0.63 -0.75 114.38 117.94 3hje h ARG 358 Ca -0.02 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3hje h ARG 358 Cb 0.33 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3hje h ARG 358 CO 0.04 0.53 0.18 -0.91 -1.51 0.00 0.00 179.97 178.30 3hje h ASN 359 N 0.82 0.00 0.15 -3.80 2.35 -0.89 -2.35 115.58 111.86 3hje h ASN 359 Ca 0.36 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.76 3hje h ASN 359 Cb 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 3hje h ASN 359 CO -0.20 0.00 -1.86 0.00 -1.65 0.00 0.00 177.43 173.72 3hje s SER 361 N -7.16 -1.09 0.16 0.00 0.15 -0.36 -4.91 113.70 100.49 3hje s SER 361 Ca -0.19 1.55 -0.16 0.00 0.70 0.00 0.00 55.95 57.85 3hje s SER 361 Cb 0.06 2.09 0.03 0.00 -1.71 0.00 0.00 66.02 66.48 3hje s SER 361 CO 0.81 -0.22 1.82 -0.61 1.20 0.00 0.00 173.24 176.23 3hje h GLN 362 N 7.76 0.55 -0.76 5.44 5.75 -1.82 -2.18 115.11 129.85 3hje h GLN 362 Ca -0.21 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.21 3hje h GLN 362 Cb 1.13 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.52 3hje h GLN 362 CO 0.11 0.36 0.27 0.87 -2.65 0.00 0.00 178.83 177.80 3hje h LYS 363 N 0.56 1.15 -0.30 1.69 1.79 -1.96 -1.52 116.57 117.98 3hje h LYS 363 Ca 0.16 -0.22 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 3hje h LYS 363 Cb -0.05 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.41 3hje h LYS 363 CO -0.04 0.95 -0.01 0.28 -1.08 0.00 0.00 179.45 179.55 3hje h VAL 364 N 1.11 1.26 -0.43 0.50 2.07 -1.90 -0.82 116.25 118.05 3hje h VAL 364 Ca 0.25 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.87 3hje h VAL 364 Cb 0.26 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 3hje h VAL 364 CO -0.01 0.31 0.02 0.22 0.02 0.00 0.00 177.57 178.13 3hje h TYR 365 N 0.33 0.01 -0.87 1.57 3.20 -1.27 0.47 116.97 120.42 3hje h TYR 365 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3hje h TYR 365 Cb 0.46 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 3hje h TYR 365 CO 0.04 -0.07 0.55 0.93 -1.64 0.00 0.00 178.16 177.98 3hje h GLU 366 N 0.13 1.16 -0.29 1.82 5.08 -1.05 -2.24 114.58 119.18 3hje h GLU 366 Ca 0.21 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3hje h GLU 366 Cb 0.30 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3hje h GLU 366 CO -0.34 0.79 -0.24 0.66 -1.00 0.00 0.00 179.01 178.88 3hje h SER 367 N 1.18 0.57 -0.34 1.42 4.64 -0.59 -2.76 113.55 117.68 3hje h SER 367 Ca 0.32 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3hje h SER 367 Cb -0.10 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 3hje h SER 367 CO -0.06 0.80 0.21 -0.03 -0.87 0.00 0.00 176.83 176.87 3hje h MET 368 N 0.50 0.46 -0.23 4.77 1.85 -0.56 0.09 114.93 121.81 3hje h MET 368 Ca 0.07 -0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 59.09 3hje h MET 368 Cb 0.69 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.61 3hje h MET 368 CO 0.05 0.34 0.01 0.87 -0.40 0.00 0.00 176.91 177.78 3hje h LYS 369 N 0.44 0.34 0.00 0.39 1.79 -1.24 -2.05 116.57 116.23 3hje h LYS 369 Ca 0.12 -0.05 -0.23 0.00 -2.18 0.00 0.00 60.65 58.31 3hje h LYS 369 Cb 0.00 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 3hje h LYS 369 CO -0.02 0.36 -1.15 0.87 -1.08 0.00 0.00 179.45 178.43 3hje h LYS 370 N 0.33 0.01 -2.31 3.15 1.57 -1.27 -3.40 116.57 114.64 3hje h LYS 370 Ca 0.08 -0.02 -0.59 0.00 -1.87 0.00 0.00 60.65 58.26 3hje h LYS 370 Cb 0.21 0.01 -0.38 0.00 0.08 0.00 0.00 32.23 32.15 3hje h LYS 370 CO 0.00 0.91 -0.99 -1.71 -0.57 0.00 0.00 179.45 177.09 3hje n ASN 371 N -3.30 -0.30 -0.23 0.86 2.85 0.00 -4.99 115.26 110.14 3hje n ASN 371 Ca -0.04 -2.44 -0.08 0.00 -0.11 0.00 0.00 54.58 51.91 3hje n ASN 371 Cb 0.96 -0.57 0.04 0.00 1.24 0.00 0.00 39.78 41.45 3hje n ASN 371 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 3hje h VAL 372 N 4.19 1.25 -0.36 3.44 -1.51 -1.61 -2.38 116.25 119.26 3hje h VAL 372 Ca 0.23 -0.91 -0.00 0.00 -1.23 0.00 0.00 66.70 64.79 3hje h VAL 372 Cb 0.90 0.60 -0.02 0.00 -2.13 0.00 0.00 31.29 30.65 3hje h VAL 372 CO 0.39 0.35 0.21 0.74 -1.23 0.00 0.00 177.57 178.03 3hje h THR 373 N 0.96 1.13 -0.79 7.19 2.02 -1.94 0.13 112.91 121.61 3hje h THR 373 Ca 0.21 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 67.10 3hje h THR 373 Cb 0.34 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 3hje h THR 373 CO -0.00 0.13 0.49 0.00 0.37 0.00 0.00 175.52 176.52 3hje h ALA 374 N 1.08 1.05 -0.33 6.16 0.00 -1.92 -1.74 119.26 123.57 3hje h ALA 374 Ca 0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3hje h ALA 374 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hje h ALA 374 CO -0.02 0.28 -0.26 0.35 0.00 0.00 0.00 179.25 179.59 3hje h PHE 375 N 0.94 0.76 -0.30 0.00 3.57 -0.90 -2.09 116.94 118.93 3hje h PHE 375 Ca 0.33 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3hje h PHE 375 Cb 0.07 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3hje h PHE 375 CO -0.04 0.86 0.08 0.52 -2.23 0.00 0.00 178.31 177.50 3hje h MET 376 N 0.58 0.42 -0.35 1.11 2.86 -0.56 -1.31 114.93 117.68 3hje h MET 376 Ca 0.08 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3hje h MET 376 Cb 0.75 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3hje h MET 376 CO 0.06 0.39 0.11 0.87 1.06 0.00 0.00 176.91 179.40 3hje h LYS 377 N 0.42 0.55 -0.95 1.72 1.57 -0.88 -2.99 116.57 116.00 3hje h LYS 377 Ca 0.10 -0.12 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 3hje h LYS 377 Cb 0.16 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.31 3hje h LYS 377 CO -0.00 0.56 0.60 1.25 -0.57 0.00 0.00 179.45 181.29 3hje h LEU 378 N 0.42 0.83 -1.98 2.94 5.85 -0.64 -1.84 115.31 120.89 3hje h LEU 378 Ca 0.11 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.93 3hje h LEU 378 Cb 0.24 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3hje h LEU 378 CO -0.00 0.45 0.16 1.56 -0.34 0.00 0.00 178.44 180.26 3hje h GLN 379 N 0.89 0.03 0.00 1.25 4.20 -1.12 -1.63 115.11 118.73 3hje h GLN 379 Ca 0.46 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.17 3hje h GLN 379 Cb 0.53 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 3hje h GLN 379 CO -0.23 0.02 -0.03 1.96 -0.67 0.00 0.00 178.83 179.88 3hje h GLN 380 N 0.03 0.00 0.00 1.46 4.20 -1.37 -3.00 115.11 116.43 3hje h GLN 380 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3hje h GLN 380 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3hje h GLN 380 CO -0.00 0.03 -1.62 0.66 -0.67 0.00 0.00 178.83 177.23 3hje n TYR 381 N -3.15 0.16 -0.22 2.96 4.01 -0.64 -4.44 117.16 115.85 3hje n TYR 381 Ca 0.00 0.05 0.02 0.00 -0.16 0.00 0.00 57.90 57.81 3hje n TYR 381 Cb 0.31 -0.48 0.13 0.00 -0.31 0.00 0.00 39.34 38.99 3hje n TYR 381 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 3hje h MET 382 N 0.00 0.32 -0.06 -0.72 2.86 -1.35 -1.35 114.93 114.63 3hje h MET 382 Ca 0.00 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 3hje h MET 382 Cb 0.90 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3hje h MET 382 CO 0.00 0.21 -0.33 -1.00 1.06 0.00 0.00 176.91 176.85 3hje h PRO 383 N 0.33 0.12 -0.58 -0.22 0.13 -1.42 -2.37 132.00 127.99 3hje h PRO 383 Ca 0.34 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.37 3hje h PRO 383 Cb 0.50 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 3hje h PRO 383 CO -0.39 0.44 0.14 0.00 -0.23 0.00 0.00 178.00 177.96 3hje h ALA 384 N 1.56 0.76 0.39 -0.56 0.00 -1.53 0.11 119.26 119.98 3hje h ALA 384 Ca 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3hje h ALA 384 Cb 0.64 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hje h ALA 384 CO 0.05 0.47 -0.19 0.28 0.00 0.00 0.00 179.25 179.86 3hje h VAL 385 N 0.84 0.62 -0.06 0.00 2.07 -1.13 -0.71 116.25 117.88 3hje h VAL 385 Ca 0.18 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.67 3hje h VAL 385 Cb 0.35 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3hje h VAL 385 CO 0.00 0.01 -0.05 0.15 0.02 0.00 0.00 177.57 177.70 3hje h PHE 386 N -0.54 -0.11 -0.18 1.57 3.04 -1.29 -0.86 116.94 118.56 3hje h PHE 386 Ca -0.05 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 3hje h PHE 386 Cb 0.41 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 3hje h PHE 386 CO -0.04 -0.08 0.04 0.00 -2.02 0.00 0.00 178.31 176.21 3hje h ALA 387 N 0.99 0.24 -0.32 2.41 0.00 -0.78 0.15 119.26 121.95 3hje h ALA 387 Ca 0.04 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3hje h ALA 387 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hje h ALA 387 CO -0.09 -0.12 -0.34 0.87 0.00 0.00 0.00 179.25 179.57 3hje h LYS 388 N 0.10 0.71 0.02 0.00 1.79 -1.07 -1.14 116.57 116.99 3hje h LYS 388 Ca 0.06 -0.34 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 3hje h LYS 388 Cb 0.26 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 3hje h LYS 388 CO 0.00 0.95 -0.15 0.00 -1.08 0.00 0.00 179.45 179.17 3hje h ALA 389 N 1.02 -0.01 0.00 3.86 0.00 -1.15 -3.18 119.26 119.81 3hje h ALA 389 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hje h ALA 389 Cb 0.86 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hje h ALA 389 CO 0.07 0.07 -0.05 -0.92 0.00 0.00 0.00 179.25 178.42 3hje h TYR 390 N -0.90 0.00 -0.77 0.00 3.20 -0.79 -0.87 116.97 116.85 3hje h TYR 390 Ca -0.03 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.87 3hje h TYR 390 Cb 1.10 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.33 3hje h TYR 390 CO 0.26 0.00 0.49 0.93 -1.64 0.00 0.00 178.16 178.21 3hje h GLU 391 N -0.53 0.95 -0.40 1.82 5.08 -1.43 -1.43 114.58 118.63 3hje h GLU 391 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3hje h GLU 391 Cb 0.05 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3hje h GLU 391 CO 0.00 0.63 0.00 -0.25 -1.00 0.00 0.00 179.01 178.39 3hje n ASP 392 N -4.60 3.26 0.07 1.42 8.00 -0.49 -4.33 116.55 119.88 3hje n ASP 392 Ca 0.08 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.65 3hje n ASP 392 Cb 0.06 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3hje n ASP 392 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3hje n THR 393 N 1.20 0.10 -0.30 -3.53 -1.04 -1.17 -4.49 114.28 105.05 3hje n THR 393 Ca 0.17 0.03 0.05 0.00 -2.04 0.00 0.00 64.05 62.26 3hje n THR 393 Cb 0.53 -0.42 0.19 0.00 -1.82 0.00 0.00 70.33 68.81 3hje n THR 393 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3hje h VAL 394 N 0.00 0.87 0.00 12.58 2.07 -0.88 0.14 116.25 131.04 3hje h VAL 394 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3hje h VAL 394 Cb 0.00 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 3hje h VAL 394 CO 0.00 0.14 0.00 0.18 0.02 0.00 0.00 177.57 177.91 3hje n LEU 395 N -4.75 0.51 -0.82 2.57 4.77 -0.56 -1.33 117.00 117.39 3hje n LEU 395 Ca 0.15 0.69 0.09 0.00 -0.03 0.00 0.00 56.01 56.91 3hje n LEU 395 Cb 0.33 -0.69 0.15 0.00 -2.33 0.00 0.00 43.42 40.87 3hje n LEU 395 CO 0.26 -0.73 0.60 0.49 -1.33 0.00 0.00 177.39 176.68 3hje n PHE 396 N -2.13 0.33 -0.05 -1.77 3.72 0.03 -4.67 117.46 112.91 3hje n PHE 396 Ca 0.00 -0.23 -0.10 0.00 -0.05 0.00 0.00 57.45 57.07 3hje n PHE 396 Cb 0.11 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 3hje n PHE 396 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hje n ILE 397 N 1.01 0.62 -2.51 4.37 5.41 -0.44 -4.69 119.36 123.14 3hje n ILE 397 Ca 0.14 -0.11 -0.40 0.00 1.00 0.00 0.00 62.75 63.38 3hje n ILE 397 Cb 0.47 -1.66 -0.03 0.00 -0.71 0.00 0.00 39.64 37.71 3hje n ILE 397 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 3hje s TYR 398 N -2.20 2.39 -0.32 1.39 5.04 -0.97 -4.88 117.35 117.81 3hje s TYR 398 Ca -0.14 -0.50 0.10 0.00 -2.44 0.00 0.00 57.07 54.09 3hje s TYR 398 Cb 0.05 -4.62 0.76 0.00 0.35 0.00 0.00 41.96 38.51 3hje s TYR 398 CO 0.18 -1.97 1.82 0.09 -1.34 0.00 0.00 175.55 174.33 3hje n ASN 399 N 9.47 4.98 -0.10 4.32 3.02 -1.26 -4.65 115.26 131.04 3hje n ASN 399 Ca 0.26 -3.20 -0.07 0.00 -0.03 0.00 0.00 54.58 51.54 3hje n ASN 399 Cb 0.50 -0.75 -0.01 0.00 -0.61 0.00 0.00 39.78 38.92 3hje n ASN 399 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3hje h ARG 400 N 2.83 -0.20 -1.48 3.52 2.43 -1.93 -3.39 114.38 116.15 3hje h ARG 400 Ca 0.25 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.33 3hje h ARG 400 Cb 2.34 0.05 -0.26 0.00 -0.42 0.00 0.00 29.97 31.68 3hje h ARG 400 CO 0.74 -0.13 -0.47 -1.17 -1.51 0.00 0.00 179.97 177.43 3hje s LEU 401 N -10.59 -1.05 0.00 3.80 2.96 -1.26 -4.92 118.68 107.62 3hje s LEU 401 