#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxm s TYR 3 N 0.00 3.52 -0.09 0.00 6.14 -1.26 -1.75 117.35 123.90 3dxm s TYR 3 Ca 0.00 0.55 -0.05 0.00 0.64 0.00 0.00 57.07 58.21 3dxm s TYR 3 Cb 0.00 -1.99 0.04 0.00 0.42 0.00 0.00 41.96 40.43 3dxm s TYR 3 CO 0.00 0.50 0.21 -1.58 0.64 0.00 0.00 175.55 175.33 3dxm s HIS 4 N -1.53 -0.27 -0.36 4.97 5.65 -0.56 -4.99 115.29 118.21 3dxm s HIS 4 Ca 0.36 0.67 -0.14 0.00 0.25 0.00 0.00 55.06 56.20 3dxm s HIS 4 Cb -0.13 0.02 -0.01 0.00 -1.18 0.00 0.00 32.58 31.29 3dxm s HIS 4 CO 0.22 -0.19 0.28 0.45 -0.65 0.00 0.00 174.74 174.85 3dxm s SER 5 N 0.99 6.10 0.11 9.88 0.15 -1.26 -0.26 113.70 129.40 3dxm s SER 5 Ca -0.07 -0.49 0.13 0.00 0.70 0.00 0.00 55.95 56.22 3dxm s SER 5 Cb -0.09 -2.16 -0.12 0.00 -1.71 0.00 0.00 66.02 61.94 3dxm s SER 5 CO -0.06 -0.31 1.07 -0.26 1.20 0.00 0.00 173.24 174.88 3dxm h PHE 6 N 8.52 0.00 -2.33 3.44 -1.00 -1.60 -3.49 116.94 120.48 3dxm h PHE 6 Ca -0.30 0.00 0.22 0.00 2.81 0.00 0.00 57.97 60.70 3dxm h PHE 6 Cb 1.15 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.65 3dxm h PHE 6 CO 0.64 0.75 0.68 -0.48 -1.61 0.00 0.00 178.31 178.30 3dxm s LEU 7 N -6.25 -0.01 0.00 1.54 2.34 -1.13 -5.05 118.68 110.12 3dxm s LEU 7 Ca -0.00 -0.49 0.22 0.00 0.06 0.00 0.00 54.13 53.92 3dxm s LEU 7 Cb 0.09 1.83 -0.03 0.00 -0.56 0.00 0.00 46.19 47.51 3dxm s LEU 7 CO 0.80 -0.75 1.04 1.33 -1.06 0.00 0.00 176.35 177.72 3dxm n VAL 8 N -0.72 0.00 -3.08 1.48 0.24 -1.26 -4.12 118.33 110.86 3dxm n VAL 8 Ca -0.02 -0.07 -0.19 0.00 -2.04 0.00 0.00 64.34 62.02 3dxm n VAL 8 Cb 0.60 0.95 0.01 0.00 -1.47 0.00 0.00 33.84 33.92 3dxm n VAL 8 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3dxm s GLU 9 N -2.84 2.90 0.61 7.34 2.02 -1.26 -4.53 118.70 122.94 3dxm s GLU 9 Ca 0.12 -0.96 -0.19 0.00 0.02 0.00 0.00 54.97 53.96 3dxm s GLU 9 Cb 0.17 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 3dxm s GLU 9 CO 0.75 -0.25 1.17 -2.30 0.02 0.00 0.00 175.26 174.66 3dxm n PRO 10 N -1.92 1.13 -3.48 0.39 -0.02 -1.16 -2.50 135.00 127.45 3dxm n PRO 10 Ca 0.04 0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 3dxm n PRO 10 Cb 0.59 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 31.59 3dxm n PRO 10 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dxm s ILE 11 N -1.41 4.93 0.22 4.25 1.01 -0.90 -2.13 121.20 127.16 3dxm s ILE 11 Ca 0.78 -1.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 3dxm s ILE 11 Cb -0.40 -3.90 0.18 0.00 0.01 0.00 0.00 42.46 38.35 3dxm s ILE 11 CO 0.45 -0.47 1.83 0.28 0.00 0.00 0.00 174.94 177.02 3dxm h SER 12 N 8.61 1.10 -4.95 3.58 0.02 -1.50 -3.42 113.55 116.99 3dxm h SER 12 Ca -0.27 -0.12 0.11 0.00 -0.84 0.00 0.00 61.79 60.67 3dxm h SER 12 Cb 1.10 -0.28 -0.11 0.00 0.14 0.00 0.00 62.40 63.25 3dxm h SER 12 CO 0.80 0.91 0.43 0.00 -1.14 0.00 0.00 176.83 177.82 3dxm s HIS 14 N -3.34 0.55 -0.27 0.00 -0.00 -1.26 -2.55 115.29 108.42 3dxm s HIS 14 Ca 0.07 -0.89 -0.23 0.00 -0.00 0.00 0.00 55.06 54.02 3dxm s HIS 14 Cb -0.02 -0.11 0.07 0.00 -0.00 0.00 0.00 32.58 32.53 3dxm s HIS 14 CO -0.05 -0.76 0.71 0.00 -0.00 0.00 0.00 174.74 174.65 3dxm s ALA 15 N -4.02 -1.81 0.11 -1.38 0.00 -0.62 -4.73 121.76 109.32 3dxm s ALA 15 Ca 0.23 2.13 0.05 0.00 0.00 0.00 0.00 51.96 54.37 3dxm s ALA 15 Cb 0.03 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 3dxm s ALA 15 CO 0.04 -0.35 0.04 -1.58 0.00 0.00 0.00 175.76 173.92 3dxm s TRP 16 N 0.71 3.05 0.98 0.00 0.52 -1.26 -0.32 118.94 122.62 3dxm s TRP 16 Ca -0.03 -0.01 -0.16 0.00 0.02 0.00 0.00 56.10 55.92 3dxm s TRP 16 Cb -0.05 -1.54 0.20 0.00 -1.15 0.00 0.00 33.47 30.93 3dxm s TRP 16 CO -0.04 0.50 1.29 0.54 0.02 0.00 0.00 176.95 179.25 3dxm s ASN 17 N -2.54 2.95 0.16 2.95 4.22 -0.88 -4.62 114.94 117.19 3dxm s ASN 17 Ca 0.28 0.36 -0.19 0.00 -2.14 0.00 0.00 52.86 51.17 3dxm s ASN 17 Cb -0.11 -0.46 0.07 0.00 1.28 0.00 0.00 41.25 42.03 3dxm s ASN 17 CO 0.20 -2.84 1.65 0.50 -2.04 0.00 0.00 177.10 174.57 3dxm h LYS 18 N -1.72 -0.08 -0.10 3.55 3.64 -1.89 -2.38 116.57 117.60 3dxm h LYS 18 Ca -0.45 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3dxm h LYS 18 Cb 1.25 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3dxm h LYS 18 CO 0.40 -0.06 0.00 -0.25 -2.27 0.00 0.00 179.45 177.27 3dxm n ASP 19 N -5.33 0.88 -3.36 4.20 10.43 -1.26 -4.91 116.55 117.20 3dxm n ASP 19 Ca 0.01 -1.64 -0.24 0.00 2.57 0.00 0.00 54.79 55.49 3dxm n ASP 19 Cb 0.24 -0.07 0.04 0.00 1.84 0.00 0.00 41.12 43.18 3dxm n ASP 19 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3dxm n ARG 20 N -0.17 -5.67 -0.00 -1.24 5.12 -0.90 -4.87 116.66 108.93 3dxm n ARG 20 Ca 0.14 0.79 0.09 0.00 -1.93 0.00 0.00 57.85 56.93 3dxm n ARG 20 Cb 0.19 -5.69 -0.12 0.00 -1.16 0.00 0.00 32.46 25.68 3dxm n ARG 20 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3dxm n THR 21 N -4.61 0.00 -3.87 0.55 -1.04 -1.26 -4.96 114.28 99.09 3dxm n THR 21 Ca -0.04 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.05 61.66 3dxm n THR 21 Cb 0.58 0.69 -0.13 0.00 -1.82 0.00 0.00 70.33 69.65 3dxm n THR 21 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3dxm s GLN 22 N -2.95 0.14 -0.07 -2.82 -0.21 -1.26 -4.02 119.66 108.47 3dxm s GLN 22 Ca 0.02 -0.04 0.03 0.00 0.02 0.00 0.00 55.36 55.40 3dxm s GLN 22 Cb 0.13 0.06 0.00 0.00 1.00 0.00 0.00 33.01 34.21 3dxm s GLN 22 CO 0.78 -0.02 -0.18 -1.50 -2.12 0.00 0.00 175.29 172.25 3dxm s ILE 23 N -0.27 1.54 -0.20 1.08 2.07 -0.65 -2.07 121.20 122.69 3dxm s ILE 23 Ca -0.03 -0.73 -0.09 0.00 -1.41 0.00 0.00 60.65 58.39 3dxm s ILE 23 Cb -0.02 -1.35 -0.05 0.00 0.13 0.00 0.00 42.46 41.17 3dxm s ILE 23 CO 0.00 0.44 0.11 0.00 -1.91 0.00 0.00 174.94 173.58 3dxm s ALA 24 N 0.39 3.53 0.03 1.50 0.00 0.57 -0.75 121.76 127.03 3dxm s ALA 24 Ca -0.13 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.08 3dxm s ALA 24 Cb -0.16 -2.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 3dxm s ALA 24 CO 0.05 0.05 -0.09 0.96 0.00 0.00 0.00 175.76 176.73 3dxm s ILE 25 N 0.59 0.69 -0.33 0.00 -4.36 0.91 -1.59 121.20 117.11 3dxm s ILE 25 Ca 0.06 -0.90 -0.10 0.00 -0.26 0.00 0.00 60.65 59.45 3dxm s ILE 25 Cb -0.12 -0.68 0.00 0.00 1.25 0.00 0.00 42.46 42.91 3dxm s ILE 25 CO 0.01 -0.18 0.16 0.00 0.24 0.00 0.00 174.94 175.17 3dxm n PRO 27 N 4.98 3.72 -4.04 0.00 -0.04 -1.26 -1.30 135.00 137.07 3dxm n PRO 27 Ca -0.13 -2.64 -0.31 0.00 -0.04 0.00 0.00 63.50 60.38 3dxm n PRO 27 Cb 0.48 -2.87 -0.01 0.00 -0.04 0.00 0.00 33.50 31.06 3dxm n PRO 27 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3dxm n ASN 28 N 3.71 -2.64 -2.41 3.54 5.15 -0.91 -4.90 115.26 116.81 3dxm n ASN 28 Ca 0.67 -0.94 -0.09 0.00 -0.60 0.00 0.00 54.58 53.62 3dxm n ASN 28 Cb 0.27 -3.19 -0.02 0.00 -0.53 0.00 0.00 39.78 36.31 3dxm n ASN 28 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3dxm n ASN 29 N -2.82 1.33 -0.62 1.20 2.85 -1.26 -5.01 115.26 110.94 3dxm n ASN 29 Ca -0.07 -1.74 0.11 0.00 -0.11 0.00 0.00 54.58 52.77 3dxm n ASN 29 Cb 0.57 0.30 0.03 0.00 1.24 0.00 0.00 39.78 41.92 3dxm n ASN 29 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 3dxm n HIS 30 N -0.33 0.00 -4.23 1.20 8.25 -1.26 -1.92 115.22 116.93 3dxm n HIS 30 Ca -0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.19 3dxm n HIS 30 Cb 0.21 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.24 3dxm n HIS 30 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3dxm s GLU 31 N -2.23 2.21 -0.13 -0.41 2.02 -1.26 -4.13 118.70 114.77 3dxm s GLU 31 Ca 0.20 -1.67 0.01 0.00 0.02 0.00 0.00 54.97 53.53 3dxm s GLU 31 Cb 0.18 -2.03 0.02 0.00 0.10 0.00 0.00 34.13 32.39 3dxm s GLU 31 CO 0.46 0.11 -0.15 0.08 0.02 0.00 0.00 175.26 175.78 3dxm s VAL 32 N -2.48 1.57 -0.13 2.63 1.01 -0.98 -4.02 120.40 117.99 3dxm s VAL 32 Ca 0.36 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 3dxm s VAL 32 Cb -0.01 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3dxm s VAL 32 CO 0.21 0.46 0.04 -1.00 0.00 0.00 0.00 175.10 174.81 3dxm s HIS 33 N 1.25 3.25 -0.16 5.22 3.76 0.21 -0.98 115.29 127.84 3dxm s HIS 33 Ca -0.00 0.15 -0.04 0.00 -0.15 0.00 0.00 55.06 55.02 3dxm s HIS 33 Cb -0.14 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.60 3dxm s HIS 33 CO -0.07 0.35 -0.03 0.42 -0.85 0.00 0.00 174.74 174.57 3dxm s ILE 34 N -0.36 3.93 0.28 0.60 1.01 -0.59 -0.06 121.20 126.00 3dxm s ILE 34 Ca 0.08 -0.34 0.10 0.00 0.00 0.00 0.00 60.65 60.50 3dxm s ILE 34 Cb -0.12 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 3dxm s ILE 34 CO 0.02 0.48 -0.08 -0.31 0.00 0.00 0.00 174.94 175.05 3dxm s TYR 35 N 0.44 2.53 -0.04 3.97 1.51 0.07 -0.79 117.35 125.03 3dxm s TYR 35 Ca -0.03 -0.28 -0.16 0.00 -1.01 0.00 0.00 57.07 55.59 3dxm s TYR 35 Cb -0.14 -1.13 0.03 0.00 -0.11 0.00 0.00 41.96 40.61 3dxm s TYR 35 CO 0.03 0.65 0.36 -2.00 -1.11 0.00 0.00 175.55 173.48 3dxm s GLU 36 N -3.61 0.66 0.14 -0.62 2.12 -0.44 -1.64 118.70 115.32 3dxm s GLU 36 Ca 0.31 -0.01 -0.19 0.00 0.36 0.00 0.00 54.97 55.44 3dxm s GLU 36 Cb -0.05 0.30 -0.07 0.00 0.26 0.00 0.00 34.13 34.56 3dxm s GLU 36 CO 0.18 -0.17 0.64 0.15 -0.54 0.00 0.00 175.26 175.52 3dxm s LYS 37 N -1.02 4.23 -0.32 4.30 1.02 -1.26 -0.18 119.74 126.52 3dxm s LYS 37 Ca -0.11 0.79 0.00 0.00 0.02 0.00 0.00 55.97 56.68 3dxm s LYS 37 Cb -0.04 -3.08 0.10 0.00 -0.52 0.00 0.00 37.83 34.29 3dxm s LYS 37 CO 0.04 0.53 0.09 0.45 -0.92 0.00 0.00 175.35 175.54 3dxm s SER 38 N -1.39 4.15 1.31 2.83 0.15 0.73 -4.93 113.70 116.56 3dxm s SER 38 Ca 0.36 -1.75 0.00 0.00 0.70 0.00 0.00 55.95 55.26 3dxm s SER 38 Cb -0.18 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 3dxm s SER 38 CO 0.21 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.85 3dxm n GLY 39 N 4.72 1.69 1.29 9.45 0.00 -1.26 -2.10 105.19 118.98 3dxm n GLY 39 Ca -0.01 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.63 3dxm n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dxm n ASN 40 N 6.97 4.60 -4.60 1.61 4.13 -1.26 -4.97 115.26 121.75 3dxm n ASN 40 Ca 0.00 -3.00 -0.28 0.00 1.68 0.00 0.00 54.58 52.98 3dxm n ASN 40 Cb 0.00 -0.60 -0.09 0.00 -1.54 0.00 0.00 39.78 37.55 3dxm n ASN 40 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3dxm s LYS 41 N -2.82 2.17 -0.15 3.52 -0.14 -0.89 -5.12 119.74 116.30 3dxm s LYS 41 Ca 0.47 -1.15 -0.07 0.00 -1.36 0.00 0.00 55.97 53.86 3dxm s LYS 41 Cb 0.37 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 34.23 3dxm s LYS 41 CO 0.11 0.46 0.10 -1.58 -0.76 0.00 0.00 175.35 173.68 3dxm s TRP 42 N -1.56 3.40 -0.04 3.18 0.52 -1.26 -0.19 118.94 122.98 3dxm s TRP 42 Ca 0.24 0.31 0.02 0.00 0.02 0.00 0.00 56.10 56.70 3dxm s TRP 42 Cb -0.10 -2.01 0.01 0.00 -1.15 0.00 0.00 33.47 30.22 3dxm s TRP 42 CO 0.16 0.44 -0.10 0.08 0.02 0.00 0.00 176.95 177.54 3dxm s VAL 43 N -0.30 0.92 -0.03 4.03 1.01 0.75 -4.94 120.40 121.84 3dxm s VAL 43 Ca 0.10 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 3dxm s VAL 43 Cb -0.12 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3dxm s VAL 43 CO 0.01 0.29 1.19 -1.58 0.00 0.00 0.00 175.10 175.01 3dxm s GLN 44 N 0.37 4.38 -0.01 2.72 0.74 -1.26 -1.32 119.66 125.27 3dxm s GLN 44 Ca -0.07 1.68 0.07 0.00 0.05 0.00 0.00 55.36 57.09 3dxm s GLN 44 Cb -0.11 -3.51 -0.11 0.00 1.10 0.00 0.00 33.01 30.37 3dxm s GLN 44 CO 0.01 -0.39 0.15 1.33 -0.55 0.00 0.00 175.29 175.84 3dxm n VAL 45 N 4.45 0.01 -3.86 1.34 0.24 0.03 -4.97 118.33 115.57 3dxm n VAL 45 Ca 0.10 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 62.13 3dxm n VAL 45 Cb 0.46 0.32 -0.09 0.00 -1.47 0.00 0.00 33.84 33.06 3dxm n VAL 45 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3dxm s HIS 46 N -2.48 0.04 -0.21 6.34 3.76 -1.15 -5.00 115.29 116.58 3dxm s HIS 46 Ca -0.03 -0.19 -0.03 0.00 -0.15 0.00 0.00 55.06 54.66 3dxm s HIS 46 Cb 0.04 -0.04 0.07 0.00 1.11 0.00 0.00 32.58 33.76 3dxm s HIS 46 CO 0.29 -0.36 0.05 -2.00 -0.85 0.00 0.00 174.74 171.87 3dxm s GLU 47 N -2.00 0.57 -0.51 1.40 2.12 -1.26 -1.54 118.70 117.48 3dxm s GLU 47 Ca -0.10 -0.46 -0.19 0.00 0.36 0.00 0.00 54.97 54.59 3dxm s GLU 47 Cb -0.04 -2.02 0.07 0.00 0.26 0.00 0.00 34.13 32.40 3dxm s GLU 47 CO -0.01 -0.70 0.61 -0.51 -0.54 0.00 0.00 175.26 174.11 3dxm s LEU 48 N 1.88 5.11 -0.25 2.70 1.02 -0.15 -4.98 118.68 124.01 3dxm s LEU 48 Ca 0.01 -1.04 0.02 0.00 0.02 0.00 0.00 54.13 53.14 3dxm s LEU 48 Cb -0.17 -2.40 0.05 0.00 0.02 0.00 0.00 46.19 43.69 3dxm s LEU 48 CO -0.12 -0.89 -0.11 -0.54 0.02 0.00 0.00 176.35 174.71 3dxm s LYS 49 N 2.52 2.42 0.00 1.70 1.02 -1.26 -2.32 119.74 123.82 3dxm s LYS 49 Ca 0.13 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.89 3dxm s LYS 49 Cb -0.21 -2.88 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 3dxm s LYS 49 CO 0.10 -0.51 0.00 -1.91 -0.92 0.00 0.00 175.35 172.12 3dxm n GLU 50 N 4.50 0.00 -1.73 1.68 4.07 -1.26 -5.09 120.64 122.80 3dxm n GLU 50 Ca -0.15 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.57 3dxm n GLU 50 Cb 0.44 -0.10 0.05 0.00 -0.06 0.00 0.00 31.44 31.76 3dxm n GLU 50 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3dxm n HIS 51 N -1.56 2.11 -0.95 4.31 8.25 -1.26 -4.92 115.22 121.21 3dxm n HIS 51 Ca 0.00 0.43 0.09 0.00 -0.26 0.00 0.00 57.72 57.98 3dxm n HIS 51 Cb 0.00 -2.33 0.24 0.00 1.12 0.00 0.00 29.99 29.02 3dxm n HIS 51 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3dxm n ASN 52 N -1.11 3.64 -3.88 0.41 5.15 -1.26 -4.85 115.26 113.36 3dxm n ASN 52 Ca 0.12 -2.97 -0.09 0.00 -0.60 0.00 0.00 54.58 51.04 3dxm n ASN 52 Cb 0.45 -0.51 -0.05 0.00 -0.53 0.00 0.00 39.78 39.14 3dxm n ASN 52 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3dxm s GLY 53 N -1.99 0.26 0.29 8.20 0.00 -1.26 -4.80 107.32 108.02 3dxm s GLY 53 Ca 0.40 -0.62 -0.30 0.00 0.00 0.00 0.00 44.72 44.20 3dxm s GLY 53 CO 0.08 -0.57 1.61 1.62 0.00 0.00 0.00 173.10 175.84 3dxm s GLN 54 N -3.94 4.11 0.05 2.90 0.74 -1.26 -4.41 119.66 117.86 3dxm s GLN 54 Ca 0.15 2.60 -0.30 0.00 0.05 0.00 0.00 55.36 57.85 3dxm s GLN 54 Cb 0.01 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 31.06 3dxm s GLN 54 CO 0.00 -0.65 1.00 0.08 -0.55 0.00 0.00 175.29 175.18 3dxm s VAL 55 N 0.04 4.63 -0.28 1.34 1.01 -0.81 -0.98 120.40 125.35 3dxm s VAL 55 Ca 0.64 1.98 0.06 0.00 0.00 0.00 0.00 61.98 64.66 3dxm s VAL 55 Cb -0.48 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 31.56 3dxm s VAL 55 CO 0.48 0.20 0.27 0.35 0.00 0.00 0.00 175.10 176.40 3dxm n THR 56 N 3.53 0.00 -3.69 3.92 -2.24 -0.61 -4.78 114.28 110.41 3dxm n THR 56 Ca 0.05 -0.33 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 3dxm n THR 56 Cb 0.50 0.95 -0.09 0.00 -2.10 0.00 0.00 70.33 69.59 3dxm n THR 56 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dxm s GLY 57 N -1.71 -0.36 -0.09 3.38 0.00 -1.17 -4.61 107.32 102.76 3dxm s GLY 57 Ca 0.02 1.19 -0.07 0.00 0.00 0.00 0.00 44.72 45.86 3dxm s GLY 57 CO 0.27 0.97 0.24 -0.42 0.00 0.00 0.00 173.10 174.16 3dxm s ILE 58 N -0.23 -0.01 -0.03 0.90 1.01 -1.26 -2.02 121.20 119.56 3dxm s ILE 58 Ca -0.04 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.62 3dxm s ILE 58 Cb -0.03 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.09 3dxm s ILE 58 CO 0.03 0.02 0.11 -0.62 0.00 0.00 0.00 174.94 174.48 3dxm s ASP 59 N 0.55 -0.07 -0.20 3.58 2.15 -0.72 -4.55 116.67 117.41 3dxm s ASP 59 Ca -0.03 0.09 -0.02 0.00 0.43 0.00 0.00 52.55 53.02 3dxm s ASP 59 Cb -0.05 0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.80 3dxm s ASP 59 CO -0.03 -0.13 -0.11 0.86 -0.17 0.00 0.00 175.17 175.59 3dxm s TRP 60 N -0.35 2.88 -0.31 -5.34 -0.11 -1.26 -1.22 118.94 113.22 3dxm s TRP 60 Ca -0.04 -1.22 -0.29 0.00 1.22 0.00 0.00 56.10 55.77 3dxm s TRP 60 Cb -0.03 -2.03 0.02 0.00 -1.50 0.00 0.00 33.47 29.93 3dxm s TRP 60 CO 0.00 -0.65 1.06 0.00 -4.62 0.00 0.00 176.95 172.75 3dxm s ALA 61 N 1.39 3.51 0.07 5.86 0.00 0.24 -4.90 121.76 127.93 3dxm s ALA 61 Ca 0.05 -0.05 -0.32 0.00 0.00 0.00 0.00 51.96 51.64 3dxm s ALA 61 Cb -0.14 -3.65 -0.16 0.00 0.00 0.00 0.00 23.12 19.17 3dxm s ALA 61 CO -0.07 -1.44 1.50 -1.00 0.00 0.00 0.00 175.76 174.75 3dxm h PRO 62 N 8.04 -0.92 -0.02 0.00 0.13 -1.91 -0.14 132.00 137.18 3dxm h PRO 62 Ca -0.20 0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 3dxm h PRO 62 Cb 1.06 0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 3dxm h PRO 62 CO 1.02 -0.61 -0.01 -0.44 -0.23 0.00 0.00 178.00 177.73 3dxm h ASP 63 N -0.96 0.04 0.96 1.44 3.32 -1.98 -3.04 116.42 116.21 3dxm h ASP 63 Ca -0.07 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3dxm h ASP 63 Cb 0.81 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3dxm h ASP 63 CO -0.02 0.44 0.00 -1.54 -1.72 0.00 0.00 179.24 176.40 3dxm n SER 64 N -4.86 0.49 -3.73 6.45 3.41 -1.26 -4.91 113.62 109.21 3dxm n SER 64 Ca -0.08 0.58 -0.26 0.00 -0.26 0.00 0.00 58.87 58.86 3dxm n SER 64 Cb 0.23 -0.70 0.05 0.00 -0.26 0.00 0.00 64.21 63.53 3dxm n SER 64 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3dxm n ASN 65 N -2.00 -4.60 -4.54 4.04 4.05 -0.08 -4.99 115.26 107.14 3dxm n ASN 65 Ca 0.04 -0.69 -0.34 0.00 0.45 0.00 0.00 54.58 54.04 3dxm n ASN 65 Cb 0.30 -4.41 -0.12 0.00 1.23 0.00 0.00 39.78 36.78 3dxm n ASN 65 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3dxm s ARG 66 N -6.32 3.20 -0.17 1.20 0.52 -1.09 -4.60 118.95 111.69 3dxm s ARG 66 Ca 0.49 -0.53 -0.07 0.00 -0.52 0.00 0.00 55.73 55.10 3dxm s ARG 66 Cb -0.23 -2.75 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 3dxm s ARG 66 CO 0.78 0.46 0.06 0.42 0.02 0.00 0.00 175.30 177.04 3dxm s ILE 67 N -0.25 4.75 -0.07 1.52 1.01 -0.83 -0.59 121.20 126.75 3dxm s ILE 67 Ca 0.04 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.68 3dxm s ILE 67 Cb -0.13 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 3dxm s ILE 67 CO 0.02 0.48 -0.19 0.54 0.00 0.00 0.00 174.94 175.79 3dxm s VAL 68 N 0.22 2.57 0.05 2.92 0.11 -0.36 0.17 120.40 126.07 3dxm s VAL 68 Ca 0.04 -0.88 0.03 0.00 -2.93 0.00 0.00 61.98 58.24 3dxm s VAL 68 Cb -0.12 -1.99 -0.02 0.00 -1.53 0.00 0.00 36.38 32.71 3dxm s VAL 68 CO 0.00 0.57 -0.10 0.42 -3.33 0.00 0.00 175.10 172.66 3dxm s THR 69 N -0.25 0.77 0.07 5.04 -4.23 -0.09 -1.75 115.64 115.19 3dxm s THR 69 Ca 0.00 -1.06 0.04 0.00 -1.18 0.00 0.00 61.69 59.48 3dxm s THR 69 Cb -0.13 -0.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.90 3dxm s THR 69 CO 0.03 -0.24 -0.10 0.00 -0.54 0.00 0.00 174.62 173.76 3dxm s GLY 71 N -1.87 1.88 0.00 0.00 0.00 -0.72 -1.57 107.32 105.03 3dxm s GLY 71 Ca -0.03 -1.78 0.14 0.00 0.00 0.00 0.00 44.72 43.05 3dxm s GLY 71 CO 0.01 -1.21 1.41 -1.30 0.00 0.00 0.00 173.10 172.01 3dxm n THR 72 N -0.59 0.89 1.21 0.90 -2.24 -0.15 -1.99 114.28 112.30 3dxm n THR 72 Ca 0.04 0.22 0.03 0.00 -2.27 0.00 0.00 64.05 62.07 3dxm n THR 72 Cb 0.62 -0.99 0.09 0.00 -2.10 0.00 0.00 70.33 67.95 3dxm n THR 72 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dxm n ASP 73 N -1.42 1.27 0.00 3.42 5.68 -1.26 -4.33 116.55 119.91 3dxm n ASP 73 Ca 0.05 -2.05 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 3dxm n ASP 73 Cb 0.14 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 3dxm n ASP 73 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3dxm n ARG 74 N 0.08 -0.12 -3.34 0.11 1.74 -0.84 -4.99 116.66 109.31 3dxm n ARG 74 Ca 0.07 0.03 -0.20 0.00 -0.77 0.00 0.00 57.85 56.98 3dxm n ARG 74 Cb 0.23 -3.44 0.00 0.00 -1.02 0.00 0.00 32.46 28.23 3dxm n ARG 74 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3dxm s ASN 75 N -2.49 5.92 -0.00 0.55 0.01 -1.26 -4.63 114.94 113.05 3dxm s ASN 75 Ca 0.00 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 3dxm s ASN 75 Cb 0.00 -1.29 0.00 0.00 0.41 0.00 0.00 41.25 40.37 3dxm s ASN 75 CO 0.00 -0.51 0.00 0.00 -1.51 0.00 0.00 177.10 175.08 3dxm s ALA 76 N -2.28 0.01 -0.02 0.60 0.00 -1.24 -1.76 121.76 117.07 3dxm s ALA 76 Ca 0.46 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.48 3dxm s ALA 76 Cb -0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 3dxm s ALA 76 CO 0.33 -0.01 -0.08 0.71 0.00 0.00 0.00 175.76 176.70 3dxm s TYR 77 N 0.14 0.80 -0.24 0.00 1.51 0.60 -1.54 117.35 118.63 3dxm s TYR 77 Ca -0.01 -0.17 -0.08 0.00 -1.01 0.00 0.00 57.07 55.79 3dxm s TYR 77 Cb -0.02 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 3dxm s TYR 77 CO -0.00 -0.06 0.10 0.08 -1.11 0.00 0.00 175.55 174.55 3dxm s VAL 78 N 0.05 4.63 -0.19 0.71 1.01 -0.89 -0.92 120.40 124.81 3dxm s VAL 78 Ca -0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 3dxm s VAL 78 Cb -0.06 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 3dxm s VAL 78 CO -0.00 0.34 0.11 0.26 0.00 0.00 0.00 175.10 175.81 3dxm s TRP 79 N 1.40 3.37 -0.06 5.22 0.52 0.44 -1.42 118.94 128.42 3dxm s TRP 79 Ca 0.06 0.27 0.05 0.00 0.02 0.00 0.00 56.10 56.50 3dxm s TRP 79 Cb -0.15 -2.11 -0.02 0.00 -1.15 0.00 0.00 33.47 30.04 3dxm s TRP 79 CO 0.05 0.29 -0.22 0.99 0.02 0.00 0.00 176.95 178.08 3dxm s THR 80 N 0.23 2.36 -0.27 2.01 2.01 -0.07 -1.97 115.64 119.95 3dxm s THR 80 Ca 0.07 -0.97 -0.24 0.00 0.31 0.00 0.00 61.69 60.87 3dxm s THR 80 Cb -0.11 -1.88 -0.00 0.00 0.01 0.00 0.00 72.50 70.51 3dxm s THR 80 CO -0.01 0.57 0.81 -0.22 -0.69 0.00 0.00 174.62 175.08 3dxm s LEU 81 N -0.31 4.07 -0.33 4.42 2.96 -1.26 -0.72 118.68 127.52 3dxm s LEU 81 Ca 0.01 0.90 0.04 0.00 -0.22 0.00 0.00 54.13 54.86 3dxm s LEU 81 Cb -0.13 -3.14 0.09 0.00 0.50 0.00 0.00 46.19 43.51 3dxm s LEU 81 CO 0.02 -0.55 0.02 -0.54 -1.32 0.00 0.00 176.35 173.99 3dxm s LYS 82 N 2.88 1.61 6.15 1.98 1.02 0.11 -4.98 119.74 128.50 3dxm s LYS 82 Ca 0.34 -1.77 0.00 0.00 0.02 0.00 0.00 55.97 54.55 3dxm s LYS 82 Cb -0.15 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 3dxm s LYS 82 CO 0.09 -0.87 0.00 0.41 -0.92 0.00 0.00 175.35 174.06 3dxm n GLY 83 N 4.29 1.66 0.64 -3.33 0.00 -1.26 -2.39 105.19 104.79 3dxm n GLY 83 Ca 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3dxm n GLY 83 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dxm n ARG 84 N 0.93 2.87 -4.09 1.61 0.63 -1.26 -5.01 116.66 112.35 3dxm n ARG 84 Ca 0.00 -2.18 -0.14 0.00 -0.92 0.00 0.00 57.85 54.61 3dxm n ARG 84 Cb 0.00 -1.37 -0.14 0.00 0.45 0.00 0.00 32.46 31.40 3dxm n ARG 84 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3dxm s THR 85 N -1.39 0.37 -0.13 5.15 -4.23 -1.01 -5.08 115.64 109.32 3dxm s THR 85 Ca 0.26 -0.39 -0.19 0.00 -1.18 0.00 0.00 61.69 60.18 3dxm s THR 85 Cb 0.16 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.61 3dxm s THR 85 CO 0.13 -0.02 0.53 0.26 -0.54 0.00 0.00 174.62 174.98 3dxm s TRP 86 N -0.41 3.49 -0.10 3.99 0.52 -1.26 -0.71 118.94 124.45 3dxm s TRP 86 Ca -0.01 0.93 0.02 0.00 0.02 0.00 0.00 56.10 57.05 3dxm s TRP 86 Cb -0.04 -2.63 -0.02 0.00 -1.15 0.00 0.00 33.47 29.64 3dxm s TRP 86 CO -0.00 0.09 -0.15 0.15 0.02 0.00 0.00 176.95 177.06 3dxm s LYS 87 N 0.91 3.08 0.22 4.98 -0.14 0.11 -4.91 119.74 123.99 3dxm s LYS 87 Ca 0.28 -0.71 -0.08 0.00 -1.36 0.00 0.00 55.97 54.10 3dxm s LYS 87 Cb -0.16 -2.51 -0.06 0.00 -1.68 0.00 0.00 37.83 33.42 3dxm s LYS 87 