#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ha1 s PRO 5 N 0.00 3.94 -0.02 0.00 0.04 -1.26 -4.83 135.00 132.88 3ha1 s PRO 5 Ca 0.00 0.55 -0.10 0.00 0.04 0.00 0.00 61.00 61.49 3ha1 s PRO 5 Cb 0.00 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 32.05 3ha1 s PRO 5 CO 0.00 0.21 0.21 -0.59 0.04 0.00 0.00 177.00 176.87 3ha1 s PHE 6 N -1.93 -0.08 -0.11 0.56 -0.71 -1.26 -4.80 117.98 109.65 3ha1 s PHE 6 Ca 0.52 0.13 0.16 0.00 -1.04 0.00 0.00 56.93 56.70 3ha1 s PHE 6 Cb -0.11 0.02 0.25 0.00 -1.21 0.00 0.00 43.02 41.97 3ha1 s PHE 6 CO 0.19 -0.29 1.12 0.66 -1.34 0.00 0.00 175.22 175.56 3ha1 n TYR 7 N 1.67 0.00 -4.26 3.49 4.01 -1.26 -4.93 117.16 115.88 3ha1 n TYR 7 Ca -0.21 -0.89 -0.17 0.00 -0.16 0.00 0.00 57.90 56.48 3ha1 n TYR 7 Cb 0.56 -0.13 -0.14 0.00 -0.31 0.00 0.00 39.34 39.32 3ha1 n TYR 7 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3ha1 s ARG 8 N -2.52 0.65 -1.35 -0.72 3.52 -1.26 -5.05 118.95 112.22 3ha1 s ARG 8 Ca 0.27 -0.44 -0.06 0.00 -0.13 0.00 0.00 55.73 55.36 3ha1 s ARG 8 Cb 0.24 -0.60 0.06 0.00 -1.56 0.00 0.00 34.95 33.09 3ha1 s ARG 8 CO 0.03 0.15 2.56 -0.25 -0.81 0.00 0.00 175.30 176.98 3ha1 n ASP 9 N 2.46 8.14 -3.92 -2.12 8.00 -1.26 -4.79 116.55 123.06 3ha1 n ASP 9 Ca -0.16 -3.00 -0.20 0.00 0.71 0.00 0.00 54.79 52.14 3ha1 n ASP 9 Cb 0.56 -1.40 -0.16 0.00 -0.02 0.00 0.00 41.12 40.10 3ha1 n ASP 9 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ha1 s THR 10 N -0.37 0.60 0.09 -3.53 2.01 -1.26 -2.82 115.64 110.36 3ha1 s THR 10 Ca 0.58 -0.19 -0.20 0.00 0.31 0.00 0.00 61.69 62.19 3ha1 s THR 10 Cb 0.19 -0.59 0.05 0.00 0.01 0.00 0.00 72.50 72.16 3ha1 s THR 10 CO -0.09 0.23 0.49 -1.66 -0.69 0.00 0.00 174.62 172.89 3ha1 s TRP 11 N 0.70 -0.36 -0.09 4.92 -2.14 -0.33 -4.34 118.94 117.29 3ha1 s TRP 11 Ca -0.10 0.23 -0.17 0.00 2.66 0.00 0.00 56.10 58.72 3ha1 s TRP 11 Cb -0.13 0.34 -0.05 0.00 -3.10 0.00 0.00 33.47 30.54 3ha1 s TRP 11 CO 0.01 -0.69 0.45 0.08 -2.66 0.00 0.00 176.95 174.13 3ha1 s VAL 12 N -3.14 5.15 -0.27 -0.66 1.01 0.31 -1.54 120.40 121.26 3ha1 s VAL 12 Ca -0.01 0.91 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 3ha1 s VAL 12 Cb 0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3ha1 s VAL 12 CO -0.07 0.39 0.21 -1.61 0.00 0.00 0.00 175.10 174.01 3ha1 s GLU 13 N 0.21 3.98 -0.32 2.72 2.02 -0.11 0.52 118.70 127.72 3ha1 s GLU 13 Ca 0.25 -0.27 -0.08 0.00 0.02 0.00 0.00 54.97 54.89 3ha1 s GLU 13 Cb -0.15 -3.64 0.01 0.00 0.10 0.00 0.00 34.13 30.45 3ha1 s GLU 13 CO 0.11 -0.14 0.13 0.08 0.02 0.00 0.00 175.26 175.45 3ha1 s VAL 14 N 1.65 4.27 -0.64 2.63 1.01 0.10 -1.16 120.40 128.26 3ha1 s VAL 14 Ca 0.08 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 3ha1 s VAL 14 Cb -0.15 -3.25 0.06 0.00 0.00 0.00 0.00 36.38 33.04 3ha1 s VAL 14 CO 0.10 -0.01 0.96 -0.62 0.00 0.00 0.00 175.10 175.53 3ha1 s ASP 15 N 1.54 6.20 0.55 3.32 2.15 0.12 -0.57 116.67 129.97 3ha1 s ASP 15 Ca 0.03 -0.88 0.22 0.00 0.43 0.00 0.00 52.55 52.34 3ha1 s ASP 15 Cb -0.18 -2.42 1.50 0.00 -0.30 0.00 0.00 42.92 41.52 3ha1 s ASP 15 CO 0.04 -1.41 2.19 -0.07 -0.17 0.00 0.00 175.17 175.76 3ha1 h LEU 16 N 11.30 0.00 -0.52 -1.34 3.38 -1.08 -2.25 115.31 124.80 3ha1 h LEU 16 Ca -0.28 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.71 3ha1 h LEU 16 Cb 1.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3ha1 h LEU 16 CO 1.17 0.01 0.31 0.44 0.09 0.00 0.00 178.44 180.45 3ha1 h ASP 17 N 0.00 0.50 -0.58 -0.43 3.32 -1.90 -1.47 116.42 115.85 3ha1 h ASP 17 Ca -0.00 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ha1 h ASP 17 Cb 0.01 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3ha1 h ASP 17 CO 0.00 0.35 0.34 0.00 -1.72 0.00 0.00 179.24 178.22 3ha1 h ALA 18 N 1.23 0.74 0.13 3.45 0.00 -1.72 0.22 119.26 123.31 3ha1 h ALA 18 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ha1 h ALA 18 Cb 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3ha1 h ALA 18 CO -0.10 0.22 -0.06 0.82 0.00 0.00 0.00 179.25 180.13 3ha1 h ILE 19 N 0.78 0.96 -0.70 0.00 2.04 -1.47 0.14 117.51 119.26 3ha1 h ILE 19 Ca 0.21 -0.39 0.12 0.00 1.00 0.00 0.00 64.86 65.80 3ha1 h ILE 19 Cb -0.01 1.20 -0.08 0.00 -0.74 0.00 0.00 36.82 37.19 3ha1 h ILE 19 CO -0.04 0.09 0.28 0.22 0.00 0.00 0.00 178.15 178.70 3ha1 h TYR 20 N -0.36 0.48 -0.38 1.37 5.03 -1.09 -1.56 116.97 120.45 3ha1 h TYR 20 Ca -0.02 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.27 3ha1 h TYR 20 Cb 0.29 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.45 3ha1 h TYR 20 CO -0.01 0.09 0.04 -0.91 -1.32 0.00 0.00 178.16 176.05 3ha1 h ASN 21 N 0.45 0.63 -0.75 -2.11 2.35 -0.34 0.59 115.58 116.40 3ha1 h ASN 21 Ca 0.37 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3ha1 h ASN 21 Cb 0.50 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.67 3ha1 h ASN 21 CO -0.35 0.75 0.43 0.78 -1.65 0.00 0.00 177.43 177.39 3ha1 h ASN 22 N 0.48 0.92 -0.32 5.81 2.35 -0.45 -1.49 115.58 122.89 3ha1 h ASN 22 Ca 0.11 -0.08 -0.15 0.00 -0.55 0.00 0.00 56.30 55.63 3ha1 h ASN 22 Cb 0.41 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 3ha1 h ASN 22 CO 0.01 0.73 -0.40 0.58 -1.65 0.00 0.00 177.43 176.71 3ha1 h VAL 23 N 1.03 1.28 -0.55 2.81 2.07 -1.14 -0.86 116.25 120.90 3ha1 h VAL 23 Ca 0.27 -1.58 0.03 0.00 0.82 0.00 0.00 66.70 66.24 3ha1 h VAL 23 Cb 0.00 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3ha1 h VAL 23 CO -0.05 0.52 0.32 0.74 0.02 0.00 0.00 177.57 179.12 3ha1 h THR 24 N 0.61 1.03 -0.47 2.57 2.02 -0.76 -0.48 112.91 117.42 3ha1 h THR 24 Ca 0.04 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 3ha1 h THR 24 Cb 0.99 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3ha1 h THR 24 CO 0.10 0.11 -0.08 0.45 0.37 0.00 0.00 175.52 176.47 3ha1 h HIS 25 N 0.62 0.99 -0.49 3.16 -0.00 -0.98 -0.83 115.15 117.62 3ha1 h HIS 25 Ca 0.23 -0.20 0.01 0.00 -0.00 0.00 0.00 60.37 60.40 3ha1 h HIS 25 Cb 0.06 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.20 3ha1 h HIS 25 CO -0.07 0.96 0.32 0.82 -0.00 0.00 0.00 177.93 179.96 3ha1 h ILE 26 N 0.73 1.12 -0.92 2.45 2.04 -0.79 -0.95 117.51 121.19 3ha1 h ILE 26 Ca 0.12 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3ha1 h ILE 26 Cb 0.62 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 3ha1 h ILE 26 CO 0.04 0.12 0.55 0.11 0.00 0.00 0.00 178.15 178.97 3ha1 h LYS 27 N 0.66 1.25 0.00 2.37 1.57 -0.72 -0.65 116.57 121.05 3ha1 h LYS 27 Ca 0.18 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3ha1 h LYS 27 Cb -0.07 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 31.96 3ha1 h LYS 27 CO -0.04 0.88 -0.51 0.93 -0.57 0.00 0.00 179.45 180.14 3ha1 h GLU 28 N 1.27 0.00 -0.07 3.15 5.08 -0.97 -3.32 114.58 119.72 3ha1 h GLU 28 Ca 0.33 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.52 3ha1 h GLU 28 Cb -0.