#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hea n TRP 5 N 0.00 0.65 -1.69 4.41 4.27 -1.26 -4.89 117.44 118.93 1hea n TRP 5 Ca 0.00 0.45 0.00 0.00 -3.89 0.00 0.00 57.50 54.06 1hea n TRP 5 Cb 0.00 -2.12 0.00 0.00 -1.36 0.00 0.00 31.31 27.83 1hea n TRP 5 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1hea n GLY 6 N 1.34 2.77 0.09 -1.67 0.00 -0.52 -5.04 105.19 102.16 1hea n GLY 6 Ca 0.13 -0.58 0.07 0.00 0.00 0.00 0.00 46.02 45.64 1hea n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hea n TYR 7 N 0.00 0.00 -2.39 1.61 4.02 -1.26 -3.84 117.16 115.30 1hea n TYR 7 Ca 0.00 -0.81 -0.22 0.00 -0.01 0.00 0.00 57.90 56.86 1hea n TYR 7 Cb 0.00 -0.12 0.13 0.00 -0.02 0.00 0.00 39.34 39.33 1hea n TYR 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1hea n GLY 8 N -1.12 0.12 0.24 2.72 0.00 -1.26 -4.64 105.19 101.26 1hea n GLY 8 Ca 0.11 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.25 1hea n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1hea h LYS 9 N 0.00 0.07 -0.00 1.61 1.63 -1.98 0.77 116.57 118.67 1hea h LYS 9 Ca -0.32 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 1hea h LYS 9 Cb 1.10 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1hea h LYS 9 CO 0.31 0.16 -0.73 0.72 -3.45 0.00 0.00 179.45 176.46 1hea n HIS 10 N -4.40 0.00 -1.17 1.91 8.25 -1.26 -4.56 115.22 113.99 1hea n HIS 10 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1hea n HIS 10 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1hea n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1hea n ASN 11 N -1.00 0.00 -3.65 0.41 6.94 -1.13 -4.98 115.26 111.84 1hea n ASN 11 Ca 0.05 -1.11 -0.30 0.00 -0.02 0.00 0.00 54.58 53.20 1hea n ASN 11 Cb 0.33 -0.02 0.26 0.00 -2.36 0.00 0.00 39.78 37.99 1hea n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1hea s GLY 12 N -0.11 1.53 0.41 4.83 0.00 0.27 -1.44 107.32 112.81 1hea s GLY 12 Ca 0.00 -0.92 0.25 0.00 0.00 0.00 0.00 44.72 44.05 1hea s GLY 12 CO 0.00 0.02 1.66 -2.55 0.00 0.00 0.00 173.10 172.23 1hea h PRO 13 N -2.90 0.18 0.00 2.90 0.11 -1.83 0.64 132.00 131.09 1hea h PRO 13 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1hea h PRO 13 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1hea h PRO 13 CO 0.31 0.12 0.00 -0.85 -0.21 0.00 0.00 178.00 177.37 1hea n GLU 14 N -4.75 0.07 -0.00 1.05 0.00 -1.26 -2.64 120.64 113.11 1hea n GLU 14 Ca 0.34 0.45 0.06 0.00 0.00 0.00 0.00 57.16 58.00 1hea n GLU 14 Cb 1.23 -1.68 -0.09 0.00 0.00 0.00 0.00 31.44 30.90 1hea n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1hea n HIS 15 N -1.82 0.00 -0.28 -1.84 8.25 0.21 -4.70 115.22 115.04 1hea n HIS 15 Ca 0.01 0.00 0.23 0.00 -0.26 0.00 0.00 57.72 57.70 1hea n HIS 15 Cb 0.10 -0.20 0.56 0.00 1.12 0.00 0.00 29.99 31.57 1hea n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1hea h TRP 16 N 0.00 0.47 0.00 4.41 6.55 -1.52 -2.10 115.95 123.76 1hea h TRP 16 Ca 0.00 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 1hea h TRP 16 Cb 0.48 -0.14 -0.00 0.00 -0.86 0.00 0.00 29.16 28.64 1hea h TRP 16 CO 0.00 0.08 -0.04 1.12 -1.05 0.00 0.00 178.44 178.55 1hea h HIS 17 N 0.31 0.00 -0.10 0.49 2.07 -1.80 0.11 115.15 116.23 1hea h HIS 17 Ca 0.52 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.93 1hea h HIS 17 Cb 1.48 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.45 1hea h HIS 17 CO -0.00 0.04 -0.45 0.87 -3.07 0.00 0.00 177.93 175.32 1hea h LYS 18 N 0.00 0.22 0.00 5.12 1.57 -1.74 -2.87 116.57 118.88 1hea h LYS 18 Ca -0.00 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 1hea h LYS 18 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1hea h LYS 18 CO 0.00 0.63 -2.05 -0.25 -0.57 0.00 0.00 179.45 177.22 1hea n ASP 19 N -4.00 0.31 -3.65 0.86 8.00 -0.84 -4.75 116.55 112.49 1hea n ASP 19 Ca -0.02 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.19 1hea n ASP 19 Cb 0.50 1.64 -0.13 0.00 -0.02 0.00 0.00 41.12 43.12 1hea n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1hea s PHE 20 N -3.13 1.69 0.61 1.24 0.08 0.32 -4.99 117.98 113.79 1hea s PHE 20 Ca -0.08 -2.25 0.31 0.00 0.12 0.00 0.00 56.93 55.03 1hea s PHE 20 Cb 0.11 -1.65 1.80 0.00 -0.57 0.00 0.00 43.02 42.71 1hea s PHE 20 CO 0.83 -0.79 2.15 -1.35 -0.10 0.00 0.00 175.22 175.96 1hea h PRO 21 N 6.75 0.00 0.00 0.24 0.11 -1.75 -1.30 132.00 136.05 1hea h PRO 21 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1hea h PRO 21 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1hea h PRO 21 CO 0.43 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.73 1hea n ILE 22 N -3.61 1.30 0.14 4.15 3.06 -1.26 -2.13 119.36 121.02 1hea n ILE 22 Ca -0.00 0.41 0.19 0.00 -2.50 0.00 0.00 62.75 60.84 1hea n ILE 22 Cb 0.25 -1.31 0.78 0.00 0.54 0.00 0.00 39.64 39.90 1hea n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1hea h ALA 23 N 2.22 1.96 -0.36 1.51 0.00 -1.56 0.27 119.26 123.30 1hea h ALA 23 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1hea h ALA 23 Cb 0.15 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.82 1hea h ALA 23 CO 0.00 -0.52 -0.24 0.36 0.00 0.00 0.00 179.25 178.85 1hea n LYS 24 N -3.68 2.06 -0.35 0.00 2.85 -0.91 -4.95 118.16 113.18 1hea n LYS 24 Ca 0.05 -3.37 -0.07 0.00 -1.05 0.00 0.00 58.31 53.87 1hea n LYS 24 Cb 0.51 -1.86 0.05 0.00 -0.65 0.00 0.00 35.03 33.08 1hea n LYS 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1hea n GLY 25 N -1.06 -1.85 0.06 2.58 0.00 0.95 -5.01 105.19 100.86 1hea n GLY 25 Ca 0.33 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.90 1hea n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hea n GLU 26 N -1.96 0.19 -2.68 1.61 -0.58 -1.26 -4.41 120.64 111.55 1hea n GLU 26 Ca 0.04 0.10 -0.09 0.00 -0.42 0.00 0.00 57.16 56.79 1hea n GLU 26 Cb 0.14 -1.67 0.03 0.00 -0.57 0.00 0.00 31.44 29.37 1hea n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1hea n ARG 27 N -1.97 1.13 -2.58 3.49 1.85 -1.26 -4.85 116.66 112.47 1hea n ARG 27 Ca 0.05 -3.20 -0.32 0.00 -1.00 0.00 0.00 57.85 53.38 1hea n ARG 27 Cb 0.40 -1.22 -0.04 0.00 -1.05 0.00 0.00 32.46 30.56 1hea n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1hea s GLN 28 N -2.97 3.94 0.04 2.89 -1.52 -1.26 -2.38 119.66 118.39 1hea s GLN 28 Ca 0.27 0.85 0.04 0.00 -1.95 0.00 0.00 55.36 54.57 1hea s GLN 28 Cb 0.45 -2.21 -0.02 0.00 -0.22 0.00 0.00 33.01 31.01 1hea s GLN 28 CO 0.03 -0.17 -0.11 -1.12 -0.25 0.00 0.00 175.29 173.66 1hea s SER 29 N -2.97 1.32 0.63 5.90 0.01 -1.26 -4.67 113.70 112.66 1hea s SER 29 Ca 0.57 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 57.38 1hea s SER 29 Cb -0.10 -0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.13 1hea s SER 29 CO 0.29 -0.03 0.89 -2.16 0.41 0.00 0.00 173.24 172.64 1hea s PRO 30 N -1.15 2.25 0.14 12.44 0.04 -1.26 -4.59 135.00 142.88 1hea s PRO 30 Ca -0.01 -0.71 -0.00 0.00 0.04 0.00 0.00 61.00 60.31 1hea s PRO 30 Cb -0.08 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 1hea s PRO 30 CO 0.01 -1.02 0.04 0.14 0.04 0.00 0.00 177.00 176.21 1hea s VAL 31 N -2.98 0.25 -0.08 -0.36 -7.23 -1.26 -0.25 120.40 108.49 1hea s VAL 31 Ca 0.60 -1.93 -0.21 0.00 -1.81 0.00 0.00 61.98 58.64 1hea s VAL 31 Cb -0.09 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1hea s VAL 31 CO 0.41 -0.47 0.58 -0.62 -0.31 0.00 0.00 175.10 174.69 1hea s ASP 32 N -3.08 6.84 -0.44 4.85 2.15 -1.26 -2.86 116.67 122.88 1hea s ASP 32 Ca 0.24 1.01 -0.20 0.00 0.43 0.00 0.00 52.55 54.03 1hea s ASP 32 Cb 0.07 -2.35 0.02 0.00 -0.30 0.00 0.00 42.92 40.37 1hea s ASP 32 CO 0.02 -0.03 0.58 -0.63 -0.17 0.00 0.00 175.17 174.94 1hea s ILE 33 N 0.59 4.91 -0.45 4.11 1.01 0.11 -4.94 121.20 126.54 1hea s ILE 33 Ca 0.31 -0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.68 1hea s ILE 33 Cb -0.17 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.17 1hea s ILE 33 CO 0.14 -0.56 0.75 -0.62 0.00 0.00 0.00 174.94 174.66 1hea s ASP 34 N 1.98 6.39 0.53 3.58 -1.08 -1.26 0.01 116.67 126.82 1hea s ASP 34 Ca 0.19 -0.16 0.30 0.00 -0.52 0.00 0.00 52.55 52.35 1hea s ASP 34 Cb -0.15 -2.37 1.46 0.00 -1.46 0.00 0.00 42.92 40.40 1hea s ASP 34 CO 0.17 -0.88 2.05 0.71 0.52 0.00 0.00 175.17 177.74 1hea h THR 35 N 5.95 0.43 0.00 1.71 1.35 -1.95 -2.38 112.91 118.02 1hea h THR 35 Ca -0.25 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1hea h THR 35 Cb 1.09 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1hea h THR 35 CO 0.94 0.10 -0.95 1.41 -0.25 0.00 0.00 175.52 176.77 1hea n HIS 36 N -3.47 0.68 0.50 4.73 8.25 -1.26 -4.08 115.22 120.57 1hea n HIS 36 Ca -0.01 0.20 0.11 0.00 -0.26 0.00 0.00 57.72 57.75 1hea n HIS 36 Cb 0.26 -0.76 -0.13 0.00 1.12 0.00 0.00 29.99 30.49 1hea n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1hea n THR 37 N -2.37 0.02 -2.06 1.59 -1.04 -1.04 -4.94 114.28 104.45 1hea n THR 37 Ca 