CO 0.11 0.33 0.50 -1.25 -0.76 0.00 0.00 175.35 174.29 3dxm s PRO 88 N 0.03 3.72 -0.10 -1.68 0.04 -1.26 -0.89 135.00 134.87 3dxm s PRO 88 Ca -0.05 0.13 0.01 0.00 0.04 0.00 0.00 61.00 61.13 3dxm s PRO 88 Cb -0.15 -2.70 0.02 0.00 0.04 0.00 0.00 34.50 31.71 3dxm s PRO 88 CO 0.04 0.34 -0.12 0.99 0.04 0.00 0.00 177.00 178.29 3dxm s THR 89 N -1.82 1.27 0.24 1.26 2.01 -0.51 -4.95 115.64 113.14 3dxm s THR 89 Ca 0.45 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 3dxm s THR 89 Cb -0.11 -1.19 -0.09 0.00 0.01 0.00 0.00 72.50 71.11 3dxm s THR 89 CO 0.24 0.40 1.31 -0.22 -0.69 0.00 0.00 174.62 175.65 3dxm s LEU 90 N 1.07 4.43 -0.18 4.42 0.20 -1.26 -2.09 118.68 125.26 3dxm s LEU 90 Ca -0.06 2.48 0.01 0.00 0.69 0.00 0.00 54.13 57.25 3dxm s LEU 90 Cb -0.15 -3.62 0.03 0.00 -0.43 0.00 0.00 46.19 42.03 3dxm s LEU 90 CO -0.02 -0.52 -0.13 -0.69 -0.29 0.00 0.00 176.35 174.71 3dxm s VAL 91 N -0.27 1.64 -0.30 1.68 1.01 -0.59 -4.79 120.40 118.79 3dxm s VAL 91 Ca 0.54 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 3dxm s VAL 91 Cb -0.37 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.38 3dxm s VAL 91 CO 0.42 0.31 0.88 -0.63 0.00 0.00 0.00 175.10 176.09 3dxm s ILE 92 N 1.43 4.71 -0.60 2.22 1.01 -1.26 -3.73 121.20 124.97 3dxm s ILE 92 Ca 0.02 1.41 0.24 0.00 0.00 0.00 0.00 60.65 62.32 3dxm s ILE 92 Cb -0.15 -4.23 0.15 0.00 0.01 0.00 0.00 42.46 38.24 3dxm s ILE 92 CO -0.10 -0.30 1.46 -0.07 0.00 0.00 0.00 174.94 175.94 3dxm h LEU 93 N 9.61 0.00 -1.77 2.97 3.38 -1.95 -3.42 115.31 124.14 3dxm h LEU 93 Ca -0.23 -0.11 -0.35 0.00 0.09 0.00 0.00 57.88 57.29 3dxm h LEU 93 Cb 1.08 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.98 3dxm h LEU 93 CO 0.93 0.05 -0.79 0.54 0.09 0.00 0.00 178.44 179.26 3dxm n ARG 94 N -2.32 -5.79 -4.25 1.13 1.74 -1.26 -4.92 116.66 100.99 3dxm n ARG 94 Ca 0.04 0.79 -0.17 0.00 -0.77 0.00 0.00 57.85 57.73 3dxm n ARG 94 Cb 0.46 -5.66 -0.11 0.00 -1.02 0.00 0.00 32.46 26.13 3dxm n ARG 94 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3dxm s ILE 95 N -3.44 1.32 -0.15 0.55 -4.36 -1.26 -5.06 121.20 108.79 3dxm s ILE 95 Ca 0.04 -1.82 0.18 0.00 -0.26 0.00 0.00 60.65 58.79 3dxm s ILE 95 Cb -0.01 -1.62 0.34 0.00 1.25 0.00 0.00 42.46 42.42 3dxm s ILE 95 CO 0.75 -0.50 1.21 -0.46 0.24 0.00 0.00 174.94 176.19 3dxm n ASN 96 N 0.33 2.73 -4.22 4.36 0.23 -1.26 -5.00 115.26 112.43 3dxm n ASN 96 Ca -0.14 -3.03 -0.12 0.00 -0.53 0.00 0.00 54.58 50.75 3dxm n ASN 96 Cb 0.58 -0.45 -0.10 0.00 -2.08 0.00 0.00 39.78 37.73 3dxm n ASN 96 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3dxm s ARG 97 N -2.80 1.12 0.51 -3.83 1.81 -1.26 -5.01 118.95 109.50 3dxm s ARG 97 Ca 0.34 -1.57 -0.23 0.00 -1.72 0.00 0.00 55.73 52.55 3dxm s ARG 97 Cb 0.29 0.01 -0.06 0.00 -0.45 0.00 0.00 34.95 34.74 3dxm s ARG 97 CO 0.04 -0.26 1.36 0.00 -0.68 0.00 0.00 175.30 175.77 3dxm s ALA 98 N -3.91 2.96 0.37 2.13 0.00 -1.26 -4.49 121.76 117.57 3dxm s ALA 98 Ca 0.30 1.34 -0.20 0.00 0.00 0.00 0.00 51.96 53.39 3dxm s ALA 98 Cb 0.07 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 3dxm s ALA 98 CO 0.07 -1.25 0.87 0.00 0.00 0.00 0.00 175.76 175.45 3dxm s ALA 99 N -1.29 3.16 -0.02 0.00 0.00 -0.86 -1.22 121.76 121.54 3dxm s ALA 99 Ca 0.68 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.94 3dxm s ALA 99 Cb -0.40 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 3dxm s ALA 99 CO 0.49 0.21 -0.00 -2.13 0.00 0.00 0.00 175.76 174.33 3dxm n ARG 100 N -0.34 2.55 -3.69 0.00 3.00 0.75 -4.24 116.66 114.68 3dxm n ARG 100 Ca 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.79 3dxm n ARG 100 Cb 0.53 -1.04 -0.06 0.00 0.00 0.00 0.00 32.46 31.89 3dxm n ARG 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3dxm s VAL 102 N -3.40 0.01 -0.14 0.00 0.11 -1.26 -1.18 120.40 114.54 3dxm s VAL 102 Ca 0.01 -0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 58.91 3dxm s VAL 102 Cb 0.02 -0.63 0.05 0.00 -1.53 0.00 0.00 36.38 34.29 3dxm s VAL 102 CO -0.09 -0.04 0.33 -0.13 -3.33 0.00 0.00 175.10 171.84 3dxm s ARG 103 N -0.09 0.31 0.51 1.54 1.81 -0.82 -4.48 118.95 117.72 3dxm s ARG 103 Ca -0.03 0.65 -0.19 0.00 -1.72 0.00 0.00 55.73 54.44 3dxm s ARG 103 Cb -0.03 -0.06 -0.07 0.00 -0.45 0.00 0.00 34.95 34.34 3dxm s ARG 103 CO 0.02 -0.15 1.04 -1.58 -0.68 0.00 0.00 175.30 173.94 3dxm s TRP 104 N 1.26 3.03 0.57 -0.53 0.52 -1.26 -1.43 118.94 121.10 3dxm s TRP 104 Ca -0.09 1.56 -0.09 0.00 0.02 0.00 0.00 56.10 57.50 3dxm s TRP 104 Cb -0.09 -3.03 -0.04 0.00 -1.15 0.00 0.00 33.47 29.16 3dxm s TRP 104 CO -0.10 -0.85 0.94 0.00 0.02 0.00 0.00 176.95 176.97 3dxm s ALA 105 N -2.14 3.21 0.36 0.98 0.00 -0.01 -4.84 121.76 119.32 3dxm s ALA 105 Ca 0.66 -0.23 0.08 0.00 0.00 0.00 0.00 51.96 52.47 3dxm s ALA 105 Cb -0.16 -2.91 0.79 0.00 0.00 0.00 0.00 23.12 20.85 3dxm s ALA 105 CO 0.24 -0.56 1.90 -1.35 0.00 0.00 0.00 175.76 175.98 3dxm h PRO 106 N -0.11 0.69 0.00 0.00 0.11 -1.88 -0.76 132.00 130.05 3dxm h PRO 106 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3dxm h PRO 106 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3dxm h PRO 106 CO 0.62 0.46 0.00 0.27 -0.21 0.00 0.00 178.00 179.14 3dxm n ASN 107 N -4.53 0.00 -2.14 -2.05 2.04 -1.26 -4.89 115.26 102.42 3dxm n ASN 107 Ca 0.15 -0.57 -0.18 0.00 -0.44 0.00 0.00 54.58 53.54 3dxm n ASN 107 Cb 0.40 -0.11 -0.03 0.00 -2.53 0.00 0.00 39.78 37.50 3dxm n ASN 107 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3dxm n GLU 108 N -1.11 -1.72 -0.00 -3.83 1.02 -0.29 -4.83 120.64 109.88 3dxm n GLU 108 Ca 0.18 0.94 0.09 0.00 -0.02 0.00 0.00 57.16 58.35 3dxm n GLU 108 Cb 0.14 -5.50 -0.12 0.00 -0.02 0.00 0.00 31.44 25.94 3dxm n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3dxm n LYS 109 N -2.72 0.73 -3.91 3.49 4.76 -1.26 -4.97 118.16 114.27 3dxm n LYS 109 Ca -0.21 -0.08 -0.09 0.00 -2.87 0.00 0.00 58.31 55.06 3dxm n LYS 109 Cb 0.64 -1.41 -0.06 0.00 -1.84 0.00 0.00 35.03 32.36 3dxm n LYS 109 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3dxm s LYS 110 N -3.01 1.27 -0.05 1.97 1.02 -1.26 -4.35 119.74 115.32 3dxm s LYS 110 Ca 0.01 -1.11 -0.10 0.00 0.02 0.00 0.00 55.97 54.79 3dxm s LYS 110 Cb 0.13 0.43 0.02 0.00 -0.52 0.00 0.00 37.83 37.89 3dxm s LYS 110 CO 0.78 -0.50 0.25 -0.59 -0.92 0.00 0.00 175.35 174.38 3dxm s PHE 111 N -3.95 -0.19 0.02 3.18 -0.12 -0.83 -0.83 117.98 115.26 3dxm s PHE 111 Ca 0.16 0.41 0.05 0.00 -0.05 0.00 0.00 56.93 57.50 3dxm s PHE 111 Cb 0.02 0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.44 3dxm s PHE 111 CO 0.01 -0.24 -0.11 0.00 -0.05 0.00 0.00 175.22 174.82 3dxm s ALA 112 N -0.60 2.86 -0.18 1.99 0.00 -0.51 -0.92 121.76 124.40 3dxm s ALA 112 Ca -0.07 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3dxm s ALA 112 Cb -0.04 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.14 3dxm s ALA 112 CO 0.02 0.60 -0.07 0.08 0.00 0.00 0.00 175.76 176.38 3dxm s VAL 113 N -0.97 1.36 0.22 0.00 1.01 -0.28 -1.95 120.40 119.79 3dxm s VAL 113 Ca 0.16 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 61.04 3dxm s VAL 113 Cb -0.11 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.68 3dxm s VAL 113 CO 0.07 0.13 0.88 -0.83 0.00 0.00 0.00 175.10 175.34 3dxm s GLY 114 N 1.52 3.00 0.30 4.51 0.00 -0.33 -1.37 107.32 114.95 3dxm s GLY 114 Ca -0.01 0.50 0.05 0.00 0.00 0.00 0.00 44.72 45.27 3dxm s GLY 114 CO -0.08 1.03 0.23 -1.35 0.00 0.00 0.00 173.10 172.93 3dxm s SER 115 N -1.24 1.38 0.00 1.64 1.04 -0.99 -0.18 113.70 115.35 3dxm s SER 115 Ca 0.40 -1.66 0.30 0.00 0.48 0.00 0.00 55.95 55.47 3dxm s SER 115 Cb -0.24 0.50 1.45 0.00 0.10 0.00 0.00 66.02 67.83 3dxm s SER 115 CO 0.29 -0.99 1.98 0.61 0.98 0.00 0.00 173.24 176.10 3dxm n GLY 116 N -0.55 -0.76 0.32 7.32 0.00 -0.35 -1.65 105.19 109.51 3dxm n GLY 116 Ca 0.05 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.82 3dxm n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dxm n SER 117 N -0.73 0.88 -3.62 1.61 7.64 -1.26 -4.67 113.62 113.47 3dxm n SER 117 Ca 0.19 -2.02 -0.22 0.00 1.01 0.00 0.00 58.87 57.83 3dxm n SER 117 Cb 0.23 -0.15 0.06 0.00 -1.01 0.00 0.00 64.21 63.35 3dxm n SER 117 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3dxm n ARG 118 N -0.07 -6.46 -3.75 1.43 1.74 -1.17 -4.98 116.66 103.39 3dxm n ARG 118 Ca 0.05 0.75 -0.10 0.00 -0.77 0.00 0.00 57.85 57.78 3dxm n ARG 118 Cb 0.16 -5.66 -0.04 0.00 -1.02 0.00 0.00 32.46 25.90 3dxm n ARG 118 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dxm s VAL 119 N -3.41 0.03 -0.19 1.55 0.11 -1.26 -4.69 120.40 112.55 3dxm s VAL 119 Ca 0.28 -0.83 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 3dxm s VAL 119 Cb -0.13 -1.57 0.02 0.00 -1.53 0.00 0.00 36.38 33.16 3dxm s VAL 119 CO 0.77 -0.15 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.58 3dxm s ILE 120 N -3.88 2.22 -0.38 7.04 1.01 -0.74 -2.34 121.20 124.13 3dxm s ILE 120 Ca 0.10 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 3dxm s ILE 120 Cb -0.00 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.50 3dxm s ILE 120 CO -0.03 0.49 0.58 -0.44 0.00 0.00 0.00 174.94 175.53 3dxm s SER 121 N 1.30 6.34 -0.43 3.58 0.01 -0.47 -0.97 113.70 123.07 3dxm s SER 121 Ca 0.04 -0.10 -0.18 0.00 1.31 0.00 0.00 55.95 57.02 3dxm s SER 121 Cb -0.14 -2.30 0.02 0.00 0.21 0.00 0.00 66.02 63.82 3dxm s SER 121 CO -0.11 -0.60 0.49 -0.63 0.41 0.00 0.00 173.24 172.79 3dxm s ILE 122 N 2.59 5.03 -0.03 1.44 -1.09 0.25 -1.13 121.20 128.25 3dxm s ILE 122 Ca 0.21 -0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 58.35 3dxm s ILE 122 Cb -0.15 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 3dxm s ILE 122 CO 0.15 -0.47 0.08 0.00 -1.23 0.00 0.00 174.94 173.47 3dxm s TYR 124 N -1.13 -0.16 -0.05 0.00 -0.85 -0.21 -1.97 117.35 112.98 3dxm s TYR 124 Ca 0.21 -0.01 -0.13 0.00 -0.52 0.00 0.00 57.07 56.61 3dxm s TYR 124 Cb -0.12 0.16 -0.05 0.00 0.38 0.00 0.00 41.96 42.33 3dxm s TYR 124 CO 0.11 -0.57 0.35 0.12 -1.52 0.00 0.00 175.55 174.04 3dxm s PHE 125 N -2.89 3.66 -0.37 -3.49 2.19 -1.26 -1.19 117.98 114.62 3dxm s PHE 125 Ca -0.03 0.86 -0.07 0.00 0.33 0.00 0.00 56.93 58.02 3dxm s PHE 125 Cb 0.00 -2.25 0.06 0.00 -1.31 0.00 0.00 43.02 39.52 3dxm s PHE 125 CO -0.05 0.58 0.16 -1.21 1.83 0.00 0.00 175.22 176.53 3dxm s GLU 126 N -0.77 2.52 0.00 10.12 2.02 -0.94 -4.93 118.70 126.72 3dxm s GLU 126 Ca 0.21 -1.36 0.00 0.00 0.02 0.00 0.00 54.97 53.84 3dxm s GLU 126 Cb -0.15 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.51 3dxm s GLU 126 CO 0.10 -0.81 0.35 1.04 0.02 0.00 0.00 175.26 175.96 3dxm n GLN 127 N 4.81 0.67 -0.11 1.61 6.02 -1.26 -1.02 117.38 128.10 3dxm n GLN 127 Ca -0.10 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.71 3dxm n GLN 127 Cb 0.44 -1.32 -0.09 0.00 1.02 0.00 0.00 30.24 30.28 3dxm n GLN 127 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3dxm n GLU 128 N 0.14 0.50 0.00 -1.09 1.02 -1.26 -4.58 120.64 115.38 3dxm n GLU 128 Ca 0.00 0.15 0.07 0.00 -0.02 0.00 0.00 57.16 57.36 3dxm n GLU 128 Cb 0.16 -1.37 0.03 0.00 -0.02 0.00 0.00 31.44 30.25 3dxm n GLU 128 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dxm n ASN 129 N -3.41 1.85 -2.73 1.62 3.02 -1.09 -5.00 115.26 109.52 3dxm n ASN 129 Ca -0.39 -1.43 -0.21 0.00 -0.03 0.00 0.00 54.58 52.52 3dxm n ASN 129 Cb 0.86 0.18 0.02 0.00 -0.61 0.00 0.00 39.78 40.24 3dxm n ASN 129 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3dxm n ASP 130 N 0.39 -5.88 -4.06 6.41 2.03 -0.19 -5.01 116.55 110.25 3dxm n ASP 130 