Ca -0.15 -0.07 0.23 0.00 -0.22 0.00 0.00 54.13 53.93 3hje s LEU 401 Cb 0.14 1.44 1.10 0.00 0.50 0.00 0.00 46.19 49.37 3hje s LEU 401 CO 0.69 -0.33 1.76 2.30 -1.32 0.00 0.00 176.35 179.45 3hje n ILE 402 N 5.38 0.33 0.29 6.68 -5.35 -1.26 -1.65 119.36 123.78 3hje n ILE 402 Ca 0.01 0.08 0.17 0.00 -0.27 0.00 0.00 62.75 62.74 3hje n ILE 402 Cb 0.51 -0.69 0.95 0.00 -1.74 0.00 0.00 39.64 38.67 3hje n ILE 402 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3hje h SER 403 N 0.00 0.00 0.13 7.28 4.64 -1.91 -0.81 113.55 122.88 3hje h SER 403 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hje h SER 403 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3hje h SER 403 CO 0.00 0.00 -0.10 0.18 -0.87 0.00 0.00 176.83 176.04 3hje n LEU 404 N -3.67 1.07 -4.05 5.97 4.77 -0.66 -4.63 117.00 115.79 3hje n LEU 404 Ca -0.02 -0.30 -0.43 0.00 -0.03 0.00 0.00 56.01 55.22 3hje n LEU 404 Cb 0.14 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3hje n LEU 404 CO 0.26 0.19 1.31 0.59 -1.33 0.00 0.00 177.39 178.40 3hje n ASN 405 N -0.36 5.87 -4.19 -1.43 4.13 -0.31 -4.80 115.26 114.17 3hje n ASN 405 Ca 0.16 -3.25 -0.15 0.00 1.68 0.00 0.00 54.58 53.02 3hje n ASN 405 Cb 0.32 -1.36 -0.11 0.00 -1.54 0.00 0.00 39.78 37.09 3hje n ASN 405 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3hje s GLU 406 N -1.46 0.90 0.17 3.52 2.56 -1.26 -4.76 118.70 118.36 3hje s GLU 406 Ca 0.34 -1.19 -0.33 0.00 0.00 0.00 0.00 54.97 53.78 3hje s GLU 406 Cb 0.03 -0.61 -0.13 0.00 2.00 0.00 0.00 34.13 35.42 3hje s GLU 406 CO 0.05 0.10 1.64 0.28 -0.56 0.00 0.00 175.26 176.77 3hje n VAL 407 N 0.50 0.03 -0.27 3.70 0.31 -1.26 -1.51 118.33 119.83 3hje n VAL 407 Ca -0.15 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3hje n VAL 407 Cb 0.58 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 3hje n VAL 407 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hje n GLY 408 N 3.65 0.82 3.82 2.92 0.00 -1.26 -4.87 105.19 110.28 3hje n GLY 408 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3hje n GLY 408 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hje s SER 409 N -2.93 7.00 -0.30 1.61 0.15 -0.57 -4.86 113.70 113.80 3hje s SER 409 Ca 0.00 1.27 -0.03 0.00 0.70 0.00 0.00 55.95 57.88 3hje s SER 409 Cb 0.00 -2.36 0.04 0.00 -1.71 0.00 0.00 66.02 61.99 3hje s SER 409 CO 0.00 0.14 0.03 -0.62 1.20 0.00 0.00 173.24 173.99 3hje s ASP 410 N -1.49 4.96 0.00 5.45 -1.08 -1.26 -4.91 116.67 118.33 3hje s ASP 410 Ca 0.37 -1.13 0.12 0.00 -0.52 0.00 0.00 52.55 51.38 3hje s ASP 410 Cb -0.17 -1.76 0.65 0.00 -1.46 0.00 0.00 42.92 40.17 3hje s ASP 410 CO 0.20 -0.26 1.22 0.18 0.52 0.00 0.00 175.17 177.04 3hje n LEU 411 N 4.70 0.00 0.21 -1.34 4.77 -1.26 -0.80 117.00 123.29 3hje n LEU 411 Ca -0.14 0.16 0.07 0.00 -0.03 0.00 0.00 56.01 56.07 3hje n LEU 411 Cb 0.45 -0.16 0.47 0.00 -2.33 0.00 0.00 43.42 41.85 3hje n LEU 411 CO 0.28 -0.10 0.79 0.45 -1.33 0.00 0.00 177.39 177.49 3hje h HIS 412 N 0.00 0.00 -3.55 -1.77 3.86 -1.99 -3.42 115.15 108.27 3hje h HIS 412 Ca 0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 3hje h HIS 412 Cb 0.06 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.41 3hje h HIS 412 CO 0.00 0.29 -0.16 0.71 0.86 0.00 0.00 177.93 179.63 3hje s TYR 413 N -3.99 3.33 -0.20 2.45 2.02 0.02 -4.92 117.35 116.05 3hje s TYR 413 Ca -0.02 0.59 0.03 0.00 -0.37 0.00 0.00 57.07 57.30 3hje s TYR 413 Cb 0.13 -2.59 -0.14 0.00 -0.40 0.00 0.00 41.96 38.96 3hje s TYR 413 CO 0.67 -0.12 -0.15 0.98 -1.57 0.00 0.00 175.55 175.36 3hje n TYR 414 N 4.89 0.00 -3.78 2.71 9.36 -1.26 -4.88 117.16 124.20 3hje n TYR 414 Ca -0.07 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.05 3hje n TYR 414 Cb 0.51 -0.79 -0.06 0.00 -0.63 0.00 0.00 39.34 38.37 3hje n TYR 414 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3hje s SER 415 N -5.86 -0.03 0.11 2.98 1.04 -1.26 -4.75 113.70 105.93 3hje s SER 415 Ca -0.25 -0.54 0.04 0.00 0.48 0.00 0.00 55.95 55.67 3hje s SER 415 Cb 0.07 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 3hje s SER 415 CO 0.49 -0.80 -0.11 0.27 0.98 0.00 0.00 173.24 174.08 3hje s ILE 416 N -3.85 1.03 0.69 -1.02 -4.36 -0.65 -5.02 121.20 108.03 3hje s ILE 416 Ca 0.05 -1.72 -0.11 0.00 -0.26 0.00 0.00 60.65 58.62 3hje s ILE 416 Cb 0.03 -1.46 0.01 0.00 1.25 0.00 0.00 42.46 42.29 3hje s ILE 416 CO -0.10 -0.57 1.06 -0.94 0.24 0.00 0.00 174.94 174.63 3hje s SER 417 N -2.56 5.35 0.30 4.36 1.04 -1.26 -4.51 113.70 116.43 3hje s SER 417 Ca 0.08 1.66 0.01 0.00 0.48 0.00 0.00 55.95 58.17 3hje s SER 417 Cb -0.02 -2.50 0.54 0.00 0.10 0.00 0.00 66.02 64.14 3hje s SER 417 CO 0.01 -1.46 1.90 0.00 0.98 0.00 0.00 173.24 174.66 3hje h ASP 419 N 1.02 0.63 -0.08 0.00 3.32 -1.97 -0.28 116.42 119.06 3hje h ASP 419 Ca 0.40 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.26 3hje h ASP 419 Cb 0.25 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3hje h ASP 419 CO -0.16 0.56 -0.38 0.50 -1.72 0.00 0.00 179.24 178.04 3hje h LYS 420 N 0.70 0.59 -0.66 3.56 3.64 -1.79 -1.72 116.57 120.90 3hje h LYS 420 Ca 0.17 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3hje h LYS 420 Cb 0.12 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 3hje h LYS 420 CO -0.02 0.88 0.32 0.35 -2.27 0.00 0.00 179.45 178.71 3hje h PHE 421 N 0.49 0.94 -0.93 1.91 3.57 -0.86 -2.68 116.94 119.38 3hje h PHE 421 Ca 0.05 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3hje h PHE 421 Cb 0.89 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 3hje h PHE 421 CO 0.04 0.70 0.60 0.45 -2.23 0.00 0.00 178.31 177.87 3hje h HIS 422 N 0.91 1.20 -0.62 0.41 3.86 -0.81 -1.61 115.15 118.48 3hje h HIS 422 Ca 0.23 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 3hje h HIS 422 Cb 0.11 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.15 3hje h HIS 422 CO 0.00 0.77 0.33 0.93 0.86 0.00 0.00 177.93 180.82 3hje h GLU 423 N 1.28 0.86 0.31 2.45 5.08 -1.17 0.20 114.58 123.59 3hje h GLU 423 Ca 0.34 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3hje h GLU 423 Cb -0.11 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 3hje h GLU 423 CO -0.07 0.66 -0.30 0.35 -1.00 0.00 0.00 179.01 178.65 3hje h PHE 424 N 0.84 -0.80 -0.87 4.33 3.57 -1.24 -3.08 116.94 119.68 3hje h PHE 424 Ca 0.22 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3hje h PHE 424 Cb 0.06 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3hje h PHE 424 CO -0.01 -0.43 0.50 -0.91 -2.23 0.00 0.00 178.31 175.23 3hje h ASN 425 N -0.64 1.06 -0.87 0.41 -0.26 -1.03 -3.03 115.58 111.22 3hje h ASN 425 Ca -0.01 -0.08 0.07 0.00 -0.56 0.00 0.00 56.30 55.72 3hje h ASN 425 Cb 0.58 -0.27 -0.07 0.00 -1.06 0.00 0.00 38.32 37.51 3hje h ASN 425 CO -0.06 0.83 0.53 -0.07 -1.06 0.00 0.00 177.43 177.61 3hje h LEU 426 N 1.20 0.82 -0.21 1.61 3.38 -0.57 -0.21 115.31 121.34 3hje h LEU 426 Ca 0.31 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3hje h LEU 426 Cb -0.01 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hje h LEU 426 CO -0.05 0.51 0.00 0.29 0.09 0.00 0.00 178.44 179.28 3hje n LYS 427 N -4.64 0.09 0.00 1.13 5.02 -1.15 -3.46 118.16 115.15 3hje n LYS 427 Ca 0.13 0.26 0.12 0.00 -2.02 0.00 0.00 58.31 56.80 3hje n LYS 427 Cb 0.21 -1.65 0.15 0.00 -0.02 0.00 0.00 35.03 33.72 3hje n LYS 427 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hje n ARG 428 N -1.81 1.49 -1.68 1.97 1.74 -0.10 -4.95 116.66 113.32 3hje n ARG 428 Ca 0.04 -1.16 -0.45 0.00 -0.77 0.00 0.00 57.85 55.51 3hje n ARG 428 Cb 0.25 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.17 3hje n ARG 428 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3hje n VAL 429 N 0.26 0.05 -0.12 1.55 0.31 -1.18 -0.90 118.33 118.30 3hje n VAL 429 Ca 0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 3hje n VAL 429 Cb 0.47 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3hje n VAL 429 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hje n GLY 430 N 3.62 1.17 3.80 2.92 0.00 -0.11 -5.02 105.19 111.58 3hje n GLY 430 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3hje n GLY 430 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hje s THR 431 N -2.56 4.06 -2.45 2.61 -1.32 -0.08 -4.94 115.64 110.96 3hje s THR 431 Ca 0.00 1.41 0.22 0.00 -1.21 0.00 0.00 61.69 62.10 3hje s THR 431 Cb 0.00 -3.65 0.31 0.00 -1.51 0.00 0.00 72.50 67.65 3hje s THR 431 CO 0.00 -0.15 1.29 0.18 -2.21 0.00 0.00 174.62 173.73 3hje n LEU 432 N -0.40 3.13 -4.71 9.08 4.77 -1.26 -3.47 117.00 124.14 3hje n LEU 432 Ca 0.06 -1.31 -0.39 0.00 -0.03 0.00 0.00 56.01 54.34 3hje n LEU 432 Cb 0.52 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3hje n LEU 432 CO 0.41 0.63 0.90 -0.24 -1.33 0.00 0.00 177.39 177.75 3hje n SER 433 N 1.31 2.43 -4.77 -1.43 2.88 -1.10 -3.83 113.62 109.12 3hje n SER 433 Ca 0.16 1.01 -0.39 0.00 -1.33 0.00 0.00 58.87 58.32 3hje n SER 433 Cb 0.56 -1.53 -0.02 0.00 -0.75 0.00 0.00 64.21 62.48 3hje n SER 433 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3hje s PHE 434 N -1.28 3.04 -0.67 0.66 0.40 -0.87 -1.26 117.98 118.00 3hje s PHE 434 Ca 0.68 1.50 -0.16 0.00 -0.60 0.00 0.00 56.93 58.35 3hje s PHE 434 Cb -0.45 -3.51 0.15 0.00 0.51 0.00 0.00 43.02 39.72 3hje s PHE 434 CO 0.53 -1.56 0.69 -0.80 0.70 0.00 0.00 175.22 174.77 3hje s ASN 435 N -0.90 6.40 0.02 1.36 0.01 0.22 -4.09 114.94 117.96 3hje s ASN 435 Ca 0.55 -1.99 -0.03 0.00 -0.71 0.00 0.00 52.86 50.68 3hje s ASN 435 Cb -0.34 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 3hje s ASN 435 CO 0.44 -0.86 0.21 0.00 -1.51 0.00 0.00 177.10 175.38 3hje s ALA 436 N 1.55 3.95 0.00 0.60 0.00 -1.19 -1.88 121.76 124.78 3hje s ALA 436 Ca 0.12 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3hje s ALA 436 Cb -0.20 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.01 3hje s ALA 436 CO -0.01 0.75 0.00 0.25 0.00 0.00 0.00 175.76 176.75 3hje n THR 437 N 0.74 0.00 -3.90 0.00 -2.24 -1.26 -2.55 114.28 105.07 3hje n THR 437 Ca -0.09 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.58 3hje n THR 437 Cb 0.52 -0.13 -0.12 0.00 -2.10 0.00 0.00 70.33 68.50 3hje n THR 437 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hje s SER 438 N -1.37 0.07 0.31 3.42 0.01 -1.26 -3.73 113.70 111.16 3hje s SER 438 Ca 0.00 -0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.14 3hje s SER 438 Cb 0.00 0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 3hje s SER 438 CO 0.00 -0.18 0.22 0.42 0.41 0.00 0.00 173.24 174.10 3hje s THR 439 N -0.77 0.11 -0.80 1.44 -4.23 -1.26 -4.12 115.64 106.01 3hje s THR 439 Ca -0.08 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.58 3hje s THR 439 Cb -0.05 -2.48 0.14 0.00 1.34 0.00 0.00 72.50 71.45 3hje s THR 439 CO -0.00 0.00 1.47 0.00 -0.54 0.00 0.00 174.62 175.55 3hje n HIS 440 N -0.59 0.27 0.17 3.99 1.44 -1.26 -3.20 115.22 116.03 3hje n HIS 440 Ca 0.04 0.11 0.02 0.00 -2.01 0.00 0.00 57.72 55.88 3hje n HIS 440 Cb 0.64 -0.68 0.01 0.00 0.12 0.00 0.00 29.99 30.08 3hje n HIS 440 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3hje n ASP 441 N -1.75 1.21 -4.77 4.39 8.00 -1.26 -4.64 116.55 117.73 3hje n ASP 441 Ca 0.02 -1.11 -0.37 0.00 0.71 0.00 0.00 54.79 54.05 3hje n ASP 441 Cb 0.15 0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.34 3hje n ASP 441 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hje s THR 442 N -0.43 3.19 0.37 -3.53 -4.23 -1.20 -4.85 115.64 104.96 3hje s THR 442 Ca 0.04 0.86 0.06 0.00 -1.18 0.00 0.00 61.69 61.47 3hje s THR 442 Cb 0.03 -3.42 0.20 0.00 1.34 0.00 0.00 72.50 70.65 3hje s THR 442 CO 0.06 -0.04 1.95 0.11 -0.54 0.00 0.00 174.62 176.16 3hje h LYS 443 N 1.93 0.52 -4.51 3.99 1.79 -1.90 -3.40 116.57 114.99 3hje h LYS 443 Ca -0.49 -0.08 -0.19 0.00 -2.18 0.00 0.00 60.65 57.71 3hje h LYS 443 Cb 1.25 -0.09 -0.15 0.00 -1.58 0.00 0.00 32.23 31.65 3hje h LYS 443 CO 0.60 0.46 -0.69 -0.06 -1.08 0.00 0.00 179.45 178.68 3hje s PHE 444 N -5.18 0.77 0.66 -1.35 0.08 -1.26 -1.49 117.98 110.21 3hje s PHE 444 Ca -0.08 -0.97 -0.11 0.00 0.12 0.00 0.00 56.93 55.89 3hje s PHE 444 Cb 0.16 -0.47 -0.01 0.00 -0.57 0.00 0.00 43.02 42.13 3hje s PHE 444 CO 0.75 -0.23 1.05 -1.54 -0.10 0.00 0.00 175.22 175.15 3hje s SER 445 N -3.00 5.72 0.29 1.36 1.04 -0.33 -4.78 113.70 113.99 3hje s SER 445 Ca 0.10 1.54 0.03 0.00 0.48 0.00 0.00 55.95 58.11 3hje s SER 445 Cb 0.06 -2.49 0.67 0.00 0.10 0.00 0.00 66.02 64.37 3hje s SER 445 CO -0.06 -1.21 1.75 1.05 0.98 0.00 0.00 173.24 175.74 3hje h GLU 446 N -0.55 0.59 -0.02 4.02 4.11 -1.85 -2.51 114.58 118.36 3hje h GLU 446 Ca -0.44 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 58.83 3hje h GLU 446 Cb 1.20 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 3hje h GLU 446 CO 0.59 0.39 -0.57 -0.44 0.07 0.00 0.00 179.01 179.05 3hje h ASP 447 N 0.60 0.07 0.22 3.06 3.32 -1.92 -0.63 116.42 121.14 3hje h ASP 447 Ca 0.54 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.54 3hje h ASP 447 Cb 0.88 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3hje h ASP 447 CO -0.42 0.62 -0.10 0.58 -1.72 0.00 0.00 179.24 178.20 3hje h VAL 448 N 0.05 0.84 -0.98 -1.35 2.07 -1.66 -2.43 116.25 112.78 3hje h VAL 448 Ca -0.00 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.30 3hje h VAL 448 Cb 1.01 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.74 3hje h VAL 448 CO 0.08 0.07 0.63 0.03 0.02 0.00 0.00 177.57 178.39 3hje h ARG 449 N -0.45 1.02 -0.59 1.57 3.08 -1.06 -0.90 114.38 117.06 3hje h ARG 449 Ca -0.03 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 3hje h ARG 449 Cb 0.34 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3hje h ARG 449 CO 0.05 0.67 -0.00 0.52 -1.07 0.00 0.00 179.97 180.14 3hje h MET 450 N 1.05 1.04 -0.12 0.04 2.86 -1.10 -0.49 114.93 118.21 3hje h MET 450 Ca 0.45 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3hje h MET 450 Cb 0.33 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3hje h MET 450 CO -0.20 1.02 0.06 0.00 1.06 0.00 0.00 176.91 178.84 3hje h ARG 451 N 0.95 0.18 -0.57 1.72 3.08 -0.91 -1.95 114.38 116.86 3hje h ARG 451 Ca 0.17 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 3hje h ARG 451 Cb 0.55 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3hje h ARG 451 CO 0.03 0.23 0.05 0.82 -1.07 0.00 0.00 179.97 180.03 3hje h ILE 452 N 0.08 1.26 -0.12 2.04 2.04 -0.97 -2.17 117.51 119.67 3hje h ILE 452 Ca 0.04 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.83 3hje h ILE 452 Cb 0.11 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3hje h ILE 452 CO -0.01 0.38 -0.06 0.28 0.00 0.00 0.00 178.15 178.74 3hje h SER 453 N 0.86 0.15 0.25 1.72 0.02 -1.10 -1.88 113.55 113.57 3hje h SER 453 Ca 0.17 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3hje h SER 453 Cb 0.47 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 3hje h SER 453 CO 0.02 0.24 -0.16 0.00 -1.14 0.00 0.00 176.83 175.79 3hje h ALA 454 N 1.78 1.53 -0.66 3.77 0.00 -0.69 -2.11 119.26 122.88 3hje h ALA 454 Ca 0.04 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.91 3hje h ALA 454 Cb 0.22 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 3hje h ALA 454 CO 0.01 0.20 0.23 0.82 0.00 0.00 0.00 179.25 180.51 3hje h ILE 455 N 0.00 0.70 0.00 0.00 2.04 -1.16 -2.21 117.51 116.88 3hje h ILE 455 Ca -0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3hje h ILE 455 Cb 0.33 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3hje h ILE 455 CO 0.02 0.07 0.00 -1.54 0.00 0.00 0.00 178.15 176.70 3hje n SER 456 N -5.03 0.43 0.19 1.72 3.41 -0.79 -1.34 113.62 112.21 3hje n SER 456 Ca 0.11 0.67 0.09 0.00 -0.26 0.00 0.00 58.87 59.47 3hje n SER 456 Cb 0.33 -0.74 0.12 0.00 -0.26 0.00 0.00 64.21 63.66 3hje n SER 456 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3hje h GLU 457 N 0.00 0.00 -1.99 4.33 5.08 -1.49 -3.35 114.58 117.17 3hje h GLU 457 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3hje h GLU 457 Cb 0.12 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.96 3hje h GLU 457 CO 0.00 0.18 -0.94 0.44 -1.00 0.00 0.00 179.01 177.70 3hje n ILE 458 N -3.15 1.44 0.20 3.13 -5.35 -0.45 -4.96 119.36 110.23 3hje n ILE 458 Ca 0.03 -4.89 0.06 0.00 -0.27 0.00 0.00 62.75 57.68 3hje n ILE 458 Cb 0.60 -0.72 0.40 0.00 -1.74 0.00 0.00 39.64 38.18 3hje n ILE 458 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3hje h PRO 459 N 2.96 0.00 -0.26 6.28 0.13 -1.73 -1.37 132.00 138.01 3hje h PRO 459 Ca 0.11 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 3hje h PRO 459 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 3hje h PRO 459 CO 0.66 0.35 -0.05 -0.44 -0.23 0.00 0.00 178.00 178.28 3hje h ASP 460 N 0.00 0.50 -0.63 1.44 3.32 -1.92 -0.21 116.42 118.92 3hje h ASP 460 Ca -0.00 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 3hje h ASP 460 Cb 0.76 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 3hje h ASP 460 CO 0.05 0.74 0.23 -0.08 -1.72 0.00 0.00 179.24 178.45 3hje h GLU 461 N 0.25 0.96 0.04 3.56 4.57 -1.90 -2.02 114.58 120.04 3hje h GLU 461 Ca 0.07 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3hje h GLU 461 Cb 0.52 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3hje h GLU 461 CO 0.02 0.83 -0.09 2.35 -1.18 0.00 0.00 179.01 180.94 3hje h TRP 462 N 0.89 -0.23 -0.94 0.92 2.91 -1.18 -0.24 115.95 118.09 3hje h TRP 462 Ca 0.21 0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.28 3hje h TRP 462 Cb 0.25 0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 28.93 3hje h TRP 462 CO 0.02 -0.14 0.60 0.00 -1.03 0.00 0.00 178.44 177.89 3hje h ALA 463 N 0.76 1.27 -0.45 2.65 0.00 -0.93 -0.11 119.26 122.44 3hje h ALA 463 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hje h ALA 463 Cb 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hje h ALA 463 CO -0.06 0.42 0.20 -0.22 0.00 0.00 0.00 179.25 179.58 3hje h LYS 464 N 1.13 0.66 -0.41 0.00 3.64 -1.07 -2.49 116.57 118.03 3hje h LYS 464 Ca 0.39 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.54 3hje h LYS 464 Cb 0.09 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3hje h LYS 464 CO -0.15 0.59 -0.21 0.87 -2.27 0.00 0.00 179.45 178.27 3hje h LYS 465 N 0.58 0.87 -0.50 1.90 1.79 -0.36 -2.01 116.57 118.84 3hje h LYS 465 Ca 0.15 -0.39 0.03 0.00 -2.18 0.00 0.00 60.65 58.27 3hje h LYS 465 Cb 0.16 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 3hje h LYS 465 CO -0.02 1.03 0.28 0.28 -1.08 0.00 0.00 179.45 179.94 3hje h VAL 466 N 0.69 1.01 -0.12 0.50 2.07 -1.00 0.21 116.25 119.61 3hje h VAL 466 Ca 0.09 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3hje h VAL 466 Cb 0.78 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3hje h VAL 466 CO 0.06 0.10 0.04 -1.13 0.02 0.00 0.00 177.57 176.67 3hje h ASN 467 N 0.55 0.17 -0.53 0.57 -0.73 -1.43 -1.32 115.58 112.85 3hje h ASN 467 Ca 0.21 -0.18 0.06 0.00 1.87 0.00 0.00 56.30 58.26 3hje h ASN 467 Cb 0.07 -0.04 -0.06 0.00 0.27 0.00 0.00 38.32 38.56 3hje h ASN 467 CO -0.12 0.30 0.22 -0.08 -0.37 0.00 0.00 177.43 177.38 3hje h GLU 468 N 0.02 0.42 -0.56 6.67 4.81 -1.05 -1.63 114.58 123.26 3hje h GLU 468 Ca 0.04 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 3hje h GLU 468 Cb 0.19 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3hje h GLU 468 CO -0.00 0.28 -0.05 -1.49 -0.73 0.00 0.00 179.01 177.01 3hje h TRP 469 N 0.43 1.11 -0.56 0.92 6.55 -0.52 -1.49 115.95 122.40 3hje h TRP 469 Ca 0.25 -0.20 0.05 0.00 0.95 0.00 0.00 58.89 59.93 3hje h TRP 469 Cb 0.23 -0.28 -0.05 0.00 -0.86 0.00 0.00 29.16 28.20 3hje h TRP 469 CO -0.14 1.01 0.30 1.25 -1.05 0.00 0.00 178.44 179.81 3hje h HIS 470 N 0.91 0.55 -0.22 0.49 2.76 -0.84 -0.76 115.15 118.04 3hje h HIS 470 Ca 0.15 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.23 3hje h HIS 470 Cb 0.60 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 3hje h HIS 470 CO 0.04 0.27 -0.36 -0.91 -1.30 0.00 0.00 177.93 175.67 3hje h ASN 471 N 0.57 0.49 -0.04 3.26 2.35 -1.05 0.81 115.58 121.97 3hje h ASN 471 Ca 0.24 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3hje h ASN 471 Cb 0.13 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 3hje h ASN 471 CO -0.15 0.81 -0.02 0.40 -1.65 0.00 0.00 177.43 176.82 3hje h ILE 472 N 0.40 1.33 0.00 2.81 2.04 -0.95 -3.36 117.51 119.79 3hje h ILE 472 Ca 0.04 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 3hje h ILE 472 Cb 0.82 1.94 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 3hje h ILE 472 CO 0.07 0.28 -0.94 -0.07 0.00 0.00 0.00 178.15 177.49 3hje h LEU 473 N -0.31 0.00 -3.37 1.44 3.38 -1.12 -3.49 115.31 111.85 3hje h LEU 473 Ca 0.01 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.61 3hje h LEU 473 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3hje h LEU 473 CO 0.01 0.09 -0.80 -3.20 0.09 0.00 0.00 178.44 174.63 3hje n ASN 474 N -2.77 -3.38 -4.77 -0.43 5.15 0.27 -4.89 115.26 104.44 3hje n ASN 474 Ca -0.01 -0.75 -0.37 0.00 -0.60 0.00 0.00 54.58 52.85 3hje n ASN 474 Cb 0.59 -1.15 -0.01 0.00 -0.53 0.00 0.00 39.78 38.69 3hje n ASN 474 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3hje s PRO 475 N -4.56 3.70 -0.10 1.20 0.04 -1.26 -4.96 135.00 129.06 3hje s PRO 475 Ca 0.05 1.77 0.14 0.00 0.04 0.00 0.00 61.00 63.01 3hje s PRO 475 Cb -0.03 -2.36 0.48 0.00 0.04 0.00 0.00 34.50 32.62 3hje s PRO 475 CO 0.66 -0.60 1.39 0.27 0.04 0.00 0.00 177.00 178.76 3hje n ASN 476 N -0.58 3.68 -4.91 6.66 0.23 -1.26 -4.95 115.26 114.13 3hje n ASN 476 Ca 0.08 -2.53 -0.27 0.00 -0.53 0.00 0.00 54.58 51.32 3hje n ASN 476 Cb 0.48 -0.43 -0.01 0.00 -2.08 0.00 0.00 39.78 37.74 3hje n ASN 476 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3hje s ILE 477 N -1.97 4.93 0.81 1.53 -4.36 -1.26 -5.04 121.20 115.84 3hje s ILE 477 Ca 0.36 0.14 -0.11 0.00 -0.26 0.00 0.00 60.65 60.79 3hje s ILE 477 Cb 0.25 -3.84 0.08 0.00 1.25 0.00 0.00 42.46 40.20 3hje s ILE 477 CO 0.14 -0.73 1.09 1.51 0.24 0.00 0.00 174.94 177.19 3hje s ASP 478 N -3.91 4.24 0.35 4.36 -4.77 -1.26 -4.79 116.67 110.90 3hje s ASP 478 Ca 0.47 1.68 0.04 0.00 -3.30 0.00 0.00 52.55 51.44 3hje s ASP 478 Cb -0.10 -2.39 0.66 0.00 -1.09 0.00 0.00 42.92 40.00 3hje s ASP 478 CO 0.41 -2.18 1.96 0.11 0.70 0.00 0.00 175.17 176.17 3hje h LYS 479 N -1.23 0.65 -0.43 2.11 1.57 -1.98 -1.16 116.57 116.09 3hje h LYS 479 Ca -0.45 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.16 3hje h LYS 479 Cb 1.25 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 3hje h LYS 479 CO 0.53 0.52 -0.05 -0.97 -0.57 0.00 0.00 179.45 178.91 3hje h ASN 480 N 0.65 0.79 0.51 0.86 -1.24 -1.92 -0.89 115.58 114.34 3hje h ASN 480 Ca 0.16 -0.34 -0.13 0.00 0.71 0.00 0.00 56.30 56.71 3hje h ASN 480 Cb 0.10 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 3hje h ASN 480 CO -0.02 0.94 -0.57 0.44 -1.29 0.00 0.00 177.43 176.93 3hje h ASP 481 N 0.63 0.07 -0.35 1.15 3.32 -1.84 -0.64 116.42 118.76 3hje h ASP 481 Ca 0.12 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 3hje h ASP 481 Cb 0.57 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3hje h ASP 481 CO 0.03 0.63 -0.15 -0.08 -1.72 0.00 0.00 179.24 177.95 3hje h GLU 482 N 0.05 0.71 -0.45 3.56 4.81 -1.12 -1.20 114.58 120.94 3hje h GLU 482 Ca -0.00 -0.30 -0.11 0.00 -0.13 0.00 0.00 59.36 58.81 3hje h GLU 482 Cb 1.02 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 3hje h GLU 482 CO 0.08 0.90 -0.18 -0.92 -0.73 0.00 0.00 179.01 178.16 3hje h TYR 483 N 0.49 0.98 -0.07 0.92 3.20 -0.99 -1.81 116.97 119.68 3hje h TYR 483 Ca 0.08 -0.21 0.01 0.00 3.14 0.00 0.00 58.73 61.74 3hje h TYR 483 Cb 0.68 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3hje h TYR 483 CO 0.06 0.97 0.01 -0.09 -1.64 0.00 0.00 178.16 177.47 3hje h ARG 484 N 0.76 0.05 -0.38 1.82 9.65 -1.07 -2.45 114.38 122.76 3hje h ARG 484 Ca 0.11 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3hje h ARG 484 Cb 0.71 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.26 3hje h ARG 484 CO 0.05 0.03 0.25 1.25 2.80 0.00 0.00 179.97 184.35 3hje h LEU 485 N 0.05 0.42 -0.38 3.80 5.85 -0.99 -0.86 115.31 123.20 3hje h LEU 485 Ca 0.03 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3hje h LEU 485 Cb 0.02 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3hje h LEU 485 CO -0.04 0.31 0.21 1.88 -0.34 0.00 0.00 178.44 180.45 3hje h TYR 486 N 0.50 0.38 -0.58 1.25 0.05 -1.29 -1.13 116.97 116.15 3hje h TYR 486 Ca 0.14 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 3hje h TYR 486 Cb -0.05 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 3hje h TYR 486 CO -0.05 0.22 0.34 1.96 -1.05 0.00 0.00 178.16 179.58 3hje h GLN 487 N 0.42 0.79 -0.42 4.88 4.20 -1.24 -2.19 115.11 121.57 3hje h GLN 487 Ca 0.16 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3hje h GLN 487 Cb 0.04 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3hje h GLN 487 CO -0.09 0.58 0.21 