0.01 -0.25 -0.39 0.00 -2.04 0.00 0.00 64.05 61.38 1hea n THR 37 Cb 0.50 0.47 -0.00 0.00 -1.82 0.00 0.00 70.33 69.48 1hea n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hea s ALA 38 N -3.25 3.18 -0.41 2.41 0.00 -0.92 -4.85 121.76 117.91 1hea s ALA 38 Ca 0.00 1.20 -0.18 0.00 0.00 0.00 0.00 51.96 52.98 1hea s ALA 38 Cb 0.15 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1hea s ALA 38 CO 0.88 -0.84 0.48 0.21 0.00 0.00 0.00 175.76 176.48 1hea s LYS 39 N -2.35 3.23 -0.06 0.00 2.36 -0.15 -4.85 119.74 117.92 1hea s LYS 39 Ca 0.59 -0.59 -0.30 0.00 -2.55 0.00 0.00 55.97 53.12 1hea s LYS 39 Cb -0.37 -3.93 -0.05 0.00 -1.05 0.00 0.00 37.83 32.43 1hea s LYS 39 CO 0.47 -0.83 1.63 -0.47 1.55 0.00 0.00 175.35 177.70 1hea s TYR 40 N 2.28 2.03 -0.28 4.03 5.04 -1.26 -0.17 117.35 129.01 1hea s TYR 40 Ca 0.15 0.24 0.02 0.00 -2.44 0.00 0.00 57.07 55.03 1hea s TYR 40 Cb -0.16 -3.89 0.06 0.00 0.35 0.00 0.00 41.96 38.32 1hea s TYR 40 CO 0.14 -3.72 -0.05 0.34 -1.34 0.00 0.00 175.55 170.92 1hea s ASP 41 N 3.26 4.64 0.36 4.32 2.15 -0.71 -4.89 116.67 125.79 1hea s ASP 41 Ca 0.72 -1.45 0.26 0.00 0.43 0.00 0.00 52.55 52.51 1hea s ASP 41 Cb -0.33 -1.61 1.26 0.00 -0.30 0.00 0.00 42.92 41.94 1hea s ASP 41 CO 0.29 -0.24 1.79 1.55 -0.17 0.00 0.00 175.17 178.39 1hea h PRO 42 N 7.83 0.00 -0.07 4.34 0.14 -1.93 -2.40 132.00 139.91 1hea h PRO 42 Ca -0.18 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.96 1hea h PRO 42 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.18 1hea h PRO 42 CO 0.49 0.00 0.00 -1.13 0.14 0.00 0.00 178.00 177.50 1hea n SER 43 N -2.43 1.28 -4.67 1.44 3.41 -1.26 -4.86 113.62 106.53 1hea n SER 43 Ca -0.00 -1.53 -0.43 0.00 -0.26 0.00 0.00 58.87 56.65 1hea n SER 43 Cb 0.14 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1hea n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1hea s LEU 44 N -1.79 4.18 0.59 1.04 1.02 -0.91 -5.02 118.68 117.80 1hea s LEU 44 Ca 0.36 1.56 -0.14 0.00 0.02 0.00 0.00 54.13 55.93 1hea s LEU 44 Cb 0.19 -3.55 -0.05 0.00 0.02 0.00 0.00 46.19 42.81 1hea s LEU 44 CO 0.30 -0.62 1.02 -0.54 0.02 0.00 0.00 176.35 176.53 1hea s LYS 45 N 2.82 3.58 0.40 1.70 1.02 -1.25 -4.98 119.74 123.03 1hea s LYS 45 Ca 0.49 0.91 -0.25 0.00 0.02 0.00 0.00 55.97 57.15 1hea s LYS 45 Cb -0.19 -2.08 -0.08 0.00 -0.52 0.00 0.00 37.83 34.96 1hea s LYS 45 CO 0.13 -0.58 1.13 -2.14 -0.92 0.00 0.00 175.35 172.98 1hea s PRO 46 N -4.63 4.06 0.35 -1.68 0.02 -1.26 -2.86 135.00 129.00 1hea s PRO 46 Ca 0.58 1.74 -0.27 0.00 0.02 0.00 0.00 61.00 63.07 1hea s PRO 46 Cb -0.12 -2.62 -0.09 0.00 0.02 0.00 0.00 34.50 31.69 1hea s PRO 46 CO 0.44 -0.28 1.16 -0.51 -0.33 0.00 0.00 177.00 177.47 1hea s LEU 47 N -2.57 4.35 -0.30 -5.54 1.43 -1.26 -2.27 118.68 112.53 1hea s LEU 47 Ca 0.58 2.35 -0.03 0.00 -1.03 0.00 0.00 54.13 56.00 1hea s LEU 47 Cb -0.28 -3.83 0.04 0.00 0.03 0.00 0.00 46.19 42.15 1hea s LEU 47 CO 0.35 -0.45 0.02 -0.55 0.23 0.00 0.00 176.35 175.95 1hea s SER 48 N -0.97 4.90 -0.37 2.29 0.15 0.13 -4.86 113.70 114.97 1hea s SER 48 Ca 0.51 -1.13 -0.05 0.00 0.70 0.00 0.00 55.95 55.99 1hea s SER 48 Cb -0.32 -1.75 0.08 0.00 -1.71 0.00 0.00 66.02 62.32 1hea s SER 48 CO 0.41 -0.25 0.15 -0.69 1.20 0.00 0.00 173.24 174.06 1hea s VAL 49 N 1.32 3.51 -0.84 4.45 1.01 -1.26 -1.38 120.40 127.20 1hea s VAL 49 Ca -0.03 -1.57 -0.08 0.00 0.00 0.00 0.00 61.98 60.30 1hea s VAL 49 Cb -0.19 -3.17 0.22 0.00 0.00 0.00 0.00 36.38 33.23 1hea s VAL 49 CO -0.01 -0.41 0.75 -0.44 0.00 0.00 0.00 175.10 174.99 1hea s SER 50 N 1.67 6.32 -0.03 3.32 0.01 0.57 -4.86 113.70 120.71 1hea s SER 50 Ca 0.02 -3.09 0.09 0.00 1.31 0.00 0.00 55.95 54.27 1hea s SER 50 Cb -0.21 -2.06 0.23 0.00 0.21 0.00 0.00 66.02 64.19 1hea s SER 50 CO -0.01 -0.39 1.19 -1.22 0.41 0.00 0.00 173.24 173.21 1hea n TYR 51 N 3.31 0.34 0.12 2.43 4.01 -1.26 -1.23 117.16 124.88 1hea n TYR 51 Ca 0.16 -0.58 0.17 0.00 -0.16 0.00 0.00 57.90 57.49 1hea n TYR 51 Cb 0.41 -0.08 0.73 0.00 -0.31 0.00 0.00 39.34 40.10 1hea n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1hea h ASP 52 N 1.21 0.00 -0.48 7.72 2.03 -1.89 -2.75 116.42 122.26 1hea h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1hea h ASP 52 Cb 0.76 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 1hea h ASP 52 CO 0.03 0.00 0.00 1.67 -1.03 0.00 0.00 179.24 179.91 1hea n GLN 53 N -4.17 3.19 -1.70 4.15 -0.06 -1.24 -5.02 117.38 112.54 1hea n GLN 53 Ca 0.04 -2.58 -0.44 0.00 -2.00 0.00 0.00 57.00 52.03 1hea n GLN 53 Cb 0.42 -1.64 -0.02 0.00 -4.06 0.00 0.00 30.24 24.94 1hea n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1hea n ALA 54 N 0.65 1.50 -3.90 1.69 0.00 -1.04 -4.59 120.51 114.82 1hea n ALA 54 Ca 0.20 0.39 -0.30 0.00 0.00 0.00 0.00 53.44 53.73 1hea n ALA 54 Cb 0.71 -2.32 -0.15 0.00 0.00 0.00 0.00 19.45 17.69 1hea n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hea s THR 55 N -0.28 1.65 0.42 0.00 2.01 -1.26 -4.92 115.64 113.27 1hea s THR 55 Ca 0.64 -1.81 -0.18 0.00 0.31 0.00 0.00 61.69 60.66 1hea s THR 55 Cb -0.59 -2.17 -0.09 0.00 0.01 0.00 0.00 72.50 69.66 1hea s THR 55 CO 0.52 -0.53 0.90 -0.94 -0.69 0.00 0.00 174.62 173.87 1hea s SER 56 N 1.24 6.79 0.00 3.53 1.04 -1.26 -1.59 113.70 123.46 1hea s SER 56 Ca 0.07 1.53 0.00 0.00 0.48 0.00 0.00 55.95 58.03 1hea s SER 56 Cb -0.18 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1hea s SER 56 CO -0.14 -0.38 0.00 0.18 0.98 0.00 0.00 173.24 173.88 1hea n LEU 57 N -0.86 1.16 -3.84 2.42 4.77 -0.16 -4.16 117.00 116.34 1hea n LEU 57 Ca 0.06 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 1hea n LEU 57 Cb 0.54 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1hea n LEU 57 CO 0.41 0.18 0.49 0.00 -1.33 0.00 0.00 177.39 177.14 1hea s ARG 58 N -1.98 1.99 -0.01 3.23 1.70 -1.23 -0.66 118.95 121.99 1hea s ARG 58 Ca 0.00 -1.19 0.02 0.00 -0.47 0.00 0.00 55.73 54.09 1hea s ARG 58 Cb 0.00 0.62 -0.00 0.00 -0.57 0.00 0.00 34.95 34.99 1hea s ARG 58 CO 0.00 -0.92 -0.07 -1.50 -1.08 0.00 0.00 175.30 171.74 1hea s ILE 59 N -3.21 0.53 -0.01 4.99 2.07 0.24 -1.43 121.20 124.38 1hea s ILE 59 Ca 0.13 -0.28 -0.03 0.00 -1.41 0.00 0.00 60.65 59.06 1hea s ILE 59 Cb -0.06 -0.45 0.00 0.00 0.13 0.00 0.00 42.46 42.08 1hea s ILE 59 CO 0.09 0.15 0.07 -1.48 -1.91 0.00 0.00 174.94 171.86 1hea s LEU 60 N -0.11 1.77 -0.42 8.50 2.34 0.02 -0.70 118.68 130.08 1hea s LEU 60 Ca 0.02 -0.07 -0.19 0.00 0.06 0.00 0.00 54.13 53.96 1hea s LEU 60 Cb -0.03 0.34 0.02 0.00 -0.56 0.00 0.00 46.19 45.96 1hea s LEU 60 CO -0.00 -0.17 0.52 0.21 -1.06 0.00 0.00 176.35 175.85 1hea s ASN 61 N -0.62 6.26 0.00 1.48 3.84 -0.16 -0.88 114.94 124.85 1hea s ASN 61 Ca -0.07 -0.46 0.23 0.00 0.21 0.00 0.00 52.86 52.77 1hea s ASN 61 Cb -0.04 -2.26 0.53 0.00 -0.55 0.00 0.00 41.25 38.92 1hea s ASN 61 CO 0.00 -0.63 1.45 -0.46 -2.79 0.00 0.00 177.10 174.67 1hea n ASN 62 N 5.85 2.68 0.00 -4.21 0.23 -0.91 0.63 115.26 119.53 1hea n ASN 62 Ca -0.05 -1.87 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 1hea n ASN 62 Cb 0.48 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 1hea n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hea n GLY 63 N 1.34 0.65 0.00 4.83 0.00 -1.26 -4.77 105.19 105.97 1hea n GLY 63 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1hea n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1hea n HIS 64 N -2.00 0.00 -3.75 1.61 1.44 -1.26 -4.68 115.22 106.58 1hea n HIS 64 Ca 0.00 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1hea n HIS 64 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 1hea n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1hea n ALA 65 N -0.67 -1.18 -3.12 1.59 0.00 -1.26 -4.85 120.51 111.02 1hea n ALA 65 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.78 1hea n ALA 65 Cb 0.00 0.14 -0.17 0.00 0.00 0.00 0.00 19.45 19.42 1hea n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1hea s PHE 66 N -3.67 2.37 -0.10 0.00 -0.12 -1.26 -2.13 117.98 113.07 1hea s PHE 66 Ca 0.10 -0.89 0.00 0.00 -0.05 0.00 0.00 56.93 56.09 1hea s PHE 66 Cb -0.01 -1.58 -0.02 0.00 -0.63 0.00 0.00 43.02 40.78 1hea s PHE 66 CO 0.01 -0.35 -0.10 -0.80 -0.05 0.00 0.00 175.22 173.93 1hea s ASN 67 N 0.25 4.29 -0.27 1.98 0.02 -0.06 -4.32 114.94 116.83 1hea s ASN 67 Ca -0.14 -0.19 -0.10 0.00 -1.02 0.00 0.00 52.86 51.41 1hea s ASN 67 Cb -0.16 -1.35 -0.04 0.00 0.02 0.00 0.00 41.25 39.71 1hea s ASN 67 CO 0.07 0.25 0.15 -0.69 0.02 0.00 0.00 177.10 176.91 1hea s VAL 68 N -0.17 5.03 0.02 1.60 1.01 -0.63 -0.80 120.40 126.46 1hea s VAL 68 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1hea s VAL 68 Cb -0.13 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1hea s VAL 68 CO 0.03 0.28 0.17 -1.61 0.00 0.00 0.00 175.10 173.97 1hea s GLU 69 N 1.69 3.36 0.14 2.72 2.02 -0.51 -1.90 118.70 126.22 1hea s GLU 69 