Ca 0.07 -0.21 -0.10 0.00 0.52 0.00 0.00 54.79 55.06 3dxm n ASP 130 Cb 0.31 -4.74 -0.08 0.00 -0.72 0.00 0.00 41.12 35.89 3dxm n ASP 130 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 3dxm s TRP 131 N -3.11 0.67 0.02 -0.67 -0.00 -1.22 -4.99 118.94 109.64 3dxm s TRP 131 Ca 0.22 -1.00 -0.21 0.00 -0.00 0.00 0.00 56.10 55.11 3dxm s TRP 131 Cb -0.10 -0.21 -0.06 0.00 -0.00 0.00 0.00 33.47 33.10 3dxm s TRP 131 CO 0.27 -0.72 0.62 -1.58 -0.00 0.00 0.00 176.95 175.54 3dxm s TRP 132 N -4.04 3.72 0.30 1.66 0.52 -1.26 -2.22 118.94 117.61 3dxm s TRP 132 Ca 0.25 1.26 0.07 0.00 0.02 0.00 0.00 56.10 57.70 3dxm s TRP 132 Cb 0.04 -2.62 -0.06 0.00 -1.15 0.00 0.00 33.47 29.68 3dxm s TRP 132 CO 0.05 0.38 -0.05 0.14 0.02 0.00 0.00 176.95 177.50 3dxm s VAL 133 N -0.34 1.68 -0.05 4.03 -7.23 -0.34 -4.65 120.40 113.51 3dxm s VAL 133 Ca 0.32 -2.11 -0.13 0.00 -1.81 0.00 0.00 61.98 58.25 3dxm s VAL 133 Cb -0.19 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 34.23 3dxm s VAL 133 CO 0.18 -0.24 0.30 0.00 -0.31 0.00 0.00 175.10 175.03 3dxm s LYS 135 N -0.85 2.04 0.03 0.00 1.02 -0.27 -4.91 119.74 116.80 3dxm s LYS 135 Ca -0.09 -1.02 -0.06 0.00 0.02 0.00 0.00 55.97 54.82 3dxm s LYS 135 Cb -0.04 -2.21 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 3dxm s LYS 135 CO 0.03 0.52 0.28 -1.01 -0.92 0.00 0.00 175.35 174.26 3dxm s HIS 136 N -1.03 3.56 -0.34 3.18 3.76 -1.26 -0.59 115.29 122.58 3dxm s HIS 136 Ca 0.17 0.56 -0.03 0.00 -0.15 0.00 0.00 55.06 55.61 3dxm s HIS 136 Cb -0.11 -1.99 0.07 0.00 1.11 0.00 0.00 32.58 31.66 3dxm s HIS 136 CO 0.08 0.59 0.08 0.42 -0.85 0.00 0.00 174.74 175.05 3dxm s ILE 137 N -1.35 3.17 -0.06 0.60 1.01 -0.14 -4.95 121.20 119.48 3dxm s ILE 137 Ca 0.30 -1.57 -0.07 0.00 0.00 0.00 0.00 60.65 59.31 3dxm s ILE 137 Cb -0.13 -2.94 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 3dxm s ILE 137 CO 0.18 -0.30 -0.13 1.17 0.00 0.00 0.00 174.94 175.85 3dxm n LYS 138 N 4.63 0.20 -2.16 2.79 3.00 -1.26 -1.80 118.16 123.56 3dxm n LYS 138 Ca -0.09 0.08 -0.41 0.00 -0.00 0.00 0.00 58.31 57.89 3dxm n LYS 138 Cb 0.43 -0.80 -0.03 0.00 0.00 0.00 0.00 35.03 34.63 3dxm n LYS 138 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3dxm s LYS 139 N -1.83 4.37 -0.45 1.64 1.02 -1.26 -0.37 119.74 122.85 3dxm s LYS 139 Ca -0.11 2.14 0.03 0.00 0.02 0.00 0.00 55.97 58.05 3dxm s LYS 139 Cb 0.02 -3.14 0.45 0.00 -0.52 0.00 0.00 37.83 34.63 3dxm s LYS 139 CO 0.16 -0.24 1.50 -0.35 -0.92 0.00 0.00 175.35 175.50 3dxm n PRO 140 N 1.97 3.26 -2.07 -1.68 -0.04 -1.26 -4.89 135.00 130.28 3dxm n PRO 140 Ca 0.04 -3.89 -0.42 0.00 -0.04 0.00 0.00 63.50 59.19 3dxm n PRO 140 Cb 0.42 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.57 3dxm n PRO 140 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3dxm s ILE 141 N -4.79 3.50 -1.30 0.52 1.01 0.50 -4.90 121.20 115.75 3dxm s ILE 141 Ca 0.55 0.81 0.12 0.00 0.00 0.00 0.00 60.65 62.13 3dxm s ILE 141 Cb 0.44 -3.52 0.06 0.00 0.01 0.00 0.00 42.46 39.45 3dxm s ILE 141 CO -0.02 -0.03 0.80 0.54 0.00 0.00 0.00 174.94 176.22 3dxm n ARG 142 N 6.10 1.16 -3.55 2.79 1.74 -1.26 -4.84 116.66 118.80 3dxm n ARG 142 Ca 0.15 -0.99 -0.12 0.00 -0.77 0.00 0.00 57.85 56.12 3dxm n ARG 142 Cb 0.42 -1.18 -0.03 0.00 -1.02 0.00 0.00 32.46 30.65 3dxm n ARG 142 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3dxm n SER 143 N 0.32 -1.01 -4.75 0.55 2.88 -1.26 -4.94 113.62 105.42 3dxm n SER 143 Ca 0.06 -2.56 -0.42 0.00 -1.33 0.00 0.00 58.87 54.62 3dxm n SER 143 Cb 0.27 1.93 -0.01 0.00 -0.75 0.00 0.00 64.21 65.65 3dxm n SER 143 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3dxm n THR 144 N -0.47 1.14 -3.08 2.46 -1.04 -1.26 -4.16 114.28 107.87 3dxm n THR 144 Ca 0.01 -0.28 -0.41 0.00 -2.04 0.00 0.00 64.05 61.33 3dxm n THR 144 Cb 0.47 -1.95 -0.06 0.00 -1.82 0.00 0.00 70.33 66.97 3dxm n THR 144 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3dxm s VAL 145 N -0.14 4.92 -0.11 12.58 1.01 -0.66 -1.04 120.40 136.96 3dxm s VAL 145 Ca 0.63 0.99 0.08 0.00 0.00 0.00 0.00 61.98 63.68 3dxm s VAL 145 Cb -0.50 -4.01 -0.24 0.00 0.00 0.00 0.00 36.38 31.64 3dxm s VAL 145 CO 0.50 -0.12 0.39 0.18 0.00 0.00 0.00 175.10 176.06 3dxm n LEU 146 N 5.90 1.30 -3.97 3.92 4.77 0.36 -4.03 117.00 125.24 3dxm n LEU 146 Ca 0.00 0.23 -0.09 0.00 -0.03 0.00 0.00 56.01 56.13 3dxm n LEU 146 Cb 0.49 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 3dxm n LEU 146 CO 0.46 0.57 -0.26 -0.94 -1.33 0.00 0.00 177.39 175.88 3dxm s SER 147 N -6.23 0.27 -0.01 -1.43 1.04 -0.94 -4.66 113.70 101.74 3dxm s SER 147 Ca -0.13 -0.67 -0.09 0.00 0.48 0.00 0.00 55.95 55.54 3dxm s SER 147 Cb 0.07 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.41 3dxm s SER 147 CO 0.79 -0.52 0.19 -0.76 0.98 0.00 0.00 173.24 173.92 3dxm s LEU 148 N -2.31 1.34 -0.26 2.42 1.43 -1.26 -1.49 118.68 118.56 3dxm s LEU 148 Ca -0.02 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 52.85 3dxm s LEU 148 Cb 0.01 0.84 0.08 0.00 0.03 0.00 0.00 46.19 47.15 3dxm s LEU 148 CO -0.06 -0.37 0.61 -0.62 0.23 0.00 0.00 176.35 176.14 3dxm s ASP 149 N -1.28 -0.85 0.43 2.29 2.15 -0.85 -4.87 116.67 113.70 3dxm s ASP 149 Ca -0.13 1.37 -0.18 0.00 0.43 0.00 0.00 52.55 54.03 3dxm s ASP 149 Cb -0.07 1.38 -0.10 0.00 -0.30 0.00 0.00 42.92 43.84 3dxm s ASP 149 CO 0.02 -0.23 0.91 0.26 -0.17 0.00 0.00 175.17 175.96 3dxm s TRP 150 N 1.82 3.36 0.35 -5.34 0.52 -1.26 -1.05 118.94 117.34 3dxm s TRP 150 Ca -0.09 1.46 -0.13 0.00 0.02 0.00 0.00 56.10 57.36 3dxm s TRP 150 Cb -0.07 -2.75 -0.08 0.00 -1.15 0.00 0.00 33.47 29.42 3dxm s TRP 150 CO -0.18 -0.13 0.74 -1.58 0.02 0.00 0.00 176.95 175.83 3dxm s HIS 151 N -2.26 3.41 0.56 -1.98 5.65 -0.63 -4.67 115.29 115.36 3dxm s HIS 151 Ca 0.59 1.15 0.27 0.00 0.25 0.00 0.00 55.06 57.32 3dxm s HIS 151 Cb -0.10 -2.50 1.48 0.00 -1.18 0.00 0.00 32.58 30.29 3dxm s HIS 151 CO 0.19 0.02 2.02 -1.00 -0.65 0.00 0.00 174.74 175.32 3dxm h PRO 152 N 1.90 0.00 0.00 2.88 0.13 -1.87 -0.59 132.00 134.46 3dxm h PRO 152 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3dxm h PRO 152 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3dxm h PRO 152 CO 0.65 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.69 3dxm n ASN 153 N -4.09 0.00 -0.44 1.44 0.23 -1.26 -4.82 115.26 106.32 3dxm n ASN 153 Ca 0.06 -0.51 -0.06 0.00 -0.53 0.00 0.00 54.58 53.55 3dxm n ASN 153 Cb 0.51 -0.06 -0.02 0.00 -2.08 0.00 0.00 39.78 38.13 3dxm n ASN 153 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3dxm n SER 154 N -1.06 -5.39 -0.02 0.53 7.64 -0.23 -4.78 113.62 110.32 3dxm n SER 154 Ca 0.14 0.14 -0.06 0.00 1.01 0.00 0.00 58.87 60.10 3dxm n SER 154 Cb 0.09 -3.39 -0.02 0.00 -1.01 0.00 0.00 64.21 59.88 3dxm n SER 154 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3dxm n VAL 155 N -2.27 0.94 -2.25 0.44 0.31 -1.26 -4.87 118.33 109.37 3dxm n VAL 155 Ca -0.06 0.12 -0.40 0.00 -0.01 0.00 0.00 64.34 64.00 3dxm n VAL 155 Cb 0.47 -1.73 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 3dxm n VAL 155 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3dxm s LEU 156 N -6.92 4.38 -0.03 7.52 1.43 -1.26 0.18 118.68 123.98 3dxm s LEU 156 Ca -0.11 2.48 -0.01 0.00 -1.03 0.00 0.00 54.13 55.47 3dxm s LEU 156 Cb 0.03 -3.76 0.03 0.00 0.03 0.00 0.00 46.19 42.52 3dxm s LEU 156 CO 0.14 -0.49 0.03 -0.22 0.23 0.00 0.00 176.35 176.04 3dxm s LEU 157 N -1.93 0.77 0.04 1.79 2.96 0.11 -1.61 118.68 120.81 3dxm s LEU 157 Ca 0.50 0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 54.29 3dxm s LEU 157 Cb -0.35 -0.17 -0.06 0.00 0.50 0.00 0.00 46.19 46.11 3dxm s LEU 157 CO 0.46 -0.16 0.45 0.00 -1.32 0.00 0.00 176.35 175.77 3dxm s ALA 158 N 1.47 3.67 0.01 5.97 0.00 -0.21 -0.12 121.76 132.54 3dxm s ALA 158 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3dxm s ALA 158 Cb -0.13 -2.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 3dxm s ALA 158 CO -0.03 0.48 -0.01 0.00 0.00 0.00 0.00 175.76 176.20 3dxm s ALA 159 N -1.18 0.07 -0.05 0.00 0.00 0.17 -2.00 121.76 118.77 3dxm s ALA 159 Ca 0.28 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.13 3dxm s ALA 159 Cb -0.16 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3dxm s ALA 159 CO 0.16 -0.03 -0.24 0.20 0.00 0.00 0.00 175.76 175.85 3dxm s GLY 160 N -0.37 1.23 0.25 0.00 0.00 -0.55 -0.27 107.32 107.60 3dxm s GLY 160 Ca -0.04 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.71 3dxm s GLY 160 CO -0.00 -0.60 0.11 -1.35 0.00 0.00 0.00 173.10 171.26 3dxm s SER 161 N -0.13 0.95 0.00 1.64 1.04 -0.89 -0.49 113.70 115.82 3dxm s SER 161 Ca -0.03 -1.41 0.17 0.00 0.48 0.00 0.00 55.95 55.16 3dxm s SER 161 Cb -0.13 0.25 0.87 0.00 0.10 0.00 0.00 66.02 67.10 3dxm s SER 161 CO 0.03 -0.78 1.48 0.00 0.98 0.00 0.00 173.24 174.96 3dxm n ASP 163 N -1.25 3.39 -0.81 0.00 5.68 -1.26 -4.74 116.55 117.56 3dxm n ASP 163 Ca 0.09 -2.66 -0.11 0.00 -0.50 0.00 0.00 54.79 51.61 3dxm n ASP 163 Cb 0.12 -0.64 -0.05 0.00 -1.14 0.00 0.00 41.12 39.42 3dxm n ASP 163 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3dxm n PHE 164 N -0.03 0.00 -4.29 2.11 0.99 -1.03 -4.94 117.46 110.27 3dxm n PHE 164 Ca 0.23 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.38 3dxm n PHE 164 Cb 0.93 -2.51 -0.11 0.00 -1.00 0.00 0.00 39.48 36.79 3dxm n PHE 164 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3dxm s LYS 165 N -2.78 1.92 -0.22 -1.08 -0.14 -1.25 -4.61 119.74 111.59 3dxm s LYS 165 Ca 0.00 -1.12 -0.00 0.00 -1.36 0.00 0.00 55.97 53.49 3dxm s LYS 165 Cb 0.00 -2.19 0.02 0.00 -1.68 0.00 0.00 37.83 33.99 3dxm s LYS 165 CO 0.00 0.49 -0.12 0.00 -0.76 0.00 0.00 175.35 174.97 3dxm s ARG 167 N 1.31 1.50 -0.15 0.00 0.52 0.63 -1.72 118.95 121.05 3dxm s ARG 167 Ca 0.02 -1.65 0.01 0.00 -0.52 0.00 0.00 55.73 53.59 3dxm s ARG 167 Cb -0.15 -1.51 0.02 0.00 0.52 0.00 0.00 34.95 33.83 3dxm s ARG 167 CO -0.08 0.28 -0.15 0.42 0.02 0.00 0.00 175.30 175.80 3dxm s ILE 168 N -2.54 1.61 0.38 1.52 1.01 -0.47 0.45 121.20 123.16 3dxm s ILE 168 Ca 0.25 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 60.32 3dxm s ILE 168 Cb -0.04 -1.50 -0.06 0.00 0.01 0.00 0.00 42.46 40.87 3dxm s ILE 168 CO 0.11 0.46 0.07 -0.36 0.00 0.00 0.00 174.94 175.22 3dxm s PHE 169 N 1.42 2.56 -0.23 3.97 0.40 0.82 -0.51 117.98 126.40 3dxm s PHE 169 Ca 0.04 -0.55 -0.09 0.00 -0.60 0.00 0.00 56.93 55.73 3dxm s PHE 169 Cb -0.13 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 3dxm s PHE 169 CO -0.10 0.37 0.12 0.45 0.70 0.00 0.00 175.22 176.76 3dxm s SER 170 N -3.78 5.75 -0.38 1.36 0.15 -0.78 0.08 113.70 116.10 3dxm s SER 170 Ca 0.37 0.02 0.06 0.00 0.70 0.00 0.00 55.95 57.09 3dxm s SER 170 Cb 0.04 -2.03 0.54 0.00 -1.71 0.00 0.00 66.02 62.86 3dxm s SER 170 CO 0.20 0.06 1.64 0.00 1.20 0.00 0.00 173.24 176.34 3dxm n ALA 171 N 4.32 5.01 -1.64 5.45 0.00 0.13 -0.21 120.51 133.56 3dxm n ALA 171 Ca -0.16 -3.19 -0.45 0.00 0.00 0.00 0.00 53.44 49.65 3dxm n ALA 171 Cb 0.52 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 3dxm n ALA 171 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3dxm n TYR 172 N -1.07 2.28 -3.93 0.00 -0.00 -1.26 -4.91 117.16 108.27 3dxm n TYR 172 Ca 0.45 -0.17 -0.31 0.00 -0.00 0.00 0.00 57.90 57.88 3dxm n TYR 172 Cb 1.16 -2.73 -0.15 0.00 -0.00 0.00 0.00 39.34 37.62 3dxm n TYR 172 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 3dxm s ILE 173 N 5.39 1.93 0.66 2.97 -1.09 -1.26 -4.18 121.20 125.62 3dxm s ILE 173 Ca 0.94 -2.23 0.41 0.00 -2.23 0.00 0.00 60.65 57.54 3dxm s ILE 173 Cb -0.52 -2.42 0.42 0.00 -1.58 0.00 0.00 42.46 38.36 3dxm s ILE 173 CO 0.44 -0.65 2.31 0.07 -1.23 0.00 0.00 174.94 175.88 3dxm h LYS 174 N 7.57 0.00 -0.29 2.79 2.10 -1.93 -2.75 116.57 124.06 3dxm h LYS 174 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3dxm h LYS 174 Cb 1.