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.22 3ha1 h GLU 28 CO -0.06 0.51 -0.62 0.35 -1.00 0.00 0.00 179.01 178.19 3ha1 h PHE 29 N 0.00 0.76 -4.52 4.33 3.57 0.26 -3.46 116.94 117.88 3ha1 h PHE 29 Ca -0.01 -0.36 -0.48 0.00 3.53 0.00 0.00 57.97 60.65 3ha1 h PHE 29 Cb 0.93 -0.11 0.09 0.00 2.79 0.00 0.00 35.95 39.65 3ha1 h PHE 29 CO 0.00 1.16 0.41 0.96 -2.23 0.00 0.00 178.31 178.61 3ha1 s ILE 30 N -3.53 2.73 0.65 1.41 -4.36 -0.60 -5.04 121.20 112.47 3ha1 s ILE 30 Ca -0.12 0.22 -0.18 0.00 -0.26 0.00 0.00 60.65 60.31 3ha1 s ILE 30 Cb 0.05 -3.23 -0.01 0.00 1.25 0.00 0.00 42.46 40.52 3ha1 s ILE 30 CO 0.84 -0.31 1.29 -2.65 0.24 0.00 0.00 174.94 174.36 3ha1 n PRO 31 N -3.15 1.10 0.05 0.37 -0.02 -1.26 -4.91 135.00 127.17 3ha1 n PRO 31 Ca 0.07 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3ha1 n PRO 31 Cb 0.59 -2.53 0.48 0.00 -0.02 0.00 0.00 33.50 32.01 3ha1 n PRO 31 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3ha1 n SER 32 N -1.94 0.31 -1.62 2.55 3.41 -1.26 -2.02 113.62 113.05 3ha1 n SER 32 Ca 0.16 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.40 3ha1 n SER 32 Cb 0.48 -0.62 0.36 0.00 -0.26 0.00 0.00 64.21 64.17 3ha1 n SER 32 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ha1 n ASP 33 N -1.81 4.83 -4.50 4.04 5.68 -1.26 -4.90 116.55 118.63 3ha1 n ASP 33 Ca 0.05 -2.52 -0.35 0.00 -0.50 0.00 0.00 54.79 51.48 3ha1 n ASP 33 Cb 0.31 -0.60 -0.12 0.00 -1.14 0.00 0.00 41.12 39.58 3ha1 n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3ha1 s VAL 34 N -2.00 4.20 0.66 2.12 1.01 -0.86 -4.88 120.40 120.66 3ha1 s VAL 34 Ca 0.51 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 3ha1 s VAL 34 Cb 0.34 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.85 3ha1 s VAL 34 CO 0.23 0.44 1.00 -1.61 0.00 0.00 0.00 175.10 175.15 3ha1 s GLU 35 N 0.79 2.66 -0.10 2.72 2.02 -0.83 -4.91 118.70 121.05 3ha1 s GLU 35 Ca 0.01 0.06 0.03 0.00 0.02 0.00 0.00 54.97 55.09 3ha1 s GLU 35 Cb -0.14 -2.16 0.01 0.00 0.10 0.00 0.00 34.13 31.94 3ha1 s GLU 35 CO 0.02 -0.98 -0.19 0.42 0.02 0.00 0.00 175.26 174.55 3ha1 s ILE 36 N -3.19 1.70 -0.08 -1.63 1.01 -1.26 -1.62 121.20 116.13 3ha1 s ILE 36 Ca 0.57 -0.79 -0.24 0.00 0.00 0.00 0.00 60.65 60.18 3ha1 s ILE 36 Cb -0.11 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 3ha1 s ILE 36 CO 0.47 0.48 0.75 -0.36 0.00 0.00 0.00 174.94 176.28 3ha1 s PHE 37 N 0.61 3.56 -0.24 3.97 0.08 -0.09 -1.87 117.98 123.99 3ha1 s PHE 37 Ca -0.14 1.29 -0.24 0.00 0.12 0.00 0.00 56.93 57.96 3ha1 s PHE 37 Cb -0.17 -2.87 -0.01 0.00 -0.57 0.00 0.00 43.02 39.41 3ha1 s PHE 37 CO 0.04 0.02 0.80 0.00 -0.10 0.00 0.00 175.22 175.99 3ha1 s ALA 38 N 1.04 3.64 -0.44 5.36 0.00 0.87 -1.42 121.76 130.82 3ha1 s ALA 38 Ca 0.39 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 3ha1 s ALA 38 Cb -0.18 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.72 3ha1 s ALA 38 CO 0.18 -0.91 0.56 0.08 0.00 0.00 0.00 175.76 175.67 3ha1 s VAL 39 N 2.79 4.94 -0.39 0.00 1.01 -0.27 -1.49 120.40 127.00 3ha1 s VAL 39 Ca 0.34 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 3ha1 s VAL 39 Cb -0.15 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.14 3ha1 s VAL 39 CO 0.07 -0.56 0.20 0.68 0.00 0.00 0.00 175.10 175.50 3ha1 s VAL 40 N 2.52 4.07 -1.72 2.92 -7.23 -0.27 -4.67 120.40 116.03 3ha1 s VAL 40 Ca 0.17 -1.29 -0.16 0.00 -1.81 0.00 0.00 61.98 58.89 3ha1 s VAL 40 Cb -0.16 -3.43 0.16 0.00 0.56 0.00 0.00 36.38 33.51 3ha1 s VAL 40 CO 0.16 -0.38 0.40 0.61 -0.31 0.00 0.00 175.10 175.57 3ha1 n GLY 42 N 4.87 -0.30 3.59 2.32 0.00 -1.26 0.78 105.19 115.20 3ha1 n GLY 42 Ca -0.11 0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 3ha1 n GLY 42 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ha1 n ASN 43 N -2.47 -2.28 -3.98 1.61 5.15 -1.26 -1.72 115.26 110.30 3ha1 n ASN 43 Ca -0.02 -0.71 -0.43 0.00 -0.60 0.00 0.00 54.58 52.82 3ha1 n ASN 43 Cb 0.51 -4.59 0.03 0.00 -0.53 0.00 0.00 39.78 35.20 3ha1 n ASN 43 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ha1 n ALA 44 N -4.31 -2.60 -4.20 5.20 0.00 0.23 -0.83 120.51 114.00 3ha1 n ALA 44 Ca -0.24 -0.51 -0.35 0.00 0.00 0.00 0.00 53.44 52.34 3ha1 n ALA 44 Cb 0.65 -2.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.10 3ha1 n ALA 44 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ha1 n TYR 45 N -4.85 -1.72 -0.33 0.00 4.02 -0.81 -0.29 117.16 113.18 3ha1 n TYR 45 Ca -0.11 0.79 0.00 0.00 -0.01 0.00 0.00 57.90 58.57 3ha1 n TYR 45 Cb 0.57 -3.02 0.00 0.00 -0.02 0.00 0.00 39.34 36.87 3ha1 n TYR 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ha1 n GLY 46 N -1.48 1.21 0.00 2.72 0.00 -0.34 -3.84 105.19 103.46 3ha1 n GLY 46 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 3ha1 n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ha1 n HIS 47 N -2.00 0.00 -0.08 1.61 8.25 0.60 -4.94 115.22 118.66 3ha1 n HIS 47 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ha1 n HIS 47 Cb 0.00 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.00 3ha1 n HIS 47 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ha1 n ASP 48 N -1.50 -0.47 -0.26 0.41 9.92 -0.01 -4.76 116.55 119.88 3ha1 n ASP 48 Ca 0.05 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.24 3ha1 n ASP 48 Cb 0.33 -0.09 -0.01 0.00 -0.64 0.00 0.00 41.12 40.71 3ha1 n ASP 48 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 3ha1 h TYR 49 N 0.00 -1.20 0.01 1.24 0.05 -1.87 -3.08 116.97 112.11 3ha1 h TYR 49 Ca 0.00 0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 3ha1 h TYR 49 Cb 0.00 0.62 0.00 0.00 1.01 0.00 0.00 36.73 38.36 3ha1 h TYR 49 CO 0.00 -0.41 -0.00 0.28 -1.05 0.00 0.00 178.16 176.98 3ha1 h VAL 50 N -0.15 1.32 0.00 -2.88 2.07 -1.95 -2.48 116.25 112.18 3ha1 h VAL 50 Ca 0.23 -1.95 -0.04 0.00 0.82 0.00 0.00 66.70 65.75 3ha1 h VAL 50 Cb 0.56 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 3ha1 h VAL 50 CO -0.77 0.44 -0.21 -0.65 0.02 0.00 0.00 177.57 176.40 3ha1 h PRO 51 N -0.99 0.00 -0.10 1.57 0.11 -1.91 -1.01 132.00 129.68 3ha1 h PRO 51 Ca -0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3ha1 h PRO 51 Cb 0.73 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 3ha1 h PRO 51 CO 0.00 0.21 -0.10 0.28 -0.21 0.00 0.00 178.00 178.18 3ha1 h VAL 52 N 0.00 1.36 -0.29 3.15 2.07 -1.60 -1.98 116.25 118.97 3ha1 h VAL 52 Ca -0.00 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.32 3ha1 h VAL 52 Cb 0.45 1.99 -0.08 0.00 -1.52 0.00 0.00 31.29 32.13 3ha1 h VAL 52 CO 0.03 0.36 -0.25 0.00 0.02 0.00 0.00 177.57 177.72 3ha1 h ALA 53 N 0.57 -0.12 -0.08 1.67 0.00 -1.14 -0.73 119.26 119.44 3ha1 h ALA 53 Ca 0.01 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ha1 h ALA 53 Cb 0.62 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3ha1 h ALA 53 CO 0.02 -0.67 -0.05 0.87 0.00 0.00 0.00 179.25 179.43 3ha1 h LYS 54 N -0.24 -0.05 -0.24 0.00 1.57 -1.13 -1.60 116.57 114.88 3ha1 h LYS 54 Ca 0.15 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 3ha1 h LYS 54 Cb 0.47 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3ha1 h LYS 54 CO -0.43 -0.04 -0.34 0.82 -0.57 0.00 0.00 179.45 178.90 3ha1 h ILE 55 N -0.06 1.29 -0.55 1.86 1.08 -1.16 -1.52 117.51 118.45 3ha1 h ILE 55 Ca 0.05 -1.44 0.01 0.00 -0.39 0.00 0.00 64.86 63.09 3ha1 h ILE 55 Cb 0.13 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 3ha1 h ILE 55 CO -0.11 0.45 0.35 0.00 -0.69 0.00 0.00 178.15 178.16 3ha1 h ALA 56 N 1.21 0.70 -0.50 1.87 0.00 -0.92 0.25 119.26 121.86 3ha1 h ALA 56 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3ha1 h ALA 56 Cb 0.80 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3ha1 h ALA 56 CO 0.06 0.11 0.14 -0.07 0.00 0.00 0.00 179.25 179.49 3ha1 h LEU 57 N 0.72 0.75 -1.62 0.00 3.38 -1.16 -1.63 115.31 115.74 3ha1 h LEU 57 Ca 0.21 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3ha1 h LEU 57 Cb -0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3ha1 h LEU 57 CO -0.06 0.77 0.32 -0.33 0.09 0.00 0.00 178.44 179.23 3ha1 h GLU 58 N 0.68 0.47 -0.00 1.13 5.08 -1.02 -1.03 114.58 119.89 3ha1 h GLU 58 Ca 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3ha1 h GLU 58 Cb 0.