Ca 0.07 -0.41 0.07 0.00 0.02 0.00 0.00 54.97 54.72 1hea s GLU 69 Cb -0.16 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 1hea s GLU 69 CO 0.09 0.64 -0.15 -0.06 0.02 0.00 0.00 175.26 175.79 1hea s PHE 70 N -1.38 1.57 -0.28 1.61 0.40 -0.96 -0.98 117.98 117.96 1hea s PHE 70 Ca 0.30 -0.53 -0.29 0.00 -0.60 0.00 0.00 56.93 55.80 1hea s PHE 70 Cb -0.13 -0.80 -0.00 0.00 0.51 0.00 0.00 43.02 42.60 1hea s PHE 70 CO 0.22 0.22 1.28 0.34 0.70 0.00 0.00 175.22 177.98 1hea s ASP 71 N -2.62 6.74 -0.36 1.36 2.15 -0.62 -4.81 116.67 118.51 1hea s ASP 71 Ca 0.13 1.28 0.06 0.00 0.43 0.00 0.00 52.55 54.45 1hea s ASP 71 Cb -0.05 -2.54 0.47 0.00 -0.30 0.00 0.00 42.92 40.50 1hea s ASP 71 CO 0.04 -1.01 1.42 -0.90 -0.17 0.00 0.00 175.17 174.56 1hea n ASP 72 N 7.39 4.69 -0.36 -0.34 5.75 -1.26 -4.67 116.55 127.73 1hea n ASP 72 Ca 0.14 -3.78 0.13 0.00 -0.01 0.00 0.00 54.79 51.27 1hea n ASP 72 Cb 0.46 -0.55 0.32 0.00 -1.03 0.00 0.00 41.12 40.32 1hea n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1hea n SER 73 N -0.88 1.38 -3.80 -1.12 3.41 -1.26 -4.88 113.62 106.48 1hea n SER 73 Ca 0.44 -1.16 -0.10 0.00 -0.26 0.00 0.00 58.87 57.79 1hea n SER 73 Cb 0.91 0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.96 1hea n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1hea s GLN 74 N -2.39 0.87 -1.05 4.33 -0.21 -1.26 -5.06 119.66 114.89 1hea s GLN 74 Ca 0.26 -0.83 -0.15 0.00 0.02 0.00 0.00 55.36 54.66 1hea s GLN 74 Cb 0.19 0.36 -0.08 0.00 1.00 0.00 0.00 33.01 34.49 1hea s GLN 74 CO 0.49 -0.29 2.14 -0.25 -2.12 0.00 0.00 175.29 175.26 1hea n ASP 75 N 0.05 4.01 -0.08 5.90 8.00 -1.26 -4.58 116.55 128.59 1hea n ASP 75 Ca -0.16 -2.62 -0.16 0.00 0.71 0.00 0.00 54.79 52.56 1hea n ASP 75 Cb 0.62 -1.28 -0.11 0.00 -0.02 0.00 0.00 41.12 40.33 1hea n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1hea h LYS 76 N 6.80 0.00 -4.64 -1.24 1.57 -1.87 -3.44 116.57 113.75 1hea h LYS 76 Ca 0.52 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.65 1hea h LYS 76 Cb 0.50 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.43 1hea h LYS 76 CO 1.81 0.91 -0.78 0.00 -0.57 0.00 0.00 179.45 180.82 1hea s ALA 77 N -2.31 2.40 0.12 3.86 0.00 -1.26 -3.62 121.76 120.95 1hea s ALA 77 Ca -0.22 -1.76 0.04 0.00 0.00 0.00 0.00 51.96 50.02 1hea s ALA 77 Cb 0.01 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1hea s ALA 77 CO 0.60 -1.29 -0.11 0.14 0.00 0.00 0.00 175.76 175.10 1hea s VAL 78 N 1.18 1.11 -0.08 0.00 -7.23 -0.36 -1.06 120.40 113.96 1hea s VAL 78 Ca -0.04 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.33 1hea s VAL 78 Cb -0.19 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 1hea s VAL 78 CO -0.07 -0.61 -0.17 -0.22 -0.31 0.00 0.00 175.10 173.73 1hea s LEU 79 N -2.74 2.53 0.28 1.32 0.20 0.36 -0.31 118.68 120.31 1hea s LEU 79 Ca 0.11 -0.33 -0.17 0.00 0.69 0.00 0.00 54.13 54.43 1hea s LEU 79 Cb -0.01 -1.52 0.01 0.00 -0.43 0.00 0.00 46.19 44.25 1hea s LEU 79 CO 0.01 0.26 0.62 -1.59 -0.29 0.00 0.00 176.35 175.37 1hea s LYS 80 N -0.25 1.73 1.92 1.98 -2.85 -0.48 -1.51 119.74 120.29 1hea s LYS 80 Ca 0.00 -1.15 0.00 0.00 -1.00 0.00 0.00 55.97 53.83 1hea s LYS 80 Cb -0.13 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 1hea s LYS 80 CO 0.03 -0.77 0.00 0.41 0.10 0.00 0.00 175.35 175.12 1hea n GLY 81 N -0.44 -1.07 7.00 0.59 0.00 -1.26 0.21 105.19 110.22 1hea n GLY 81 Ca -0.03 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1hea n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hea n GLY 82 N 0.00 2.23 0.28 -0.02 0.00 -0.96 -1.73 105.19 104.99 1hea n GLY 82 Ca 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 45.80 1hea n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hea n PRO 83 N 14.00 1.37 -3.44 1.61 -0.04 -1.26 -3.81 135.00 143.43 1hea n PRO 83 Ca 0.00 -0.55 -0.30 0.00 -0.04 0.00 0.00 63.50 62.61 1hea n PRO 83 Cb 0.00 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 1hea n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hea s LEU 84 N -1.60 4.14 -0.14 1.53 1.43 -0.70 -5.08 118.68 118.26 1hea s LEU 84 Ca 0.31 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 1hea s LEU 84 Cb 0.15 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.85 1hea s LEU 84 CO 0.24 -0.10 -0.15 -1.81 0.23 0.00 0.00 176.35 174.76 1hea s ASP 85 N -2.73 2.66 0.00 2.29 1.01 -1.26 -4.37 116.67 114.27 1hea s ASP 85 Ca 0.45 -0.48 0.00 0.00 0.71 0.00 0.00 52.55 53.22 1hea s ASP 85 Cb -0.11 -1.18 0.00 0.00 1.01 0.00 0.00 42.92 42.63 1hea s ASP 85 CO 0.26 -0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.22 1hea n GLY 86 N 4.55 0.52 3.79 0.21 0.00 -1.26 -5.01 105.19 107.99 1hea n GLY 86 Ca -0.18 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 43.37 1hea n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hea s THR 87 N -1.11 5.01 -0.13 2.61 2.01 -1.26 -4.63 115.64 118.14 1hea s THR 87 Ca 0.00 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.05 1hea s THR 87 Cb 0.00 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.36 1hea s THR 87 CO 0.00 0.60 -0.21 -0.31 -0.69 0.00 0.00 174.62 174.01 1hea s TYR 88 N -0.86 2.54 -0.18 4.92 1.51 -0.57 -1.69 117.35 123.03 1hea s TYR 88 Ca 0.13 -1.27 -0.10 0.00 -1.01 0.00 0.00 57.07 54.82 1hea s TYR 88 Cb -0.12 -1.74 -0.05 0.00 -0.11 0.00 0.00 41.96 39.94 1hea s TYR 88 CO 0.03 -0.59 0.17 1.03 -1.11 0.00 0.00 175.55 175.09 1hea s ARG 89 N 0.84 4.09 0.04 -0.62 0.52 -0.72 -0.49 118.95 122.61 1hea s ARG 89 Ca -0.07 -0.13 -0.30 0.00 -0.52 0.00 0.00 55.73 54.71 1hea s ARG 89 Cb -0.15 -3.38 -0.07 0.00 0.52 0.00 0.00 34.95 31.86 1hea s ARG 89 CO -0.02 0.36 1.61 -1.17 0.02 0.00 0.00 175.30 176.11 1hea s LEU 90 N 0.16 4.35 -0.11 2.53 2.96 -0.22 -1.91 118.68 126.44 1hea s LEU 90 Ca 0.11 2.39 0.00 0.00 -0.22 0.00 0.00 54.13 56.41 1hea s LEU 90 Cb -0.12 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.95 1hea s LEU 90 CO 0.00 -0.86 -0.10 0.00 -1.32 0.00 0.00 176.35 174.07 1hea n ILE 91 N 4.81 0.62 -3.63 6.68 3.06 -0.46 -4.55 119.36 125.90 1hea n ILE 91 Ca 0.16 -0.23 -0.08 0.00 -2.50 0.00 0.00 62.75 60.10 1hea n ILE 91 Cb 0.41 -0.97 -0.02 0.00 0.54 0.00 0.00 39.64 39.61 1hea n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1hea s GLN 92 N -2.22 1.25 0.02 9.51 1.03 -1.21 -2.27 119.66 125.77 1hea s GLN 92 Ca -0.15 -0.59 0.01 0.00 0.04 0.00 0.00 55.36 54.68 1hea s GLN 92 Cb 0.04 0.49 -0.01 0.00 0.03 0.00 0.00 33.01 33.56 1hea s GLN 92 CO 0.25 -0.56 -0.05 -0.59 -2.54 0.00 0.00 175.29 171.80 1hea s PHE 93 N -3.50 0.43 0.25 9.60 -0.12 -0.80 -0.25 117.98 123.59 1hea s PHE 93 Ca 0.07 -0.30 -0.11 0.00 -0.05 0.00 0.00 56.93 56.54 1hea s PHE 93 Cb -0.02 -0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 42.09 1hea s PHE 93 CO -0.04 -0.07 0.46 -3.38 -0.05 0.00 0.00 175.22 172.14 1hea s HIS 94 N -0.78 0.46 0.33 3.49 -3.43 -0.36 -1.60 115.29 113.41 1hea s HIS 94 Ca -0.06 -0.81 0.08 0.00 -0.80 0.00 0.00 55.06 53.47 1hea s HIS 94 Cb -0.06 0.13 -0.06 0.00 -1.43 0.00 0.00 32.58 31.15 1hea s HIS 94 CO -0.00 -0.99 -0.07 -0.06 -2.00 0.00 0.00 174.74 171.62 1hea s PHE 95 N -3.94 2.28 -0.06 0.38 0.40 -1.26 -0.63 117.98 115.15 1hea s PHE 95 Ca 0.24 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1hea s PHE 95 Cb -0.00 -1.34 0.02 0.00 0.51 0.00 0.00 43.02 42.21 1hea s PHE 95 CO 0.10 0.47 -0.06 -1.01 0.70 0.00 0.00 175.22 175.42 1hea s HIS 96 N -2.75 0.97 0.18 0.36 3.76 -0.84 -4.75 115.29 112.21 1hea s HIS 96 Ca 0.32 -0.33 -0.02 0.00 -0.15 0.00 0.00 55.06 54.88 1hea s HIS 96 Cb 0.04 -0.83 -0.04 0.00 1.11 0.00 0.00 32.58 32.86 1hea s HIS 96 CO 0.15 -0.26 0.13 1.67 -0.85 0.00 0.00 174.74 175.58 1hea s TRP 97 N 1.09 0.96 0.50 1.40 -2.14 -1.23 -0.93 118.94 118.58 1hea s TRP 97 Ca -0.08 -1.25 0.05 0.00 2.66 0.00 0.00 56.10 57.48 1hea s TRP 97 Cb -0.14 -0.46 0.05 0.00 -3.10 0.00 0.00 33.47 29.83 1hea s TRP 97 CO -0.01 -0.62 0.44 0.41 -2.66 0.00 0.00 176.95 174.51 1hea n GLY 98 N -0.21 2.60 0.17 3.67 0.00 -1.19 -1.97 105.19 108.26 1hea n GLY 98 Ca -0.01 -2.27 0.06 0.00 0.00 0.00 0.00 46.02 43.80 1hea n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1hea h SER 99 N 0.48 0.00 -4.06 1.61 4.64 -1.90 -3.39 113.55 110.94 1hea h SER 99 Ca -0.30 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.69 1hea h SER 99 Cb 1.14 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.08 1hea h SER 99 CO 0.46 0.31 -0.68 -0.76 -0.87 0.00 0.00 176.83 175.28 1hea s LEU 100 N -6.37 2.31 0.47 5.97 2.01 -1.26 -5.04 118.68 116.76 1hea s LEU 100 Ca 0.05 -1.13 0.31 0.00 0.01 0.00 0.00 54.13 53.37 1hea s LEU 100 Cb 0.07 -0.25 1.21 0.00 0.01 0.00 0.00 46.19 47.23 1hea s LEU 100 CO 0.71 -0.46 1.90 0.44 1.01 0.00 0.00 176.35 179.95 1hea h ASP 101 N 2.64 0.00 0.65 2.29 3.32 -1.93 -3.02 116.42 120.37 1hea h ASP 101 