1.15 -0.67 0.00 0.00 178.83 180.01 3hje h THR 488 N 0.78 1.17 -0.44 -0.54 2.02 -0.75 -0.33 112.91 114.82 3hje h THR 488 Ca 0.21 -0.46 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 3hje h THR 488 Cb -0.00 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3hje h THR 488 CO -0.04 0.18 -0.14 -0.29 0.37 0.00 0.00 175.52 175.60 3hje h ILE 489 N 0.54 1.27 -0.35 3.11 2.10 -1.17 0.15 117.51 123.16 3hje h ILE 489 Ca 0.14 -1.27 0.03 0.00 1.08 0.00 0.00 64.86 64.85 3hje h ILE 489 Cb 0.09 1.17 -0.03 0.00 -1.09 0.00 0.00 36.82 36.97 3hje h ILE 489 CO -0.02 0.43 0.16 0.58 -1.08 0.00 0.00 178.15 178.22 3hje h VAL 490 N 0.70 0.97 -0.37 2.19 2.07 -1.21 0.81 116.25 121.41 3hje h VAL 490 Ca 0.11 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 3hje h VAL 490 Cb 0.69 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3hje h VAL 490 CO 0.05 0.06 -0.03 1.23 0.02 0.00 0.00 177.57 178.91 3hje h GLY 491 N 0.34 0.73 -1.68 2.17 0.00 -0.90 -3.35 103.07 100.38 3hje h GLY 491 Ca 0.15 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3hje h GLY 491 CO -0.11 0.51 0.00 -1.14 0.00 0.00 0.00 176.54 175.80 3hje n SER 492 N -4.45 2.82 -4.64 0.19 3.41 0.03 -4.35 113.62 106.62 3hje n SER 492 Ca -0.01 -1.84 -0.55 0.00 -0.26 0.00 0.00 58.87 56.20 3hje n SER 492 Cb 0.30 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.09 3hje n SER 492 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3hje n PHE 493 N 1.11 1.72 -2.58 7.33 7.35 0.27 -4.90 117.46 127.75 3hje n PHE 493 Ca 0.13 0.62 -0.08 0.00 -0.76 0.00 0.00 57.45 57.37 3hje n PHE 493 Cb 0.49 -2.38 0.04 0.00 0.35 0.00 0.00 39.48 37.99 3hje n PHE 493 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3hje n ASP 494 N 3.78 2.62 0.00 -2.13 2.03 -1.26 -5.04 116.55 116.55 3hje n ASP 494 Ca 0.22 -2.59 0.00 0.00 0.52 0.00 0.00 54.79 52.94 3hje n ASP 494 Cb 0.15 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 3hje n ASP 494 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hje n GLY 495 N -0.61 -0.01 3.58 0.27 0.00 -1.26 -4.75 105.19 102.40 3hje n GLY 495 Ca 0.19 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 3hje n GLY 495 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hje s PHE 496 N -2.18 2.53 0.13 1.61 0.08 -1.26 -4.72 117.98 114.18 3hje s PHE 496 Ca 0.00 -1.00 -0.00 0.00 0.12 0.00 0.00 56.93 56.04 3hje s PHE 496 Cb 0.00 -4.53 -0.04 0.00 -0.57 0.00 0.00 43.02 37.87 3hje s PHE 496 CO 0.00 -1.63 0.03 0.54 -0.10 0.00 0.00 175.22 174.06 3hje s ASN 497 N 4.90 0.55 0.20 1.36 2.20 -1.26 -5.06 114.94 117.83 3hje s ASN 497 Ca 0.58 -1.17 -0.09 0.00 -0.94 0.00 0.00 52.86 51.23 3hje s ASN 497 Cb 0.03 0.24 0.14 0.00 -2.00 0.00 0.00 41.25 39.66 3hje s ASN 497 CO 0.09 -0.67 1.79 0.78 -2.94 0.00 0.00 177.10 176.15 3hje h ASN 498 N 2.86 0.98 -0.54 3.54 2.35 -1.98 -0.35 115.58 122.44 3hje h ASN 498 Ca -0.35 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.24 3hje h ASN 498 Cb 1.19 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.29 3hje h ASN 498 CO 0.61 0.85 0.25 1.05 -1.65 0.00 0.00 177.43 178.54 3hje h GLU 499 N 1.05 0.78 -0.35 0.81 9.09 -1.98 -1.36 114.58 122.62 3hje h GLU 499 Ca 0.26 -0.12 -0.14 0.00 0.05 0.00 0.00 59.36 59.40 3hje h GLU 499 Cb 0.13 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3hje h GLU 499 CO -0.03 0.65 -0.33 -0.92 0.05 0.00 0.00 179.01 178.43 3hje h TYR 500 N 0.72 1.01 -0.66 2.06 3.20 -1.83 -2.87 116.97 118.61 3hje h TYR 500 Ca 0.18 -0.30 0.12 0.00 3.14 0.00 0.00 58.73 61.88 3hje h TYR 500 Cb 0.13 -0.21 -0.09 0.00 1.54 0.00 0.00 36.73 38.10 3hje h TYR 500 CO -0.00 1.10 0.19 -0.22 -1.64 0.00 0.00 178.16 177.59 3hje h LYS 501 N 0.64 0.32 -0.08 1.82 3.64 -0.74 0.39 116.57 122.56 3hje h LYS 501 Ca 0.06 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.23 3hje h LYS 501 Cb 0.92 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3hje h LYS 501 CO 0.08 0.21 -0.74 0.93 -2.27 0.00 0.00 179.45 177.67 3hje h GLU 502 N 0.33 0.43 -0.55 1.90 4.39 -1.29 -1.54 114.58 118.26 3hje h GLU 502 Ca 0.35 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3hje h GLU 502 Cb 0.52 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 3hje h GLU 502 CO -0.40 0.99 0.35 0.00 -1.16 0.00 0.00 179.01 178.79 3hje h ARG 503 N 0.29 0.68 -0.36 2.33 3.08 -1.19 -0.92 114.38 118.29 3hje h ARG 503 Ca -0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3hje h ARG 503 Cb 1.32 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 3hje h ARG 503 CO 0.13 0.45 0.11 1.25 -1.07 0.00 0.00 179.97 180.84 3hje h LEU 504 N 0.70 0.52 0.03 3.04 5.85 -0.77 -1.30 115.31 123.38 3hje h LEU 504 Ca 0.21 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3hje h LEU 504 Cb -0.03 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3hje h LEU 504 CO -0.07 0.59 -0.04 0.11 -0.34 0.00 0.00 178.44 178.69 3hje h LYS 505 N 0.43 -0.08 -0.42 1.25 1.57 -1.20 -0.70 116.57 117.43 3hje h LYS 505 Ca 0.12 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 3hje h LYS 505 Cb 0.25 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 3hje h LYS 505 CO -0.00 -0.05 0.04 0.00 -0.57 0.00 0.00 179.45 178.86 3hje h ALA 506 N 0.89 0.42 -0.44 3.86 0.00 -1.07 -1.85 119.26 121.08 3hje h ALA 506 Ca 0.01 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hje h ALA 506 Cb 0.09 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hje h ALA 506 CO -0.02 -0.36 0.13 1.25 0.00 0.00 0.00 179.25 180.25 3hje h HIS 507 N 0.16 0.71 -0.66 0.00 -0.00 -1.07 -2.32 115.15 111.98 3hje h HIS 507 Ca 0.21 -0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.46 3hje h HIS 507 Cb 0.28 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 3hje h HIS 507 CO -0.24 0.65 0.26 0.52 -0.00 0.00 0.00 177.93 179.12 3hje h MET 508 N 0.57 0.97 -0.39 5.26 2.07 -0.79 0.17 114.93 122.79 3hje h MET 508 Ca 0.14 -0.16 -0.04 0.00 -2.07 0.00 0.00 59.70 57.57 3hje h MET 508 Cb 0.28 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.83 3hje h MET 508 CO -0.00 0.79 0.10 0.82 1.07 0.00 0.00 176.91 179.69 3hje h ILE 509 N 0.95 1.22 -0.31 -1.22 2.04 -1.28 0.51 117.51 119.43 3hje h ILE 509 Ca 0.22 -0.75 0.05 0.00 1.00 0.00 0.00 64.86 65.38 3hje h ILE 509 Cb 0.18 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 3hje h ILE 509 CO -0.02 0.26 0.00 0.50 0.00 0.00 0.00 178.15 178.90 3hje h LYS 510 N 0.49 0.09 -0.82 2.37 3.64 -0.88 -0.24 116.57 121.23 3hje h LYS 510 Ca 0.12 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3hje h LYS 510 Cb 0.29 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 3hje h LYS 510 CO -0.00 0.06 0.53 0.00 -2.27 0.00 0.00 179.45 177.77 3hje h ALA 511 N 1.26 1.07 -0.50 5.00 0.00 -0.33 0.74 119.26 126.50 3hje h ALA 511 Ca 0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hje h ALA 511 Cb 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hje h ALA 511 CO -0.24 0.38 0.16 -0.07 0.00 0.00 0.00 179.25 179.48 3hje h LEU 512 N 1.05 0.71 -0.70 0.00 3.38 -0.60 -2.22 115.31 116.94 3hje h LEU 512 Ca 0.32 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3hje h LEU 512 Cb -0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3hje h LEU 512 CO -0.10 0.72 -0.57 0.03 0.09 0.00 0.00 178.44 178.61 3hje h ARG 513 N 0.67 0.24 -0.36 1.13 3.08 -0.50 -2.60 114.38 116.04 3hje h ARG 513 Ca 0.16 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 3hje h ARG 513 Cb 0.26 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3hje h ARG 513 CO -0.01 0.74 -0.04 0.93 -1.07 0.00 0.00 179.97 180.53 3hje h GLU 514 N 0.18 0.67 -0.04 0.04 4.39 -0.81 -3.13 114.58 115.86 3hje h GLU 514 Ca -0.00 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.43 3hje h GLU 514 Cb 1.06 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 3hje h GLU 514 CO 0.09 0.80 -0.14 0.00 -1.16 0.00 0.00 179.01 178.60 3hje h ALA 515 N 0.84 1.69 -1.80 3.43 0.00 -1.29 -3.39 119.26 118.75 3hje h ALA 515 Ca 0.10 -0.15 -0.39 0.00 0.00 0.00 0.00 54.91 54.47 3hje h ALA 515 Cb 0.53 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 3hje h ALA 515 CO 0.03 0.23 -0.42 1.63 0.00 0.00 0.00 179.25 180.72 3hje n LYS 516 N -4.34 -1.42 -0.07 0.00 5.02 -0.99 -4.90 118.16 111.45 3hje n LYS 516 Ca -0.02 1.05 -0.09 0.00 -2.02 0.00 0.00 58.31 57.23 3hje n LYS 516 Cb 0.23 -5.49 -0.06 0.00 -0.02 0.00 0.00 35.03 29.69 3hje n LYS 516 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hje h VAL 517 N 0.00 0.67 0.00 -0.18 2.07 -1.90 -3.42 116.25 113.50 3hje h VAL 517 Ca -0.42 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.50 3hje h VAL 517 Cb 1.29 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3hje h VAL 517 CO 0.55 0.23 -1.15 1.41 0.02 0.00 0.00 177.57 178.63 3hje n HIS 518 N -4.63 0.00 -3.78 1.57 8.25 -1.26 -5.05 115.22 110.32 3hje n HIS 518 Ca -0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.27 3hje n HIS 518 Cb 0.32 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 3hje n HIS 518 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3hje s THR 519 N -2.59 0.01 0.39 1.59 -1.32 -1.26 -4.55 115.64 107.90 3hje s THR 519 Ca -0.01 -0.84 -0.11 0.00 -1.21 0.00 0.00 61.69 59.52 3hje s THR 519 Cb 0.09 -1.74 0.04 0.00 -1.51 0.00 0.00 72.50 69.38 3hje s THR 519 CO 0.53 -0.04 0.71 -0.90 -2.21 0.00 0.00 174.62 172.71 3hje n ASP 520 N -0.40 -2.05 0.18 8.08 5.68 -1.15 -3.46 116.55 123.43 3hje n ASP 520 Ca -0.08 -2.72 0.06 0.00 -0.50 0.00 0.00 54.79 51.56 3hje n ASP 520 Cb 0.61 3.51 0.28 0.00 -1.14 0.00 0.00 41.12 44.38 3hje n ASP 520 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 3hje h TRP 521 N 2.02 0.00 0.00 2.11 4.06 -1.97 -3.27 115.95 118.91 3hje h TRP 521 Ca -0.32 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.55 3hje h TRP 521 Cb 1.25 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.39 3hje h TRP 521 CO 0.00 0.37 -0.59 0.28 -3.56 0.00 0.00 178.44 174.95 3hje h VAL 522 N 0.00 0.64 -3.50 1.49 2.07 -1.96 -3.43 116.25 111.55 3hje h VAL 522 Ca -0.00 -1.65 -0.70 0.00 0.82 0.00 0.00 66.70 65.16 3hje h VAL 522 Cb 1.00 1.37 -0.34 0.00 -1.52 0.00 0.00 31.29 31.81 3hje h VAL 522 CO 0.05 0.22 -0.41 0.20 0.02 0.00 0.00 177.57 177.65 3hje s ASN 523 N -6.17 5.39 -0.19 0.57 -0.87 -1.25 -5.07 114.94 107.34 3hje s ASN 523 Ca -0.18 -2.44 -0.29 0.00 -1.57 0.00 0.00 52.86 48.38 3hje s ASN 523 Cb 0.02 -1.89 -0.01 0.00 -0.02 0.00 0.00 41.25 39.35 3hje s ASN 523 CO 0.39 -0.48 1.31 -0.69 -2.57 0.00 0.00 177.10 175.06 3hje s VAL 524 N 0.54 4.19 -1.16 1.60 1.01 -1.23 -2.91 120.40 122.44 3hje s VAL 524 Ca 0.13 1.41 -0.19 0.00 0.00 0.00 0.00 61.98 63.33 3hje s VAL 524 Cb -0.21 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.26 3hje s VAL 524 CO -0.04 -0.22 1.52 0.21 0.00 0.00 0.00 175.10 176.58 3hje s ASN 525 N 2.34 6.77 0.53 3.32 3.84 -1.26 -4.85 114.94 125.63 3hje s ASN 525 Ca 0.57 -2.25 0.23 0.00 0.21 0.00 0.00 52.86 51.61 3hje s ASN 525 Cb -0.21 -2.52 1.45 0.00 -0.55 0.00 0.00 41.25 39.42 3hje s ASN 525 CO 0.18 -1.16 2.15 0.00 -2.79 0.00 0.00 177.10 175.48 3hje h THR 526 N 5.74 0.78 0.12 -5.21 1.03 -1.95 -1.60 112.91 111.83 3hje h THR 526 Ca 0.32 -0.21 -0.01 0.00 -0.01 0.00 0.00 66.41 66.50 3hje h THR 526 Cb 0.93 1.12 0.00 0.00 -1.07 0.00 0.00 68.15 69.13 3hje h THR 526 CO 1.36 0.05 -0.06 -0.33 -0.01 0.00 0.00 175.52 176.54 3hje h GLU 527 N 0.00 -0.16 -0.42 0.00 3.07 -1.99 -1.53 114.58 113.55 3hje h GLU 527 Ca -0.00 0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 3hje h GLU 527 Cb 0.12 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 3hje h GLU 527 CO 0.01 0.27 -0.12 -0.92 -1.40 0.00 0.00 179.01 176.85 3hje h TYR 528 N -0.66 0.84 -0.36 4.33 3.20 -1.89 -2.28 116.97 120.15 3hje h TYR 528 Ca -0.02 -0.15 -0.07 0.00 3.14 0.00 0.00 58.73 61.63 3hje h TYR 528 Cb 0.50 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3hje h TYR 528 CO 0.07 0.84 -0.06 0.93 -1.64 0.00 0.00 178.16 178.30 3hje h GLU 529 N 0.69 0.60 -0.35 1.82 5.08 -1.35 -2.43 114.58 118.63 3hje h GLU 529 Ca 0.12 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3hje h GLU 529 Cb 0.60 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3hje h GLU 529 CO 0.04 0.67 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.43 3hje h LYS 530 N 0.56 0.59 -0.29 2.33 1.63 -0.91 -1.73 116.57 118.74 3hje h LYS 530 Ca 0.11 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3hje h LYS 530 Cb 0.45 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 