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3ha1 h GLU 58 CO -0.00 0.31 -0.01 0.00 -1.00 0.00 0.00 179.01 178.31 3ha1 n ALA 59 N -2.49 2.52 0.00 3.43 0.00 0.05 -4.93 120.51 119.09 3ha1 n ALA 59 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3ha1 n ALA 59 Cb 0.20 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.16 3ha1 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ha1 n GLY 60 N 1.25 0.81 3.63 0.00 0.00 -0.39 -4.36 105.19 106.13 3ha1 n GLY 60 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3ha1 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ha1 n ALA 61 N -0.91 0.46 0.18 4.61 0.00 -0.66 -4.72 120.51 119.48 3ha1 n ALA 61 Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 53.44 53.60 3ha1 n ALA 61 Cb 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 3ha1 n ALA 61 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ha1 n THR 62 N -0.93 0.00 -3.89 0.00 -2.24 -0.78 -4.31 114.28 102.12 3ha1 n THR 62 Ca 0.10 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 3ha1 n THR 62 Cb 0.43 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.59 3ha1 n THR 62 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ha1 s ARG 63 N -1.30 0.91 0.11 -0.78 0.52 -1.12 -4.28 118.95 113.00 3ha1 s ARG 63 Ca 0.02 -1.02 0.05 0.00 -0.52 0.00 0.00 55.73 54.26 3ha1 s ARG 63 Cb 0.03 0.34 -0.04 0.00 0.52 0.00 0.00 34.95 35.81 3ha1 s ARG 63 CO 0.15 -0.30 -0.13 -0.51 0.02 0.00 0.00 175.30 174.53 3ha1 s LEU 64 N -2.89 2.39 -0.01 2.53 1.43 -0.55 -0.09 118.68 121.49 3ha1 s LEU 64 Ca 0.08 -0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 52.38 3ha1 s LEU 64 Cb 0.05 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 45.76 3ha1 s LEU 64 CO -0.08 -0.16 0.03 0.00 0.23 0.00 0.00 176.35 176.37 3ha1 s ALA 65 N -2.10 -0.05 0.22 4.21 0.00 -0.55 -1.12 121.76 122.36 3ha1 s ALA 65 Ca 0.07 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.14 3ha1 s ALA 65 Cb -0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 3ha1 s ALA 65 CO 0.02 -0.02 0.05 0.14 0.00 0.00 0.00 175.76 175.95 3ha1 s VAL 66 N 0.11 0.61 0.01 0.00 -7.23 -0.29 -1.11 120.40 112.50 3ha1 s VAL 66 Ca -0.01 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.01 3ha1 s VAL 66 Cb -0.01 -2.39 -0.34 0.00 0.56 0.00 0.00 36.38 34.20 3ha1 s VAL 66 CO -0.00 -0.23 0.93 0.00 -0.31 0.00 0.00 175.10 175.49 3ha1 h ALA 67 N 2.54 -0.11 -2.64 1.32 0.00 -1.92 0.10 119.26 118.55 3ha1 h ALA 67 Ca -0.37 -0.88 -0.09 0.00 0.00 0.00 0.00 54.91 53.56 3ha1 h ALA 67 Cb 1.23 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 3ha1 h ALA 67 CO 0.62 0.70 -0.29 -0.59 0.00 0.00 0.00 179.25 179.69 3ha1 s PHE 68 N -2.57 0.28 0.22 0.00 -0.71 -1.26 -1.98 117.98 111.96 3ha1 s PHE 68 Ca -0.11 -0.65 -0.07 0.00 -1.04 0.00 0.00 56.93 55.06 3ha1 s PHE 68 Cb 0.04 -0.01 0.34 0.00 -1.21 0.00 0.00 43.02 42.19 3ha1 s PHE 68 CO 0.92 -0.70 1.76 1.25 -1.34 0.00 0.00 175.22 177.10 3ha1 h LEU 69 N 2.55 0.35 -1.48 -1.99 5.85 -1.94 -1.98 115.31 116.67 3ha1 h LEU 69 Ca -0.32 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.56 3ha1 h LEU 69 Cb 1.23 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 3ha1 h LEU 69 CO 0.49 0.19 0.46 0.44 -0.34 0.00 0.00 178.44 179.67 3ha1 h ASP 70 N 0.50 0.54 -0.21 1.25 3.32 -1.99 0.19 116.42 120.02 3ha1 h ASP 70 Ca 0.35 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.32 3ha1 h ASP 70 Cb 0.43 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3ha1 h ASP 70 CO -0.31 0.33 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.03 3ha1 h GLU 71 N 0.60 0.64 -0.36 3.56 5.08 -1.79 -2.47 114.58 119.85 3ha1 h GLU 71 Ca 0.31 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3ha1 h GLU 71 Cb 0.43 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3ha1 h GLU 71 CO -0.10 0.78 -0.10 0.00 -1.00 0.00 0.00 179.01 178.58 3ha1 h ALA 72 N 1.24 1.16 0.00 3.43 0.00 -0.65 -3.00 119.26 121.43 3ha1 h ALA 72 Ca 0.09 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3ha1 h ALA 72 Cb 0.63 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ha1 h ALA 72 CO 0.04 0.54 -0.48 -0.07 0.00 0.00 0.00 179.25 179.28 3ha1 h LEU 73 N 0.56 0.00 -0.26 0.00 3.38 -0.92 -1.74 115.31 116.33 3ha1 h LEU 73 Ca 0.10 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3ha1 h LEU 73 Cb 0.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3ha1 h LEU 73 CO 0.03 0.48 0.10 0.58 0.09 0.00 0.00 178.44 179.72 3ha1 h VAL 74 N 0.00 0.94 -0.41 1.22 2.07 -1.33 -1.06 116.25 117.68 3ha1 h VAL 74 Ca -0.00 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3ha1 h VAL 74 Cb 1.07 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3ha1 h VAL 74 CO 0.06 0.04 0.14 -0.07 0.02 0.00 0.00 177.57 177.76 3ha1 h LEU 75 N 0.22 0.58 -0.78 2.57 3.38 -1.43 -2.13 115.31 117.72 3ha1 h LEU 75 Ca 0.11 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3ha1 h LEU 75 Cb 0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3ha1 h LEU 75 CO -0.11 0.62 0.35 0.03 0.09 0.00 0.00 178.44 179.42 3ha1 h ARG 76 N 0.51 1.14 0.00 1.13 2.47 -1.22 -1.15 114.38 117.27 3ha1 h ARG 76 Ca 0.13 -0.18 -0.05 0.00 -1.26 0.00 0.00 59.98 58.62 3ha1 h ARG 76 Cb 0.23 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 3ha1 h ARG 76 CO -0.01 0.90 -0.24 0.00 0.56 0.00 0.00 179.97 181.19 3ha1 h ARG 77 N 1.11 0.00 0.00 0.04 3.08 -1.08 -0.64 114.38 116.90 3ha1 h ARG 77 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3ha1 h ARG 77 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3ha1 h ARG 77 CO -0.03 0.24 0.00 0.00 -1.07 0.00 0.00 179.97 179.11 3ha1 n ALA 78 N -2.32 2.45 -0.70 0.04 0.00 -0.48 -4.85 120.51 114.66 3ha1 n ALA 78 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ha1 n ALA 78 Cb 0.35 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3ha1 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ha1 n GLY 79 N 0.56 0.64 3.72 0.00 0.00 -0.25 -5.03 105.19 104.84 3ha1 n GLY 79 Ca 0.11 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ha1 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ha1 s ILE 80 N -2.00 3.99 -0.26 -0.61 1.01 -0.96 -4.93 121.20 117.44 3ha1 s ILE 80 Ca 0.00 1.55 0.03 0.00 0.00 0.00 0.00 60.65 62.22 3ha1 s ILE 80 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.49 3ha1 s ILE 80 CO 0.00 0.18 0.41 0.35 0.00 0.00 0.00 174.94 175.88 3ha1 n THR 81 N 3.23 0.00 -1.40 2.92 -2.24 -1.26 -4.41 114.28 111.12 3ha1 n THR 81 Ca 0.06 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 61.01 3ha1 n THR 81 Cb 0.46 1.04 0.10 0.00 -2.10 0.00 0.00 70.33 69.83 3ha1 n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ha1 s ALA 82 N -0.61 2.08 0.43 6.98 0.00 -1.26 -4.96 121.76 124.42 3ha1 s ALA 82 Ca 0.02 1.01 -0.25 0.00 0.00 0.00 0.00 51.96 52.74 3ha1 s ALA 82 Cb 0.02 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 3ha1 s ALA 82 CO 0.06 -1.98 1.24 -2.30 0.00 0.00 0.00 175.76 172.78 3ha1 n PRO 83 N -2.67 1.83 -4.13 0.00 -0.02 -1.26 -4.84 135.00 123.90 3ha1 n PRO 83 Ca 0.15 0.65 -0.23 0.00 -2.02 0.00 0.00 63.50 62.05 3ha1 n PRO 83 Cb 0.49 -2.34 -0.17 0.00 -0.02 0.00 0.00 33.50 31.47 3ha1 n PRO 83 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ha1 s ILE 84 N -1.21 0.77 -0.15 4.25 1.01 -1.26 -1.48 121.20 123.12 3ha1 s ILE 84 Ca 0.62 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 61.01 3ha1 s ILE 84 Cb -0.51 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 3ha1 s ILE 84 CO 0.57 0.30 0.02 -0.22 0.00 0.00 0.00 174.94 175.61 3ha1 s LEU 85 N 1.23 