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1hea h ASP 101 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1hea h ASP 101 CO 0.64 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.77 1hea n GLY 102 N 0.11 -1.24 3.43 2.75 0.00 -1.26 -3.84 105.19 105.14 1hea n GLY 102 Ca 0.01 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 1hea n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hea s GLN 103 N -2.75 1.31 0.00 1.61 -2.07 -1.14 -4.74 119.66 111.88 1hea s GLN 103 Ca 0.19 -1.22 0.00 0.00 -1.82 0.00 0.00 55.36 52.52 1hea s GLN 103 Cb 0.17 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.50 1hea s GLN 103 CO 0.42 -0.51 0.00 0.41 -1.32 0.00 0.00 175.29 174.29 1hea n GLY 104 N -0.29 3.87 3.79 2.60 0.00 -0.99 -3.20 105.19 110.97 1hea n GLY 104 Ca -0.05 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1hea n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hea s SER 105 N 0.00 4.81 -0.26 1.61 1.04 -0.43 -3.54 113.70 116.94 1hea s SER 105 Ca 0.00 1.71 -0.15 0.00 0.48 0.00 0.00 55.95 57.99 1hea s SER 105 Cb 0.00 -2.48 -0.12 0.00 0.10 0.00 0.00 66.02 63.52 1hea s SER 105 CO 0.00 -1.82 -0.31 -0.62 0.98 0.00 0.00 173.24 171.47 1hea n GLU 106 N -3.38 0.58 -2.32 4.02 1.02 -1.26 -4.82 120.64 114.47 1hea n GLU 106 Ca 0.08 0.29 -0.33 0.00 -0.02 0.00 0.00 57.16 57.18 1hea n GLU 106 Cb 0.53 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1hea n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1hea s HIS 107 N -2.55 3.17 0.08 -0.32 3.76 -1.26 -4.38 115.29 113.79 1hea s HIS 107 Ca -0.36 1.52 0.06 0.00 -0.15 0.00 0.00 55.06 56.12 1hea s HIS 107 Cb 0.12 -2.94 -0.03 0.00 1.11 0.00 0.00 32.58 30.85 1hea s HIS 107 CO 0.48 -0.73 -0.15 0.95 -0.85 0.00 0.00 174.74 174.45 1hea s THR 108 N -2.39 1.21 -0.25 1.30 -4.23 -1.13 -4.70 115.64 105.44 1hea s THR 108 Ca 0.63 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 1hea s THR 108 Cb -0.13 -1.22 0.05 0.00 1.34 0.00 0.00 72.50 72.53 1hea s THR 108 CO 0.30 -0.25 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.34 1hea s VAL 109 N -1.45 2.47 -1.43 2.29 1.01 -0.92 0.10 120.40 122.46 1hea s VAL 109 Ca 0.01 -1.36 -0.08 0.00 0.00 0.00 0.00 61.98 60.55 1hea s VAL 109 Cb -0.09 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 33.99 1hea s VAL 109 CO 0.03 0.08 0.64 0.47 0.00 0.00 0.00 175.10 176.31 1hea n ASP 110 N 4.55 -5.01 0.00 3.32 8.00 0.10 -0.35 116.55 127.16 1hea n ASP 110 Ca -0.15 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1hea n ASP 110 Cb 0.44 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 1hea n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1hea n LYS 111 N -4.04 -0.21 -2.39 -1.24 4.76 -1.26 -5.00 118.16 108.77 1hea n LYS 111 Ca -0.05 0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1hea n LYS 111 Cb 0.57 -3.25 -0.03 0.00 -1.84 0.00 0.00 35.03 30.49 1hea n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1hea s LYS 112 N -0.38 4.37 -0.09 1.97 2.20 0.53 -5.02 119.74 123.32 1hea s LYS 112 Ca 0.00 1.78 -0.11 0.00 -0.36 0.00 0.00 55.97 57.29 1hea s LYS 112 Cb 0.00 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1hea s LYS 112 CO 0.00 -0.39 0.24 0.15 -0.36 0.00 0.00 175.35 175.00 1hea s LYS 113 N 1.71 3.75 0.39 4.03 1.02 -1.26 -2.17 119.74 127.20 1hea s LYS 113 Ca 0.59 0.06 0.08 0.00 0.02 0.00 0.00 55.97 56.72 1hea s LYS 113 Cb -0.28 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1hea s LYS 113 CO 0.26 0.65 0.51 0.71 -0.92 0.00 0.00 175.35 176.56 1hea s TYR 114 N -0.75 2.88 0.28 3.18 1.51 -1.26 -4.74 117.35 118.44 1hea s TYR 114 Ca 0.17 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1hea s TYR 114 Cb -0.14 -2.23 0.41 0.00 -0.11 0.00 0.00 41.96 39.89 1hea s TYR 114 CO 0.07 -0.25 1.74 0.00 -1.11 0.00 0.00 175.55 175.99 1hea h ALA 115 N 0.77 1.12 -2.90 3.71 0.00 -1.57 -1.03 119.26 119.36 1hea h ALA 115 Ca -0.42 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 1hea h ALA 115 Cb 1.27 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1hea h ALA 115 CO 0.49 0.55 -0.01 0.00 0.00 0.00 0.00 179.25 180.28 1hea s ALA 116 N -4.66 -0.41 -0.12 0.00 0.00 -1.17 -3.21 121.76 112.19 1hea s ALA 116 Ca -0.08 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 1hea s ALA 116 Cb 0.14 0.99 0.06 0.00 0.00 0.00 0.00 23.12 24.31 1hea s ALA 116 CO 0.79 -0.90 0.24 -2.00 0.00 0.00 0.00 175.76 173.89 1hea s GLU 117 N -3.73 0.15 -0.04 0.00 2.12 -0.11 -1.78 118.70 115.31 1hea s GLU 117 Ca 0.20 0.66 -0.17 0.00 0.36 0.00 0.00 54.97 56.02 1hea s GLU 117 Cb -0.02 -0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.23 1hea s GLU 117 CO 0.10 -0.25 0.46 -1.17 -0.54 0.00 0.00 175.26 173.86 1hea s LEU 118 N 2.05 4.40 -0.15 2.70 2.96 0.26 -1.99 118.68 128.90 1hea s LEU 118 Ca -0.02 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.84 1hea s LEU 118 Cb -0.12 -2.68 0.02 0.00 0.50 0.00 0.00 46.19 43.92 1hea s LEU 118 CO -0.08 0.18 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.00 1hea s HIS 119 N -0.37 2.16 -0.38 5.38 3.76 0.20 -1.29 115.29 124.74 1hea s HIS 119 Ca 0.25 -1.23 -0.11 0.00 -0.15 0.00 0.00 55.06 53.82 1hea s HIS 119 Cb -0.16 -1.58 0.03 0.00 1.11 0.00 0.00 32.58 31.98 1hea s HIS 119 CO 0.13 -0.67 0.22 -0.51 -0.85 0.00 0.00 174.74 173.05 1hea s LEU 120 N 1.49 4.78 -0.08 0.89 1.02 -0.78 -1.22 118.68 124.77 1hea s LEU 120 Ca 0.04 -1.04 -0.18 0.00 0.02 0.00 0.00 54.13 52.97 1hea s LEU 120 Cb -0.13 -2.03 -0.05 0.00 0.02 0.00 0.00 46.19 44.01 1hea s LEU 120 CO -0.10 -0.40 0.49 -0.69 0.02 0.00 0.00 176.35 175.66 1hea s VAL 121 N 1.55 5.12 0.04 -1.59 1.01 0.65 -1.56 120.40 125.63 1hea s VAL 121 Ca 0.02 1.00 0.04 0.00 0.00 0.00 0.00 61.98 63.03 1hea s VAL 121 Cb -0.19 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1hea s VAL 121 CO 0.06 0.37 -0.11 -1.00 0.00 0.00 0.00 175.10 174.43 1hea s HIS 122 N 0.28 0.94 0.01 5.22 3.76 -0.58 -1.35 115.29 123.57 1hea s HIS 122 Ca 0.27 -0.40 0.07 0.00 -0.15 0.00 0.00 55.06 54.84 1hea s HIS 122 Cb -0.16 -0.55 -0.02 0.00 1.11 0.00 0.00 32.58 32.96 1hea s HIS 122 CO 0.12 -0.01 -0.20 1.67 -0.85 0.00 0.00 174.74 175.47 1hea s TRP 123 N -1.06 1.81 -0.28 1.40 1.48 -0.80 -1.04 118.94 120.45 1hea s TRP 123 Ca -0.03 -0.36 -0.28 0.00 -1.06 0.00 0.00 56.10 54.37 1hea s TRP 123 Cb -0.08 -1.12 -0.04 0.00 -1.16 0.00 0.00 33.47 31.06 1hea s TRP 123 CO 0.01 0.03 2.15 1.21 -4.06 0.00 0.00 176.95 176.28 1hea s ASN 124 N -0.81 5.44 0.59 -2.66 3.84 0.23 -1.76 114.94 119.80 1hea s ASN 124 Ca 0.08 1.66 0.29 0.00 0.21 0.00 0.00 52.86 55.09 1hea s ASN 124 Cb -0.08 -2.51 1.45 0.00 -0.55 0.00 0.00 41.25 39.56 1hea s ASN 124 CO 0.00 -2.01 1.87 0.71 -2.79 0.00 0.00 177.10 174.88 1hea h THR 125 N 7.13 0.35 0.00 -5.21 1.35 -1.67 -1.79 112.91 113.08 1hea h THR 125 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1hea h THR 125 Cb 1.23 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1hea h THR 125 CO 1.00 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.56 1hea n LYS 127 N -3.72 0.05 0.00 4.72 2.85 -1.26 -2.94 118.16 117.86 1hea n LYS 127 Ca 0.10 0.26 0.14 0.00 -1.05 0.00 0.00 58.31 57.77 1hea n LYS 127 Cb 0.73 -1.50 0.61 0.00 -0.65 0.00 0.00 35.03 34.22 1hea n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1hea n TYR 128 N -1.44 0.00 0.00 5.58 4.01 -0.67 -4.98 117.16 119.66 1hea n TYR 128 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1hea n TYR 128 Cb 0.12 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1hea n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hea n GLY 129 N 1.19 1.09 3.26 2.72 0.00 -1.15 -4.58 105.19 107.71 1hea n GLY 129 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 1hea n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1hea s ASP 130 N 0.00 -0.02 0.27 1.61 1.47 -1.26 -5.05 116.67 113.69 1hea s ASP 130 Ca 0.00 -0.55 -0.04 0.00 1.18 0.00 0.00 52.55 53.14 1hea s ASP 130 Cb 0.00 0.40 0.34 0.00 -0.34 0.00 0.00 42.92 43.32 1hea s ASP 130 CO 0.00 -0.80 1.91 0.15 0.68 0.00 0.00 175.17 177.11 1hea h PHE 131 N 2.58 1.11 -0.50 2.11 3.04 -1.94 -2.28 116.94 121.07 1hea h PHE 131 Ca -0.34 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.57 1hea h PHE 131 Cb 1.22 -0.36 -0.02 0.00 2.56 0.00 0.00 35.95 39.35 1hea h PHE 131 CO 0.39 0.75 0.17 0.78 -2.02 0.00 0.00 178.31 178.38 1hea h GLY 132 N 1.18 0.77 1.94 2.40 0.00 -1.96 -1.87 103.07 105.53 1hea h GLY 132 Ca 0.30 -0.39 -0.21 0.00 0.00 0.00 0.00 47.33 47.03 1hea h GLY 132 CO -0.05 0.37 -1.02 0.50 0.00 0.00 0.00 176.54 176.34 1hea h LYS 133 N 0.71 0.00 -0.83 4.80 1.79 -1.78 -3.29 116.57 117.97 1hea h LYS 133 Ca 0.17 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.66 1hea h LYS 133 Cb 0.18 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.78 1hea h LYS 133 CO -0.01 0.95 0.54 0.00 -1.08 0.00 0.00 179.45 