3hje h LYS 530 CO 0.02 0.66 0.17 0.87 -3.45 0.00 0.00 179.45 177.72 3hje h LYS 531 N 0.55 0.41 -0.18 1.90 1.57 -0.95 0.34 116.57 120.21 3hje h LYS 531 Ca 0.11 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3hje h LYS 531 Cb 0.45 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3hje h LYS 531 CO 0.02 0.34 0.04 1.98 -0.57 0.00 0.00 179.45 181.26 3hje h MET 532 N 0.36 0.11 -0.05 3.15 4.05 -1.34 -1.16 114.93 120.04 3hje h MET 532 Ca 0.10 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.40 3hje h MET 532 Cb 0.05 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 3hje h MET 532 CO -0.02 0.07 -0.52 1.79 0.23 0.00 0.00 176.91 178.47 3hje h THR 533 N 0.11 1.36 -0.49 -0.77 1.35 -1.11 -2.36 112.91 111.00 3hje h THR 533 Ca 0.08 -1.78 -0.06 0.00 -0.55 0.00 0.00 66.41 64.10 3hje h THR 533 Cb 0.07 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.37 3hje h THR 533 CO -0.10 0.52 0.05 0.22 -0.25 0.00 0.00 175.52 175.96 3hje h TYR 534 N 0.12 0.89 -1.01 4.73 3.20 -0.22 -1.81 116.97 122.87 3hje h TYR 534 Ca 0.00 -0.13 0.03 0.00 3.14 0.00 0.00 58.73 61.76 3hje h TYR 534 Cb 0.95 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.93 3hje h TYR 534 CO 0.01 0.82 0.66 1.25 -1.64 0.00 0.00 178.16 179.27 3hje h LEU 535 N 0.70 1.12 -0.38 2.82 5.85 -1.01 0.56 115.31 124.97 3hje h LEU 535 Ca 0.15 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 3hje h LEU 535 Cb 0.43 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3hje h LEU 535 CO 0.01 0.79 -0.27 0.40 -0.34 0.00 0.00 178.44 179.03 3hje h ILE 536 N 1.31 1.28 -0.44 4.05 2.04 -1.29 0.68 117.51 125.15 3hje h ILE 536 Ca 0.39 -1.43 0.04 0.00 1.00 0.00 0.00 64.86 64.86 3hje h ILE 536 Cb -0.07 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3hje h ILE 536 CO -0.11 0.47 0.21 0.44 0.00 0.00 0.00 178.15 179.17 3hje h ASP 537 N 0.66 0.30 -0.61 1.72 3.32 -1.03 -1.95 116.42 118.82 3hje h ASP 537 Ca 0.07 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.18 3hje h ASP 537 Cb 0.84 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 3hje h ASP 537 CO 0.07 0.21 0.38 0.50 -1.72 0.00 0.00 179.24 178.69 3hje h LYS 538 N 0.42 0.73 -0.86 3.56 3.64 -0.61 -2.34 116.57 121.11 3hje h LYS 538 Ca 0.19 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3hje h LYS 538 Cb 0.11 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 3hje h LYS 538 CO -0.14 0.48 0.57 0.52 -2.27 0.00 0.00 179.45 178.61 3hje h MET 539 N 0.75 1.04 -0.00 1.90 2.86 -0.55 0.10 114.93 121.03 3hje h MET 539 Ca 0.24 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3hje h MET 539 Cb 0.01 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.43 3hje h MET 539 CO -0.10 0.69 -0.05 1.19 1.06 0.00 0.00 176.91 179.70 3hje n PHE 540 N -4.45 0.00 0.00 -0.22 3.01 -0.76 -3.85 117.46 111.20 3hje n PHE 540 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 3hje n PHE 540 Cb 0.11 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 3hje n PHE 540 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 3hje n ASN 541 N -0.78 3.36 -4.58 4.37 0.23 -1.01 -5.00 115.26 111.85 3hje n ASN 541 Ca 0.18 -0.08 -0.43 0.00 -0.53 0.00 0.00 54.58 53.72 3hje n ASN 541 Cb 0.24 0.84 -0.03 0.00 -2.08 0.00 0.00 39.78 38.75 3hje n ASN 541 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3hje s ASN 542 N -1.51 6.55 0.29 0.53 3.84 0.32 -4.94 114.94 120.03 3hje s ASN 542 Ca 0.00 0.26 -0.00 0.00 0.21 0.00 0.00 52.86 53.33 3hje s ASN 542 Cb 0.00 -2.51 0.45 0.00 -0.55 0.00 0.00 41.25 38.64 3hje s ASN 542 CO 0.00 -1.21 1.85 -0.33 -2.79 0.00 0.00 177.10 174.63 3hje h GLU 543 N 9.22 0.80 -0.22 0.43 4.39 -1.89 -2.66 114.58 124.65 3hje h GLU 543 Ca -0.24 -0.15 -0.18 0.00 0.34 0.00 0.00 59.36 59.13 3hje h GLU 543 Cb 1.07 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 3hje h GLU 543 CO 1.10 0.70 -0.59 1.57 -1.16 0.00 0.00 179.01 180.63 3hje h LYS 544 N 0.78 0.73 -0.35 2.33 -0.00 -1.98 -2.48 116.57 115.60 3hje h LYS 544 Ca 0.18 -0.49 -0.01 0.00 -0.00 0.00 0.00 60.65 60.33 3hje h LYS 544 Cb 0.24 0.07 -0.02 0.00 -0.00 0.00 0.00 32.23 32.52 3hje h LYS 544 CO -0.01 1.11 0.17 0.35 -0.00 0.00 0.00 179.45 181.08 3hje h PHE 545 N 0.55 0.50 -0.71 0.07 3.57 -1.89 -2.21 116.94 116.83 3hje h PHE 545 Ca 0.00 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 3hje h PHE 545 Cb 1.18 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 3hje h PHE 545 CO 0.06 0.43 0.31 0.52 -2.23 0.00 0.00 178.31 177.40 3hje h MET 546 N 0.44 1.04 -0.30 1.11 2.86 -1.46 0.28 114.93 118.89 3hje h MET 546 Ca 0.12 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3hje h MET 546 Cb 0.11 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3hje h MET 546 CO -0.02 0.84 0.11 1.49 1.06 0.00 0.00 176.91 180.40 3hje h GLU 547 N 1.00 0.46 -0.12 1.72 4.81 -1.45 -0.47 114.58 120.53 3hje h GLU 547 Ca 0.24 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3hje h GLU 547 Cb 0.17 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3hje h GLU 547 CO -0.02 0.48 0.04 1.03 -0.73 0.00 0.00 179.01 179.81 3hje h SER 548 N 0.34 0.05 -0.21 1.04 0.87 -1.05 -2.91 113.55 111.67 3hje h SER 548 Ca 0.10 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3hje h SER 548 Cb 0.20 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3hje h SER 548 CO -0.01 0.05 0.11 0.15 -0.53 0.00 0.00 176.83 176.60 3hje h PHE 549 N 0.10 0.30 0.00 2.24 3.57 -0.34 -2.91 116.94 119.91 3hje h PHE 549 Ca 0.05 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3hje h PHE 549 Cb 0.03 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3hje h PHE 549 CO -0.10 0.30 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.07 3hje h LEU 550 N 0.22 0.00 -0.27 0.59 3.38 -1.07 0.36 115.31 118.54 3hje h LEU 550 Ca 0.07 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 3hje h LEU 550 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hje h LEU 550 CO -0.01 0.13 -0.36 -0.08 0.09 0.00 0.00 178.44 178.21 3hje h GLU 551 N 0.00 0.72 -0.26 1.13 4.81 -1.39 -1.46 114.58 118.13 3hje h GLU 551 Ca -0.00 -0.41 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 3hje h GLU 551 Cb 0.23 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3hje h GLU 551 CO 0.02 1.03 -0.15 0.35 -0.73 0.00 0.00 179.01 179.53 3hje h PHE 552 N 0.45 0.65 -0.14 0.92 3.57 -1.21 -3.32 116.94 117.87 3hje h PHE 552 Ca 0.03 -0.17 -0.09 0.00 3.53 0.00 0.00 57.97 61.27 3hje h PHE 552 Cb 0.95 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 3hje h PHE 552 CO 0.08 0.83 -0.31 1.49 -2.23 0.00 0.00 178.31 178.17 3hje h GLU 553 N 0.29 0.28 -0.93 1.11 4.57 -0.29 -2.28 114.58 117.32 3hje h GLU 553 Ca 0.05 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3hje h GLU 553 Cb 0.67 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.20 3hje h GLU 553 CO 0.04 0.56 0.61 0.77 -1.18 0.00 0.00 179.01 179.82 3hje h SER 554 N 0.24 1.03 0.04 1.04 0.02 -1.35 0.18 113.55 114.75 3hje h SER 554 Ca 0.03 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3hje h SER 554 Cb 0.67 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3hje h SER 554 CO 0.05 0.72 -0.02 0.11 -1.14 0.00 0.00 176.83 176.55 3hje h LYS 555 N 1.20 -0.05 -0.79 3.45 1.57 -1.55 -3.03 116.57 117.37 3hje h LYS 555 Ca 0.36 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 3hje h LYS 555 Cb -0.04 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 3hje h LYS 555 CO -0.10 0.30 0.40 0.82 -0.57 0.00 0.00 179.45 180.30 3hje h ILE 556 N -0.40 1.25 -0.06 1.86 1.08 -1.09 -1.44 117.51 118.70 3hje h ILE 556 Ca -0.01 -0.67 0.02 0.00 -0.39 0.00 0.00 64.86 63.82 3hje h ILE 556 Cb 0.37 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 3hje h ILE 556 CO 0.01 0.29 -0.06 -0.78 -0.69 0.00 0.00 178.15 176.91 3hje h ASP 557 N 1.12 -0.19 -0.12 1.72 3.58 -0.72 0.36 116.42 122.16 3hje h ASP 557 Ca 0.27 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.77 3hje h ASP 557 Cb 0.09 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 3hje h ASP 557 CO -0.04 -0.09 0.08 0.50 -2.88 0.00 0.00 179.24 176.81 3hje h LYS 558 N -0.08 0.16 -0.83 0.28 3.64 -1.37 -1.01 116.57 117.36 3hje h LYS 558 Ca 0.05 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3hje h LYS 558 Cb 0.15 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 3hje h LYS 558 CO -0.11 0.11 0.47 0.52 -2.27 0.00 0.00 179.45 178.17 3hje h MET 559 N 0.16 1.15 -0.66 1.90 2.86 -1.06 -2.38 114.93 116.90 3hje h MET 559 Ca 0.04 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3hje h MET 559 Cb -0.02 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.38 3hje h MET 559 CO -0.01 0.83 0.33 0.78 1.06 0.00 0.00 176.91 179.90 3hje h GLY 560 N 1.15 1.00 1.02 8.32 0.00 -0.08 -2.34 103.07 112.15 3hje h GLY 560 Ca 0.29 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3hje h GLY 560 CO -0.05 0.46 0.38 0.50 0.00 0.00 0.00 176.54 177.83 3hje h LYS 561 N 0.91 1.12 -0.11 4.80 1.57 -0.86 0.10 116.57 124.10 3hje h LYS 561 Ca 0.23 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hje h LYS 561 Cb 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3hje h LYS 561 CO -0.03 0.86 0.06 0.28 -0.57 0.00 0.00 179.45 180.05 3hje h VAL 562 N 1.10 1.08 -0.61 0.50 2.07 -1.33 -1.85 116.25 117.20 3hje h VAL 562 Ca 0.27 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3hje h VAL 562 Cb 0.11 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3hje h VAL 562 CO -0.03 0.07 0.25 0.11 0.02 0.00 0.00 177.57 177.99 3hje h LYS 563 N 0.08 0.92 -0.43 1.57 1.57 -1.20 -2.46 116.57 116.62 3hje h LYS 563 Ca 0.04 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3hje h LYS 563 Cb 0.07 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 3hje h LYS 563 CO -0.01 0.78 0.16 0.77 -0.57 0.00 0.00 179.45 180.58 3hje h SER 564 N 0.86 0.18 -0.79 0.86 0.02 -0.72 -0.25 113.55 113.71 3hje h SER 564 Ca 0.21 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 3hje h SER 564 Cb 0.20 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 3hje h SER 564 CO -0.02 0.14 0.37 -0.07 -1.14 0.00 0.00 176.83 176.12 3hje h LEU 565 N 0.33 1.04 -0.39 5.07 3.38 -1.12 -0.82 115.31 122.80 3hje h LEU 565 Ca 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hje h LEU 565 Cb 0.18 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hje h LEU 565 CO -0.19 0.88 0.26 0.28 0.09 0.00 0.00 178.44 179.76 3hje h SER 566 N 1.12 0.45 -0.55 -0.43 0.02 -1.14 -1.10 113.55 111.91 3hje h SER 566 Ca 0.27 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 3hje h SER 566 Cb 0.13 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3hje h SER 566 CO -0.03 0.33 0.35 0.25 -1.14 0.00 0.00 176.83 176.59 3hje h LEU 567 N 0.53 0.57 -0.24 5.07 5.85 -0.52 0.10 115.31 126.67 3hje h LEU 567 Ca 0.14 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3hje h LEU 567 Cb -0.05 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3hje h LEU 567 CO -0.03 0.41 0.11 0.58 -0.34 0.00 0.00 178.44 179.17 3hje h VAL 568 N 0.69 0.98 -0.40 1.05 2.07 -0.96 0.01 116.25 119.69 3hje h VAL 568 Ca 0.22 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.69 3hje h VAL 568 Cb -0.01 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3hje h VAL 568 CO -0.08 0.04 0.18 0.00 0.02 0.00 0.00 177.57 177.73 3hje h ALA 569 N 1.13 0.48 -0.76 1.67 0.00 -0.84 -1.40 119.26 119.54 3hje h ALA 569 Ca 0.10 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hje h ALA 569 Cb 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3hje h ALA 569 CO -0.08 -0.19 0.50 -0.07 0.00 0.00 0.00 179.25 179.41 3hje h LEU 570 N 0.37 0.86 -0.66 0.00 3.38 -0.60 -1.58 115.31 117.07 3hje h LEU 570 Ca 0.17 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3hje h LEU 570 Cb 0.11 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3hje h LEU 570 CO -0.14 0.62 0.35 0.50 0.09 0.00 0.00 178.44 179.86 3hje h LYS 571 N 1.02 0.93 0.00 1.13 3.64 -0.52 -1.64 116.57 121.12 3hje h LYS 571 Ca 0.29 -0.12 -0.20 0.00 -1.27 0.00 0.00 60.65 59.35 3hje h LYS 571 Cb -0.09 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.52 3hje h LYS 571 CO -0.07 0.71 -1.04 0.82 -2.27 0.00 0.00 179.45 177.60 3hje h ILE 572 N 0.91 1.42 0.00 2.00 2.04 -1.06 -3.37 117.51 119.44 3hje h ILE 572 Ca 0.23 -3.09 0.00 0.00 1.00 0.00 0.00 64.86 63.00 3hje h ILE 572 Cb 0.06 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 3hje h ILE 572 