3.62 -0.31 2.97 2.96 -0.28 -1.29 118.68 127.59 3ha1 s LEU 85 Ca -0.05 0.05 -0.27 0.00 -0.22 0.00 0.00 54.13 53.64 3ha1 s LEU 85 Cb -0.14 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.68 3ha1 s LEU 85 CO -0.02 0.22 0.96 -0.69 -1.32 0.00 0.00 176.35 175.50 3ha1 s VAL 86 N 0.06 4.63 -0.06 1.68 1.01 -0.20 -1.14 120.40 126.37 3ha1 s VAL 86 Ca 0.03 1.53 0.14 0.00 0.00 0.00 0.00 61.98 63.68 3ha1 s VAL 86 Cb -0.13 -4.31 -0.17 0.00 0.00 0.00 0.00 36.38 31.77 3ha1 s VAL 86 CO 0.02 -0.38 0.85 -0.07 0.00 0.00 0.00 175.10 175.52 3ha1 h LEU 87 N 9.81 0.00-10.66 3.92 3.38 -0.95 -2.26 115.31 118.56 3ha1 h LEU 87 Ca -0.22 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.29 3ha1 h LEU 87 Cb 1.07 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.93 3ha1 h LEU 87 CO 0.97 0.81 0.32 -0.83 0.09 0.00 0.00 178.44 179.80 3ha1 s GLY 88 N -4.90 1.69 0.37 0.83 0.00 -0.84 -4.86 107.32 99.61 3ha1 s GLY 88 Ca -0.03 -0.99 -0.25 0.00 0.00 0.00 0.00 44.72 43.46 3ha1 s GLY 88 CO 0.81 -0.45 1.03 2.56 0.00 0.00 0.00 173.10 177.05 3ha1 s PRO 89 N -5.49 4.30 0.06 2.90 0.04 -1.26 -4.53 135.00 131.02 3ha1 s PRO 89 Ca 0.65 1.50 0.06 0.00 0.04 0.00 0.00 61.00 63.24 3ha1 s PRO 89 Cb -0.09 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 3ha1 s PRO 89 CO 0.48 -0.02 -0.15 -1.12 0.04 0.00 0.00 177.00 176.23 3ha1 s SER 90 N -1.52 1.82 0.53 6.66 0.01 -1.26 -4.95 113.70 114.99 3ha1 s SER 90 Ca 0.55 -0.56 -0.19 0.00 1.31 0.00 0.00 55.95 57.06 3ha1 s SER 90 Cb -0.22 -0.09 -0.06 0.00 0.21 0.00 0.00 66.02 65.86 3ha1 s SER 90 CO 0.28 -0.01 1.08 -2.16 0.41 0.00 0.00 173.24 172.84 3ha1 s PRO 91 N -1.51 3.52 0.47 12.44 0.04 -1.26 -4.94 135.00 143.77 3ha1 s PRO 91 Ca 0.01 1.42 0.15 0.00 0.04 0.00 0.00 61.00 62.62 3ha1 s PRO 91 Cb -0.09 -2.05 1.14 0.00 0.04 0.00 0.00 34.50 33.54 3ha1 s PRO 91 CO 0.02 -0.68 2.05 -1.35 0.04 0.00 0.00 177.00 177.08 3ha1 h PRO 92 N 1.18 0.23 0.00 0.56 0.11 -1.96 -0.71 132.00 131.41 3ha1 h PRO 92 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ha1 h PRO 92 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ha1 h PRO 92 CO 0.58 0.16 0.05 2.89 -0.21 0.00 0.00 178.00 181.46 3ha1 n ARG 93 N -4.47 0.12 0.05 1.05 1.85 -1.26 -0.97 116.66 113.03 3ha1 n ARG 93 Ca 0.05 0.61 0.10 0.00 -1.00 0.00 0.00 57.85 57.61 3ha1 n ARG 93 Cb 0.28 -1.93 0.43 0.00 -1.05 0.00 0.00 32.46 30.18 3ha1 n ARG 93 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3ha1 n ASP 94 N -2.14 0.31 0.01 2.89 9.92 -0.27 -4.47 116.55 122.80 3ha1 n ASP 94 Ca -0.01 0.56 -0.14 0.00 -0.53 0.00 0.00 54.79 54.67 3ha1 n ASP 94 Cb 0.07 -0.63 -0.08 0.00 -0.64 0.00 0.00 41.12 39.84 3ha1 n ASP 94 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3ha1 h ILE 95 N 0.00 0.07 -0.22 0.53 5.03 -1.26 -1.26 117.51 120.40 3ha1 h ILE 95 Ca 0.00 0.00 -0.21 0.00 -0.12 0.00 0.00 64.86 64.53 3ha1 h ILE 95 Cb 0.38 0.07 0.01 0.00 -3.03 0.00 0.00 36.82 34.25 3ha1 h ILE 95 CO 0.00 0.00 -0.67 0.78 -0.68 0.00 0.00 178.15 177.58 3ha1 h ASN 96 N -0.57 0.95 -0.71 1.72 2.35 -1.85 -2.37 115.58 115.10 3ha1 h ASN 96 Ca 0.05 -0.57 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 3ha1 h ASN 96 Cb 0.67 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 3ha1 h ASN 96 CO -0.40 1.37 0.45 0.58 -1.65 0.00 0.00 177.43 177.78 3ha1 h VAL 97 N 0.60 1.19 -0.79 2.81 2.07 -1.81 0.15 116.25 120.47 3ha1 h VAL 97 Ca -0.02 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3ha1 h VAL 97 Cb 1.29 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3ha1 h VAL 97 CO 0.14 0.19 0.32 0.00 0.02 0.00 0.00 177.57 178.24 3ha1 h ALA 98 N 1.24 1.03 0.44 1.67 0.00 -1.18 -1.85 119.26 120.61 3ha1 h ALA 98 Ca 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ha1 h ALA 98 Cb -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3ha1 h ALA 98 CO -0.05 0.65 -0.22 0.00 0.00 0.00 0.00 179.25 179.62 3ha1 h ALA 99 N 1.17 -0.61 0.00 0.00 0.00 -1.08 0.14 119.26 118.88 3ha1 h ALA 99 Ca 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ha1 h ALA 99 Cb 0.22 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ha1 h ALA 99 CO -0.02 -0.84 -0.01 1.05 0.00 0.00 0.00 179.25 179.42 3ha1 h GLU 100 N -0.61 0.00 -0.46 0.00 9.09 -0.56 -1.82 114.58 120.23 3ha1 h GLU 100 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.35 3ha1 h GLU 100 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 3ha1 h GLU 100 CO 0.09 0.01 0.00 0.09 0.05 0.00 0.00 179.01 179.25 3ha1 n ASN 101 N -3.17 3.31 -3.65 3.06 3.02 -0.71 -4.98 115.26 112.14 3ha1 n ASN 101 Ca -0.02 -1.95 -0.25 0.00 -0.03 0.00 0.00 54.58 52.33 3ha1 n ASN 101 Cb 0.14 -0.30 0.07 0.00 -0.61 0.00 0.00 39.78 39.08 3ha1 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3ha1 n ASP 102 N 1.12 -6.16 -4.43 6.41 2.03 -0.68 -4.98 116.55 109.85 3ha1 n ASP 102 Ca 0.17 -0.58 -0.33 0.00 0.52 0.00 0.00 54.79 54.57 3ha1 n ASP 102 Cb 0.52 -4.85 -0.13 0.00 -0.72 0.00 0.00 41.12 35.93 3ha1 n ASP 102 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3ha1 s VAL 103 N -3.32 3.44 0.15 5.18 1.01 0.41 -4.47 120.40 122.80 3ha1 s VAL 103 Ca 0.60 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 3ha1 s VAL 103 Cb -0.27 -2.48 -0.08 0.00 0.00 0.00 0.00 36.38 33.55 3ha1 s VAL 103 CO 0.75 0.51 0.75 0.00 0.00 0.00 0.00 175.10 177.11 3ha1 s ALA 104 N 0.38 3.46 0.20 5.51 0.00 -0.41 -4.44 121.76 126.46 3ha1 s ALA 104 Ca -0.07 0.32 0.07 0.00 0.00 0.00 0.00 51.96 52.28 3ha1 s ALA 104 Cb -0.15 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3ha1 s ALA 104 CO 0.04 0.29 0.04 -0.51 0.00 0.00 0.00 175.76 175.62 3ha1 s LEU 105 N -1.08 3.41 -0.13 0.00 1.43 -0.85 -1.04 118.68 120.43 3ha1 s LEU 105 Ca 0.35 -0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 52.77 3ha1 s LEU 105 Cb -0.23 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 3ha1 s LEU 105 CO 0.25 0.06 1.08 -0.89 0.23 0.00 0.00 176.35 177.09 3ha1 s THR 106 N -1.87 4.59 -0.05 5.49 2.01 -0.85 -1.23 115.64 123.72 3ha1 s THR 106 Ca 0.29 1.89 0.01 0.00 0.31 0.00 0.00 61.69 64.18 3ha1 s THR 106 Cb -0.09 -4.21 0.02 0.00 0.01 0.00 0.00 72.50 68.23 3ha1 s THR 106 CO 0.20 -0.05 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.34 3ha1 s VAL 107 N 2.47 0.59 0.00 3.82 1.01 -0.55 -4.63 120.40 123.11 3ha1 s VAL 107 Ca 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3ha1 s VAL 107 Cb -0.19 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.57 3ha1 s VAL 107 CO 0.16 0.24 0.49 2.22 0.00 0.00 0.00 175.10 178.21 3ha1 n PHE 108 N 4.16 0.00 -4.29 5.22 -1.74 -1.26 -4.18 117.46 115.37 3ha1 n PHE 108 Ca -0.22 0.00 -0.22 0.00 -0.56 0.00 0.00 57.45 56.45 3ha1 n PHE 108 Cb 0.51 0.10 -0.16 0.00 1.52 0.00 0.00 39.48 41.44 3ha1 n PHE 108 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 3ha1 s GLN 109 N 0.00 1.12 0.23 3.97 -0.21 -1.26 -4.51 119.66 119.00 3ha1 s GLN 109 Ca 0.00 -0.21 -0.07 0.00 0.02 0.00 0.00 55.36 55.10 3ha1 s GLN 109 Cb 0.00 -1.03 0.40 0.00 1.00 0.00 0.00 33.01 33.38 3ha1 s GLN 109 CO 0.00 -0.05 1.68 -0.22 -2.12 0.00 0.00 175.29 174.58 3ha1 h LYS 110 N 7.13 0.21 -0.25 2.91 3.64 -1.89 -1.45 116.57 126.88 3ha1 h LYS 110 Ca -0.35 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.93 3ha1 h LYS 110 Cb 1.16 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 3ha1 h LYS 110 CO 0.47 0.14 -0.21 0.93 -2.27 0.00 0.00 179.45 178.51 3ha1 h GLU 111 N 0.22 0.45 -0.10 1.90 3.07 -1.97 -0.15 114.58 118.00 3ha1 h GLU 111 Ca 0.38 -0.16 0.01 0.00 -0.50 0.00 0.00 59.36 59.10 