179.84 1hea h ALA 134 N 1.02 1.08 0.00 3.86 0.00 -0.90 -1.62 119.26 122.69 1hea h ALA 134 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hea h ALA 134 Cb 1.77 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1hea h ALA 134 CO 0.12 0.39 0.00 1.33 0.00 0.00 0.00 179.25 181.09 1hea n VAL 135 N -4.55 0.00 0.05 0.00 0.24 -0.75 -1.32 118.33 112.00 1hea n VAL 135 Ca 0.10 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.40 1hea n VAL 135 Cb 0.07 -0.38 0.01 0.00 -1.47 0.00 0.00 33.84 32.06 1hea n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hea n GLN 136 N 0.09 -0.51 -4.41 7.34 6.02 -0.61 -4.96 117.38 120.34 1hea n GLN 136 Ca 0.00 -0.66 -0.28 0.00 -0.01 0.00 0.00 57.00 56.05 1hea n GLN 136 Cb 0.19 -1.03 -0.12 0.00 1.02 0.00 0.00 30.24 30.30 1hea n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1hea s GLN 137 N -0.19 1.48 0.44 -1.09 -1.52 -0.44 -5.04 119.66 113.30 1hea s GLN 137 Ca 0.02 -1.44 0.18 0.00 -1.95 0.00 0.00 55.36 52.17 1hea s GLN 137 Cb 0.01 -1.88 1.03 0.00 -0.22 0.00 0.00 33.01 31.95 1hea s GLN 137 CO 0.02 0.42 1.94 -1.00 -0.25 0.00 0.00 175.29 176.42 1hea h PRO 138 N 3.49 0.00 -0.56 2.91 0.13 -1.86 -2.63 132.00 133.49 1hea h PRO 138 Ca -0.48 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.24 1hea h PRO 138 Cb 1.19 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 1hea h PRO 138 CO 0.44 0.24 -0.65 -0.40 -0.23 0.00 0.00 178.00 177.40 1hea n ASP 139 N -3.96 4.16 -0.10 1.44 5.75 -1.26 -4.19 116.55 118.39 1hea n ASP 139 Ca -0.02 -3.79 -0.14 0.00 -0.01 0.00 0.00 54.79 50.83 1hea n ASP 139 Cb 0.32 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.95 1hea n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1hea h GLY 140 N 1.84 0.99 -3.70 6.12 0.00 -1.09 -3.43 103.07 103.80 1hea h GLY 140 Ca 0.28 -1.06 -0.61 0.00 0.00 0.00 0.00 47.33 45.94 1hea h GLY 140 CO 0.60 0.96 -0.83 1.08 0.00 0.00 0.00 176.54 178.34 1hea s LEU 141 N -8.83 2.36 -0.08 3.11 1.43 0.13 -0.60 118.68 116.21 1hea s LEU 141 Ca -0.11 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 1hea s LEU 141 Cb 0.11 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.32 1hea s LEU 141 CO 0.88 0.09 -0.06 0.00 0.23 0.00 0.00 176.35 177.49 1hea s ALA 142 N -1.43 1.05 -0.17 4.21 0.00 -0.21 -0.67 121.76 124.54 1hea s ALA 142 Ca 0.14 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1hea s ALA 142 Cb -0.09 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1hea s ALA 142 CO 0.06 -0.27 -0.18 0.08 0.00 0.00 0.00 175.76 175.45 1hea s VAL 143 N 1.46 2.24 -0.31 0.00 1.01 -1.04 -1.52 120.40 122.23 1hea s VAL 143 Ca -0.01 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 1hea s VAL 143 Cb -0.13 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1hea s VAL 143 CO -0.04 0.53 0.95 -0.22 0.00 0.00 0.00 175.10 176.32 1hea s LEU 144 N 1.18 4.01 -0.25 3.92 0.20 -0.60 -1.34 118.68 125.80 1hea s LEU 144 Ca 0.02 0.89 -0.09 0.00 0.69 0.00 0.00 54.13 55.64 1hea s LEU 144 Cb -0.14 -3.34 -0.04 0.00 -0.43 0.00 0.00 46.19 42.24 1hea s LEU 144 CO -0.09 -0.76 0.14 -0.83 -0.29 0.00 0.00 176.35 174.52 1hea s GLY 145 N 1.62 1.89 -0.16 7.98 0.00 0.11 -1.86 107.32 116.90 1hea s GLY 145 Ca 0.40 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 44.10 1hea s GLY 145 CO 0.14 0.50 -0.19 -0.42 0.00 0.00 0.00 173.10 173.13 1hea s ILE 146 N 1.43 1.91 0.29 0.90 1.01 -0.41 -0.72 121.20 125.61 1hea s ILE 146 Ca 0.06 -0.86 -0.28 0.00 0.00 0.00 0.00 60.65 59.57 1hea s ILE 146 Cb -0.15 -1.73 -0.09 0.00 0.01 0.00 0.00 42.46 40.50 1hea s ILE 146 CO 0.06 0.52 0.96 -0.36 0.00 0.00 0.00 174.94 176.12 1hea s PHE 147 N 1.17 3.79 -0.14 3.97 0.08 -1.26 -0.57 117.98 125.01 1hea s PHE 147 Ca 0.01 1.83 -0.02 0.00 0.12 0.00 0.00 56.93 58.86 1hea s PHE 147 Cb -0.14 -2.99 -0.02 0.00 -0.57 0.00 0.00 43.02 39.30 1hea s PHE 147 CO -0.08 0.21 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.65 1hea s LEU 148 N -1.67 3.02 0.18 -0.37 1.02 -0.73 -0.66 118.68 119.46 1hea s LEU 148 Ca 0.46 -0.21 0.10 0.00 0.02 0.00 0.00 54.13 54.50 1hea s LEU 148 Cb -0.23 -1.70 -0.04 0.00 0.02 0.00 0.00 46.19 44.24 1hea s LEU 148 CO 0.29 0.18 -0.14 -1.59 0.02 0.00 0.00 176.35 175.11 1hea s LYS 149 N 0.27 1.89 -0.06 1.70 -2.85 0.39 -2.39 119.74 118.69 1hea s LYS 149 Ca -0.06 -1.32 -0.23 0.00 -1.00 0.00 0.00 55.97 53.36 1hea s LYS 149 Cb -0.15 -2.07 -0.04 0.00 -2.06 0.00 0.00 37.83 33.51 1hea s LYS 149 CO 0.04 0.43 0.67 0.08 0.10 0.00 0.00 175.35 176.67 1hea s VAL 150 N -1.63 5.03 0.00 1.79 1.01 -1.26 -1.01 120.40 124.33 1hea s VAL 150 Ca 0.23 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1hea s VAL 150 Cb -0.09 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1hea s VAL 150 CO 0.13 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1hea n GLY 151 N 3.01 0.48 3.85 4.51 0.00 0.14 -4.84 105.19 112.34 1hea n GLY 151 Ca -0.02 0.49 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 1hea n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hea s SER 152 N 2.00 6.68 0.56 1.61 0.01 -1.26 -3.97 113.70 119.32 1hea s SER 152 Ca 0.00 1.38 -0.21 0.00 1.31 0.00 0.00 55.95 58.44 1hea s SER 152 Cb 0.00 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1hea s SER 152 CO 0.00 -0.40 1.28 0.00 0.41 0.00 0.00 173.24 174.52 1hea s ALA 153 N -2.33 2.70 -0.40 1.44 0.00 -1.26 -2.43 121.76 119.49 1hea s ALA 153 Ca 0.56 1.17 -0.08 0.00 0.00 0.00 0.00 51.96 53.60 1hea s ALA 153 Cb -0.10 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.58 1hea s ALA 153 CO 0.25 -1.24 0.22 0.21 0.00 0.00 0.00 175.76 175.20 1hea s LYS 154 N -3.06 2.60 0.17 0.00 2.47 -1.25 -4.83 119.74 115.84 1hea s LYS 154 Ca 0.74 -1.37 -0.15 0.00 -1.56 0.00 0.00 55.97 53.63 1hea s LYS 154 Cb -0.35 -3.69 0.14 0.00 -1.46 0.00 0.00 37.83 32.47 1hea s LYS 154 CO 0.40 -0.87 1.70 -1.35 0.16 0.00 0.00 175.35 175.40 1hea h PRO 155 N 8.35 0.15 -0.00 4.03 0.11 -1.92 -1.75 132.00 140.97 1hea h PRO 155 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1hea h PRO 155 Cb 1.08 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1hea h PRO 155 CO 0.71 0.10 0.25 0.78 -0.21 0.00 0.00 178.00 179.63 1hea h GLY 156 N 0.16 0.00 0.59 -0.55 0.00 -1.94 -2.34 103.07 98.99 1hea h GLY 156 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1hea h GLY 156 CO -0.33 0.00 -1.32 -0.10 0.00 0.00 0.00 176.54 174.79 1hea n LEU 157 N -2.94 0.53 -0.08 3.11 7.94 -0.66 -4.53 117.00 120.38 1hea n LEU 157 Ca -0.02 0.15 0.05 0.00 -1.11 0.00 0.00 56.01 55.08 1hea n LEU 157 Cb 0.30 -0.05 0.40 0.00 0.53 0.00 0.00 43.42 44.60 1hea n LEU 157 CO 0.15 -0.08 1.19 -0.61 -1.11 0.00 0.00 177.39 176.93 1hea h GLN 158 N 0.00 0.61 -0.17 1.96 5.75 -1.45 -1.95 115.11 119.87 1hea h GLN 158 Ca 0.00 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1hea h GLN 158 Cb 0.94 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 1hea h GLN 158 CO 0.00 0.41 -0.03 0.87 -2.65 0.00 0.00 178.83 177.43 1hea h LYS 159 N 0.63 0.25 0.24 1.69 1.57 -1.79 -0.40 116.57 118.75 1hea h LYS 159 Ca 0.22 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1hea h LYS 159 Cb 0.09 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1hea h LYS 159 CO -0.06 0.30 -0.11 0.28 -0.57 0.00 0.00 179.45 179.29 1hea h VAL 160 N 0.24 0.80 -0.88 0.50 2.07 -1.68 -3.14 116.25 114.16 1hea h VAL 160 Ca 0.06 -0.78 0.12 0.00 0.82 0.00 0.00 66.70 66.91 1hea h VAL 160 Cb 0.22 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 1hea h VAL 160 CO 0.01 0.16 0.51 0.58 0.02 0.00 0.00 177.57 178.84 1hea h VAL 161 N -0.75 0.86 0.00 2.57 2.07 -0.87 -1.85 116.25 118.28 1hea h VAL 161 Ca -0.03 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1hea h VAL 161 Cb 0.50 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1hea h VAL 161 CO 0.05 0.15 -0.06 0.44 0.02 0.00 0.00 177.57 178.17 1hea h ASP 162 N 0.80 0.00 0.35 0.57 3.32 -1.09 -3.14 116.42 117.22 1hea h ASP 162 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1hea h ASP 162 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1hea h ASP 162 CO -0.29 0.06 -0.50 0.55 -1.72 0.00 0.00 179.24 177.35 1hea n VAL 163 N -3.25 0.00 -0.12 -1.35 3.14 -0.70 -4.33 118.33 111.71 1hea n VAL 163 Ca -0.01 -0.04 0.06 0.00 -2.96 0.00 0.00 64.34 61.39 1hea n VAL 163 Cb 0.28 0.43 0.38 0.00 -1.06 0.00 0.00 33.84 33.86 1hea n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1hea h LEU 164 N 0.41 0.60 -2.25 6.55 3.38 -1.51 -1.76 115.31 120.72 1hea h LEU 164 Ca 0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1hea h LEU 164 Cb 0.51 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1hea h LEU 164 CO 0.00 0.41 0.02 0.44 0.09 0.00 0.00 178.44 179.40 1hea h ASP 165 N 0.69 0.00 1.82 -0.43 3.32 -1.80 -2.35 116.42 117.67 1hea h ASP 165 Ca 0.26 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1hea