CO -0.04 0.81 -1.51 0.35 0.00 0.00 0.00 178.15 177.77 3hje n THR 573 N -3.27 0.00 -1.32 -0.27 -2.24 -0.61 -4.93 114.28 101.63 3hje n THR 573 Ca -0.02 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.18 3hje n THR 573 Cb 0.92 0.48 0.09 0.00 -2.10 0.00 0.00 70.33 69.71 3hje n THR 573 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hje s SER 574 N -3.76 4.50 0.97 3.42 0.01 -0.62 -4.95 113.70 113.27 3hje s SER 574 Ca -0.00 1.90 -0.12 0.00 1.31 0.00 0.00 55.95 59.03 3hje s SER 574 Cb 0.15 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.96 3hje s SER 574 CO 0.87 -2.04 0.77 -2.65 0.41 0.00 0.00 173.24 170.60 3hje n PRO 575 N -3.33 -0.64 0.00 12.44 -0.02 -1.26 -4.85 135.00 137.34 3hje n PRO 575 Ca 0.10 -0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3hje n PRO 575 Cb 0.53 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3hje n PRO 575 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hje n GLY 576 N 0.94 1.34 3.65 -1.23 0.00 -1.23 -4.88 105.19 103.78 3hje n GLY 576 Ca 0.08 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 3hje n GLY 576 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hje s VAL 577 N -1.85 5.24 -0.29 1.61 1.01 -0.39 -4.80 120.40 120.93 3hje s VAL 577 Ca 0.00 0.53 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 3hje s VAL 577 Cb 0.00 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3hje s VAL 577 CO 0.00 0.25 1.42 0.00 0.00 0.00 0.00 175.10 176.77 3hje s ALA 578 N 1.42 3.30 -0.12 5.51 0.00 -0.91 0.69 121.76 131.65 3hje s ALA 578 Ca 0.15 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.25 3hje s ALA 578 Cb -0.15 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 3hje s ALA 578 CO 0.08 -1.90 0.08 0.34 0.00 0.00 0.00 175.76 174.35 3hje s ASP 579 N 3.39 5.84 -0.13 0.00 2.15 -0.79 -0.73 116.67 126.41 3hje s ASP 579 Ca 0.62 0.28 0.01 0.00 0.43 0.00 0.00 52.55 53.89 3hje s ASP 579 Cb -0.19 -1.84 0.02 0.00 -0.30 0.00 0.00 42.92 40.61 3hje s ASP 579 CO 0.26 0.35 -0.14 -0.36 -0.17 0.00 0.00 175.17 175.11 3hje s PHE 580 N -0.72 2.04 0.29 -5.34 0.08 0.27 -4.48 117.98 110.13 3hje s PHE 580 Ca 0.12 -1.07 -0.29 0.00 0.12 0.00 0.00 56.93 55.81 3hje s PHE 580 Cb -0.12 -1.50 -0.10 0.00 -0.57 0.00 0.00 43.02 40.74 3hje s PHE 580 CO 0.03 -0.58 1.10 -0.47 -0.10 0.00 0.00 175.22 175.19 3hje s TYR 581 N 1.30 3.56 -0.03 0.36 5.04 -1.26 -0.39 117.35 125.92 3hje s TYR 581 Ca 0.00 1.70 -0.38 0.00 -2.44 0.00 0.00 57.07 55.95 3hje s TYR 581 Cb -0.14 -3.28 -0.17 0.00 0.35 0.00 0.00 41.96 38.73 3hje s TYR 581 CO -0.07 -0.56 1.43 0.00 -1.34 0.00 0.00 175.55 175.01 3hje n GLN 582 N 1.11 1.01 0.00 4.97 10.64 -0.59 -1.21 117.38 133.31 3hje n GLN 582 Ca -0.01 0.37 0.00 0.00 -1.83 0.00 0.00 57.00 55.53 3hje n GLN 582 Cb 0.45 -2.00 0.00 0.00 -0.86 0.00 0.00 30.24 27.83 3hje n GLN 582 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hje n GLY 583 N 2.90 2.13 0.09 2.61 0.00 -1.26 -4.91 105.19 106.76 3hje n GLY 583 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 3hje n GLY 583 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hje n LEU 584 N 0.00 0.27 0.27 0.99 7.99 -0.35 -1.79 117.00 124.37 3hje n LEU 584 Ca 0.00 -0.10 0.10 0.00 -0.01 0.00 0.00 56.01 56.00 3hje n LEU 584 Cb 0.00 -0.01 0.70 0.00 -0.11 0.00 0.00 43.42 44.00 3hje n LEU 584 CO 0.00 0.05 1.05 1.05 -1.51 0.00 0.00 177.39 178.03 3hje h GLU 585 N 0.38 0.00 -6.27 3.23 9.09 -1.91 -3.43 114.58 115.67 3hje h GLU 585 Ca 0.00 0.00 -0.46 0.00 0.05 0.00 0.00 59.36 58.95 3hje h GLU 585 Cb 0.08 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 3hje h GLU 585 CO 0.00 0.04 -0.38 -0.80 0.05 0.00 0.00 179.01 177.91 3hje s ASN 586 N -6.74 5.64 -0.09 3.06 0.02 -0.74 -1.00 114.94 115.10 3hje s ASN 586 Ca -0.05 -0.35 -0.29 0.00 -1.02 0.00 0.00 52.86 51.15 3hje s ASN 586 Cb 0.16 -1.08 -0.06 0.00 0.02 0.00 0.00 41.25 40.30 3hje s ASN 586 CO 0.63 -0.42 1.81 -0.36 0.02 0.00 0.00 177.10 178.78 3hje s PHE 587 N -2.25 1.70 -0.04 2.20 0.08 -1.26 -4.96 117.98 113.45 3hje s PHE 587 Ca 0.44 0.14 -0.01 0.00 0.12 0.00 0.00 56.93 57.62 3hje s PHE 587 Cb -0.08 -4.03 0.03 0.00 -0.57 0.00 0.00 43.02 38.37 3hje s PHE 587 CO 0.29 -4.14 0.02 0.50 -0.10 0.00 0.00 175.22 171.80 3hje s ARG 588 N 4.63 0.26 -0.49 0.44 3.52 -1.26 -5.05 118.95 120.99 3hje s ARG 588 Ca 0.81 0.18 -0.05 0.00 -0.13 0.00 0.00 55.73 56.53 3hje s ARG 588 Cb -0.34 -0.61 0.13 0.00 -1.56 0.00 0.00 34.95 32.57 3hje s ARG 588 CO 0.34 -0.24 0.32 0.71 -0.81 0.00 0.00 175.30 175.62 3hje s TYR 589 N 1.61 3.51 -0.04 5.12 2.02 -1.26 -4.36 117.35 123.95 3hje s TYR 589 Ca -0.02 -2.28 0.04 0.00 -0.37 0.00 0.00 57.07 54.45 3hje s TYR 589 Cb -0.13 -3.34 -0.03 0.00 -0.40 0.00 0.00 41.96 38.07 3hje s TYR 589 CO -0.03 -0.96 -0.16 -0.51 -1.57 0.00 0.00 175.55 172.32 3hje s LEU 590 N 0.93 2.62 0.00 -1.29 1.43 -1.26 -4.97 118.68 116.15 3hje s LEU 590 Ca 0.10 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3hje s LEU 590 Cb -0.23 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3hje s LEU 590 CO -0.03 0.34 0.00 0.18 0.23 0.00 0.00 176.35 177.07 3hje n LEU 591 N 2.29 0.00 -4.77 1.79 4.77 -1.26 -1.19 117.00 118.62 3hje n LEU 591 Ca -0.17 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.44 3hje n LEU 591 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 3hje n LEU 591 CO 0.25 -0.17 0.77 -0.89 -1.33 0.00 0.00 177.39 176.02 3hje s THR 592 N 1.38 3.52 -0.20 -5.08 2.01 -0.55 -3.26 115.64 113.45 3hje s THR 592 Ca 0.00 1.25 -0.31 0.00 0.31 0.00 0.00 61.69 62.94 3hje s THR 592 Cb 0.00 -3.69 -0.14 0.00 0.01 0.00 0.00 72.50 68.68 3hje s THR 592 CO 0.00 0.09 0.97 -0.67 -0.69 0.00 0.00 174.62 174.32 3hje n ASP 593 N 0.16 0.49 -0.22 3.53 2.03 -1.26 -0.44 116.55 120.84 3hje n ASP 593 Ca 0.04 0.83 0.14 0.00 0.52 0.00 0.00 54.79 56.32 3hje n ASP 593 Cb 0.48 -0.63 0.58 0.00 -0.72 0.00 0.00 41.12 40.82 3hje n ASP 593 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3hje n PRO 594 N 2.07 1.00 -0.19 -0.67 -0.04 -1.26 -4.91 135.00 130.99 3hje n PRO 594 Ca 0.19 -0.44 0.03 0.00 -0.04 0.00 0.00 63.50 63.23 3hje n PRO 594 Cb 0.00 -1.49 0.29 0.00 -0.04 0.00 0.00 33.50 32.26 3hje n PRO 594 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3hje h ASP 595 N 1.09 0.78 -0.03 3.54 3.58 -0.99 -1.57 116.42 122.82 3hje h ASP 595 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3hje h ASP 595 Cb 0.38 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.25 3hje h ASP 595 CO 0.00 0.55 0.00 -0.46 -2.88 0.00 0.00 179.24 176.45 3hje n ASN 596 N -4.45 0.25 -1.01 2.28 0.23 -1.20 -3.25 115.26 108.11 3hje n ASN 596 Ca 0.09 -1.56 0.12 0.00 -0.53 0.00 0.00 54.58 52.70 3hje n ASN 596 Cb 0.09 -0.02 0.13 0.00 -2.08 0.00 0.00 39.78 37.90 3hje n ASN 596 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3hje n ARG 597 N -0.58 2.38 -1.69 -3.83 5.12 -0.59 -4.93 116.66 112.54 3hje n ARG 597 Ca 0.12 -2.03 -0.41 0.00 -1.93 0.00 0.00 57.85 53.60 3hje n ARG 597 Cb 0.09 -1.48 0.01 0.00 -1.16 0.00 0.00 32.46 29.93 3hje n ARG 597 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hje n ARG 598 N 1.39 1.88 -1.68 5.56 1.74 -1.20 -4.86 116.66 119.49 3hje n ARG 598 Ca 0.15 0.67 -0.44 0.00 -0.77 0.00 0.00 57.85 57.46 3hje n ARG 598 Cb 0.60 -2.33 -0.02 0.00 -1.02 0.00 0.00 32.46 29.70 3hje n ARG 598 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3hje n PRO 599 N 0.13 2.05 -2.30 5.56 -0.02 -1.26 -4.96 135.00 134.21 3hje n PRO 599 Ca 0.07 0.73 -0.40 0.00 -2.02 0.00 0.00 63.50 61.87 3hje n PRO 599 Cb 0.39 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 3hje n PRO 599 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hje s VAL 600 N -0.53 3.12 0.06 -1.45 0.11 -1.26 -5.06 120.40 115.39 3hje s VAL 600 Ca 0.62 1.08 0.10 0.00 -2.93 0.00 0.00 61.98 60.85 3hje s VAL 600 Cb -0.62 -3.67 -0.03 0.00 -1.53 0.00 0.00 36.38 30.53 3hje s VAL 600 CO 0.55 0.23 -0.26 0.68 -3.33 0.00 0.00 175.10 172.97 3hje s VAL 601 N -1.21 2.16 -0.15 2.04 -7.23 -1.26 -5.09 120.40 109.66 3hje s VAL 601 Ca 0.49 -1.46 -0.03 0.00 -1.81 0.00 0.00 61.98 59.17 3hje s VAL 601 Cb -0.35 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 3hje s VAL 601 CO 0.45 0.32 -0.04 -0.36 -0.31 0.00 0.00 175.10 175.16 3hje s PHE 602 N -0.85 3.02 0.40 2.82 0.08 -1.26 -4.91 117.98 117.28 3hje s PHE 602 Ca 0.12 -0.27 0.08 0.00 0.12 0.00 0.00 56.93 56.97 3hje s PHE 602 Cb -0.10 -1.94 -0.06 0.00 -0.57 0.00 0.00 43.02 40.35 3hje s PHE 602 CO 0.03 -0.00 0.10 -1.12 -0.10 0.00 0.00 175.22 174.13 3hje s SER 603 N 0.25 4.23 0.23 1.36 0.01 -1.26 -5.12 113.70 113.41 3hje s SER 603 Ca -0.03 -1.14 -0.30 0.00 1.31 0.00 0.00 55.95 55.79 3hje s SER 603 Cb -0.14 -0.47 -0.09 0.00 0.21 0.00 0.00 66.02 65.53 3hje s SER 603 CO 0.03 -0.46 1.15 -1.61 0.41 0.00 0.00 173.24 172.76 3hje s GLU 604 N -3.82 4.56 0.24 12.44 2.02 -1.26 -5.02 118.70 127.87 3hje s GLU 604 Ca 0.38 1.85 -0.21 0.00 0.02 0.00 0.00 54.97 57.01 3hje s GLU 604 Cb 0.05 -3.21 -0.09 0.00 0.10 0.00 0.00 34.13 30.98 3hje s GLU 604 CO 0.21 0.06 0.78 -0.51 0.02 0.00 0.00 175.26 175.81 3hje s LEU 605 N -0.88 4.35 0.59 1.80 1.43 -1.26 -5.03 118.68 119.67 3hje s LEU 605 Ca 0.48 1.52 -0.20 0.00 -1.03 0.00 0.00 54.13 54.91 3hje s LEU 605 Cb -0.32 -3.68 -0.03 0.00 0.03 0.00 0.00 46.19 42.18 3hje s LEU 605 CO 0.39 0.01 1.30 -2.84 0.23 0.00 0.00 176.35 175.44 3hje s PRO 606 N -1.97 2.93 -0.08 1.29 0.02 -1.26 -4.96 135.00 130.97 3hje s PRO 606 Ca 0.44 2.07 0.16 0.00 0.02 0.00 0.00 61.00 63.69 3hje s PRO 606 Cb -0.17 -2.05 -0.23 0.00 0.02 0.00 0.00 34.50 32.06 3hje s PRO 606 CO 0.22 -1.30 0.24 1.63 -0.33 0.00 0.00 177.00 177.45 3hje n LYS 607 N -1.42 0.91 -3.93 5.54 4.76 -1.26 -4.85 118.16 117.90 3hje n LYS 607 Ca 0.13 -0.09 -0.09 0.00 -2.87 0.00 0.00 58.31 55.38 3hje n LYS 607 Cb 0.47 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 32.20 3hje n LYS 607 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3hje s ARG 608 N -2.84 1.39 0.18 1.97 1.70 -1.26 -5.14 118.95 114.95 3hje s ARG 608 Ca -0.07 -1.15 -0.30 0.00 -0.47 0.00 0.00 55.73 53.74 3hje s ARG 608 Cb 0.08 0.45 -0.08 0.00 -0.57 0.00 0.00 34.95 34.83 3hje s ARG 608 CO 0.68 -0.56 1.11 -0.47 -1.08 0.00 0.00 175.30 174.98 3hje s TYR 609 N -3.97 3.57 0.01 5.89 5.04 -1.26 -5.05 117.35 121.58 3hje s TYR 609 Ca 0.18 1.58 0.01 0.00 -2.44 0.00 0.00 57.07 56.40 3hje s TYR 609 Cb 0.01 -3.30 -0.01 0.00 0.35 0.00 0.00 41.96 39.01 3hje s TYR 609 CO 0.04 -0.68 -0.03 -1.21 -1.34 0.00 0.00 175.55 172.33 3hje s GLU 610 N -0.36 0.22 0.49 4.97 2.02 -1.26 -5.05 118.70 119.72 3hje s GLU 610 Ca 0.50 -0.28 0.14 0.00 0.02 0.00 0.00 54.97 55.34 3hje s GLU 610 Cb -0.30 -0.07 1.15 0.00 0.10 0.00 0.00 34.13 35.01 3hje s GLU 610 CO 0.35 0.01 2.11 1.05 0.02 0.00 0.00 175.26 178.81 3hje h GLU 611 N 5.53 0.17 0.00 1.61 4.11 -2.02 -2.03 114.58 121.94 3hje h GLU 611 Ca -0.28 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.14 3hje h GLU 611 Cb 1.