3ha1 h GLU 111 Cb 0.64 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 3ha1 h GLU 111 CO -0.52 0.65 0.00 2.35 -1.40 0.00 0.00 179.01 180.09 3ha1 h TRP 112 N 0.41 -0.00 -0.21 4.33 7.01 -1.70 -1.74 115.95 124.05 3ha1 h TRP 112 Ca 0.07 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.13 3ha1 h TRP 112 Cb 0.60 0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.62 3ha1 h TRP 112 CO 0.02 -0.01 -0.16 0.28 -2.79 0.00 0.00 178.44 175.78 3ha1 h VAL 113 N 0.04 0.55 -0.98 2.65 2.07 -0.76 0.25 116.25 120.07 3ha1 h VAL 113 Ca 0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.66 3ha1 h VAL 113 Cb 0.05 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 3ha1 h VAL 113 CO -0.07 0.00 0.62 0.44 0.02 0.00 0.00 177.57 178.57 3ha1 h ASP 114 N -0.16 0.93 -0.11 0.57 3.32 -0.86 -0.10 116.42 120.01 3ha1 h ASP 114 Ca 0.12 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 3ha1 h ASP 114 Cb 0.35 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3ha1 h ASP 114 CO -0.31 0.54 -0.37 -0.33 -1.72 0.00 0.00 179.24 177.05 3ha1 h GLU 115 N 1.03 0.44 -0.97 3.56 4.39 -0.98 -2.99 114.58 119.07 3ha1 h GLU 115 Ca 0.46 -0.33 0.13 0.00 0.34 0.00 0.00 59.36 59.96 3ha1 h GLU 115 Cb 0.35 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 28.97 3ha1 h GLU 115 CO -0.23 0.96 0.59 0.00 -1.16 0.00 0.00 179.01 179.17 3ha1 h ALA 116 N 0.49 1.48 0.11 3.43 0.00 0.12 -2.03 119.26 122.85 3ha1 h ALA 116 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ha1 h ALA 116 Cb 1.00 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3ha1 h ALA 116 CO 0.08 0.14 -0.52 0.82 0.00 0.00 0.00 179.25 179.77 3ha1 h ILE 117 N 0.90 0.02 -1.07 0.00 1.08 -0.94 -0.23 117.51 117.28 3ha1 h ILE 117 Ca 0.50 0.00 0.35 0.00 -0.39 0.00 0.00 64.86 65.32 3ha1 h ILE 117 Cb 0.56 0.02 -0.15 0.00 -3.07 0.00 0.00 36.82 34.19 3ha1 h ILE 117 CO -0.29 0.00 0.63 0.11 -0.69 0.00 0.00 178.15 177.90 3ha1 h LYS 118 N -0.74 0.23 -0.01 2.37 1.57 -1.27 -3.06 116.57 115.66 3ha1 h LYS 118 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3ha1 h LYS 118 Cb 0.75 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3ha1 h LYS 118 CO -0.29 0.15 -0.69 1.28 -0.57 0.00 0.00 179.45 179.33 3ha1 n LEU 119 N -4.98 1.30 -4.72 2.94 4.77 -0.40 -5.00 117.00 110.91 3ha1 n LEU 119 Ca 0.33 -0.61 -0.43 0.00 -0.03 0.00 0.00 56.01 55.28 3ha1 n LEU 119 Cb 1.11 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.19 3ha1 n LEU 119 CO 0.11 0.28 1.05 1.87 -1.33 0.00 0.00 177.39 179.37 3ha1 n TRP 120 N -0.86 2.51 1.09 -1.77 -0.00 -0.24 -4.85 117.44 113.33 3ha1 n TRP 120 Ca 0.05 0.44 0.09 0.00 -0.00 0.00 0.00 57.50 58.09 3ha1 n TRP 120 Cb 0.34 -2.49 0.53 0.00 -0.00 0.00 0.00 31.31 29.70 3ha1 n TRP 120 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 3ha1 n ASP 121 N 1.36 0.00 0.00 5.87 5.75 -1.26 -4.84 116.55 123.43 3ha1 n ASP 121 Ca 0.07 -0.40 0.00 0.00 -0.01 0.00 0.00 54.79 54.44 3ha1 n ASP 121 Cb 0.36 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3ha1 n ASP 121 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ha1 n GLY 122 N 0.21 0.66 0.02 6.12 0.00 -1.26 -4.59 105.19 106.35 3ha1 n GLY 122 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3ha1 n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ha1 n SER 123 N 0.00 1.98 -4.77 1.61 3.41 -1.26 -5.08 113.62 109.51 3ha1 n SER 123 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 3ha1 n SER 123 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3ha1 n SER 123 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3ha1 s SER 124 N -3.52 6.95 -0.18 4.04 0.01 -1.26 -5.06 113.70 114.68 3ha1 s SER 124 Ca 0.00 2.16 -0.03 0.00 1.31 0.00 0.00 55.95 59.39 3ha1 s SER 124 Cb 0.00 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 3ha1 s SER 124 CO 0.00 -0.36 -0.05 -0.89 0.41 0.00 0.00 173.24 172.35 3ha1 s THR 125 N -1.42 3.62 -0.13 1.44 2.01 -1.26 -4.85 115.64 115.04 3ha1 s THR 125 Ca 0.52 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 3ha1 s THR 125 Cb -0.27 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 3ha1 s THR 125 CO 0.34 0.47 -0.06 -0.32 -0.69 0.00 0.00 174.62 174.35 3ha1 s MET 126 N 0.77 3.42 0.25 4.92 1.75 0.60 -4.72 119.30 126.29 3ha1 s MET 126 Ca -0.02 -0.56 -0.20 0.00 -1.25 0.00 0.00 55.69 53.66 3ha1 s MET 126 Cb -0.15 -2.78 -0.09 0.00 2.84 0.00 0.00 34.83 34.65 3ha1 s MET 126 CO 0.02 0.33 0.76 -1.59 -0.65 0.00 0.00 175.02 173.88 3ha1 s LYS 127 N 0.11 4.26 0.06 4.11 -2.85 -1.26 -0.82 119.74 123.34 3ha1 s LYS 127 Ca -0.02 0.91 -0.08 0.00 -1.00 0.00 0.00 55.97 55.78 3ha1 s LYS 127 Cb -0.14 -2.80 -0.00 0.00 -2.06 0.00 0.00 37.83 32.83 3ha1 s LYS 127 CO 0.03 0.34 0.16 1.52 0.10 0.00 0.00 175.35 177.50 3ha1 s TYR 128 N -1.61 0.15 0.00 1.78 1.13 -0.67 -2.01 117.35 116.12 3ha1 s TYR 128 Ca 0.46 -0.49 0.06 0.00 -1.41 0.00 0.00 57.07 55.69 3ha1 s TYR 128 Cb -0.16 -0.09 -0.03 0.00 -1.10 0.00 0.00 41.96 40.58 3ha1 s TYR 128 CO 0.21 -0.46 -0.18 -1.01 -2.51 0.00 0.00 175.55 171.60 3ha1 s HIS 129 N -3.15 2.56 -0.11 -3.49 3.76 -0.37 -0.27 115.29 114.23 3ha1 s HIS 129 Ca -0.00 -0.26 -0.24 0.00 -0.15 0.00 0.00 55.06 54.40 3ha1 s HIS 129 Cb 0.02 -1.52 -0.03 0.00 1.11 0.00 0.00 32.58 32.16 3ha1 s HIS 129 CO -0.07 0.18 0.76 0.42 -0.85 0.00 0.00 174.74 175.18 3ha1 s ILE 130 N -0.81 4.97 -0.26 0.60 1.01 -0.40 -1.49 121.20 124.83 3ha1 s ILE 130 Ca 0.13 1.54 -0.14 0.00 0.00 0.00 0.00 60.65 62.18 3ha1 s ILE 130 Cb -0.10 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3ha1 s ILE 130 CO 0.03 0.15 0.33 0.21 0.00 0.00 0.00 174.94 175.66 3ha1 s ASN 131 N 0.97 6.22 -0.18 3.58 3.84 -1.26 -0.77 114.94 127.35 3ha1 s ASN 131 Ca 0.38 0.25 -0.10 0.00 0.21 0.00 0.00 52.86 53.60 3ha1 s ASN 131 Cb -0.17 -2.19 -0.05 0.00 -0.55 0.00 0.00 41.25 38.29 3ha1 s ASN 131 CO 0.16 -0.13 0.17 -0.36 -2.79 0.00 0.00 177.10 174.15 3ha1 s PHE 132 N 1.86 3.45 -0.51 0.43 0.08 -0.21 -1.05 117.98 122.03 3ha1 s PHE 132 Ca 0.14 0.41 -0.21 0.00 0.12 0.00 0.00 56.93 57.39 3ha1 s PHE 132 Cb -0.16 -2.17 0.05 0.00 -0.57 0.00 0.00 43.02 40.17 3ha1 s PHE 132 CO 0.09 0.34 0.75 0.34 -0.10 0.00 0.00 175.22 176.64 3ha1 s ASP 133 N 0.20 6.29 0.00 1.36 -1.08 0.17 -4.37 116.67 119.23 3ha1 s ASP 133 Ca 0.11 -0.59 0.21 0.00 -0.52 0.00 0.00 52.55 51.76 3ha1 s ASP 133 Cb -0.12 -2.35 0.56 0.00 -1.46 0.00 0.00 42.92 39.55 3ha1 s ASP 133 CO 0.00 -1.00 1.47 -1.54 0.52 0.00 0.00 175.17 174.62 3ha1 n SER 134 N 6.69 3.40 0.00 -0.34 3.41 -1.26 -4.47 113.62 121.05 3ha1 n SER 134 Ca -0.02 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 3ha1 n SER 134 Cb 0.47 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3ha1 n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ha1 n GLY 135 N 1.51 -0.68 0.16 5.00 0.00 -1.26 -4.29 105.19 105.63 3ha1 n GLY 135 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.25 3ha1 n GLY 135 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3ha1 h MET 136 N 0.00 0.00 -0.32 1.61 1.85 -1.89 -3.45 114.93 112.73 3ha1 h MET 136 Ca 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 59.70 58.95 3ha1 h MET 136 Cb 0.00 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 31.98 3ha1 h MET 136 CO 0.00 0.49 -0.12 0.41 -0.40 0.00 0.00 176.91 177.29 3ha1 n GLY 137 N 0.26 0.88 0.11 1.39 0.00 -1.26 -4.94 105.19 101.63 3ha1 n GLY 137 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3ha1 n GLY 137 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ha1 n ARG 138 N -2.46 0.00 -4.43 1.61 0.63 -1.26 -5.07 116.66 105.68 3ha1 n ARG 138 Ca -0.07 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.64 3ha1 n ARG 138 Cb 0.26 -0.21 -0.09 0.00 0.45 0.00 0.00 32.46 32.88 3ha1 n ARG 138 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 3ha1 s ILE 139 N -0.53 0.58 0.00 5.15 -4.36 -1.26 -5.14 121.20 115.64 3ha1 s ILE 139 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 3ha1 s ILE 139 Cb 0.00 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.22 3ha1 s ILE 139 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 3ha1 n GLY 140 N -0.74 2.88 3.72 6.27 0.00 -1.26 -4.11 105.19 111.94 3ha1 n GLY 140 Ca -0.02 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 3ha1 n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ha1 s ILE 141 N -2.93 3.75 -0.16 -0.61 1.01 -0.22 -4.15 121.20 117.89 3ha1 s ILE 141 Ca 0.00 1.31 0.05 0.00 0.00 0.00 0.00 60.65 62.01 3ha1 s ILE 141 Cb 0.00 -3.84 -0.13 0.00 0.01 0.00 0.00 42.46 38.50 3ha1 s ILE 141 CO 0.00 0.13 -0.08 0.54 0.00 0.00 0.00 174.94 175.53 3ha1 n ARG 142 N 3.54 0.91 -3.97 2.79 1.74 -1.26 -0.66 116.66 119.74 3ha1 n ARG 142 Ca 0.08 0.06 -0.22 0.00 -0.77 0.00 0.00 57.85 57.01 3ha1 n ARG 142 Cb 0.45 -1.35 -0.05 0.00 -1.02 0.00 0.00 32.46 30.50 3ha1 n ARG 142 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3ha1 s GLU 143 N -2.34 2.68 -0.06 5.56 0.41 -1.26 -4.96 118.70 118.72 3ha1 s GLU 143 Ca -0.18 -1.29 -0.26 0.00 -0.41 0.00 0.00 54.97 52.83 3ha1 s GLU 143 Cb 0.05 -2.42 -0.22 0.00 -1.78 0.00 0.00 34.13 29.76 3ha1 s GLU 143 CO 0.46 0.19 1.07 -0.09 -0.49 0.00 0.00 175.26 176.39 3ha1 h ARG 144 N 1.41 0.06 -0.80 1.61 2.43 -1.99 -1.06 114.38 116.04 3ha1 h ARG 144 Ca -0.45 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 3ha1 h ARG 144 Cb 1.25 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.77 3ha1 h ARG 144 CO 0.60 0.75 0.47 0.87 -1.51 0.00 0.00 179.97 181.15 3ha1 h LYS 145 N -0.62 1.09 -0.14 0.20 1.57 -1.99 -1.25 116.57 115.42 3ha1 h LYS 145 Ca -0.01 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3ha1 h LYS 145 Cb 0.77 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 3ha1 h LYS 145 CO 0.01 0.78 -0.27 1.49 -0.57 0.00 0.00 179.45 180.89 3ha1 h GLU 146 N 1.10 -0.32 -0.43 3.15 4.81 -1.95 -0.93 114.58 120.01 3ha1 h GLU 146 Ca 0.28 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.59 3ha1 h GLU 146 Cb -0.02 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 3ha1 h GLU 146 CO -0.05 -0.21 0.16 1.25 -0.73 0.00 0.00 179.01 179.43 3ha1 h LEU 147 N -0.33 0.18 -0.68 1.64 5.85 -0.80 -0.62 115.31 120.56 3ha1 h LEU 147 Ca 0.10 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.94 3ha1 h LEU 147 Cb 0.49 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 3ha1 h LEU 147 CO -0.33 0.14 0.36 0.50 -0.34 0.00 0.00 178.44 178.77 3ha1 h LYS 148 N 0.33 0.64 -0.16 1.25 3.64 -0.97 -0.09 116.57 121.22 3ha1 h LYS 148 Ca 0.20 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 3ha1 h LYS 148 Cb 0.18 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3ha1 h LYS 148 CO -0.19 0.42 -0.40 0.78 -2.27 0.00 0.00 179.45 177.79 3ha1 h GLY 149 N 0.66 0.38 0.74 5.01 0.00 -0.73 -1.01 103.07 108.12 3ha1 h GLY 149 Ca 0.31 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3ha1 h GLY 149 CO -0.21 0.32 -0.03 -2.75 0.00 0.00 0.00 176.54 173.88 3ha1 h PHE 150 N 0.29 0.28 -0.70 5.60 3.57 -0.47 -2.29 116.94 123.23 3ha1 h PHE 150 Ca 0.03 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 3ha1 h PHE 150 Cb 0.83 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 3ha1 h PHE 150 CO 0.02 0.54 0.25 -0.07 -2.23 0.00 0.00 178.31 176.81 3ha1 h LEU 151 N -0.07 0.97 -0.84 0.59 3.38 -0.87 -1.97 115.31 116.49 3ha1 h LEU 151 Ca 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3ha1 h LEU 151 Cb 0.45 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3ha1 h LEU 151 CO 0.01 0.89 0.49 0.11 0.09 0.00 0.00 178.44 180.03 3ha1 h LYS 152 N 1.02 1.16 -0.06 1.13 1.57 -1.16 -2.94 116.57 117.27 3ha1 h LYS 152 Ca 0.23 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 3ha1 h LYS 152 Cb 0.24 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3ha1 h LYS 152 CO -0.01 0.83 -0.37 1.03 -0.57 0.00 0.00 179.45 180.35 3ha1 h SER 153 N 1.16 0.13 0.00 0.86 0.87 -0.96 -2.46 113.55 113.15 3ha1 h SER 153 Ca 0.30 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3ha1 h SER 153 Cb -0.02 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 3ha1 h SER 153 CO -0.05 0.49 -0.00 -0.07 -0.53 0.00 0.00 176.83 176.67 3ha1 h LEU 154 N 0.11 0.00 -1.86 2.23 3.38 -1.19 -2.05 115.31 115.94 3ha1 h LEU 154 Ca 0.01 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.12 3ha1 h LEU 154 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3ha1 h LEU 154 CO 0.05 0.00 0.39 -0.33 0.09 0.00 0.00 178.44 178.65 3ha1 h GLU 155 N 0.00 0.14 -0.07 1.13 5.08 -1.44 0.56 114.58 119.98 3ha1 h GLU 155 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3ha1 h GLU 155 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3ha1 h GLU 155 CO 0.00 0.09 0.00 0.41 -1.00 0.00 0.00 179.01 178.51 3ha1 n GLY 156 N -1.60 -0.48 2.51 -3.84 0.00 -0.77 -4.43 105.19 96.59 3ha1 n GLY 156 Ca 0.10 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 3ha1 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ha1 n ALA 157 N -0.33 3.31 0.31 4.61 0.00 0.20 -4.92 120.51 123.69 3ha1 n ALA 157 Ca 0.15 -4.05 0.21 0.00 0.00 0.00 0.00 53.44 49.74 3ha1 n ALA 157 Cb 0.17 -0.84 1.11 0.00 0.00 0.00 0.00 19.45 19.90 3ha1 n ALA 157 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ha1 h PRO 158 N 3.20 0.00 0.00 0.00 0.13 -1.78 0.12 132.00 133.68 3ha1 h PRO 158 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ha1 h PRO 158 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3ha1 h PRO 158 CO 0.66 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.40 3ha1 n PHE 159 N -2.94 0.26 -3.52 1.56 -1.74 -1.26 -4.65 117.46 105.17 3ha1 n PHE 159 Ca -0.03 0.09 -0.37 0.00 -0.56 0.00 0.00 57.45 56.59 3ha1 n PHE 159 Cb 0.08 -0.65 -0.07 0.00 1.52 0.00 0.00 39.48 40.36 3ha1 n PHE 159 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 3ha1 s LEU 160 N -3.46 4.24 -0.15 5.98 1.43 0.42 -0.30 118.68 126.85 3ha1 s LEU 160 Ca 0.08 0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 3ha1 s LEU 160 Cb 0.11 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.97 3ha1 s LEU 160 CO 0.37 0.08 -0.10 -0.70 0.23 0.00 0.00 176.35 176.23 3ha1 s GLU 161 N 0.54 1.85 0.17 1.70 2.12 -0.00 -4.97 118.70 120.10 3ha1 s GLU 161 Ca 0.17 -0.50 -0.32 0.00 0.36 0.00 0.00 54.97 54.68 3ha1 s GLU 161 Cb -0.13 -1.98 -0.11 0.00 0.26 0.00 0.00 34.13 32.17 3ha1 s GLU 161 CO 0.04 -0.32 1.78 -1.17 -0.54 0.00 0.00 175.26 175.05 3ha1 s LEU 162 N 1.57 4.38 -0.09 2.70 2.96 -1.26 -1.67 118.68 127.27 3ha1 s LEU 162 Ca 0.03 2.82 0.08 0.00 -0.22 0.00 0.00 54.13 56.84 3ha1 s LEU 162 Cb -0.14 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 42.85 3ha1 s LEU 162 CO -0.09 -0.99 0.03 1.21 -1.32 0.00 0.00 176.35 175.19 3ha1 n GLU 163 N 4.79 2.43 -3.78 1.98 2.13 0.63 -4.84 120.64 123.97 3ha1 n GLU 163 Ca 0.17 -0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.97 3ha1 n GLU 163 Cb 0.37 -1.24 -0.00 0.00 0.27 0.00 0.00 31.44 30.84 3ha1 n GLU 163 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3ha1 s GLY 164 N -4.17 -0.16 -0.02 8.31 0.00 -1.23 -4.27 107.32 105.79 3ha1 s GLY 164 Ca -0.05 0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.80 