h ASP 165 Cb 0.15 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1hea h ASP 165 CO -0.07 0.00 -0.08 0.28 -1.72 0.00 0.00 179.24 177.65 1hea h SER 166 N 0.00 0.00 -1.13 6.45 0.02 -1.63 -3.33 113.55 113.93 1hea h SER 166 Ca 0.01 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.49 1hea h SER 166 Cb 0.06 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.19 1hea h SER 166 CO -0.00 0.08 -0.93 2.30 -1.14 0.00 0.00 176.83 177.13 1hea n ILE 167 N -3.12 1.84 -0.04 3.27 -5.35 -0.89 -4.74 119.36 110.32 1hea n ILE 167 Ca 0.03 -4.02 -0.01 0.00 -0.27 0.00 0.00 62.75 58.48 1hea n ILE 167 Cb 0.54 -0.36 0.26 0.00 -1.74 0.00 0.00 39.64 38.34 1hea n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1hea h LYS 168 N 2.66 0.62 -6.21 6.28 3.64 -1.65 -3.41 116.57 118.49 1hea h LYS 168 Ca 0.14 -0.13 -0.54 0.00 -1.27 0.00 0.00 60.65 58.85 1hea h LYS 168 Cb 1.13 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.79 1hea h LYS 168 CO 0.65 0.62 -0.58 0.95 -2.27 0.00 0.00 179.45 178.82 1hea s THR 169 N -5.03 4.09 0.10 1.00 -4.23 -1.26 -0.86 115.64 109.46 1hea s THR 169 Ca -0.08 -1.51 -0.35 0.00 -1.18 0.00 0.00 61.69 58.57 1hea s THR 169 Cb 0.15 -3.18 -0.14 0.00 1.34 0.00 0.00 72.50 70.68 1hea s THR 169 CO 0.78 -0.30 1.58 1.17 -0.54 0.00 0.00 174.62 177.30 1hea n LYS 170 N -0.89 1.95 0.00 3.99 4.81 0.08 -2.43 118.16 125.68 1hea n LYS 170 Ca -0.08 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1hea n LYS 170 Cb 0.58 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.17 1hea n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hea n GLY 171 N 3.41 1.88 3.77 3.14 0.00 0.20 -4.57 105.19 113.03 1hea n GLY 171 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1hea n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hea s LYS 172 N -0.90 4.05 0.08 1.61 -0.14 -1.02 -4.85 119.74 118.57 1hea s LYS 172 Ca 0.00 1.70 -0.04 0.00 -1.36 0.00 0.00 55.97 56.27 1hea s LYS 172 Cb 0.00 -2.58 -0.03 0.00 -1.68 0.00 0.00 37.83 33.54 1hea s LYS 172 CO 0.00 -0.29 0.06 -1.54 -0.76 0.00 0.00 175.35 172.82 1hea s SER 173 N -1.34 0.34 -0.10 2.83 1.04 -1.26 -0.99 113.70 114.22 1hea s SER 173 Ca 0.58 -0.93 -0.13 0.00 0.48 0.00 0.00 55.95 55.96 1hea s SER 173 Cb -0.27 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.15 1hea s SER 173 CO 0.34 -0.67 0.34 0.00 0.98 0.00 0.00 173.24 174.23 1hea s ALA 174 N -3.92 -0.85 0.35 5.32 0.00 0.12 -4.90 121.76 117.86 1hea s ALA 174 Ca 0.09 0.81 -0.28 0.00 0.00 0.00 0.00 51.96 52.59 1hea s ALA 174 Cb 0.07 -0.40 -0.12 0.00 0.00 0.00 0.00 23.12 22.67 1hea s ALA 174 CO -0.08 -0.19 1.26 -0.25 0.00 0.00 0.00 175.76 176.50 1hea n ASP 175 N 2.44 2.60 -2.96 0.00 8.00 -1.26 -0.59 116.55 124.77 1hea n ASP 175 Ca -0.15 1.19 -0.14 0.00 0.71 0.00 0.00 54.79 56.40 1hea n ASP 175 Cb 0.57 -1.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.19 1hea n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1hea n PHE 176 N 0.26 -2.36 -3.19 1.24 7.35 0.16 -4.70 117.46 116.22 1hea n PHE 176 Ca 0.05 -2.35 -0.18 0.00 -0.76 0.00 0.00 57.45 54.21 1hea n PHE 176 Cb 0.36 0.88 0.01 0.00 0.35 0.00 0.00 39.48 41.07 1hea n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hea s THR 177 N 0.18 3.49 -1.63 -2.13 -4.23 -1.26 -2.87 115.64 107.19 1hea s THR 177 Ca 0.32 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1hea s THR 177 Cb 0.13 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1hea s THR 177 CO -0.16 -0.08 0.29 0.59 -0.54 0.00 0.00 174.62 174.72 1hea n ASN 178 N -1.79 -5.91 -4.70 3.99 4.13 -1.26 -4.96 115.26 104.76 1hea n ASN 178 Ca 0.04 -0.14 -0.37 0.00 1.68 0.00 0.00 54.58 55.79 1hea n ASN 178 Cb 0.59 -4.83 -0.08 0.00 -1.54 0.00 0.00 39.78 33.92 1hea n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1hea s PHE 179 N -3.09 3.41 -0.34 3.10 5.36 -1.26 -5.03 117.98 120.13 1hea s PHE 179 Ca 0.14 0.50 -0.09 0.00 -0.96 0.00 0.00 56.93 56.52 1hea s PHE 179 Cb -0.06 -2.35 0.02 0.00 -0.34 0.00 0.00 43.02 40.28 1hea s PHE 179 CO 0.18 0.15 0.16 0.34 -1.46 0.00 0.00 175.22 174.59 1hea s ASP 180 N 0.70 5.54 0.39 6.13 -1.08 -1.26 -4.42 116.67 122.66 1hea s ASP 180 Ca 0.15 -0.85 0.28 0.00 -0.52 0.00 0.00 52.55 51.61 1hea s ASP 180 Cb -0.13 -1.97 1.33 0.00 -1.46 0.00 0.00 42.92 40.69 1hea s ASP 180 CO 0.04 -0.30 1.84 1.55 0.52 0.00 0.00 175.17 178.83 1hea h PRO 181 N 8.35 0.00 -0.08 4.34 0.13 -1.96 -2.86 132.00 139.93 1hea h PRO 181 Ca -0.28 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1hea h PRO 181 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1hea h PRO 181 CO 0.64 0.00 0.12 0.00 -0.23 0.00 0.00 178.00 178.53 1hea h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.93 -1.76 114.38 114.63 1hea h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1hea h ARG 182 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1hea h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1hea n GLY 183 N -1.29 -0.96 0.66 0.04 0.00 -1.08 -3.13 105.19 99.44 1hea n GLY 183 Ca -0.01 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.94 1hea n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hea n LEU 184 N -1.16 2.61 -4.83 0.99 4.77 -0.66 -4.37 117.00 114.35 1hea n LEU 184 Ca 0.15 -1.46 -0.36 0.00 -0.03 0.00 0.00 56.01 54.31 1hea n LEU 184 Cb 0.15 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1hea n LEU 184 CO 0.17 0.57 0.28 -0.76 -1.33 0.00 0.00 177.39 176.32 1hea s LEU 185 N -1.08 4.40 1.06 2.23 1.43 -1.18 -4.95 118.68 120.58 1hea s LEU 185 Ca 0.22 1.21 -0.17 0.00 -1.03 0.00 0.00 54.13 54.36 1hea s LEU 185 Cb 0.13 -3.22 0.23 0.00 0.03 0.00 0.00 46.19 43.36 1hea s LEU 185 CO 0.18 0.14 1.19 -2.16 0.23 0.00 0.00 176.35 175.94 1hea s PRO 186 N -1.70 -0.11 0.04 1.29 0.04 -1.26 -5.00 135.00 128.30 1hea s PRO 186 Ca 0.36 -0.12 -0.18 0.00 0.04 0.00 0.00 61.00 61.11 1hea s PRO 186 Cb -0.17 -1.73 -0.18 0.00 0.04 0.00 0.00 34.50 32.46 1hea s PRO 186 CO 0.20 -2.97 1.22 1.49 0.04 0.00 0.00 177.00 176.98 1hea h GLU 187 N -2.04 0.53 -6.10 4.56 4.81 -1.92 -3.45 114.58 110.97 1hea h GLU 187 Ca -0.46 -0.45 -0.59 0.00 -0.13 0.00 0.00 59.36 57.73 1hea h GLU 187 Cb 1.28 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.71 1hea h GLU 187 CO 0.41 1.08 -0.28 0.45 -0.73 0.00 0.00 179.01 179.93 1hea s SER 188 N -6.72 6.57 -0.02 1.04 0.15 -1.26 -5.01 113.70 108.45 1hea s SER 188 Ca -0.13 0.70 0.17 0.00 0.70 0.00 0.00 55.95 57.40 1hea s SER 188 Cb 0.06 -2.14 0.51 0.00 -1.71 0.00 0.00 66.02 62.74 1hea s SER 188 CO 0.83 0.14 1.43 0.18 1.20 0.00 0.00 173.24 177.03 1hea n LEU 189 N 0.67 3.64 -4.78 3.45 4.77 -1.26 -4.74 117.00 118.76 1hea n LEU 189 Ca -0.07 -2.10 -0.41 0.00 -0.03 0.00 0.00 56.01 53.40 1hea n LEU 189 Cb 0.52 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1hea n LEU 189 CO 0.44 0.85 1.12 -1.81 -1.33 0.00 0.00 177.39 176.66 1hea s ASP 190 N -1.03 6.29 0.27 -1.43 1.01 -1.26 -4.77 116.67 115.75 1hea s ASP 190 Ca 0.39 3.02 -0.08 0.00 0.71 0.00 0.00 52.55 56.58 1hea s ASP 190 Cb 0.21 -2.67 -0.00 0.00 1.01 0.00 0.00 42.92 41.47 1hea s ASP 190 CO 0.24 -0.91 0.45 -0.72 0.21 0.00 0.00 175.17 174.44 1hea s TYR 191 N -1.13 0.66 0.09 4.23 1.13 -1.26 -1.69 117.35 119.37 1hea s TYR 191 Ca 0.54 -0.98 0.08 0.00 -1.41 0.00 0.00 57.07 55.30 1hea s TYR 191 Cb -0.46 0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.41 1hea s TYR 191 CO 0.62 -1.01 -0.16 -1.58 -2.51 0.00 0.00 175.55 170.90 1hea s TRP 192 N -3.69 2.59 -0.01 -3.49 0.51 -0.44 -0.56 118.94 113.86 1hea s TRP 192 Ca 0.27 -0.23 -0.05 0.00 -2.12 0.00 0.00 56.10 53.96 1hea s TRP 192 Cb 0.00 -1.40 0.00 0.00 -0.81 0.00 0.00 33.47 31.27 1hea s TRP 192 CO 0.13 0.37 0.11 -0.08 -0.51 0.00 0.00 176.95 176.96 1hea s THR 193 N -1.11 0.06 -0.02 2.01 -1.32 -0.12 -1.12 115.64 114.02 1hea s THR 193 Ca 0.18 -0.53 -0.29 0.00 -1.21 0.00 0.00 61.69 59.84 1hea s THR 193 Cb -0.11 -0.33 0.09 0.00 -1.51 0.00 0.00 72.50 70.64 1hea s THR 193 CO 0.10 -0.29 0.80 -0.72 -2.21 0.00 0.00 174.62 172.30 1hea s TYR 194 N -0.98 -0.48 -0.03 9.09 1.13 -1.17 -1.64 117.35 123.27 1hea s TYR 194 Ca -0.11 0.60 -0.30 0.00 -1.41 0.00 0.00 57.07 55.85 1hea s TYR 194 Cb -0.06 0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 41.26 1hea s TYR 194 CO 0.01 -0.57 1.02 -1.25 -2.51 0.00 0.00 175.55 172.25 1hea s PRO 195 N -2.19 4.49 0.00 -3.49 0.05 -1.26 -1.51 135.00 131.09 1hea s PRO 195 Ca -0.02 1.46 0.00 0.00 0.05 0.00 0.00 61.00 62.49 1hea s PRO 195 Cb -0.01 -3.48 0.00 0.00 0.05 0.00 0.00 34.50 31.06 1hea s PRO 195 CO -0.02 -0.18 0.00 0.41 0.05 0.00 0.00 177.00 177.26 1hea n GLY 196 N 3.02 4.14 3.35 0.56 0.00 0.99 -4.85 105.19 112.40 1hea n GLY 196 Ca 0.07 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 1hea n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hea s SER 197 N 1.74 0.83 0.64 