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3hje h GLU 611 CO 0.47 0.11 0.00 0.41 0.07 0.00 0.00 179.01 180.07 3hje n GLY 612 N -1.52 -0.94 0.31 1.06 0.00 -1.26 -3.45 105.19 99.37 3hje n GLY 612 Ca -0.00 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 45.99 3hje n GLY 612 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hje h LEU 613 N 0.00 0.46 0.10 0.99 3.38 -1.77 -1.88 115.31 116.59 3hje h LEU 613 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hje h LEU 613 Cb 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hje h LEU 613 CO 0.00 0.34 -0.05 0.15 0.09 0.00 0.00 178.44 178.98 3hje h PHE 614 N 0.54 -0.12 -0.60 1.13 3.57 -1.80 -0.94 116.94 118.72 3hje h PHE 614 Ca 0.14 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3hje h PHE 614 Cb -0.04 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3hje h PHE 614 CO 0.00 0.23 0.20 -0.91 -2.23 0.00 0.00 178.31 175.60 3hje h ASN 615 N -0.50 0.86 0.11 0.41 2.35 -1.77 -2.75 115.58 114.28 3hje h ASN 615 Ca -0.01 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3hje h ASN 615 Cb 0.41 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3hje h ASN 615 CO 0.02 0.83 0.00 -0.46 -1.65 0.00 0.00 177.43 176.17 3hje n ASN 616 N -4.42 0.00 0.00 5.81 0.23 -0.72 -4.92 115.26 111.25 3hje n ASN 616 Ca 0.03 -0.83 0.00 0.00 -0.53 0.00 0.00 54.58 53.25 3hje n ASN 616 Cb 0.20 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 3hje n ASN 616 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hje n GLY 617 N 1.04 1.78 0.00 4.83 0.00 -0.80 -4.88 105.19 107.16 3hje n GLY 617 Ca 0.22 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.38 3hje n GLY 617 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hje n ARG 618 N -2.00 0.52 -0.30 1.61 1.74 -0.85 -3.74 116.66 113.62 3hje n ARG 618 Ca 0.00 0.02 0.02 0.00 -0.77 0.00 0.00 57.85 57.11 3hje n ARG 618 Cb 0.00 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.15 3hje n ARG 618 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3hje h ILE 619 N 0.00 1.15 -0.25 0.55 6.09 -1.50 -2.50 117.51 121.05 3hje h ILE 619 Ca 0.00 -0.38 -0.01 0.00 -1.37 0.00 0.00 64.86 63.09 3hje h ILE 619 Cb 0.20 -0.07 -0.01 0.00 0.47 0.00 0.00 36.82 37.41 3hje h ILE 619 CO 0.00 0.20 0.10 0.50 -3.07 0.00 0.00 178.15 175.89 3hje h LYS 620 N 1.12 0.38 -0.49 2.19 3.64 -1.81 0.31 116.57 121.91 3hje h LYS 620 Ca 0.36 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 3hje h LYS 620 Cb 0.03 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3hje h LYS 620 CO -0.11 0.41 0.32 0.00 -2.27 0.00 0.00 179.45 177.80 3hje h ALA 621 N 0.95 0.62 -0.22 5.00 0.00 -0.95 0.06 119.26 124.72 3hje h ALA 621 Ca 0.08 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hje h ALA 621 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hje h ALA 621 CO -0.01 0.06 0.10 -0.92 0.00 0.00 0.00 179.25 178.48 3hje h TYR 622 N 0.65 0.18 -0.41 0.00 3.20 -1.17 0.23 116.97 119.65 3hje h TYR 622 Ca 0.18 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3hje h TYR 622 Cb -0.07 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3hje h TYR 622 CO -0.04 0.10 0.24 0.28 -1.64 0.00 0.00 178.16 177.10 3hje h VAL 623 N 0.22 1.14 -0.07 1.81 2.07 -0.78 0.16 116.25 120.80 3hje h VAL 623 Ca 0.09 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3hje h VAL 623 Cb 0.04 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3hje h VAL 623 CO -0.08 0.14 -0.07 0.74 0.02 0.00 0.00 177.57 178.32 3hje h THR 624 N 0.53 0.79 0.09 2.57 2.02 -0.85 -0.97 112.91 117.10 3hje h THR 624 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.33 3hje h THR 624 Cb 0.01 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3hje h THR 624 CO -0.03 0.00 -0.08 0.50 0.37 0.00 0.00 175.52 176.28 3hje h LYS 625 N -0.10 -0.18 -0.58 6.66 3.64 -0.68 -0.30 116.57 125.03 3hje h LYS 625 Ca 0.05 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 3hje h LYS 625 Cb 0.17 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3hje h LYS 625 CO -0.13 -0.12 0.13 -0.39 -2.27 0.00 0.00 179.45 176.68 3hje h VAL 626 N -0.19 1.25 -0.19 2.00 -1.51 -0.83 -1.58 116.25 115.21 3hje h VAL 626 Ca 0.00 -0.91 -0.21 0.00 -1.23 0.00 0.00 66.70 64.35 3hje h VAL 626 Cb 0.17 0.72 0.01 0.00 -2.13 0.00 0.00 31.29 30.07 3hje h VAL 626 CO -0.02 0.34 -0.71 -0.07 -1.23 0.00 0.00 177.57 175.88 3hje h LEU 627 N 0.84 0.93 -0.91 4.19 3.38 -1.12 -0.83 115.31 121.79 3hje h LEU 627 Ca 0.18 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 3hje h LEU 627 Cb 0.36 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3hje h LEU 627 CO 0.00 1.37 0.27 -0.07 0.09 0.00 0.00 178.44 180.11 3hje h LEU 628 N 0.56 0.98 -0.76 1.67 3.38 -1.00 -0.49 115.31 119.65 3hje h LEU 628 Ca -0.03 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 3hje h LEU 628 Cb 1.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3hje h LEU 628 CO 0.15 0.88 -0.55 0.78 0.09 0.00 0.00 178.44 179.79 3hje h ASN 629 N 1.04 0.22 -0.13 -0.43 2.35 -1.22 -0.07 115.58 117.34 3hje h ASN 629 Ca 0.24 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3hje h ASN 629 Cb 0.22 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3hje h ASN 629 CO -0.02 0.73 0.05 0.25 -1.65 0.00 0.00 177.43 176.78 3hje h LEU 630 N 0.15 0.18 -0.50 1.61 5.85 -0.84 0.93 115.31 122.69 3hje h LEU 630 Ca 0.00 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.62 3hje h LEU 630 Cb 1.02 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 3hje h LEU 630 CO 0.08 0.32 0.10 -0.09 -0.34 0.00 0.00 178.44 178.51 3hje h ARG 631 N 0.04 0.23 -0.23 1.25 2.43 -0.84 -2.18 114.38 115.08 3hje h ARG 631 Ca 0.04 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3hje h ARG 631 Cb 0.20 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3hje h ARG 631 CO -0.00 0.15 0.04 -0.22 -1.51 0.00 0.00 179.97 178.43 3hje h LYS 632 N 0.24 0.39 0.00 0.20 3.64 -0.88 -3.07 116.57 117.09 3hje h LYS 632 Ca 0.25 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3hje h LYS 632 Cb 0.34 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3hje h LYS 632 CO -0.33 0.53 -0.11 0.66 -2.27 0.00 0.00 179.45 177.93 3hje h SER 633 N 0.19 0.00 -0.41 4.20 4.64 -0.56 -2.13 113.55 119.48 3hje h SER 633 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3hje h SER 633 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3hje h SER 633 CO 0.01 0.11 0.00 0.23 -0.87 0.00 0.00 176.83 176.31 3hje n MET 634 N -3.76 3.26 0.00 4.77 2.81 -0.84 -5.02 117.12 118.34 3hje n MET 634 Ca -0.02 -2.03 0.00 0.00 -1.81 0.00 0.00 57.70 53.84 3hje n MET 634 Cb 0.22 -1.86 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 3hje n MET 634 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3hje n LYS 635 N 0.55 0.00 -0.43 0.03 5.02 -0.80 -1.41 118.16 121.13 3hje n LYS 635 Ca 0.18 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.56 3hje n LYS 635 Cb 0.77 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 36.08 3hje n LYS 635 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3hje n ASP 636 N 9.37 3.77 -0.19 4.39 5.75 -1.26 -4.64 116.55 133.74 3hje n ASP 636 Ca 0.00 -2.19 -0.00 0.00 -0.01 0.00 0.00 54.79 52.59 3hje n ASP 636 Cb 0.00 -0.48 0.10 0.00 -1.03 0.00 0.00 41.12 39.71 3hje n ASP 636 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3hje h PHE 637 N 3.63 0.24 0.00 2.11 3.57 -1.54 -1.09 116.94 123.86 3hje h PHE 637 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3hje h PHE 637 Cb 1.06 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.78 3hje h PHE 637 CO 0.54 0.01 0.00 0.74 -2.23 0.00 0.00 178.31 177.37 3hje h PHE 638 N 0.29 0.00 0.01 0.41 0.04 -1.82 -0.49 116.94 115.38 3hje h PHE 638 Ca 0.30 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.07 3hje h PHE 638 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 3hje h PHE 638 CO -0.22 0.00 -0.01 0.82 -0.60 0.00 0.00 178.31 178.30 3hje h ILE 639 N 0.00 1.53 0.00 -0.55 1.08 -1.59 -3.35 117.51 114.62 3hje h ILE 639 Ca 0.00 -1.90 0.00 0.00 -0.39 0.00 0.00 64.86 62.57 3hje h ILE 639 Cb 0.56 2.77 0.00 0.00 -3.07 0.00 0.00 36.82 37.08 3hje h ILE 639 CO 0.00 0.47 -0.77 0.59 -0.69 0.00 0.00 178.15 177.75 3hje n ASN 640 N -4.70 0.86 -4.79 1.72 5.03 -0.52 -0.94 115.26 111.93 3hje n ASN 640 Ca -0.09 -0.64 -0.32 0.00 0.87 0.00 0.00 54.58 54.39 3hje n ASN 640 Cb 0.38 1.11 0.04 0.00 -1.02 0.00 0.00 39.78 40.29 3hje n ASN 640 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3hje s SER 641 N -2.41 5.38 0.56 6.41 1.04 -0.20 -4.74 113.70 119.74 3hje s SER 641 Ca 0.03 1.84 -0.20 0.00 0.48 0.00 0.00 55.95 58.09 3hje s SER 641 Cb 0.09 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.62 3hje s SER 641 CO 0.51 -1.44 1.05 -0.62 0.98 0.00 0.00 173.24 173.71 3hje n GLU 642 N -2.49 1.12 -3.90 4.02 -0.58 -1.26 -4.70 120.64 112.85 3hje n GLU 642 Ca 0.09 0.42 -0.35 0.00 -0.42 0.00 0.00 57.16 56.90 3hje n GLU 642 Cb 0.53 -2.22 -0.14 0.00 -0.57 0.00 0.00 31.44 29.04 3hje n GLU 642 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3hje s TYR 643 N -1.43 3.08 -0.37 -0.32 5.04 -1.26 -1.31 117.35 120.78 3hje s TYR 643 Ca 0.73 -1.35 0.03 0.00 -2.44 0.00 0.00 57.07 54.04 3hje s TYR 643 Cb -0.44 -2.12 0.11 0.00 0.35 0.00 0.00 41.96 39.86 3hje s TYR 643 CO 0.49 -0.67 0.11 0.15 -1.34 0.00 0.00 175.55 174.29 3hje s LYS 644 N 1.38 1.39 0.43 4.97 1.02 -0.09 -4.94 119.74 123.91 3hje s LYS 644 Ca 0.01 -1.85 -0.24 0.00 0.02 0.00 0.00 55.97 53.91 3hje s LYS 644 Cb -0.17 -2.92 -0.10 0.00 -0.52 0.00 0.00 37.83 34.12 3hje s LYS 644 CO -0.02 -0.99 1.08 -2.30 -0.92 0.00 0.00 175.35 172.19 3hje n PRO 645 N 4.13 1.47 -3.96 -1.68 -0.02 -1.26 -0.58 135.00 133.09 3hje n PRO 645 Ca 0.03 0.53 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 3hje n PRO 645 Cb 0.40 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 3hje n PRO 645 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hje s LEU 646 N -0.90 4.21 -0.42 2.45 1.43 -0.48 -4.81 118.68 120.16 3hje s LEU 646 Ca 0.63 0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.77 3hje s LEU 646 Cb -0.54 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.11 3hje s LEU 646 CO 0.57 0.24 0.70 -0.54 0.23 0.00 0.00 176.35 177.55 3hje s LYS 647 N -2.03 3.45 0.17 1.70 1.02 -1.26 -4.63 119.74 118.15 3hje s LYS 647 Ca 0.28 -0.14 0.04 0.00 0.02 0.00 0.00 55.97 56.17 3hje s LYS 647 Cb -0.12 -3.90 -0.05 0.00 -0.52 0.00 0.00 37.83 33.24 3hje s LYS 647 CO 0.19 -0.97 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.07 3hje s LEU 648 N 2.97 2.44 0.83 3.17 1.43 -1.26 -5.11 118.68 123.16 3hje s LEU 648 Ca 0.26 -1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.19 3hje s LEU 648 Cb -0.13 -0.32 0.09 0.00 0.03 0.00 0.00 46.19 45.86 3hje s LEU 648 CO 0.19 -0.38 1.11 0.00 0.23 0.00 0.00 176.35 177.50 3hje s GLN 649 N -3.78 1.74 0.29 1.70 -2.07 -1.26 -4.87 119.66 111.41 3hje s GLN 649 Ca 0.19 1.24 -0.30 0.00 -1.82 0.00 0.00 55.36 54.67 3hje s GLN 649 Cb 0.03 -1.83 -0.12 0.00 -1.09 0.00 0.00 33.01 30.00 3hje s GLN 649 CO 0.02 -2.03 1.51 1.63 -1.32 0.00 0.00 175.29 175.11 3hje n LYS 650 N -3.79 2.50 -0.00 9.60 4.76 -1.26 -1.73 118.16 128.23 3hje n LYS 650 Ca 0.10 0.89 0.00 0.00 -2.87 0.00 0.00 58.31 56.42 3hje n LYS 650 Cb 0.53 -2.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.10 3hje n LYS 650 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hje n GLY 651 N 1.85 0.57 3.44 0.72 0.00 -1.26 -5.02 105.19 105.49 3hje n GLY 651 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3hje n GLY 651 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hje s LEU 652 N 0.00 2.56 -0.03 0.99 1.43 -0.71 -0.65 118.68 122.28 3hje s LEU 652 Ca 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3hje s LEU 652 Cb 0.00 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.75 3hje s LEU 652 CO 0.00 0.27 -0.00 0.00 0.23 0.00 0.00 176.35 176.84 3hje s GLY 654 N 0.88 -0.29 0.09 0.00 0.00 -1.26 -0.87 107.32 105.87 3hje s GLY 654 Ca -0.09 0.04 -0.26 0.00 0.00 0.00 0.00 44.72 44.42 3hje s GLY 654 CO -0.02 -0.22 0.83 -0.11 0.00 0.00 0.00 173.10 173.59 3hje s PHE 655 N -3.55 -0.32 0.04 1.90 -0.12 -0.26 -1.39 117.98 114.28 3hje s PHE 655 Ca 0.01 0.11 0.02 0.00 -0.05 0.00 0.00 56.93 57.02 3hje s PHE 655 Cb 0.01 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 3hje s PHE 655 CO -0.10 -0.73 0.08 -1.64 -0.05 0.00 0.00 175.22 172.77 3hje s MET 656 N -3.35 2.95 -0.26 1.99 -1.94 0.25 -0.76 119.30 118.18 3hje s MET 656 Ca 0.06 -0.61 -0.07 0.00 -1.71 0.00 0.00 55.69 53.37 3hje s MET 656 Cb -0.01 -2.77 -0.02 0.00 2.01 0.00 0.00 34.83 34.03 3hje s MET 656 CO -0.06 0.60 0.07 1.03 -0.01 0.00 0.00 175.02 176.65 3hje s ARG 657 N -2.09 3.53 3.68 2.03 1.81 -0.06 -0.92 118.95 126.93 3hje s ARG 657 Ca 0.26 -0.56 0.00 0.00 -1.72 0.00 0.00 55.73 53.71 3hje s ARG 657 Cb -0.12 -3.32 0.00 0.00 -0.45 0.00 0.00 34.95 31.06 3hje s ARG 657 CO 0.18 -0.24 0.00 0.41 -0.68 0.00 0.00 175.30 174.97 3hje n GLY 658 N 4.91 2.29 1.17 -3.53 0.00 -0.42 -2.44 105.19 107.17 3hje n GLY 658 Ca -0.16 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.58 3hje n GLY 658 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hje n ASP 659 N -0.24 4.13 -0.02 1.61 8.00 -1.26 -4.70 116.55 124.08 3hje n ASP 659 Ca 0.00 -3.09 -0.03 0.00 0.71 0.00 0.00 54.79 52.38 3hje n ASP 659 Cb 0.00 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.48 3hje n ASP 659 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3hje n LYS 660 N -0.37 1.27 -4.45 -1.24 3.00 -1.04 -4.83 118.16 110.50 3hje n LYS 660 Ca 0.25 0.02 -0.28 0.00 -0.00 0.00 0.00 58.31 58.30 3hje n LYS 660 Cb 1.00 -1.09 -0.17 0.00 0.00 0.00 0.00 35.03 34.78 3hje n LYS 660 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3hje s VAL 661 N -2.08 1.46 -0.20 3.15 1.01 -1.02 -1.03 120.40 121.68 3hje s VAL 