3ha1 s GLY 164 CO 0.38 1.12 -0.06 0.14 0.00 0.00 0.00 173.10 174.67 3ha1 s VAL 165 N -2.67 0.53 0.15 1.40 1.01 0.45 -1.27 120.40 119.99 3ha1 s VAL 165 Ca 0.17 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 3ha1 s VAL 165 Cb -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 3ha1 s VAL 165 CO 0.02 0.17 0.21 -0.72 0.00 0.00 0.00 175.10 174.78 3ha1 s TYR 166 N 0.13 0.50 0.30 5.22 1.13 0.05 -1.78 117.35 122.89 3ha1 s TYR 166 Ca -0.01 -0.88 0.04 0.00 -1.41 0.00 0.00 57.07 54.81 3ha1 s TYR 166 Cb -0.06 -0.18 -0.03 0.00 -1.10 0.00 0.00 41.96 40.59 3ha1 s TYR 166 CO -0.00 -0.64 0.27 -0.08 -2.51 0.00 0.00 175.55 172.58 3ha1 s THR 167 N -3.98 0.00 -0.00 -3.49 -1.32 -1.05 -1.04 115.64 104.75 3ha1 s THR 167 Ca 0.18 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 58.71 3ha1 s THR 167 Cb 0.05 -2.51 0.01 0.00 -1.51 0.00 0.00 72.50 68.53 3ha1 s THR 167 CO -0.01 0.00 0.00 -2.28 -2.21 0.00 0.00 174.62 170.13 3ha1 s HIS 168 N -3.59 0.03 -0.06 9.09 2.46 -1.26 -4.36 115.29 117.60 3ha1 s HIS 168 Ca 0.39 0.02 -0.16 0.00 0.47 0.00 0.00 55.06 55.79 3ha1 s HIS 168 Cb 0.03 -0.06 -0.05 0.00 -0.13 0.00 0.00 32.58 32.37 3ha1 s HIS 168 CO 0.23 -0.02 0.41 -0.06 -2.47 0.00 0.00 174.74 172.83 3ha1 s PHE 169 N 0.21 3.62 -0.33 3.88 0.08 -1.26 -4.24 117.98 119.94 3ha1 s PHE 169 Ca -0.02 0.90 0.23 0.00 0.12 0.00 0.00 56.93 58.16 3ha1 s PHE 169 Cb -0.03 -2.37 0.08 0.00 -0.57 0.00 0.00 43.02 40.13 3ha1 s PHE 169 CO -0.01 0.44 1.12 0.00 -0.10 0.00 0.00 175.22 176.68 3ha1 h ALA 170 N 5.62 0.54 0.00 5.36 0.00 -1.95 -3.40 119.26 125.43 3ha1 h ALA 170 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ha1 h ALA 170 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ha1 h ALA 170 CO 0.68 0.00 -0.34 0.25 0.00 0.00 0.00 179.25 179.84 3ha1 n THR 171 N -2.58 0.62 0.29 0.00 -2.24 -1.26 -4.82 114.28 104.30 3ha1 n THR 171 Ca 0.01 -0.75 0.19 0.00 -2.27 0.00 0.00 64.05 61.23 3ha1 n THR 171 Cb 0.53 0.26 0.98 0.00 -2.10 0.00 0.00 70.33 69.99 3ha1 n THR 171 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ha1 h ALA 172 N 0.00 1.00 -0.46 6.98 0.00 -1.97 -2.55 119.26 122.26 3ha1 h ALA 172 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ha1 h ALA 172 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3ha1 h ALA 172 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 178.85 3ha1 n ASP 173 N -2.82 3.23 -4.62 0.00 5.75 -1.26 -4.51 116.55 112.32 3ha1 n ASP 173 Ca -0.02 -2.24 -0.34 0.00 -0.01 0.00 0.00 54.79 52.18 3ha1 n ASP 173 Cb 0.09 -0.44 -0.10 0.00 -1.03 0.00 0.00 41.12 39.63 3ha1 n ASP 173 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ha1 s GLU 174 N -1.65 3.03 0.12 0.11 2.02 -0.96 -4.48 118.70 116.87 3ha1 s GLU 174 Ca 0.35 -0.47 -0.22 0.00 0.02 0.00 0.00 54.97 54.64 3ha1 s GLU 174 Cb 0.21 -2.75 -0.06 0.00 0.10 0.00 0.00 34.13 31.63 3ha1 s GLU 174 CO 0.18 0.61 1.69 0.28 0.02 0.00 0.00 175.26 178.05 3ha1 h VAL 175 N 4.35 0.73 -3.63 2.63 2.07 -1.89 -3.41 116.25 117.10 3ha1 h VAL 175 Ca -0.47 0.00 -0.51 0.00 0.82 0.00 0.00 66.70 66.54 3ha1 h VAL 175 Cb 1.18 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3ha1 h VAL 175 CO 0.55 0.00 0.35 -0.70 0.02 0.00 0.00 177.57 177.79 3ha1 s GLU 176 N -6.17 4.75 -0.09 1.57 -6.30 -1.26 -4.96 118.70 106.25 3ha1 s GLU 176 Ca -0.14 1.45 0.14 0.00 -2.50 0.00 0.00 54.97 53.93 3ha1 s GLU 176 Cb 0.09 -3.34 0.47 0.00 0.00 0.00 0.00 34.13 31.35 3ha1 s GLU 176 CO 0.67 0.34 1.39 0.25 0.02 0.00 0.00 175.26 177.93 3ha1 n THR 177 N 2.28 1.63 0.03 -1.70 -2.24 -1.26 -4.75 114.28 108.28 3ha1 n THR 177 Ca 0.00 -1.36 -0.11 0.00 -2.27 0.00 0.00 64.05 60.32 3ha1 n THR 177 Cb 0.48 0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 3ha1 n THR 177 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3ha1 h SER 178 N 2.34 -0.14 -0.62 3.42 0.02 -1.96 0.56 113.55 117.18 3ha1 h SER 178 Ca 0.00 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3ha1 h SER 178 Cb 1.13 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 3ha1 h SER 178 CO 0.13 -0.07 0.15 0.22 -1.14 0.00 0.00 176.83 176.12 3ha1 h TYR 179 N -0.07 1.04 -0.43 3.45 3.20 -1.96 -1.84 116.97 120.37 3ha1 h TYR 179 Ca 0.03 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.80 3ha1 h TYR 179 Cb 0.11 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 3ha1 h TYR 179 CO -0.13 0.87 0.24 0.35 -1.64 0.00 0.00 178.16 177.85 3ha1 h PHE 180 N 0.91 0.45 -0.84 -3.82 3.57 -1.78 -0.33 116.94 115.10 3ha1 h PHE 180 Ca 0.19 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 3ha1 h PHE 180 Cb 0.36 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 3ha1 h PHE 180 CO 0.03 0.25 0.51 -0.44 -2.23 0.00 0.00 178.31 176.43 3ha1 h ASP 181 N 0.49 1.00 -0.28 0.41 3.32 -0.57 -1.07 116.42 119.72 3ha1 h ASP 181 Ca 0.17 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3ha1 h ASP 181 Cb 0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3ha1 h ASP 181 CO -0.09 0.77 0.01 0.11 -1.72 0.00 0.00 179.24 178.32 3ha1 h LYS 182 N 1.16 0.49 -0.39 3.56 6.56 -0.84 -2.04 116.57 125.07 3ha1 h LYS 182 Ca 0.30 -0.15 0.08 0.00 -1.06 0.00 0.00 60.65 59.82 3ha1 h LYS 182 Cb -0.05 -0.05 -0.07 0.00 -0.57 0.00 0.00 32.23 31.49 3ha1 h LYS 182 CO -0.06 0.63 -0.09 1.96 -2.06 0.00 0.00 179.45 179.83 3ha1 h GLN 183 N 0.28 0.00 -0.47 3.15 4.20 -0.88 0.16 115.11 121.55 3ha1 h GLN 183 Ca 0.08 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.85 3ha1 h GLN 183 Cb 0.40 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 3ha1 h GLN 183 CO 0.01 0.00 0.19 -0.92 -0.67 0.00 0.00 178.83 177.44 3ha1 h TYR 184 N 0.00 0.34 -0.69 2.96 3.20 -0.99 0.22 116.97 122.02 3ha1 h TYR 184 Ca 0.19 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 3ha1 h TYR 184 Cb 0.28 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3ha1 h TYR 184 CO -0.34 0.14 0.27 -0.91 -1.64 0.00 0.00 178.16 175.67 3ha1 h ASN 185 N 0.38 0.95 -0.62 -2.11 2.35 -1.12 -0.67 115.58 114.74 3ha1 h ASN 185 Ca 0.22 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3ha1 h ASN 185 Cb 0.19 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3ha1 h ASN 185 CO -0.20 0.87 0.31 0.74 -1.65 0.00 0.00 177.43 177.51 3ha1 h THR 186 N 0.98 1.21 -0.59 2.81 2.02 -0.22 -2.19 112.91 116.93 3ha1 h THR 186 Ca 0.23 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 3ha1 h THR 186 Cb 0.22 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 3ha1 h THR 186 CO -0.02 0.24 0.12 0.15 0.37 0.00 0.00 175.52 176.38 3ha1 h PHE 187 N 0.85 0.96 -0.50 3.16 3.57 -0.29 -0.50 116.94 124.18 3ha1 h PHE 187 Ca 0.21 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3ha1 h PHE 187 Cb 0.09 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3ha1 h PHE 187 CO -0.00 0.81 0.30 -0.07 -2.23 0.00 0.00 178.31 177.12 3ha1 h LEU 188 N 0.88 0.49 -0.68 0.59 4.07 -0.87 -0.38 115.31 119.41 3ha1 h LEU 188 Ca 0.19 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.10 3ha1 h LEU 188 Cb 0.34 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.95 3ha1 h LEU 188 CO 0.00 0.35 0.23 -0.08 -1.08 0.00 0.00 178.44 177.86 3ha1 h GLU 189 N 0.60 1.05 -0.62 1.13 4.81 -1.00 -1.93 114.58 118.62 3ha1 h GLU 189 Ca 0.20 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3ha1 h GLU 189 Cb 0.01 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3ha1 h GLU 189 CO -0.09 0.91 0.22 1.96 -0.73 0.00 0.00 179.01 181.27 3ha1 h GLN 190 N 0.99 0.96 -0.15 1.92 4.20 -0.49 -1.15 115.11 121.39 3ha1 h GLN 190 Ca 0.22 