1.61 1.04 -1.00 -3.00 113.70 115.55 1hea s SER 197 Ca 0.00 -1.48 -0.14 0.00 0.48 0.00 0.00 55.95 54.80 1hea s SER 197 Cb 0.00 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 1hea s SER 197 CO 0.00 -1.07 1.07 -0.13 0.98 0.00 0.00 173.24 174.09 1hea s ARG 198 N -3.61 3.08 0.00 4.02 0.52 -0.61 -4.52 118.95 117.83 1hea s ARG 198 Ca 0.35 1.20 0.24 0.00 -0.52 0.00 0.00 55.73 57.01 1hea s ARG 198 Cb 0.03 -2.00 0.37 0.00 0.52 0.00 0.00 34.95 33.87 1hea s ARG 198 CO 0.19 -1.01 1.36 0.25 0.02 0.00 0.00 175.30 176.12 1hea n THR 199 N -2.39 0.12 -4.28 0.02 -2.24 -1.26 -4.44 114.28 99.81 1hea n THR 199 Ca 0.09 -0.52 -0.22 0.00 -2.27 0.00 0.00 64.05 61.13 1hea n THR 199 Cb 0.53 1.21 -0.12 0.00 -2.10 0.00 0.00 70.33 69.85 1hea n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1hea s THR 200 N -1.88 1.64 0.51 4.28 -4.23 -1.26 -4.74 115.64 109.97 1hea s THR 200 Ca 0.32 -1.62 -0.20 0.00 -1.18 0.00 0.00 61.69 59.01 1hea s THR 200 Cb 0.21 -1.57 -0.10 0.00 1.34 0.00 0.00 72.50 72.38 1hea s THR 200 CO 0.31 -0.17 0.58 -2.65 -0.54 0.00 0.00 174.62 172.15 1hea n PRO 201 N 0.88 0.62 0.00 3.99 -0.02 -1.26 -1.32 135.00 137.88 1hea n PRO 201 Ca -0.18 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1hea n PRO 201 Cb 0.55 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1hea n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1hea n PRO 202 N 0.14 0.00 -4.23 0.52 -0.04 -1.26 -4.99 135.00 125.14 1hea n PRO 202 Ca 0.11 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 1hea n PRO 202 Cb 0.44 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 1hea n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1hea n LEU 203 N -0.75 -1.68 -4.74 1.53 4.77 -0.43 -4.88 117.00 110.81 1hea n LEU 203 Ca 0.00 -1.02 -0.41 0.00 -0.03 0.00 0.00 56.01 54.55 1hea n LEU 203 Cb 0.00 -2.07 -0.02 0.00 -2.33 0.00 0.00 43.42 38.99 1hea n LEU 203 CO 0.00 0.29 1.09 -0.76 -1.33 0.00 0.00 177.39 176.68 1hea s LEU 204 N -7.27 4.39 -1.45 2.23 1.43 -1.26 -4.41 118.68 112.34 1hea s LEU 204 Ca 0.74 2.61 -0.12 0.00 -1.03 0.00 0.00 54.13 56.33 1hea s LEU 204 Cb -0.40 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.24 1hea s LEU 204 CO 0.93 -0.68 2.33 -0.62 0.23 0.00 0.00 176.35 178.54 1hea n GLU 205 N 2.53 3.29 0.00 1.70 1.02 -1.26 -1.57 120.64 126.35 1hea n GLU 205 Ca 0.07 -2.75 0.00 0.00 -0.02 0.00 0.00 57.16 54.46 1hea n GLU 205 Cb 0.41 -3.08 0.00 0.00 -0.02 0.00 0.00 31.44 28.75 1hea n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hea s VAL 207 N -0.36 5.33 -0.34 0.00 1.01 -1.16 -0.69 120.40 124.18 1hea s VAL 207 Ca 0.00 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 1hea s VAL 207 Cb 0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1hea s VAL 207 CO 0.00 0.40 0.26 -0.89 0.00 0.00 0.00 175.10 174.88 1hea s THR 208 N 0.43 5.27 0.03 3.92 2.01 0.16 -0.00 115.64 127.45 1hea s THR 208 Ca 0.14 -0.20 -0.22 0.00 0.31 0.00 0.00 61.69 61.73 1hea s THR 208 Cb -0.12 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.59 1hea s THR 208 CO 0.02 -0.04 0.64 0.26 -0.69 0.00 0.00 174.62 174.82 1hea s TRP 209 N 1.76 3.73 -0.27 4.92 0.52 -0.57 -2.49 118.94 126.54 1hea s TRP 209 Ca 0.07 1.30 0.00 0.00 0.02 0.00 0.00 56.10 57.49 1hea s TRP 209 Cb -0.17 -2.64 0.08 0.00 -1.15 0.00 0.00 33.47 29.58 1hea s TRP 209 CO 0.11 0.39 0.03 0.42 0.02 0.00 0.00 176.95 177.91 1hea s ILE 210 N -0.38 1.24 -0.31 2.03 1.01 -0.45 -3.04 121.20 121.30 1hea s ILE 210 Ca 0.32 -1.35 -0.10 0.00 0.00 0.00 0.00 60.65 59.52 1hea s ILE 210 Cb -0.19 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 1hea s ILE 210 CO 0.19 -0.40 0.17 -0.69 0.00 0.00 0.00 174.94 174.21 1hea s VAL 211 N 1.48 4.83 0.31 2.92 1.01 -0.28 0.10 120.40 130.76 1hea s VAL 211 Ca 0.03 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 1hea s VAL 211 Cb -0.18 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 1hea s VAL 211 CO -0.14 0.09 1.25 -0.76 0.00 0.00 0.00 175.10 175.54 1hea s LEU 212 N 1.66 4.46 0.04 3.92 1.02 0.10 -1.33 118.68 128.55 1hea s LEU 212 Ca 0.05 2.55 -0.20 0.00 0.02 0.00 0.00 54.13 56.55 1hea s LEU 212 Cb -0.17 -3.64 -0.15 0.00 0.02 0.00 0.00 46.19 42.26 1hea s LEU 212 CO 0.08 -0.42 1.33 0.50 0.02 0.00 0.00 176.35 177.86 1hea h LYS 213 N 3.64 0.37 -5.88 1.70 3.64 -1.66 -3.43 116.57 114.96 1hea h LYS 213 Ca -0.48 -0.21 -0.57 0.00 -1.27 0.00 0.00 60.65 58.12 1hea h LYS 213 Cb 1.22 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.98 1hea h LYS 213 CO 0.67 0.77 0.09 -2.00 -2.27 0.00 0.00 179.45 176.71 1hea s GLU 214 N -4.23 4.35 0.69 1.90 2.12 -1.26 -5.03 118.70 117.23 1hea s GLU 214 Ca -0.14 0.76 -0.11 0.00 0.36 0.00 0.00 54.97 55.83 1hea s GLU 214 Cb 0.05 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1hea s GLU 214 CO 0.76 -0.05 1.08 -1.25 -0.54 0.00 0.00 175.26 175.26 1hea s PRO 215 N 1.22 3.01 0.12 4.30 0.04 -1.26 -4.66 135.00 137.77 1hea s PRO 215 Ca 0.33 0.55 0.04 0.00 0.04 0.00 0.00 61.00 61.96 1hea s PRO 215 Cb -0.17 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1hea s PRO 215 CO 0.14 -0.94 0.13 0.96 0.04 0.00 0.00 177.00 177.33 1hea s ILE 216 N -3.30 4.64 0.03 0.56 -4.36 0.17 -4.90 121.20 114.03 1hea s ILE 216 Ca 0.57 -0.87 0.00 0.00 -0.26 0.00 0.00 60.65 60.10 1hea s ILE 216 Cb -0.11 -3.31 -0.04 0.00 1.25 0.00 0.00 42.46 40.25 1hea s ILE 216 CO 0.52 0.00 0.10 -0.94 0.24 0.00 0.00 174.94 174.87 1hea s SER 217 N -2.78 5.75 0.09 4.36 1.04 -1.26 -0.46 113.70 120.43 1hea s SER 217 Ca 0.31 0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.89 1hea s SER 217 Cb -0.11 -1.65 -0.04 0.00 0.10 0.00 0.00 66.02 64.32 1hea s SER 217 CO 0.24 0.23 -0.07 0.68 0.98 0.00 0.00 173.24 175.29 1hea s VAL 218 N -1.29 0.70 0.50 5.02 -7.23 -0.18 -3.89 120.40 114.04 1hea s VAL 218 Ca 0.26 -1.68 -0.05 0.00 -1.81 0.00 0.00 61.98 58.70 1hea s VAL 218 Cb -0.12 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.42 1hea s VAL 218 CO 0.18 -0.70 0.79 -0.94 -0.31 0.00 0.00 175.10 174.12 1hea s SER 219 N -2.60 6.05 0.26 4.85 1.04 -1.21 0.28 113.70 122.37 1hea s SER 219 Ca 0.06 0.79 -0.02 0.00 0.48 0.00 0.00 55.95 57.26 1hea s SER 219 Cb 0.00 -2.03 0.46 0.00 0.10 0.00 0.00 66.02 64.56 1hea s SER 219 CO -0.03 -0.70 1.82 -1.28 0.98 0.00 0.00 173.24 174.03 1hea h SER 220 N 0.16 0.77 0.66 7.02 0.87 -1.94 -1.17 113.55 119.92 1hea h SER 220 Ca -0.47 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.08 1hea h SER 220 Cb 1.22 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1hea h SER 220 CO 0.61 0.43 -0.29 1.05 -0.53 0.00 0.00 176.83 178.09 1hea h GLU 221 N 0.87 0.00 0.00 2.24 9.09 -1.95 -1.14 114.58 123.69 1hea h GLU 221 Ca 0.44 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.85 1hea h GLU 221 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 1hea h GLU 221 CO -0.26 0.29 -0.00 1.96 0.05 0.00 0.00 179.01 181.06 1hea h GLN 222 N 0.00 -0.00 -0.71 1.06 4.20 -1.62 -2.93 115.11 115.12 1hea h GLN 222 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1hea h GLN 222 Cb 0.70 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 1hea h GLN 222 CO 0.04 0.40 0.29 -0.24 -0.67 0.00 0.00 178.83 178.65 1hea h VAL 223 N -0.40 1.24 -0.86 -0.54 3.04 -1.30 -2.75 116.25 114.68 1hea h VAL 223 Ca -0.00 -0.75 0.20 0.00 -1.01 0.00 0.00 66.70 65.15 1hea h VAL 223 Cb 0.40 0.39 -0.12 0.00 -2.01 0.00 0.00 31.29 29.95 1hea h VAL 223 CO 0.00 0.30 0.34 -0.07 -1.01 0.00 0.00 177.57 177.13 1hea h LEU 224 N 1.03 0.24 -1.18 3.16 3.38 -1.11 -1.04 115.31 119.78 1hea h LEU 224 Ca 0.24 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.31 1hea h LEU 224 Cb 0.19 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1hea h LEU 224 CO -0.02 -0.01 0.04 0.11 0.09 0.00 0.00 178.44 178.65 1hea h LYS 225 N 0.37 0.61 -0.83 1.13 1.57 -1.30 -2.61 116.57 115.50 1hea h LYS 225 Ca 0.52 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 59.20 1hea h LYS 225 Cb 0.97 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.15 1hea h LYS 225 CO -0.53 0.60 0.55 0.74 -0.57 0.00 0.00 179.45 180.24 1hea h PHE 226 N 0.59 1.03 0.00 -1.35 -1.00 -1.22 -2.31 116.94 112.67 1hea h PHE 226 Ca 0.13 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.93 1hea h PHE 226 Cb 0.31 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.52 1hea h PHE 226 CO 0.01 0.63 0.00 0.54 -1.61 0.00 0.00 178.31 177.89 1hea n ARG 227 N -4.42 0.73 0.00 1.51 1.74 -0.98 -2.97 116.66 112.27 1hea n ARG 227 Ca 0.10 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.29 1hea n ARG 227 Cb 0.05 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.01 1hea n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1hea n LYS 228 N -1.01 1.08 -1.56 5.56 5.02 -0.87 -4.54 118.16 121.84 1hea n LYS 228 Ca 0.18 -0.88 -0.31 0.00 -2.02 0.00 0.00 58.31 55.28 1hea n LYS 228 Cb 