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 3dxm h LYS 174 CO 0.52 0.00 0.00 -0.85 -2.00 0.00 0.00 179.45 177.12 3dxm n GLU 175 N -3.19 1.43 0.00 0.07 0.28 -1.26 -3.69 120.64 114.28 3dxm n GLU 175 Ca -0.03 -0.55 0.00 0.00 -0.16 0.00 0.00 57.16 56.42 3dxm n GLU 175 Cb 0.11 -1.22 0.00 0.00 1.43 0.00 0.00 31.44 31.76 3dxm n GLU 175 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3dxm n VAL 176 N -0.03 0.00 -3.94 3.84 0.24 -1.05 -5.10 118.33 112.29 3dxm n VAL 176 Ca 0.05 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.23 3dxm n VAL 176 Cb 0.19 0.88 -0.00 0.00 -1.47 0.00 0.00 33.84 33.44 3dxm n VAL 176 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3dxm s GLU 177 N 0.00 2.12 0.19 7.34 -1.05 -1.13 -5.01 118.70 121.16 3dxm s GLU 177 Ca 0.00 -1.63 0.02 0.00 -0.15 0.00 0.00 54.97 53.21 3dxm s GLU 177 Cb 0.00 0.54 -0.05 0.00 -0.44 0.00 0.00 34.13 34.18 3dxm s GLU 177 CO 0.00 -0.95 0.02 -1.83 0.95 0.00 0.00 175.26 173.45 3dxm s GLU 178 N -2.56 1.16 -0.02 -4.83 -1.05 -1.26 -4.30 118.70 105.83 3dxm s GLU 178 Ca 0.23 -1.57 -0.02 0.00 -0.15 0.00 0.00 54.97 53.46 3dxm s GLU 178 Cb -0.03 -0.26 -0.01 0.00 -0.44 0.00 0.00 34.13 33.39 3dxm s GLU 178 CO 0.16 -0.16 0.10 0.54 0.95 0.00 0.00 175.26 176.86 3dxm n ARG 179 N -0.28 0.00 -2.59 -4.83 3.00 -1.26 -4.84 116.66 105.87 3dxm n ARG 179 Ca -0.05 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.42 3dxm n ARG 179 Cb 0.64 -0.07 -0.04 0.00 0.00 0.00 0.00 32.46 32.98 3dxm n ARG 179 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3dxm s PRO 180 N 0.29 4.20 0.63 5.56 0.02 -1.26 -5.02 135.00 139.42 3dxm s PRO 180 Ca 0.06 1.46 -0.17 0.00 0.02 0.00 0.00 61.00 62.37 3dxm s PRO 180 Cb -0.07 -2.53 -0.02 0.00 0.02 0.00 0.00 34.50 31.90 3dxm s PRO 180 CO 0.03 -0.10 1.15 0.00 -0.33 0.00 0.00 177.00 177.76 3dxm s ALA 181 N -1.70 2.49 0.98 -1.55 0.00 -1.26 -4.96 121.76 115.75 3dxm s ALA 181 Ca 0.58 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 53.18 3dxm s ALA 181 Cb -0.20 -3.38 0.13 0.00 0.00 0.00 0.00 23.12 19.66 3dxm s ALA 181 CO 0.26 -1.22 0.79 -2.30 0.00 0.00 0.00 175.76 173.29 3dxm n PRO 182 N -2.00 -0.80 -3.94 0.00 -0.02 -1.26 -5.04 135.00 121.93 3dxm n PRO 182 Ca 0.12 -0.19 -0.09 0.00 -2.02 0.00 0.00 63.50 61.32 3dxm n PRO 182 Cb 0.51 -2.12 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 3dxm n PRO 182 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3dxm s THR 183 N -2.49 0.13 -0.26 3.45 2.01 -1.10 -5.01 115.64 112.36 3dxm s THR 183 Ca 0.63 -1.06 0.14 0.00 0.31 0.00 0.00 61.69 61.72 3dxm s THR 183 Cb -0.22 -0.76 0.14 0.00 0.01 0.00 0.00 72.50 71.68 3dxm s THR 183 CO 0.63 -0.58 1.38 -2.65 -0.69 0.00 0.00 174.62 172.71 3dxm n PRO 184 N 0.97 0.09 0.21 4.92 -0.02 -1.26 -0.13 135.00 139.78 3dxm n PRO 184 Ca -0.20 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 3dxm n PRO 184 Cb 0.58 -1.92 0.34 0.00 -0.02 0.00 0.00 33.50 32.48 3dxm n PRO 184 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 3dxm h TRP 185 N 0.00 0.00 0.00 6.00 4.06 -1.95 -3.47 115.95 120.59 3dxm h TRP 185 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3dxm h TRP 185 Cb 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.39 3dxm h TRP 185 CO 0.00 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.29 3dxm n GLY 186 N 0.83 3.49 0.10 1.49 0.00 0.82 -4.90 105.19 107.02 3dxm n GLY 186 Ca 0.03 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 3dxm n GLY 186 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dxm n SER 187 N 0.00 0.85 -4.52 1.61 7.64 -1.26 -2.71 113.62 115.23 3dxm n SER 187 Ca 0.00 0.14 -0.43 0.00 1.01 0.00 0.00 58.87 59.59 3dxm n SER 187 Cb 0.00 0.21 -0.07 0.00 -1.01 0.00 0.00 64.21 63.33 3dxm n SER 187 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3dxm s LYS 188 N -2.54 3.33 -0.43 1.43 -0.14 -1.26 -4.84 119.74 115.29 3dxm s LYS 188 Ca -0.14 -0.41 0.05 0.00 -1.36 0.00 0.00 55.97 54.12 3dxm s LYS 188 Cb 0.07 -3.92 0.42 0.00 -1.68 0.00 0.00 37.83 32.73 3dxm s LYS 188 CO 0.79 -0.87 1.11 -1.33 -0.76 0.00 0.00 175.35 174.29 3dxm n MET 189 N 5.96 3.41 -1.63 1.68 2.81 -1.26 -5.00 117.12 123.08 3dxm n MET 189 Ca -0.04 -4.48 -0.34 0.00 -1.81 0.00 0.00 57.70 51.03 3dxm n MET 189 Cb 0.48 -2.24 0.07 0.00 -0.71 0.00 0.00 33.22 30.82 3dxm n MET 189 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3dxm s PRO 190 N -3.54 2.52 0.10 0.03 0.04 -1.26 -4.51 135.00 128.38 3dxm s PRO 190 Ca 0.48 1.57 -0.36 0.00 0.04 0.00 0.00 61.00 62.73 3dxm s PRO 190 Cb 0.40 -1.90 -0.16 0.00 0.04 0.00 0.00 34.50 32.88 3dxm s PRO 190 CO -0.18 -1.50 1.39 0.34 0.04 0.00 0.00 177.00 177.09 3dxm n PHE 191 N -2.50 1.66 -0.96 0.56 7.35 -1.26 -1.54 117.46 120.78 3dxm n PHE 191 Ca 0.12 0.57 0.00 0.00 -0.76 0.00 0.00 57.45 57.37 3dxm n PHE 191 Cb 0.51 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 37.97 3dxm n PHE 191 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dxm n GLY 192 N 2.69 0.82 3.73 7.13 0.00 0.70 -4.98 105.19 115.28 3dxm n GLY 192 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3dxm n GLY 192 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dxm s GLU 193 N -0.11 4.18 -0.47 1.61 2.56 -0.59 -4.72 118.70 121.17 3dxm s GLU 193 Ca 0.00 2.47 -0.25 0.00 0.00 0.00 0.00 54.97 57.18 3dxm s GLU 193 Cb 0.00 -3.10 0.03 0.00 2.00 0.00 0.00 34.13 33.06 3dxm s GLU 193 CO 0.00 -0.63 0.92 -1.17 -0.56 0.00 0.00 175.26 173.82 3dxm s LEU 194 N 0.62 4.03 -0.05 2.70 2.96 -1.26 -1.86 118.68 125.82 3dxm s LEU 194 Ca 0.69 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.67 3dxm s LEU 194 Cb -0.46 -3.15 -0.26 0.00 0.50 0.00 0.00 46.19 42.82 3dxm s LEU 194 CO 0.36 -1.06 0.65 0.24 -1.32 0.00 0.00 176.35 175.23 3dxm h MET 195 N 9.10 0.18 -2.48 1.98 2.86 -1.15 -3.49 114.93 121.92 3dxm h MET 195 Ca -0.24 -0.30 -0.09 0.00 -2.06 0.00 0.00 59.70 57.01 3dxm h MET 195 Cb 1.08 0.11 -0.20 0.00 0.06 0.00 0.00 31.60 32.64 3dxm h MET 195 CO 1.03 0.96 -0.05 0.12 1.06 0.00 0.00 176.91 180.03 3dxm s PHE 196 N -2.59 -0.47 -0.13 -0.22 5.36 -1.10 -4.96 117.98 113.86 3dxm s PHE 196 Ca -0.12 0.90 -0.06 0.00 -0.96 0.00 0.00 56.93 56.69 3dxm s PHE 196 Cb 0.07 0.24 0.06 0.00 -0.34 0.00 0.00 43.02 43.06 3dxm s PHE 196 CO 0.82 -0.45 0.29 -2.00 -1.46 0.00 0.00 175.22 172.42 3dxm s GLU 197 N -0.87 0.21 0.92 10.12 2.12 -1.26 -1.37 118.70 128.58 3dxm s GLU 197 Ca -0.09 0.71 -0.10 0.00 0.36 0.00 0.00 54.97 55.84 3dxm s GLU 197 Cb -0.03 -0.03 0.15 0.00 0.26 0.00 0.00 34.13 34.48 3dxm s GLU 197 CO 0.06 -0.22 1.14 -1.54 -0.54 0.00 0.00 175.26 174.15 3dxm s SER 198 N 1.91 2.85 -0.47 -1.70 1.04 -0.70 -4.97 113.70 111.67 3dxm s SER 198 Ca -0.04 2.15 0.03 0.00 0.48 0.00 0.00 55.95 58.57 3dxm s SER 198 Cb -0.11 -2.55 0.46 0.00 0.10 0.00 0.00 66.02 63.92 3dxm s SER 198 CO -0.09 -3.14 1.62 -1.54 0.98 0.00 0.00 173.24 171.06 3dxm n SER 199 N -4.25 5.98 -4.31 7.02 3.41 -1.26 -4.83 113.62 115.38 3dxm n SER 199 Ca 0.11 -3.77 -0.27 0.00 -0.26 0.00 0.00 58.87 54.69 3dxm n SER 199 Cb 0.52 -0.67 -0.13 0.00 -0.26 0.00 0.00 64.21 63.67 3dxm n SER 199 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dxm s SER 200 N -2.66 2.82 -0.29 4.04 0.15 -1.26 -5.03 113.70 111.46 3dxm s SER 200 Ca 0.57 -0.64 0.07 0.00 0.70 0.00 0.00 55.95 56.65 3dxm s SER 200 Cb 0.46 -0.20 0.45 0.00 -1.71 0.00 0.00 66.02 65.02 3dxm s SER 200 CO 0.02 0.15 1.24 -0.24 1.20 0.00 0.00 173.24 175.60 3dxm n SER 201 N 1.37 4.49 -3.78 5.45 2.88 -1.26 -4.64 113.62 118.14 3dxm n SER 201 Ca -0.18 -3.78 -0.14 0.00 -1.33 0.00 0.00 58.87 53.45 3dxm n SER 201 Cb 0.53 -0.40 -0.15 0.00 -0.75 0.00 0.00 64.21 63.44 3dxm n SER 201 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dxm n GLY 203 N 3.89 -3.57 3.77 0.00 0.00 -1.26 -4.68 105.19 103.33 3dxm n GLY 203 Ca -0.23 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 3dxm n GLY 203 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3dxm s TRP 204 N -0.46 2.93 -0.81 1.61 0.51 -1.26 -4.19 118.94 117.27 3dxm s TRP 204 Ca 0.00 1.32 -0.20 0.00 -2.12 0.00 0.00 56.10 55.09 3dxm s TRP 204 Cb 0.00 -3.78 0.10 0.00 -0.81 0.00 0.00 33.47 28.99 3dxm s TRP 204 CO 0.00 -2.22 1.05 0.08 -0.51 0.00 0.00 176.95 175.35 3dxm s VAL 205 N -1.02 4.56 0.25 4.03 1.01 -1.01 -0.83 120.40 127.38 3dxm s VAL 205 Ca 0.51 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 3dxm s VAL 205 Cb -0.42 -4.74 0.11 0.00 0.00 0.00 0.00 36.38 31.34 3dxm s VAL 205 CO 0.54 -1.48 1.75 0.45 0.00 0.00 0.00 175.10 176.36 3dxm h HIS 206 N 9.16 0.92 -2.97 5.22 3.86 -1.70 -3.34 115.15 126.29 3dxm h HIS 206 Ca -0.04 -0.13 -0.13 0.00 -1.16 0.00 0.00 60.37 58.92 3dxm h HIS 206 Cb 1.04 -0.25 -0.23 0.00 1.06 0.00 0.00 27.41 29.04 3dxm h HIS 206 CO 1.08 0.82 -0.30 0.20 0.86 0.00 0.00 177.93 180.59 3dxm s GLY 207 N -3.67 -0.21 0.11 2.45 0.00 -1.20 -4.37 107.32 100.42 3dxm s GLY 207 Ca -0.10 0.66 0.05 0.00 0.00 0.00 0.00 44.72 45.33 3dxm s GLY 207 CO 0.82 0.49 -0.12 -1.34 0.00 0.00 0.00 173.10 172.95 3dxm s VAL 208 N -0.52 1.11 -0.27 1.40 -7.23 -1.26 -1.51 120.40 112.12 3dxm s VAL 208 Ca -0.06 -1.65 -0.21 0.00 -1.81 0.00 0.00 61.98 58.25 3dxm s VAL 208 Cb -0.04 -1.41 0.07 0.00 0.56 0.00 0.00 36.38 35.57 3dxm s VAL 208 CO 0.02 -0.48 0.70 0.00 -0.31 0.00 0.00 175.10 175.04 3dxm s PHE 210 N 0.96 3.47 0.96 0.00 2.99 -1.26 -0.56 117.98 124.54 3dxm s PHE 210 Ca -0.05 0.88 -0.13 0.00 0.00 0.00 0.00 56.93 57.63 3dxm s PHE 210 Cb -0.05 -2.25 0.17 0.00 0.00 0.00 0.00 43.02 40.88 3dxm s PHE 210 CO -0.09 0.33 1.15 -1.54 -0.00 0.00 0.00 175.22 175.07 3dxm s SER 211 N -2.21 3.10 0.26 1.36 1.04 0.32 -4.71 113.70 112.86 3dxm s SER 211 Ca 0.44 0.87 -0.03 0.00 0.48 0.00 0.00 55.95 57.71 3dxm s SER 211 Cb -0.12 -1.37 0.40 0.00 0.10 0.00 0.00 66.02 65.04 3dxm s SER 211 CO 0.21 -2.80 1.85 0.00 0.98 0.00 0.00 173.24 173.48 3dxm h ALA 212 N -1.67 1.30 -0.00 5.32 0.00 -1.89 -1.68 119.26 120.64 3dxm h ALA 212 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3dxm h ALA 212 Cb 1.