661 Ca -0.04 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 3hje s VAL 661 Cb 0.01 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 3hje s VAL 661 CO 0.11 0.43 -0.03 -0.22 0.00 0.00 0.00 175.10 175.40 3hje s LEU 662 N 0.99 3.04 -0.17 3.92 2.96 0.13 -0.88 118.68 128.67 3hje s LEU 662 Ca -0.07 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 3hje s LEU 662 Cb -0.15 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.78 3hje s LEU 662 CO -0.01 0.03 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.19 3hje s VAL 663 N 1.19 2.46 -0.06 1.68 1.01 0.06 -0.14 120.40 126.61 3hje s VAL 663 Ca 0.03 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 3hje s VAL 663 Cb -0.14 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3hje s VAL 663 CO -0.00 0.52 -0.01 -0.63 0.00 0.00 0.00 175.10 174.97 3hje s ILE 664 N 1.02 0.42 0.12 2.22 1.01 -0.17 -1.10 121.20 124.72 3hje s ILE 664 Ca -0.01 0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.75 3hje s ILE 664 Cb -0.15 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 3hje s ILE 664 CO -0.04 0.24 -0.19 0.68 0.00 0.00 0.00 174.94 175.63 3hje s VAL 665 N 1.57 1.64 -0.18 2.92 -7.23 -0.05 -0.68 120.40 118.39 3hje s VAL 665 Ca -0.01 -1.63 -0.22 0.00 -1.81 0.00 0.00 61.98 58.30 3hje s VAL 665 Cb -0.13 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 3hje s VAL 665 CO -0.03 -0.18 0.69 -0.54 -0.31 0.00 0.00 175.10 174.73 3hje s LYS 666 N -2.19 4.26 0.02 4.82 1.02 -1.26 -1.36 119.74 125.05 3hje s LYS 666 Ca 0.08 0.75 0.23 0.00 0.02 0.00 0.00 55.97 57.05 3hje s LYS 666 Cb -0.08 -3.56 0.01 0.00 -0.52 0.00 0.00 37.83 33.68 3hje s LYS 666 CO 0.05 -0.23 1.01 0.25 -0.92 0.00 0.00 175.35 175.51 3hje n THR 667 N 4.60 0.09 -4.40 2.17 -2.24 0.18 -4.70 114.28 109.97 3hje n THR 667 Ca 0.00 -0.16 -0.23 0.00 -2.27 0.00 0.00 64.05 61.39 3hje n THR 667 Cb 0.50 0.41 -0.13 0.00 -2.10 0.00 0.00 70.33 69.00 3hje n THR 667 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hje s LEU 668 N -3.59 2.22 -1.33 3.22 1.43 -1.21 -4.68 118.68 114.73 3hje s LEU 668 Ca 0.05 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.44 3hje s LEU 668 Cb 0.15 -0.78 0.09 0.00 0.03 0.00 0.00 46.19 45.68 3hje s LEU 668 CO 0.81 0.07 1.86 0.59 0.23 0.00 0.00 176.35 179.91 3hje n ASN 669 N 1.60 4.67 -4.26 2.29 3.02 -1.26 -4.90 115.26 116.42 3hje n ASN 669 Ca -0.19 -2.93 -0.14 0.00 -0.03 0.00 0.00 54.58 51.29 3hje n ASN 669 Cb 0.54 -1.66 -0.10 0.00 -0.61 0.00 0.00 39.78 37.95 3hje n ASN 669 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hje s ARG 670 N 2.95 1.21 0.02 3.52 0.52 -1.26 -5.14 118.95 120.77 3hje s ARG 670 Ca 0.48 -1.61 -0.27 0.00 -0.52 0.00 0.00 55.73 53.80 3hje s ARG 670 Cb 0.07 -0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.28 3hje s ARG 670 CO 0.00 -0.21 0.87 -0.51 0.02 0.00 0.00 175.30 175.48 3hje s ASP 671 N -3.21 7.28 0.00 0.23 1.01 -1.26 -4.99 116.67 115.73 3hje s ASP 671 Ca 0.29 1.54 0.00 0.00 0.71 0.00 0.00 52.55 55.10 3hje s ASP 671 Cb 0.07 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.48 3hje s ASP 671 CO 0.08 -0.13 -0.02 -0.31 0.21 0.00 0.00 175.17 175.00 3hje s TYR 672 N 0.51 0.17 -0.04 4.23 2.02 -1.26 -5.08 117.35 117.89 3hje s TYR 672 Ca 0.45 -0.11 0.05 0.00 -0.37 0.00 0.00 57.07 57.09 3hje s TYR 672 Cb -0.21 -0.11 -0.01 0.00 -0.40 0.00 0.00 41.96 41.24 3hje s TYR 672 CO 0.25 -0.03 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.49 3hje s ASP 673 N -0.28 2.48 0.04 2.29 1.01 -1.26 -1.21 116.67 119.73 3hje s ASP 673 Ca -0.02 -0.41 0.09 0.00 0.71 0.00 0.00 52.55 52.92 3hje s ASP 673 Cb -0.02 -0.64 -0.03 0.00 1.01 0.00 0.00 42.92 43.24 3hje s ASP 673 CO -0.00 0.19 -0.25 -0.51 0.21 0.00 0.00 175.17 174.81 3hje s ILE 674 N -0.09 2.21 -0.14 0.77 1.10 0.59 -4.94 121.20 120.71 3hje s ILE 674 Ca -0.02 -1.33 -0.17 0.00 -0.51 0.00 0.00 60.65 58.62 3hje s ILE 674 Cb -0.12 -1.86 -0.04 0.00 0.15 0.00 0.00 42.46 40.59 3hje s ILE 674 CO 0.02 0.39 0.41 -1.61 -2.11 0.00 0.00 174.94 172.05 3hje s GLU 675 N -1.18 4.30 0.01 3.50 0.41 -1.26 0.37 118.70 124.86 3hje s GLU 675 Ca 0.12 0.32 0.05 0.00 -0.41 0.00 0.00 54.97 55.04 3hje s GLU 675 Cb -0.10 -3.44 -0.03 0.00 -1.78 0.00 0.00 34.13 28.77 3hje s GLU 675 CO 0.02 0.16 -0.12 0.96 -0.49 0.00 0.00 175.26 175.79 3hje s ILE 676 N 0.65 3.26 -0.24 -1.63 -4.36 0.90 -4.99 121.20 114.79 3hje s ILE 676 Ca 0.22 -0.92 -0.25 0.00 -0.26 0.00 0.00 60.65 59.44 3hje s ILE 676 Cb -0.14 -2.39 -0.00 0.00 1.25 0.00 0.00 42.46 41.17 3hje s ILE 676 CO 0.08 0.39 0.84 -1.81 0.24 0.00 0.00 174.94 174.68 3hje s ASP 677 N -1.35 6.84 0.48 4.36 1.01 -1.26 -3.80 116.67 122.95 3hje s ASP 677 Ca 0.16 1.05 0.00 0.00 0.71 0.00 0.00 52.55 54.47 3hje s ASP 677 Cb -0.11 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.38 3hje s ASP 677 CO 0.06 -0.53 0.00 0.61 0.21 0.00 0.00 175.17 175.52 3hje n GLY 678 N 3.73 -0.84 3.79 0.21 0.00 -1.26 -4.91 105.19 105.91 3hje n GLY 678 Ca 0.06 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 3hje n GLY 678 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hje s GLU 679 N 0.00 2.99 0.06 1.61 2.02 -1.26 -4.28 118.70 119.84 3hje s GLU 679 Ca 0.00 -0.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.37 3hje s GLU 679 Cb 0.00 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 3hje s GLU 679 CO 0.00 0.60 0.02 0.71 0.02 0.00 0.00 175.26 176.62 3hje s TYR 680 N -1.31 0.47 -0.21 1.61 2.02 -0.55 -4.74 117.35 114.64 3hje s TYR 680 Ca 0.27 -0.98 -0.07 0.00 -0.37 0.00 0.00 57.07 55.91 3hje s TYR 680 Cb -0.12 -0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 41.07 3hje s TYR 680 CO 0.19 -0.43 0.07 0.99 -1.57 0.00 0.00 175.55 174.80 3hje s THR 681 N -3.92 4.65 -0.35 -0.71 2.01 -0.35 -0.09 115.64 116.89 3hje s THR 681 Ca 0.08 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 3hje s THR 681 Cb 0.07 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.47 3hje s THR 681 CO -0.09 0.41 1.21 -0.62 -0.69 0.00 0.00 174.62 174.83 3hje s ASP 682 N 0.83 6.72 0.41 3.53 -1.08 0.26 -0.99 116.67 126.35 3hje s ASP 682 Ca 0.04 0.97 0.21 0.00 -0.52 0.00 0.00 52.55 53.25 3hje s ASP 682 Cb -0.14 -2.54 0.84 0.00 -1.46 0.00 0.00 42.92 39.62 3hje s ASP 682 CO 0.02 -1.09 1.80 -0.37 0.52 0.00 0.00 175.17 176.06 3hje h VAL 683 N 5.99 0.73 0.09 1.11 -1.51 -1.64 0.33 116.25 121.35 3hje h VAL 683 Ca -0.24 -1.27 -0.00 0.00 -1.23 0.00 0.00 66.70 63.96 3hje h VAL 683 Cb 1.08 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.05 3hje h VAL 683 CO 1.06 0.29 -0.04 0.40 -1.23 0.00 0.00 177.57 178.04 3hje h ILE 684 N 0.00 1.01 0.00 7.19 2.04 -1.92 -3.36 117.51 122.48 3hje h ILE 684 Ca -0.00 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.44 3hje h ILE 684 Cb 0.78 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3hje h ILE 684 CO 0.04 0.29 -0.30 0.71 0.00 0.00 0.00 178.15 178.89 3hje h THR 685 N -0.88 0.00 -3.02 -0.27 1.35 -1.95 -3.42 112.91 104.71 3hje h THR 685 Ca -0.01 -0.60 -0.38 0.00 -0.55 0.00 0.00 66.41 64.87 3hje h THR 685 Cb 0.57 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3hje h THR 685 CO 0.02 0.00 -0.51 -0.67 -0.25 0.00 0.00 175.52 174.11 3hje n ASP 686 N -2.36 -5.60 -4.77 5.36 2.03 0.12 -4.93 116.55 106.39 3hje n ASP 686 Ca 0.04 -0.07 -0.34 0.00 0.52 0.00 0.00 54.79 54.94 3hje n ASP 686 Cb 0.46 -4.59 -0.08 0.00 -0.72 0.00 0.00 41.12 36.19 3hje n ASP 686 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3hje s GLU 687 N -5.09 3.11 -0.21 -0.67 0.41 -1.19 -4.88 118.70 110.18 3hje s GLU 687 Ca 0.05 -0.40 -0.27 0.00 -0.41 0.00 0.00 54.97 53.95 3hje s GLU 687 Cb -0.02 -2.90 -0.00 0.00 -1.78 0.00 0.00 34.13 29.42 3hje s GLU 687 CO 0.07 0.69 0.94 0.99 -0.49 0.00 0.00 175.26 177.45 3hje s THR 688 N -1.07 4.77 0.12 3.63 2.01 -1.26 -0.57 115.64 123.26 3hje s THR 688 Ca 0.19 1.83 0.08 0.00 0.31 0.00 0.00 61.69 64.10 3hje s THR 688 Cb -0.12 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 3hje s THR 688 CO 0.09 -0.09 -0.16 0.68 -0.69 0.00 0.00 174.62 174.45 3hje s VAL 689 N 2.78 2.99 0.07 3.82 -7.23 0.88 -4.97 120.40 118.73 3hje s VAL 689 Ca 0.41 -1.45 -0.17 0.00 -1.81 0.00 0.00 61.98 58.96 3hje s VAL 689 Cb -0.16 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.43 3hje s VAL 689 CO 0.09 0.09 0.39 0.00 -0.31 0.00 0.00 175.10 175.36 3hje s ARG 690 N -2.19 0.96 7.85 4.82 1.70 -1.26 -1.48 118.95 129.35 3hje s ARG 690 Ca 0.19 -0.51 0.00 0.00 -0.47 0.00 0.00 55.73 54.94 3hje s ARG 690 Cb -0.11 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 3hje s ARG 690 CO 0.11 -0.34 0.00 0.41 -1.08 0.00 0.00 175.30 174.40 3hje n GLY 691 N 0.25 3.56 3.63 3.88 0.00 -1.25 -4.58 105.19 110.68 3hje n GLY 691 Ca -0.18 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 3hje n GLY 691 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hje s ARG 692 N 0.00 4.08 -0.10 1.61 3.52 -1.26 -0.07 118.95 126.73 3hje s ARG 692 Ca 0.00 0.63 0.02 0.00 -0.13 0.00 0.00 55.73 56.25 3hje s ARG 692 Cb 0.00 -3.67 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 3hje s ARG 692 CO 0.00 -0.50 -0.19 0.08 -0.81 0.00 0.00 175.30 173.88 3hje s VAL 693 N 2.68 2.57 0.18 7.11 1.01 0.16 -4.94 120.40 129.17 3hje s VAL 693 Ca 0.29 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 3hje s VAL 693 Cb -0.15 -2.03 -0.07 0.00 0.00 0.00 0.00 36.38 34.13 3hje s VAL 693 CO 0.09 0.55 1.03 -0.75 0.00 0.00 0.00 175.10 176.02 3hje s LYS 694 N 0.20 4.68 -0.56 2.72 2.20 -1.26 -0.30 119.74 127.42 3hje s LYS 694 Ca -0.11 1.60 -0.17 0.00 -0.36 0.00 0.00 55.97 56.93 3hje s LYS 694 Cb -0.16 -3.30 0.12 0.00 -1.51 0.00 0.00 37.83 32.98 3hje s LYS 694 CO 0.06 0.21 0.56 0.08 -0.36 0.00 0.00 175.35 175.90 3hje s VAL 695 N -0.41 5.09 0.00 4.02 1.01 -0.35 -4.94 120.40 124.82 3hje s VAL 695 Ca 0.47 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3hje s VAL 695 Cb -0.27 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 31.72 3hje s VAL 695 CO 0.33 -0.95 0.00 -0.67 0.00 0.00 0.00 175.10 173.81 3hje n ASP 696 N 5.58 0.00 0.02 3.32 2.03 -1.26 -4.11 116.55 122.13 3hje n ASP 696 Ca -0.13 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.30 3hje n ASP 696 Cb 0.41 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.00 3hje n ASP 696 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3hje n LYS 697 N 0.00 0.13 -4.19 -0.67 5.02 -1.26 -4.94 118.16 112.26 3hje n LYS 697 Ca 0.00 0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.02 3hje n LYS 697 Cb 0.00 -1.57 -0.09 0.00 -0.02 0.00 0.00 35.03 33.35 3hje n LYS 697 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hje s LEU 698 N -3.52 3.20 0.75 -0.35 1.43 -1.26 -4.65 118.68 114.28 3hje s LEU 698 Ca 0.08 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 3hje s LEU 698 Cb 0.16 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 44.45 3hje s LEU 698 CO 0.72 0.18 1.11 -2.16 0.23 0.00 0.00 176.35 176.43 3hje s PRO 699 N -2.24 2.30 -0.35 1.29 0.04 -1.26 -4.86 135.00 129.91 3hje s PRO 699 Ca 0.23 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 62.48 3hje s PRO 699 Cb -0.11 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.56 3hje s PRO 699 CO 0.15 -1.63 0.17 -0.51 0.04 0.00 0.00 177.00 175.22 3hje s LEU 700 N -5.62 4.49 -0.35 -3.56 1.43 0.14 -4.94 118.68 110.27 3hje s LEU 700 Ca 0.64 -0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3hje s LEU 700 Cb -0.19 -1.97 0.08 0.00 0.03 0.00 0.00 46.19 44.13 3hje s LEU 700 CO 0.51 -0.33 0.10 -0.63 0.23 0.00 0.00 176.35 176.22 3hje s ILE 701 N 1.52 3.13 -0.16 -0.59 -1.09 -1.26 -1.00 121.20 121.75 3hje s ILE 701 Ca 0.02 -1.72 -0.01 0.00 -2.23 0.00 0.00 60.65 56.71 3hje s ILE 701 Cb -0.19 -2.98 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 3hje s ILE 701 CO 0.05 -0.40 -0.12 -0.76 -1.23 0.00 0.00 174.94 172.48 3hje s LEU 702 N 1.19 2.65 -0.11 2.97 1.43 0.81 -1.69 118.68 125.93 3hje s LEU 702 Ca 0.02 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.71 3hje s LEU 702 Cb -0.21 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3hje s LEU 702 CO -0.03 0.09 -0.10 -0.69 0.23 0.00 0.00 176.35 175.86 3hje s VAL 703 N 0.80 3.40 -2.00 -1.59 1.01 -0.16 0.22 120.40 122.08 3hje s VAL 703 Ca -0.05 -0.56 0.16 0.00 0.00 0.00 0.00 61.98 61.54 3hje s VAL 703 Cb -0.15 -2.42 0.45 0.00 0.00 0.00 0.00 36.38 34.26 3hje s VAL 703 CO 0.01 0.54 1.36 0.29 0.00 0.00 0.00 175.10 177.30