0.08 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.67 1hea n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hea s LEU 229 N -2.53 3.00 0.01 -0.35 1.02 -1.16 -4.91 118.68 113.78 1hea s LEU 229 Ca 0.18 1.54 0.08 0.00 0.02 0.00 0.00 54.13 55.95 1hea s LEU 229 Cb 0.18 -4.36 -0.02 0.00 0.02 0.00 0.00 46.19 42.01 1hea s LEU 229 CO 0.59 -1.57 -0.24 0.20 0.02 0.00 0.00 176.35 175.35 1hea s ASN 230 N -3.82 2.83 0.18 2.29 0.02 -0.04 -0.64 114.94 115.76 1hea s ASN 230 Ca 0.59 -0.50 -0.01 0.00 -1.02 0.00 0.00 52.86 51.92 1hea s ASN 230 Cb -0.14 -0.28 0.08 0.00 0.02 0.00 0.00 41.25 40.93 1hea s ASN 230 CO 0.55 0.25 1.45 -0.26 0.02 0.00 0.00 177.10 179.11 1hea h PHE 231 N 5.18 0.56 -4.35 2.20 0.04 -1.48 -3.35 116.94 115.74 1hea h PHE 231 Ca -0.43 -0.24 -0.51 0.00 2.80 0.00 0.00 57.97 59.59 1hea h PHE 231 Cb 1.14 -0.09 0.08 0.00 2.20 0.00 0.00 35.95 39.28 1hea h PHE 231 CO 0.44 0.98 0.39 0.54 -0.60 0.00 0.00 178.31 180.06 1hea s ASN 232 N -6.96 5.59 0.61 2.17 4.22 -1.26 -4.32 114.94 114.98 1hea s ASN 232 Ca -0.06 1.51 -0.09 0.00 -2.14 0.00 0.00 52.86 52.08 1hea s ASN 232 Cb 0.11 -2.43 -0.02 0.00 1.28 0.00 0.00 41.25 40.19 1hea s ASN 232 CO 0.84 -1.30 0.98 -0.83 -2.04 0.00 0.00 177.10 174.75 1hea s GLY 233 N -3.95 1.61 0.42 0.45 0.00 -1.26 -0.74 107.32 103.85 1hea s GLY 233 Ca 0.57 -0.30 -0.26 0.00 0.00 0.00 0.00 44.72 44.73 1hea s GLY 233 CO 0.54 -0.02 1.43 1.85 0.00 0.00 0.00 173.10 176.90 1hea s GLU 234 N -5.12 3.87 0.00 2.90 2.12 -1.26 -2.02 118.70 119.19 1hea s GLU 234 Ca 0.54 2.43 0.00 0.00 0.36 0.00 0.00 54.97 58.30 1hea s GLU 234 Cb -0.11 -2.78 0.00 0.00 0.26 0.00 0.00 34.13 31.50 1hea s GLU 234 CO 0.51 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1hea n GLY 235 N 0.56 0.82 3.85 -1.50 0.00 -1.26 -5.05 105.19 102.61 1hea n GLY 235 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1hea n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hea s GLU 236 N -0.36 2.78 0.24 1.61 2.02 -0.86 -5.06 118.70 119.08 1hea s GLU 236 Ca 0.00 -1.23 -0.31 0.00 0.02 0.00 0.00 54.97 53.44 1hea s GLU 236 Cb 0.00 -2.51 -0.13 0.00 0.10 0.00 0.00 34.13 31.59 1hea s GLU 236 CO 0.00 0.16 1.48 -2.30 0.02 0.00 0.00 175.26 174.62 1hea n PRO 237 N -1.34 2.22 -2.27 0.39 -0.02 -1.26 -4.91 135.00 127.81 1hea n PRO 237 Ca -0.03 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 1hea n PRO 237 Cb 0.59 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 1hea n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1hea s GLU 238 N -0.24 4.36 -0.24 -0.52 2.12 -1.26 -4.82 118.70 118.10 1hea s GLU 238 Ca 0.69 1.96 0.00 0.00 0.36 0.00 0.00 54.97 57.98 1hea s GLU 238 Cb -0.61 -3.29 0.07 0.00 0.26 0.00 0.00 34.13 30.56 1hea s GLU 238 CO 0.48 -0.37 -0.02 -2.00 -0.54 0.00 0.00 175.26 172.80 1hea s GLU 239 N 1.08 1.44 0.24 4.30 2.12 -1.26 -5.07 118.70 121.55 1hea s GLU 239 Ca 0.62 -1.00 -0.30 0.00 0.36 0.00 0.00 54.97 54.65 1hea s GLU 239 Cb -0.34 -2.53 -0.09 0.00 0.26 0.00 0.00 34.13 31.42 1hea s GLU 239 CO 0.30 -0.66 1.36 -0.51 -0.54 0.00 0.00 175.26 175.21 1hea s LEU 240 N 1.43 4.41 -1.07 2.70 1.43 -1.26 -1.35 118.68 124.96 1hea s LEU 240 Ca -0.03 2.55 -0.22 0.00 -1.03 0.00 0.00 54.13 55.40 1hea s LEU 240 Cb -0.19 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.46 1hea s LEU 240 CO -0.08 -0.60 1.52 -0.32 0.23 0.00 0.00 176.35 177.11 1hea s MET 241 N -0.44 3.63 0.05 1.70 -2.45 0.19 -4.65 119.30 117.33 1hea s MET 241 Ca 0.57 -1.27 0.01 0.00 -1.25 0.00 0.00 55.69 53.75 1hea s MET 241 Cb -0.39 -5.39 -0.03 0.00 1.25 0.00 0.00 34.83 30.27 1hea s MET 241 CO 0.42 -2.26 -0.06 0.14 1.05 0.00 0.00 175.02 174.31 1hea s VAL 242 N 5.01 0.46 -1.35 10.11 -7.23 -1.26 -4.47 120.40 121.67 1hea s VAL 242 Ca 0.48 -1.39 -0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1hea s VAL 242 Cb 0.01 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 35.97 1hea s VAL 242 CO -0.06 -0.63 0.58 0.47 -0.31 0.00 0.00 175.10 175.15 1hea n ASP 243 N 0.88 -0.77 -2.75 4.85 8.00 -0.83 -4.88 116.55 121.04 1hea n ASP 243 Ca -0.19 -0.90 -0.33 0.00 0.71 0.00 0.00 54.79 54.08 1hea n ASP 243 Cb 0.57 -3.62 -0.01 0.00 -0.02 0.00 0.00 41.12 38.04 1hea n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1hea n ASN 244 N -3.03 7.01 -4.30 -2.24 6.94 -1.16 -4.91 115.26 113.58 1hea n ASN 244 Ca -0.31 -3.49 -0.27 0.00 -0.02 0.00 0.00 54.58 50.49 1hea n ASN 244 Cb 0.68 -1.17 -0.14 0.00 -2.36 0.00 0.00 39.78 36.80 1hea n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1hea s TRP 245 N -2.79 2.03 -0.07 -2.53 1.48 -1.26 -4.66 118.94 111.13 1hea s TRP 245 Ca 0.55 -0.39 -0.09 0.00 -1.06 0.00 0.00 56.10 55.11 1hea s TRP 245 Cb 0.39 -1.20 -0.05 0.00 -1.16 0.00 0.00 33.47 31.46 1hea s TRP 245 CO -0.30 0.14 0.23 0.50 -4.06 0.00 0.00 176.95 173.46 1hea s ARG 246 N -1.34 3.60 0.65 3.25 3.52 -1.26 -4.98 118.95 122.38 1hea s ARG 246 Ca 0.09 0.04 -0.17 0.00 -0.13 0.00 0.00 55.73 55.56 1hea s ARG 246 Cb -0.09 -3.19 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 1hea s ARG 246 CO 0.02 0.75 1.24 -2.14 -0.81 0.00 0.00 175.30 174.36 1hea s PRO 247 N -1.09 2.58 0.33 5.12 0.02 -1.26 -4.69 135.00 136.01 1hea s PRO 247 Ca 0.18 1.90 -0.28 0.00 0.02 0.00 0.00 61.00 62.83 1hea s PRO 247 Cb -0.14 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.39 1hea s PRO 247 CO 0.08 -1.53 1.19 0.00 -0.33 0.00 0.00 177.00 176.40 1hea n ALA 248 N -2.02 0.75 -2.56 -1.55 0.00 -1.26 -4.42 120.51 109.45 1hea n ALA 248 Ca 0.14 0.37 -0.24 0.00 0.00 0.00 0.00 53.44 53.71 1hea n ALA 248 Cb 0.49 -2.17 -0.07 0.00 0.00 0.00 0.00 19.45 17.70 1hea n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1hea s GLN 249 N -1.78 2.25 0.23 0.00 -1.52 0.66 -4.95 119.66 114.55 1hea s GLN 249 Ca 0.57 -1.57 -0.31 0.00 -1.95 0.00 0.00 55.36 52.10 1hea s GLN 249 Cb -0.61 -2.09 -0.10 0.00 -0.22 0.00 0.00 33.01 29.98 1hea s GLN 249 CO 0.61 0.19 1.53 -2.14 -0.25 0.00 0.00 175.29 175.23 1hea s PRO 250 N -3.75 4.21 0.27 2.91 0.02 -1.26 -4.55 135.00 132.84 1hea s PRO 250 Ca 0.35 2.39 0.06 0.00 0.02 0.00 0.00 61.00 63.82 1hea s PRO 250 Cb -0.03 -3.10 0.36 0.00 0.02 0.00 0.00 34.50 31.74 1hea s PRO 250 CO 0.21 -0.54 1.63 1.25 -0.33 0.00 0.00 177.00 179.22 1hea h LEU 251 N 5.63 0.25 -2.04 -5.54 5.85 -1.95 -3.44 115.31 114.06 1hea h LEU 251 Ca -0.45 -0.12 -0.45 0.00 0.84 0.00 0.00 57.88 57.70 1hea h LEU 251 Cb 1.21 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 42.19 1hea h LEU 251 CO 0.83 0.72 -0.87 0.29 -0.34 0.00 0.00 178.44 179.07 1hea n LYS 252 N -3.95 -3.70 0.00 1.25 5.02 -1.26 -3.17 118.16 112.35 1hea n LYS 252 Ca -0.02 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1hea n LYS 252 Cb 0.55 -4.78 0.00 0.00 -0.02 0.00 0.00 35.03 30.77 1hea n LYS 252 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1hea n ASN 253 N -2.98 0.00 -4.15 4.39 2.04 -1.26 -5.02 115.26 108.28 1hea n ASN 253 Ca -0.27 0.00 -0.36 0.00 -0.44 0.00 0.00 54.58 53.51 1hea n ASN 253 Cb 0.67 0.00 0.05 0.00 -2.53 0.00 0.00 39.78 37.97 1hea n ASN 253 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1hea n ARG 254 N 0.00 -0.03 -5.16 -3.83 1.74 -1.19 -4.97 116.66 103.21 1hea n ARG 254 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.78 1hea n ARG 254 Cb 0.00 -1.23 -0.17 0.00 -1.02 0.00 0.00 32.46 30.04 1hea n ARG 254 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1hea s GLN 255 N -2.25 2.64 -0.26 5.56 0.74 -1.26 -5.03 119.66 119.80 1hea s GLN 255 Ca 0.48 -0.83 -0.12 0.00 0.05 0.00 0.00 55.36 54.93 1hea s GLN 255 Cb -0.24 -2.11 -0.05 0.00 1.10 0.00 0.00 33.01 31.71 1hea s GLN 255 CO 0.76 0.26 0.24 0.42 -0.55 0.00 0.00 175.29 176.41 1hea s ILE 256 N 0.13 5.28 0.11 -2.34 1.01 -1.26 -4.64 121.20 119.49 1hea s ILE 256 Ca -0.11 0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1hea s ILE 256 Cb -0.16 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1hea s ILE 256 CO 0.06 0.26 0.18 -0.54 0.00 0.00 0.00 174.94 174.89 1hea s LYS 257 N 1.59 3.18 0.11 2.79 1.02 -0.65 -0.98 119.74 126.80 1hea s LYS 257 Ca 0.10 -0.63 0.10 0.00 0.02 0.00 0.00 55.97 55.55 1hea s LYS 257 Cb -0.15 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1hea s LYS 257 CO 0.09 0.55 -0.22 0.00 -0.92 0.00 0.00 175.35 174.84 1hea s ALA 258 N -1.58 2.51 -2.34 5.17 0.00 0.76 -0.94 121.76 125.33 1hea s ALA 258 Ca 0.33 -1.38 0.23 0.00 0.00 0.00 0.00 51.96 51.13 1hea s ALA 258 Cb -0.12 -0.53 0.80 0.00 0.00 0.00 0.00 23.12 23.27 1hea s ALA 258 CO 0.26 0.56 1.59 -1.13 0.00 0.00 0.00 175.76 177.04 1hea n SER 259 N 1.01 1.70 0.00 0.00 3.41 0.28 -1.74 113.62 118.27 1hea n SER 259 Ca -0.17 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 1hea n SER 259 Cb 0.53 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1hea n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10