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3dxm h ALA 212 CO 0.56 0.29 -0.47 0.27 0.00 0.00 0.00 179.25 179.91 3dxm n ASN 213 N -4.60 0.61 0.00 0.00 0.23 -1.26 -4.74 115.26 105.49 3dxm n ASN 213 Ca 0.15 -0.39 0.00 0.00 -0.53 0.00 0.00 54.58 53.81 3dxm n ASN 213 Cb 0.23 0.25 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 3dxm n ASN 213 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dxm n GLY 214 N 1.47 0.89 0.08 4.83 0.00 -0.63 -4.84 105.19 106.99 3dxm n GLY 214 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 3dxm n GLY 214 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dxm n SER 215 N 0.00 0.31 -4.08 1.61 3.41 -1.26 -4.79 113.62 108.82 3dxm n SER 215 Ca 0.00 -0.46 -0.19 0.00 -0.26 0.00 0.00 58.87 57.96 3dxm n SER 215 Cb 0.00 -0.13 -0.14 0.00 -0.26 0.00 0.00 64.21 63.68 3dxm n SER 215 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3dxm s ARG 216 N -2.49 0.85 -0.02 4.33 0.52 -1.26 -1.40 118.95 119.48 3dxm s ARG 216 Ca 0.29 -0.54 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 3dxm s ARG 216 Cb 0.20 -0.82 0.01 0.00 0.52 0.00 0.00 34.95 34.86 3dxm s ARG 216 CO 0.47 0.21 -0.06 0.54 0.02 0.00 0.00 175.30 176.48 3dxm s VAL 217 N -0.54 0.55 0.14 3.52 0.11 -1.01 -0.52 120.40 122.64 3dxm s VAL 217 Ca 0.02 -0.21 0.08 0.00 -2.93 0.00 0.00 61.98 58.94 3dxm s VAL 217 Cb -0.06 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 3dxm s VAL 217 CO 0.00 0.19 -0.19 0.00 -3.33 0.00 0.00 175.10 171.77 3dxm s ALA 218 N 0.36 1.93 0.02 1.54 0.00 0.28 -0.39 121.76 125.49 3dxm s ALA 218 Ca -0.05 -1.40 -0.21 0.00 0.00 0.00 0.00 51.96 50.30 3dxm s ALA 218 Cb -0.09 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.87 3dxm s ALA 218 CO 0.00 0.28 0.48 1.67 0.00 0.00 0.00 175.76 178.19 3dxm s TRP 219 N -1.73 -0.38 -0.04 0.00 -2.14 -0.36 -0.49 118.94 113.81 3dxm s TRP 219 Ca 0.12 0.49 0.07 0.00 2.66 0.00 0.00 56.10 59.44 3dxm s TRP 219 Cb -0.07 0.27 -0.02 0.00 -3.10 0.00 0.00 33.47 30.55 3dxm s TRP 219 CO 0.06 -0.57 -0.23 0.14 -2.66 0.00 0.00 176.95 173.68 3dxm s VAL 220 N -1.99 2.25 0.42 -0.66 -7.23 -0.57 -0.43 120.40 112.19 3dxm s VAL 220 Ca -0.08 -1.02 0.06 0.00 -1.81 0.00 0.00 61.98 59.13 3dxm s VAL 220 Cb -0.01 -1.81 -0.07 0.00 0.56 0.00 0.00 36.38 35.05 3dxm s VAL 220 CO 0.02 0.58 0.02 -0.44 -0.31 0.00 0.00 175.10 174.96 3dxm s SER 221 N -0.49 3.93 0.33 4.85 0.01 -0.92 -2.06 113.70 119.36 3dxm s SER 221 Ca 0.06 -1.39 0.26 0.00 1.31 0.00 0.00 55.95 56.19 3dxm s SER 221 Cb -0.11 -0.30 1.10 0.00 0.21 0.00 0.00 66.02 66.92 3dxm s SER 221 CO 0.01 -0.50 1.78 -0.74 0.41 0.00 0.00 173.24 174.19 3dxm h HIS 222 N 1.70 0.00 -0.12 2.43 2.76 -1.19 -3.02 115.15 117.71 3dxm h HIS 222 Ca -0.44 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 57.68 3dxm h HIS 222 Cb 1.25 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.18 3dxm h HIS 222 CO 0.82 0.00 0.07 -0.40 -1.30 0.00 0.00 177.93 177.11 3dxm n ASP 223 N -2.43 2.69 -3.84 3.26 5.75 -1.26 -4.64 116.55 116.08 3dxm n ASP 223 Ca 0.02 -2.20 -0.26 0.00 -0.01 0.00 0.00 54.79 52.34 3dxm n ASP 223 Cb 0.23 -0.54 0.02 0.00 -1.03 0.00 0.00 41.12 39.80 3dxm n ASP 223 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3dxm n SER 224 N 0.22 -2.55 -4.21 -1.12 7.64 -1.14 -4.84 113.62 107.63 3dxm n SER 224 Ca 0.07 -0.84 -0.16 0.00 1.01 0.00 0.00 58.87 58.96 3dxm n SER 224 Cb 0.58 -3.80 -0.11 0.00 -1.01 0.00 0.00 64.21 59.87 3dxm n SER 224 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3dxm s THR 225 N -3.55 1.11 -0.06 0.44 -4.23 -1.25 -0.27 115.64 107.83 3dxm s THR 225 Ca 0.29 -1.69 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 3dxm s THR 225 Cb -0.15 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.24 3dxm s THR 225 CO 0.83 -0.51 -0.16 0.54 -0.54 0.00 0.00 174.62 174.78 3dxm s VAL 226 N -2.37 1.42 0.17 2.29 0.11 -0.83 -2.16 120.40 119.04 3dxm s VAL 226 Ca 0.07 -0.68 0.07 0.00 -2.93 0.00 0.00 61.98 58.52 3dxm s VAL 226 Cb -0.03 -1.25 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 3dxm s VAL 226 CO 0.01 0.42 -0.15 0.00 -3.33 0.00 0.00 175.10 172.04 3dxm s LEU 228 N -2.92 -0.11 -0.24 0.00 0.20 -0.42 -1.22 118.68 113.97 3dxm s LEU 228 Ca 0.17 0.43 -0.12 0.00 0.69 0.00 0.00 54.13 55.30 3dxm s LEU 228 Cb -0.03 0.44 -0.05 0.00 -0.43 0.00 0.00 46.19 46.12 3dxm s LEU 228 CO 0.06 -0.24 0.24 0.00 -0.29 0.00 0.00 176.35 176.12 3dxm s ALA 229 N 2.26 3.58 -0.48 5.97 0.00 0.48 -1.06 121.76 132.51 3dxm s ALA 229 Ca 0.02 -0.82 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 3dxm s ALA 229 Cb -0.12 -2.46 0.07 0.00 0.00 0.00 0.00 23.12 20.62 3dxm s ALA 229 CO -0.07 -0.31 0.42 0.34 0.00 0.00 0.00 175.76 176.14 3dxm s ASP 230 N 1.21 6.16 0.61 0.00 -1.08 0.22 -2.42 116.67 121.37 3dxm s ASP 230 Ca 0.11 -1.32 0.39 0.00 -0.52 0.00 0.00 52.55 51.21 3dxm s ASP 230 Cb -0.14 -2.19 1.92 0.00 -1.46 0.00 0.00 42.92 41.04 3dxm s ASP 230 CO 0.07 -0.68 2.19 0.00 0.52 0.00 0.00 175.17 177.28 3dxm h ALA 231 N 8.78 1.04 -0.01 3.66 0.00 -1.55 0.20 119.26 131.39 3dxm h ALA 231 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3dxm h ALA 231 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dxm h ALA 231 CO 0.89 0.02 -0.05 -0.25 0.00 0.00 0.00 179.25 179.85 3dxm n ASP 232 N -3.16 1.05 -2.43 0.00 8.00 -1.26 -3.69 116.55 115.07 3dxm n ASP 232 Ca -0.02 -1.20 -0.19 0.00 0.71 0.00 0.00 54.79 54.09 3dxm n ASP 232 Cb 0.18 0.01 0.02 0.00 -0.02 0.00 0.00 41.12 41.31 3dxm n ASP 232 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3dxm n LYS 233 N -0.29 2.81 -3.27 -1.24 5.02 -0.55 -4.92 118.16 115.73 3dxm n LYS 233 Ca 0.18 -4.03 -0.24 0.00 -2.02 0.00 0.00 58.31 52.21 3dxm n LYS 233 Cb 0.31 -1.98 0.03 0.00 -0.02 0.00 0.00 35.03 33.37 3dxm n LYS 233 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dxm n LYS 234 N -0.49 -4.98 -2.62 1.97 4.76 -1.24 -1.41 118.16 114.15 3dxm n LYS 234 Ca 0.30 0.76 -0.18 0.00 -2.87 0.00 0.00 58.31 56.32 3dxm n LYS 234 Cb 0.80 -5.61 0.01 0.00 -1.84 0.00 0.00 35.03 28.39 3dxm n LYS 234 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3dxm n MET 235 N -4.15 -2.80 -1.98 1.97 2.81 0.60 -4.95 117.12 108.62 3dxm n MET 235 Ca -0.06 0.82 -0.40 0.00 -1.81 0.00 0.00 57.70 56.25 3dxm n MET 235 Cb 0.58 -5.34 -0.01 0.00 -0.71 0.00 0.00 33.22 27.74 3dxm n MET 235 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dxm s ALA 236 N -2.98 3.40 -0.22 3.04 0.00 -0.50 -4.48 121.76 120.01 3dxm s ALA 236 Ca 0.13 1.35 -0.06 0.00 0.00 0.00 0.00 51.96 53.38 3dxm s ALA 236 Cb -0.06 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 3dxm s ALA 236 CO 0.16 -0.87 0.02 0.08 0.00 0.00 0.00 175.76 175.15 3dxm s VAL 237 N -1.18 4.01 -0.16 0.00 1.01 -1.26 -0.61 120.40 122.21 3dxm s VAL 237 Ca 0.54 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 3dxm s VAL 237 Cb -0.41 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 3dxm s VAL 237 CO 0.54 0.39 0.20 0.00 0.00 0.00 0.00 175.10 176.24 3dxm s ALA 238 N 1.32 3.70 0.16 5.51 0.00 -0.23 -4.95 121.76 127.26 3dxm s ALA 238 Ca 0.04 -0.57 0.09 0.00 0.00 0.00 0.00 51.96 51.52 3dxm s ALA 238 Cb -0.15 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 3dxm s ALA 238 CO 0.02 0.25 -0.19 0.99 0.00 0.00 0.00 175.76 176.83 3dxm s THR 239 N 0.02 1.83 -0.18 0.00 2.01 -1.26 -1.30 115.64 116.76 3dxm s THR 239 Ca 0.13 -1.90 -0.04 0.00 0.31 0.00 0.00 61.69 60.19 3dxm s THR 239 Cb -0.12 -1.84 0.09 0.00 0.01 0.00 0.00 72.50 70.64 3dxm s THR 239 CO 0.02 -0.29 0.24 -0.22 -0.69 0.00 0.00 174.62 173.68 3dxm s LEU 240 N -2.62 -0.20 -0.20 4.42 2.96 -0.74 -4.58 118.68 117.72 3dxm s LEU 240 Ca 0.15 0.07 -0.24 0.00 -0.22 0.00 0.00 54.13 53.89 3dxm s LEU 240 Cb -0.06 0.52 -0.01 0.00 0.50 0.00 0.00 46.19 47.14 3dxm s LEU 240 CO 0.07 -0.30 0.80 0.00 -1.32 0.00 0.00 176.35 175.60 3dxm s ALA 241 N 2.37 3.56 0.40 5.97 0.00 -1.26 -1.96 121.76 130.85 3dxm s ALA 241 Ca 0.06 -0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.83 3dxm s ALA 241 Cb -0.14 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 3dxm s ALA 241 CO -0.11 -0.72 0.79 0.45 0.00 0.00 0.00 175.76 176.16 3dxm s SER 242 N 1.23 6.57 0.00 0.00 0.15 0.63 -4.98 113.70 117.30 3dxm s SER 242 Ca 0.36 1.20 0.27 0.00 0.70 0.00 0.00 55.95 58.47 3dxm s SER 242 Cb -0.16 -2.35 0.78 0.00 -1.71 0.00 0.00 66.02 62.58 3dxm s SER 242 CO 0.10 -0.39 1.58 -0.62 1.20 0.00 0.00 173.24 175.12 3dxm n GLU 243 N -1.18 1.26 -1.76 5.44 1.02 -1.26 -4.91 120.64 119.24 3dxm n GLU 243 Ca 0.03 -0.79 0.00 0.00 -0.02 0.00 0.00 57.16 56.38 3dxm n GLU 243 Cb 0.54 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 3dxm n GLU 243 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3dxm n THR 244 N -0.18 0.00 -1.04 2.62 -2.24 -1.26 -5.13 114.28 107.04 3dxm n THR 244 Ca 0.15 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.62 3dxm n THR 244 Cb 0.37 -0.21 0.12 0.00 -2.10 0.00 0.00 70.33 68.52 3dxm n THR 244 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dxm s LEU 245 N 0.00 2.94 0.45 3.22 1.43 -1.26 -4.82 118.68 120.63 3dxm s LEU 245 Ca 0.00 1.96 -0.24 0.00 -1.03 0.00 0.00 54.13 54.82 3dxm s LEU 245 Cb 0.00 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.60 3dxm s LEU 245 CO 0.00 -2.46 1.12 -2.65 0.23 0.00 0.00 176.35 172.59 3dxm n PRO 246 N -3.81 1.54 -3.63 1.29 -0.02 -1.26 -4.68 135.00 124.44 3dxm n PRO 246 Ca 0.10 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.76 3dxm n PRO 246 Cb 0.53 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 3dxm n PRO 246 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dxm s LEU 247 N -1.28 4.41 -0.05 2.45 1.43 -1.26 -1.61 118.68 122.76 3dxm s LEU 247 Ca 0.64 0.74 0.15 0.00 -1.03 0.00 0.00 54.13 54.63 3dxm s LEU 247 Cb -0.52 -2.39 -0.23 0.00 0.03 0.00 0.00 46.19 43.08 3dxm s LEU 247 CO 0.56 0.32 0.28 0.18 0.23 0.00 0.00 176.35 177.91 3dxm n LEU 248 N 2.15 0.00 -4.05 1.79 4.77 0.13 -4.49 117.00 117.30 3dxm n LEU 248 Ca -0.16 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.72 3dxm n LEU 248 Cb 0.53 0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.60 3dxm n LEU 248 CO 0.36 0.09 -0.38 0.00 -1.33 0.00 0.00 177.39 176.12 3dxm s ALA 249 N -2.93 0.48 -0.14 -1.18 0.00 -0.70 -3.74 121.76 113.55 3dxm s ALA 249 Ca -0.06 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 3dxm s ALA 249 Cb 0.09 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.38 3dxm s ALA 249 CO 0.65 -0.14 0.58 0.54 0.00 0.00 0.00 175.76 177.39 3dxm s VAL 250 N -2.01 0.01 -0.01 0.00 0.11 -1.26 -2.14 120.40 115.09 3dxm s VAL 250 Ca -0.07 -0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 58.74 3dxm s VAL 250 Cb -0.06 -0.84 0.03 0.00 -1.53 0.00 0.00 36.38 33.98 3dxm s VAL 250 CO -0.02 -0.04 0.36 0.28 -3.33 0.00 0.00 175.10 172.35 3dxm s THR 251 N -0.37 0.05 0.28 5.04 -1.32 -0.81 -4.58 115.64 113.93 3dxm s THR 251 Ca -0.05 -0.42 -0.21 0.00 -1.21 0.00 0.00 61.69 59.80 3dxm s THR 251 Cb -0.03 -0.69 -0.09 0.00 -1.51 0.00 0.00 72.50 70.18 3dxm s THR 251 CO 0.04 -0.23 0.80 -0.36 -2.21 0.00 0.00 174.62 172.66 3dxm s PHE 252 N -1.40 3.58 -0.07 9.09 0.40 -1.26 -1.15 117.98 127.17 3dxm s PHE 252 Ca -0.13 1.48 0.02 0.00 -0.60 0.00 0.00 56.93 57.70 3dxm s PHE 252 Cb -0.04 -2.70 -0.03 0.00 0.51 0.00 0.00 43.02 40.76 3dxm s PHE 252 CO 0.04 0.22 0.08 0.44 0.70 0.00 0.00 175.22 176.71 3dxm n ILE 253 N 0.38 0.00 -3.83 0.64 -5.35 0.02 -4.56 119.36 106.67 3dxm n ILE 253 Ca 0.01 -0.35 -0.07 0.00 -0.27 0.00 0.00 62.75 62.06 3dxm n ILE 253 Cb 0.51 0.86 -0.02 0.00 -1.74 0.00 0.00 39.64 39.25 3dxm n ILE 253 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3dxm s THR 254 N -1.44 0.00 0.62 7.28 -4.23 -0.76 -1.31 115.64 115.80 3dxm s THR 254 Ca 0.00 -0.94 0.34 0.00 -1.18 0.00 0.00 61.69 59.92 3dxm s THR 254 Cb 0.02 -1.93 0.38 0.00 1.34 0.00 0.00 72.50 72.30 3dxm s THR 254 CO 0.09 -0.00 2.23 -0.33 -0.54 0.00 0.00 174.62 176.06 3dxm h GLU 255 N 2.00 0.00 0.00 3.99 4.39 -1.74 -2.87 114.58 120.35 3dxm h GLU 255 Ca -0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3dxm h GLU 255 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 3dxm h GLU 255 CO 0.24 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.52 3dxm n SER 256 N -3.56 1.64 -4.18 1.42 7.64 -1.26 -4.98 113.62 110.33 3dxm n SER 256 Ca -0.02 -1.71 -0.25 0.00 1.01 0.00 0.00 58.87 57.90 3dxm n SER 256 Cb 0.16 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.21 3dxm n SER 256 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3dxm s SER 257 N -0.71 2.17 0.08 6.43 0.01 -1.08 -0.02 113.70 120.57 3dxm s SER 257 Ca 0.00 -0.34 0.07 0.00 1.31 0.00 0.00 55.95 56.99 3dxm s SER 257 Cb 0.00 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.96 3dxm s SER 257 CO 0.00 0.22 -0.18 -0.76 0.41 0.00 0.00 173.24 172.93 3dxm s LEU 258 N -0.45 2.26 -0.10 2.44 1.43 0.63 -0.80 118.68 124.10 3dxm s LEU 258 Ca 0.07 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 3dxm s LEU 258 Cb -0.07 -0.76 0.01 0.00 0.03 0.00 0.00 46.19 45.40 3dxm s LEU 258 CO -0.01 0.03 -0.16 -0.69 0.23 0.00 0.00 176.35 175.76 3dxm s VAL 259 N -1.11 1.48 0.09 -1.59 1.01 -0.30 -0.54 120.40 119.44 3dxm s VAL 259 Ca 0.04 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3dxm s VAL 259 Cb -0.10 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3dxm s VAL 259 CO 0.03 0.43 -0.07 0.00 0.00 0.00 0.00 175.10 175.49 3dxm s ALA 260 N 0.80 0.90 0.20 5.51 0.00 -0.41 -1.93 121.76 126.84 3dxm s ALA 260 Ca -0.11 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 50.52 3dxm s ALA 260 Cb -0.16 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 3dxm s ALA 260 CO 0.01 -0.18 0.39 0.00 0.00 0.00 0.00 175.76 175.99 3dxm s ALA 261 N -3.07 -0.19 0.00 0.00 0.00 -0.91 -0.17 121.76 117.43 3dxm s ALA 261 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3dxm s ALA 261 Cb 0.01 0.97 0.00 0.00 0.00 0.00 0.00 23.12 24.10 3dxm s ALA 261 CO -0.03 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.39 3dxm n GLY 262 N -0.30 0.24 0.12 0.00 0.00 -1.22 -0.69 105.19 103.34 3dxm n GLY 262 Ca -0.05 0.41 0.12 0.00 0.00 0.00 0.00 46.02 46.50 3dxm n GLY 262 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dxm n HIS 263 N 0.00 0.81 0.22 1.61 8.25 -0.64 -0.55 115.22 124.92 3dxm n HIS 263 Ca 0.00 0.29 0.11 0.00 -0.26 0.00 0.00 57.72 57.86 3dxm n HIS 263 Cb 0.00 -0.97 0.37 0.00 1.12 0.00 0.00 29.99 30.51 3dxm n HIS 263 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3dxm h ASP 264 N 0.00 0.00 0.00 0.41 3.32 -1.83 -3.43 116.42 114.89 3dxm h ASP 264 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dxm h ASP 264 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3dxm h ASP 264 CO 0.00 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.70 3dxm s PHE 266 N -2.00 0.11 0.35 0.00 -0.12 -1.26 -4.08 117.98 110.97 3dxm s PHE 266 Ca 0.00 -0.34 -0.25 0.00 -0.05 0.00 0.00 56.93 56.28 3dxm s PHE 266 Cb 0.00 -0.08 -0.10 0.00 -0.63 0.00 0.00 43.02 42.21 3dxm s PHE 266 CO 0.00 -0.37 0.96 -1.25 -0.05 0.00 0.00 175.22 174.51 3dxm s PRO 267 N -2.35 4.48 0.13 1.99 0.04 -1.26 -4.36 135.00 133.67 3dxm s PRO 267 Ca -0.07 1.34 0.05 0.00 0.04 0.00 0.00 61.00 62.36 3dxm s PRO 267 Cb -0.02 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 3dxm s PRO 267 CO -0.03 0.18 -0.12 0.14 0.04 0.00 0.00 177.00 177.21 3dxm s VAL 268 N -1.69 1.26 -0.06 -0.36 -7.23 0.76 -1.49 120.40 111.59 3dxm s VAL 268 Ca 0.53 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 3dxm s VAL 268 Cb -0.18 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 3dxm s VAL 268 CO 0.23 -0.57 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.19 3dxm s LEU 269 N -2.78 3.30 0.02 1.32 2.96 -0.00 -1.29 118.68 122.21 3dxm s LEU 269 Ca 0.12 0.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 3dxm s LEU 269 Cb -0.02 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3dxm s LEU 269 CO 0.02 0.36 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.93 3dxm s PHE 270 N -0.86 1.07 0.06 5.38 0.40 0.30 -1.09 117.98 123.24 3dxm s PHE 270 Ca 0.13 -0.30 0.07 0.00 -0.60 0.00 0.00 56.93 56.24 3dxm s PHE 270 Cb -0.11 -0.65 -0.03 0.00 0.51 0.00 0.00 43.02 42.74 3dxm s PHE 270 CO 0.02 0.00 -0.19 0.95 0.70 0.00 0.00 175.22 176.71 3dxm s THR 271 N -0.66 1.54 -0.19 0.64 -4.23 -0.33 -0.27 115.64 112.15 3dxm s THR 271 Ca 0.02 -1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 59.23 3dxm s THR 271 Cb -0.07 -1.38 -0.01 0.00 1.34 0.00 0.00 72.50 72.39 3dxm s THR 271 CO 0.01 0.06 -0.08 -0.47 -0.54 0.00 0.00 174.62 173.60 3dxm s TYR 272 N -0.94 2.91 -0.56 3.99 5.04 0.97 -0.80 117.35 127.96 3dxm s TYR 272 Ca 0.05 -0.86 -0.17 0.00 -2.44 0.00 0.00 57.07 53.65 3dxm s TYR 272 Cb -0.09 -2.00 0.11 0.00 0.35 0.00 0.00 41.96 40.33 3dxm s TYR 272 CO 0.02 -0.43 0.58 0.34 -1.34 0.00 0.00 175.55 174.72 3dxm s ASP 273 N 1.05 6.19 0.20 4.32 -1.08 0.01 -4.84 116.67 122.52 3dxm s ASP 273 Ca 0.00 -1.59 -0.10 0.00 -0.52 0.00 0.00 52.55 50.34 3dxm s ASP 273 Cb -0.15 -2.25 0.24 0.00 -1.46 0.00 0.00 42.92 39.31 3dxm s ASP 273 CO -0.01 -0.96 1.77 -1.28 0.52 0.00 0.00 175.17 175.22 3dxm h SER 274 N 9.01 0.38 0.07 -0.34 0.87 -1.96 0.66 113.55 122.24 3dxm h SER 274 Ca -0.30 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.34 3dxm h SER 274 Cb 1.09 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.00 3dxm h SER 274 CO 1.06 0.24 -0.27 0.00 -0.53 0.00 0.00 176.83 177.32 3dxm h ALA 275 N 1.37 -0.43 0.00 6.23 0.00 -1.97 -2.41 119.26 122.05 3dxm h ALA 275 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3dxm h ALA 275 Cb 0.27 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3dxm h ALA 275 CO -0.23 -0.80 -0.16 0.00 0.00 0.00 0.00 179.25 178.06 3dxm n ALA 276 N -2.65 2.60 -3.58 0.00 0.00 -1.11 -4.92 120.51 110.85 3dxm n ALA 276 Ca -0.06 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 3dxm n ALA 276 Cb 0.30 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.45 3dxm n ALA 276 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxm n GLY 277 N 1.43 -0.45 3.16 0.00 0.00 0.22 -4.99 105.19 104.57 3dxm n GLY 277 Ca 0.06 0.18 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 3dxm n GLY 277 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dxm s LYS 278 N -5.97 1.36 -0.06 1.61 2.20 -0.87 -4.65 119.74 113.36 3dxm s LYS 278 Ca 0.33 -0.62 -0.11 0.00 -0.36 0.00 0.00 55.97 55.20 3dxm s LYS 278 Cb -0.15 -1.32 -0.05 0.00 -1.51 0.00 0.00 37.83 34.80 3dxm s LYS 278 CO 0.75 0.36 0.28 -0.51 -0.36 0.00 0.00 175.35 175.87 3dxm s LEU 279 N -0.45 4.43 -0.01 5.43 1.43 -1.26 -0.81 118.68 127.44 3dxm s LEU 279 Ca 0.06 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 3dxm s LEU 279 Cb -0.07 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.81 3dxm s LEU 279 CO -0.00 0.36 -0.05 -0.44 0.23 0.00 0.00 176.35 176.44 3dxm s SER 280 N -1.02 0.70 -0.10 2.29 0.01 0.02 -4.87 113.70 110.74 3dxm s SER 280 Ca 0.20 -0.10 -0.30 0.00 1.31 0.00 0.00 55.95 57.06 3dxm s SER 280 Cb -0.14 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 65.94 3dxm s SER 280 CO 0.09 0.05 1.13 0.12 0.41 0.00 0.00 173.24 175.03 3dxm s PHE 281 N 0.05 3.27 -0.28 2.43 5.36 -1.26 -1.18 117.98 126.37 3dxm s PHE 281 Ca -0.00 1.34 0.08 0.00 -0.96 0.00 0.00 56.93 57.39 3dxm s PHE 281 Cb -0.04 -3.34 0.45 0.00 -0.34 0.00 0.00 43.02 39.75 3dxm s PHE 281 CO -0.00 -0.91 1.23 0.41 -1.46 0.00 0.00 175.22 174.49 3dxm n GLY 282 N 3.30 6.05 0.00 13.12 0.00 -0.25 -4.95 105.19 122.45 3dxm n GLY 282 Ca 0.11 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.84 3dxm n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxm n GLY 283 N -0.83 3.09 3.76 -0.02 0.00 -1.25 -4.65 105.19 105.29 3dxm n GLY 283 Ca 0.38 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 3dxm n GLY 283 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dxm s ARG 284 N -4.03 4.64 0.00 1.61 3.52 -1.26 -0.82 118.95 122.61 3dxm s ARG 284 Ca 0.00 1.26 0.14 0.00 -0.13 0.00 0.00 55.73 56.99 3dxm s ARG 284 Cb 0.00 -3.29 -0.00 0.00 -1.56 0.00 0.00 34.95 30.09 3dxm s ARG 284 CO 0.00 0.48 0.76 1.28 -0.81 0.00 0.00 175.30 177.01 3dxm n LEU 285 N 1.88 1.46 -4.11 -0.88 4.77 -0.56 -4.71 117.00 114.84 3dxm n LEU 285 Ca -0.03 -0.77 -0.37 0.00 -0.03 0.00 0.00 56.01 54.81 3dxm n LEU 285 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 3dxm n LEU 285 CO 0.48 0.28 0.44 -0.67 -1.33 0.00 0.00 177.39 176.59 3dxm n ASP 286 N -0.17 4.47 -4.60 -1.43 -0.08 -1.26 -4.98 116.55 108.50 3dxm n ASP 286 Ca 0.06 -3.14 -0.36 0.00 -1.51 0.00 0.00 54.79 49.84 3dxm n ASP 286 Cb 0.29 -1.09 -0.10 0.00 2.34 0.00 0.00 41.12 42.55 3dxm n ASP 286 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3dxm s VAL 287 N -1.47 4.90 0.00 5.18 -7.23 -1.26 -4.88 120.40 115.63 3dxm s VAL 287 Ca 0.29 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 3dxm s VAL 287 Cb -0.06 -3.26 0.00 0.00 0.56 0.00 0.00 36.38 33.62 3dxm s VAL 287 CO -0.11 0.39 0.00 -0.81 -0.31 0.00 0.00 175.10 174.26 3dxm n PRO 288 N 4.14 0.12 -0.97 4.82 -0.04 -1.26 -5.14 135.00 136.66 3dxm n PRO 288 Ca -0.16 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.39 3dxm n PRO 288 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 3dxm n PRO 288 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dxm n ALA 319 N -3.00 -2.68 -2.79 0.55 0.00 -1.26 -5.24 120.51 106.10 3dxm n ALA 319 Ca 0.00 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.73 3dxm n ALA 319 Cb 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.47 3dxm n ALA 319 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxm n GLY 320 N -3.38 1.97 3.47 0.00 0.00 -1.26 -5.10 105.19 100.89 3dxm n GLY 320 Ca -0.03 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 3dxm n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dxm s LEU 321 N -2.94 2.67 -0.04 0.99 1.02 -1.26 -5.02 118.68 114.10 3dxm s LEU 321 Ca 0.30 -0.38 0.10 0.00 0.02 0.00 0.00 54.13 54.17 3dxm s LEU 321 Cb 0.42 -1.55 0.35 0.00 0.02 0.00 0.00 46.19 45.44 3dxm s LEU 321 CO -0.00 0.27 1.23 -0.90 0.02 0.00 0.00 176.35 176.96 3dxm n ASP 322 N 1.62 2.42 -4.75 2.29 5.68 -1.26 -4.90 116.55 117.64 3dxm n ASP 322 Ca -0.16 -2.15 -0.22 0.00 -0.50 0.00 0.00 54.79 51.76 3dxm n ASP 322 Cb 0.52 -0.36 -0.05 0.00 -1.14 0.00 0.00 41.12 40.09 3dxm n ASP 322 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3dxm s SER 323 N -0.81 5.09 0.04 -1.12 1.04 -1.26 -4.55 113.70 112.14 3dxm s SER 323 Ca 0.26 -0.44 -0.24 0.00 0.48 0.00 0.00 55.95 56.00 3dxm s SER 323 Cb 0.15 -1.13 -0.17 0.00 0.10 0.00 0.00 66.02 64.98 3dxm s SER 323 CO 0.14 -0.05 1.53 -0.07 0.98 0.00 0.00 173.24 175.76 3dxm h LEU 324 N 1.63 0.04 -9.84 2.42 4.07 -1.91 -3.42 115.31 108.30 3dxm h LEU 324 Ca -0.46 -0.23 -0.48 0.00 0.08 0.00 0.00 57.88 56.79 3dxm h LEU 324 Cb 1.24 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.96 3dxm h LEU 324 CO 0.61 0.25 0.37 -1.00 -1.08 0.00 0.00 178.44 177.59 3dxm s HIS 325 N -5.29 3.74 -0.64 1.13 3.76 -1.26 -4.96 115.29 111.78 3dxm s HIS 325 Ca -0.14 1.81 0.16 0.00 -0.15 0.00 0.00 55.06 56.73 3dxm s HIS 325 Cb 0.04 -3.01 0.58 0.00 1.11 0.00 0.00 32.58 31.31 3dxm s HIS 325 CO 0.67 0.12 1.50 1.63 -0.85 0.00 0.00 174.74 177.81 3dxm n LYS 326 N 0.90 3.43 -3.67 1.40 4.76 -1.26 -4.90 118.16 118.81 3dxm n LYS 326 Ca 0.00 -2.74 -0.06 0.00 -2.87 0.00 0.00 58.31 52.64 3dxm n LYS 326 Cb 0.48 -1.80 -0.02 0.00 -1.84 0.00 0.00 35.03 31.86 3dxm n LYS 326 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3dxm s ASN 327 N -1.28 -0.28 0.17 4.39 3.84 -1.26 -4.88 114.94 115.64 3dxm s ASN 327 Ca 0.43 -0.28 -0.30 0.00 0.21 0.00 0.00 52.86 52.91 3dxm s ASN 327 Cb 0.30 0.51 -0.17 0.00 -0.55 0.00 0.00 41.25 41.34 3dxm s ASN 327 CO 0.16 -0.90 0.69 -1.20 -2.79 0.00 0.00 177.10 173.07 3dxm n SER 328 N -0.40 -0.65 -4.63 -4.21 7.64 -1.26 -4.45 113.62 105.66 3dxm n SER 328 Ca -0.08 1.14 -0.39 0.00 1.01 0.00 0.00 58.87 60.56 3dxm n SER 328 Cb 0.61 -0.99 -0.09 0.00 -1.01 0.00 0.00 64.21 62.73 3dxm n SER 328 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dxm s VAL 329 N -0.79 5.20 -0.83 0.44 1.01 0.29 -0.22 120.40 125.49 3dxm s VAL 329 Ca 0.68 0.57 0.15 0.00 0.00 0.00 0.00 61.98 63.39 3dxm s VAL 329 Cb -0.96 -3.69 -0.14 0.00 0.00 0.00 0.00 36.38 31.59 3dxm s VAL 329 CO 0.56 0.20 0.67 -1.54 0.00 0.00 0.00 175.10 174.99 3dxm n SER 330 N 5.03 0.85 -3.70 3.32 3.41 -0.80 -3.40 113.62 118.33 3dxm n SER 330 Ca -0.09 -0.93 -0.14 0.00 -0.26 0.00 0.00 58.87 57.46 3dxm n SER 330 Cb 0.51 0.92 -0.09 0.00 -0.26 0.00 0.00 64.21 65.28 3dxm n SER 330 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3dxm s GLN 331 N -2.33 0.60 -0.01 4.33 0.74 -1.12 -4.53 119.66 117.33 3dxm s GLN 331 Ca 0.07 0.63 0.02 0.00 0.05 0.00 0.00 55.36 56.12 3dxm s GLN 331 Cb 0.12 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.52 3dxm s GLN 331 CO 0.58 -0.08 -0.05 -1.50 -0.55 0.00 0.00 175.29 173.69 3dxm s ILE 332 N 0.13 0.47 0.01 -2.34 2.07 -1.26 -1.89 121.20 118.40 3dxm s ILE 332 Ca -0.01 -0.21 -0.02 0.00 -1.41 0.00 0.00 60.65 59.00 3dxm s ILE 332 Cb -0.03 -0.43 -0.01 0.00 0.13 0.00 0.00 42.46 42.11 3dxm s ILE 332 CO 0.01 0.15 0.02 -0.94 -1.91 0.00 0.00 174.94 172.28 3dxm s SER 333 N 0.15 0.16 -0.11 4.50 1.04 -0.20 -4.83 113.70 114.41 3dxm s SER 333 Ca -0.01 -0.38 -0.27 0.00 0.48 0.00 0.00 55.95 55.77 3dxm s SER 333 Cb -0.06 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 3dxm s SER 333 CO -0.00 -0.30 0.89 -0.69 0.98 0.00 0.00 173.24 174.12 3dxm s VAL 334 N -1.34 4.87 -0.15 5.02 1.01 -1.26 0.23 120.40 128.78 3dxm s VAL 334 Ca -0.15 1.81 -0.04 0.00 0.00 0.00 0.00 61.98 63.60 3dxm s VAL 334 Cb -0.09 -4.21 -0.24 0.00 0.00 0.00 0.00 36.38 31.84 3dxm s VAL 334 CO -0.00 0.07 0.22 0.18 0.00 0.00 0.00 175.10 175.57 3dxm n LEU 335 N 4.74 2.67 -3.73 3.92 4.77 0.17 -4.92 117.00 124.63 3dxm n LEU 335 Ca 0.05 0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 56.02 3dxm n LEU 335 Cb 0.49 -1.03 -0.09 0.00 -2.33 0.00 0.00 43.42 40.46 3dxm n LEU 335 CO 0.50 0.87 0.07 -0.94 -1.33 0.00 0.00 177.39 176.56 3dxm s SER 336 N -6.89 -0.32 0.00 -1.43 1.04 -1.04 -4.89 113.70 100.18 3dxm s SER 336 Ca -0.25 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.61 3dxm s SER 336 Cb 0.07 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3dxm s SER 336 CO 0.73 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.23 3dxm n GLY 337 N 1.90 1.05 3.89 7.32 0.00 -1.26 -0.30 105.19 117.79 3dxm n GLY 337 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.90 3dxm n GLY 337 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxm n GLY 338 N -2.00 -1.72 0.01 -0.02 0.00 -1.26 -2.31 105.19 97.89 3dxm n GLY 338 Ca 0.00 -1.24 0.15 0.00 0.00 0.00 0.00 46.02 44.93 3dxm n GLY 338 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxm n LYS 339 N -2.12 0.43 0.08 1.61 5.02 -1.26 -1.81 118.16 120.10 3dxm n LYS 339 Ca 0.00 -0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 3dxm n LYS 339 Cb 0.21 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.57 3dxm n LYS 339 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxm h ALA 340 N 3.42 0.14 -0.82 7.82 0.00 -1.74 -2.03 119.26 126.04 3dxm h ALA 340 Ca 0.00 -1.13 -0.34 0.00 0.00 0.00 0.00 54.91 53.44 3dxm h ALA 340 Cb 0.31 0.45 -0.25 0.00 0.00 0.00 0.00 17.79 18.29 3dxm h ALA 340 CO 0.00 1.01 -0.75 1.17 0.00 0.00 0.00 179.25 180.67 3dxm n LYS 341 N -3.60 0.94 -1.68 0.00 3.00 -0.98 -4.13 118.16 111.71 3dxm n LYS 341 Ca -0.25 -2.48 -0.45 0.00 -0.00 0.00 0.00 58.31 55.14 3dxm n LYS 341 Cb 1.08 -1.32 -0.03 0.00 0.00 0.00 0.00 35.03 34.76 3dxm n LYS 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dxm n SER 343 N 2.54 2.97 -3.80 0.00 3.41 0.59 -4.84 113.62 114.50 3dxm n SER 343 Ca 0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.61 3dxm n SER 343 Cb 0.31 0.89 -0.12 0.00 -0.26 0.00 0.00 64.21 65.03 3dxm n SER 343 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3dxm s GLN 344 N -2.31 0.20 0.11 4.33 -0.21 -1.18 -0.54 119.66 120.07 3dxm s GLN 344 Ca -0.04 0.28 0.02 0.00 0.02 0.00 0.00 55.36 55.64 3dxm s GLN 344 Cb 0.03 0.07 -0.04 0.00 1.00 0.00 0.00 33.01 34.07 3dxm s GLN 344 CO 0.35 -0.04 -0.05 -0.59 -2.12 0.00 0.00 175.29 172.83 3dxm s PHE 345 N 0.25 0.96 0.08 0.91 -0.12 -0.60 -0.65 117.98 118.79 3dxm s PHE 345 Ca -0.01 -0.94 0.10 0.00 -0.05 0.00 0.00 56.93 56.02 3dxm s PHE 345 Cb -0.03 -0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 41.78 3dxm s PHE 345 CO -0.01 -0.17 -0.26 0.00 -0.05 0.00 0.00 175.22 174.73 3dxm s THR 347 N -0.91 0.56 0.06 0.00 -4.23 -0.37 -1.03 115.64 109.72 3dxm s THR 347 Ca 0.12 -0.25 0.06 0.00 -1.18 0.00 0.00 61.69 60.44 3dxm s THR 347 Cb -0.10 -0.51 -0.03 0.00 1.34 0.00 0.00 72.50 73.20 3dxm s THR 347 CO 0.03 0.18 -0.17 0.42 -0.54 0.00 0.00 174.62 174.54 3dxm s THR 348 N 0.18 1.38 0.24 3.99 -4.23 -0.79 0.06 115.64 116.47 3dxm s THR 348 Ca -0.02 -1.24 0.05 0.00 -1.18 0.00 0.00 61.69 59.29 3dxm s THR 348 Cb -0.07 -1.25 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 3dxm s THR 348 CO -0.00 -0.02 0.22 0.61 -0.54 0.00 0.00 174.62 174.89 3dxm n GLY 349 N 1.55 3.12 0.00 3.99 0.00 -1.01 -1.91 105.19 110.92 3dxm n GLY 349 Ca -0.19 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.13 3dxm n GLY 349 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dxm n MET 350 N -0.46 0.53 0.00 1.61 2.81 0.69 -2.13 117.12 120.17 3dxm n MET 350 Ca 0.05 0.03 0.13 0.00 -1.81 0.00 0.00 57.70 56.10 3dxm n MET 350 Cb 0.44 -1.50 0.40 0.00 -0.71 0.00 0.00 33.22 31.85 3dxm n MET 350 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3dxm n ASP 351 N -1.08 1.43 0.00 7.83 5.75 -1.26 -3.00 116.55 126.23 3dxm n ASP 351 Ca 0.13 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.64 3dxm n ASP 351 Cb 0.09 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3dxm n ASP 351 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dxm n GLY 352 N 1.28 0.54 3.87 6.12 0.00 -0.91 -4.42 105.19 111.66 3dxm n GLY 352 Ca 0.15 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3dxm n GLY 352 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dxm s GLY 353 N -2.01 1.50 -0.07 -0.02 0.00 -1.26 -1.42 107.32 104.04 3dxm s GLY 353 Ca 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.48 3dxm s GLY 353 CO 0.00 -1.27 -0.08 -0.29 0.00 0.00 0.00 173.10 171.45 3dxm s MET 354 N -3.56 1.34 0.05 2.90 1.75 0.64 -2.40 119.30 120.02 3dxm s MET 354 Ca 0.33 -0.25 0.07 0.00 -1.25 0.00 0.00 55.69 54.59 3dxm s MET 354 Cb -0.09 -1.27 -0.03 0.00 2.84 0.00 0.00 34.83 36.28 3dxm s MET 354 CO 0.26 -0.10 -0.18 -1.12 -0.65 0.00 0.00 175.02 173.23 3dxm s SER 355 N 1.09 3.84 -0.17 1.11 0.01 0.11 -1.49 113.70 118.19 3dxm s SER 355 Ca -0.07 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.77 3dxm s SER 355 Cb -0.14 -0.62 0.02 0.00 0.21 0.00 0.00 66.02 65.48 3dxm s SER 355 CO -0.01 0.25 -0.20 -0.63 0.41 0.00 0.00 173.24 173.06 3dxm s ILE 356 N -0.95 2.03 -0.08 1.44 1.01 -0.72 -1.24 121.20 122.69 3dxm s ILE 356 Ca 0.15 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.87 3dxm s ILE 356 Cb -0.11 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 3dxm s ILE 356 CO 0.06 0.54 -0.06 0.26 0.00 0.00 0.00 174.94 175.73 3dxm s TRP 357 N 1.24 2.96 -0.29 3.97 0.52 0.21 -2.85 118.94 124.69 3dxm s TRP 357 Ca 0.03 -0.02 -0.06 0.00 0.02 0.00 0.00 56.10 56.07 3dxm s TRP 357 Cb -0.13 -1.75 0.01 0.00 -1.15 0.00 0.00 33.47 30.45 3dxm s TRP 357 CO -0.11 0.29 0.07 0.34 0.02 0.00 0.00 176.95 177.55 3dxm s ASP 358 N -0.66 5.07 0.31 2.95 -1.08 -1.26 -1.56 116.67 120.43 3dxm s ASP 358 Ca 0.10 -0.74 0.01 0.00 -0.52 0.00 0.00 52.55 51.40 3dxm s ASP 358 Cb -0.11 -1.86 0.56 0.00 -1.46 0.00 0.00 42.92 40.04 3dxm s ASP 358 CO 0.02 -0.19 1.90 0.58 0.52 0.00 0.00 175.17 178.00 3dxm h VAL 359 N 5.90 1.04 -0.33 1.11 2.07 -1.14 -1.69 116.25 123.20 3dxm h VAL 359 Ca -0.31 -0.34 -0.17 0.00 0.82 0.00 0.00 66.70 66.70 3dxm h VAL 359 Cb 1.12 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3dxm h VAL 359 CO 0.60 0.18 -0.45 0.08 0.02 0.00 0.00 177.57 178.00 3dxm h ARG 360 N 0.99 0.87 -0.67 1.57 0.11 -1.93 -1.93 114.38 113.40 3dxm h ARG 360 Ca 0.40 -0.49 -0.01 0.00 0.10 0.00 0.00 59.98 59.98 3dxm h ARG 360 Cb 0.26 0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.34 3dxm h ARG 360 CO -0.16 1.13 0.39 0.77 0.10 0.00 0.00 179.97 182.21 3dxm h SER 361 N 0.69 0.81 -0.79 0.08 0.02 -1.82 -1.31 113.55 111.23 3dxm h SER 361 Ca 0.04 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3dxm h SER 361 Cb 1.04 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.34 3dxm h SER 361 CO 0.10 0.64 0.43 -0.07 -1.14 0.00 0.00 176.83 176.80 3dxm h LEU 362 N 0.91 0.99 -1.23 5.07 3.38 -1.17 -1.13 115.31 122.13 3dxm h LEU 362 Ca 0.24 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3dxm h LEU 362 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3dxm h LEU 362 CO -0.04 0.80 -0.19 -0.33 0.09 0.00 0.00 178.44 178.77 3dxm h GLU 363 N 1.10 0.30 -0.08 1.13 5.08 -0.84 -1.77 114.58 119.49 3dxm h GLU 363 Ca 0.28 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3dxm h GLU 363 Cb 0.03 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3dxm h GLU 363 CO -0.04 0.48 -0.13 0.77 -1.00 0.00 0.00 179.01 179.09 3dxm h SER 364 N 0.27 0.25 0.95 1.42 0.02 -0.52 -3.20 113.55 112.74 3dxm h SER 364 Ca 0.05 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3dxm h SER 364 Cb 0.49 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3dxm h SER 364 CO 0.03 0.74 0.00 0.00 -1.14 0.00 0.00 176.83 176.46 3dxm h ALA 365 N 0.52 1.00 -3.02 3.77 0.00 -1.11 -3.36 119.26 117.06 3dxm h ALA 365 Ca 0.01 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.30 3dxm h ALA 365 Cb 0.69 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.07 3dxm h ALA 365 CO 0.03 0.00 -0.71 -0.51 0.00 0.00 0.00 179.25 178.06 3dxm s LEU 366 N -5.24 3.30 0.65 0.00 1.02 -0.68 -4.96 118.68 112.77 3dxm s LEU 366 Ca 0.03 -3.00 0.33 0.00 0.02 0.00 0.00 54.13 51.51 3dxm s LEU 366 Cb 0.09 -1.21 1.81 0.00 0.02 0.00 0.00 46.19 46.90 3dxm s LEU 366 CO 0.48 -0.21 2.05 0.07 0.02 0.00 0.00 176.35 178.76 3dxm h LYS 367 N 6.29 0.00 -0.01 1.70 -0.00 -1.73 0.17 116.57 122.99 3dxm h LYS 367 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.69 3dxm h LYS 367 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.11 3dxm h LYS 367 CO 0.56 0.00 -0.10 -0.40 -0.00 0.00 0.00 179.45 179.51 3dxm n ASP 368 N -3.16 1.36 -4.74 7.07 5.68 -1.26 -4.94 116.55 116.56 3dxm n ASP 368 Ca -0.01 -1.28 -0.41 0.00 -0.50 0.00 0.00 54.79 52.58 3dxm n ASP 368 Cb 0.32 0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.33 3dxm n ASP 368 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3dxm s LEU 369 N -2.19 4.38 0.00 -2.12 2.96 0.61 -5.00 118.68 117.31 3dxm s LEU 369 Ca 0.32 2.72 0.00 0.00 -0.22 0.00 0.00 54.13 56.96 3dxm s LEU 369 Cb 0.20 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.27 3dxm s LEU 369 CO 0.40 -0.75 0.00 0.29 -1.32 0.00 0.00 176.35 174.97 3dxm n LYS 370 N 2.36 0.00 -1.48 1.98 4.01 -1.26 -5.05 118.16 118.72 3dxm n LYS 370 Ca 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 3dxm n LYS 370 Cb 0.40 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.92 3dxm n LYS 370 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 3dxm n ILE 371 N 0.00 -2.33 -0.80 -0.18 5.41 -1.26 -5.13 119.36 115.06 3dxm n ILE 371 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3dxm n ILE 371 Cb 0.00 -3.78 0.00 0.00 -0.71 0.00 0.00 39.64 35.15 3dxm n ILE 371 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07