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 3ha1 h GLN 190 Cb 0.28 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3ha1 h GLN 190 CO -0.01 0.83 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.73 3ha1 h LEU 191 N 0.88 0.23 -0.73 1.46 3.38 -0.96 -2.21 115.31 117.37 3ha1 h LEU 191 Ca 0.20 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3ha1 h LEU 191 Cb 0.26 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3ha1 h LEU 191 CO -0.01 0.43 0.16 -1.28 0.09 0.00 0.00 178.44 177.84 3ha1 h SER 192 N 0.23 1.07 -0.32 -0.43 0.87 -0.52 -0.08 113.55 114.37 3ha1 h SER 192 Ca 0.04 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 3ha1 h SER 192 Cb 0.46 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 3ha1 h SER 192 CO 0.03 1.03 0.13 -0.50 -0.53 0.00 0.00 176.83 176.99 3ha1 h TRP 193 N 1.07 0.48 -0.52 2.24 6.55 -0.95 0.36 115.95 125.19 3ha1 h TRP 193 Ca 0.22 -0.03 0.06 0.00 0.95 0.00 0.00 58.89 60.09 3ha1 h TRP 193 Cb 0.38 -0.14 -0.06 0.00 -0.86 0.00 0.00 29.16 28.48 3ha1 h TRP 193 CO 0.03 0.45 0.21 1.25 -1.05 0.00 0.00 178.44 179.34 3ha1 h LEU 194 N 0.37 0.25 -0.27 -4.49 5.85 -1.12 0.23 115.31 116.12 3ha1 h LEU 194 Ca 0.11 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3ha1 h LEU 194 Cb 0.17 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3ha1 h LEU 194 CO -0.01 0.17 0.13 0.11 -0.34 0.00 0.00 178.44 178.50 3ha1 h LYS 195 N 0.41 0.39 -0.75 1.25 6.56 -0.67 -1.36 116.57 122.40 3ha1 h LYS 195 Ca 0.25 -0.06 0.14 0.00 -1.06 0.00 0.00 60.65 59.92 3ha1 h LYS 195 Cb 0.24 -0.07 -0.09 0.00 -0.57 0.00 0.00 32.23 31.73 3ha1 h LYS 195 CO -0.23 0.38 0.29 1.49 -2.06 0.00 0.00 179.45 179.33 3ha1 h GLU 196 N 0.31 0.42 -0.49 3.15 4.81 0.49 -0.40 114.58 122.87 3ha1 h GLU 196 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3ha1 h GLU 196 Cb 0.12 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3ha1 h GLU 196 CO -0.01 0.28 0.00 1.19 -0.73 0.00 0.00 179.01 179.74 3ha1 n PHE 197 N -5.01 0.09 -0.72 0.92 3.72 0.74 -4.87 117.46 112.33 3ha1 n PHE 197 Ca 0.14 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3ha1 n PHE 197 Cb 0.41 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 3ha1 n PHE 197 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ha1 n GLY 198 N 0.31 0.60 3.39 1.37 0.00 -0.16 -5.04 105.19 105.66 3ha1 n GLY 198 Ca 0.02 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 3ha1 n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ha1 s VAL 199 N -2.00 3.52 0.07 1.61 1.01 -0.56 -5.02 120.40 119.03 3ha1 s VAL 199 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 3ha1 s VAL 199 Cb 0.00 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 3ha1 s VAL 199 CO 0.00 0.46 1.04 1.51 0.00 0.00 0.00 175.10 178.11 3ha1 s ASP 200 N 0.87 7.33 0.27 3.32 1.47 -1.26 -3.80 116.67 124.87 3ha1 s ASP 200 Ca -0.01 1.83 -0.03 0.00 1.18 0.00 0.00 52.55 55.52 3ha1 s ASP 200 Cb -0.15 -2.58 0.35 0.00 -0.34 0.00 0.00 42.92 40.20 3ha1 s ASP 200 CO 0.01 -0.24 1.82 -0.65 0.68 0.00 0.00 175.17 176.79 3ha1 h PRO 201 N 6.24 0.92 0.00 2.11 0.11 -1.96 -3.46 132.00 135.95 3ha1 h PRO 201 Ca -0.42 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.51 3ha1 h PRO 201 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ha1 h PRO 201 CO 0.75 0.79 0.00 1.63 -0.21 0.00 0.00 178.00 180.96 3ha1 n LYS 202 N -4.28 0.00 -3.28 1.05 5.02 -1.26 -4.19 118.16 111.22 3ha1 n LYS 202 Ca 0.05 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.33 3ha1 n LYS 202 Cb 0.21 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.18 3ha1 n LYS 202 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3ha1 s PHE 203 N 0.00 -1.31 -0.10 2.13 5.36 -1.26 -5.06 117.98 117.74 3ha1 s PHE 203 Ca 0.00 1.50 0.02 0.00 -0.96 0.00 0.00 56.93 57.48 3ha1 s PHE 203 Cb 0.00 0.41 -0.02 0.00 -0.34 0.00 0.00 43.02 43.07 3ha1 s PHE 203 CO 0.00 -0.79 -0.14 0.08 -1.46 0.00 0.00 175.22 172.91 3ha1 s VAL 204 N 2.76 3.04 0.01 3.12 1.01 -1.26 -0.41 120.40 128.66 3ha1 s VAL 204 Ca 0.15 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3ha1 s VAL 204 Cb -0.15 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 3ha1 s VAL 204 CO -0.19 0.55 -0.04 -1.38 0.00 0.00 0.00 175.10 174.04 3ha1 s HIS 205 N -0.11 0.36 0.00 5.22 -3.43 -0.74 -1.11 115.29 115.49 3ha1 s HIS 205 Ca -0.02 -0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.04 3ha1 s HIS 205 Cb -0.14 -0.23 0.00 0.00 -1.43 0.00 0.00 32.58 30.78 3ha1 s HIS 205 CO 0.04 -0.05 0.00 0.25 -2.00 0.00 0.00 174.74 172.98 3ha1 n THR 206 N 2.50 0.00 -3.28 -5.38 -2.24 -1.25 -2.53 114.28 102.11 3ha1 n THR 206 Ca -0.16 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.23 3ha1 n THR 206 Cb 0.58 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 3ha1 n THR 206 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ha1 s ALA 207 N -1.05 3.52 0.34 6.98 0.00 -1.26 -4.40 121.76 125.88 3ha1 s ALA 207 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3ha1 s ALA 207 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.45 3ha1 s ALA 207 CO 0.00 0.17 0.00 0.27 0.00 0.00 0.00 175.76 176.20 3ha1 n ASN 208 N 2.81 0.00 0.00 0.00 0.23 -1.26 -0.07 115.26 116.98 3ha1 n ASN 208 Ca -0.08 -0.70 -0.11 0.00 -0.53 0.00 0.00 54.58 53.16 3ha1 n ASN 208 Cb 0.51 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.16 3ha1 n ASN 208 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3ha1 h SER 209 N 0.00 0.10 -0.29 0.53 0.02 -1.95 -1.09 113.55 110.86 3ha1 h SER 209 Ca 0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3ha1 h SER 209 Cb 0.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3ha1 h SER 209 CO 0.00 0.08 0.08 0.00 -1.14 0.00 0.00 176.83 175.85 3ha1 h ALA 210 N 1.02 0.38 -0.17 3.77 0.00 -1.94 -1.04 119.26 121.28 3ha1 h ALA 210 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ha1 h ALA 210 Cb -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3ha1 h ALA 210 CO -0.01 0.03 0.10 0.00 0.00 0.00 0.00 179.25 179.38 3ha1 h ALA 211 N 0.91 0.22 -0.72 0.00 0.00 -1.77 -2.71 119.26 115.19 3ha1 h ALA 211 Ca 0.09 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3ha1 h ALA 211 Cb 0.27 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3ha1 h ALA 211 CO -0.00 -0.31 0.43 1.15 0.00 0.00 0.00 179.25 180.51 3ha1 h THR 212 N 0.22 1.02 0.00 0.00 2.02 -1.04 -1.36 112.91 113.77 3ha1 h THR 212 Ca 0.07 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3ha1 h THR 212 Cb -0.01 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3ha1 h THR 212 CO -0.03 0.15 0.00 0.18 0.37 0.00 0.00 175.52 176.19 3ha1 n LEU 213 N -4.71 0.00 -0.04 2.58 4.77 -0.41 -4.19 117.00 115.00 3ha1 n LEU 213 Ca 0.09 0.48 -0.06 0.00 -0.03 0.00 0.00 56.01 56.49 3ha1 n LEU 213 Cb 0.15 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 3ha1 n LEU 213 CO 0.31 -0.09 -0.75 0.54 -1.33 0.00 0.00 177.39 176.06 3ha1 n ARG 214 N -1.48 0.19 -4.81 3.23 1.74 -0.88 -4.52 116.66 110.13 3ha1 n ARG 214 Ca 0.06 0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.86 3ha1 n ARG 214 Cb 0.27 -1.10 -0.14 0.00 -1.02 0.00 0.00 32.46 30.47 3ha1 n ARG 214 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3ha1 s PHE 215 N -2.15 2.78 0.33 -1.55 0.08 -0.57 -5.10 117.98 111.79 3ha1 s PHE 215 Ca -0.10 -0.41 -0.28 0.00 0.12 0.00 0.00 56.93 56.26 3ha1 s PHE 215 Cb 0.03 -1.75 -0.09 0.00 -0.57 0.00 0.00 43.02 40.63 3ha1 s PHE 215 CO 0.17 -0.02 1.14 1.14 -0.10 0.00 0.00 175.22 177.55 3ha1 s GLN 216 N -0.13 4.41 0.00 0.44 -2.07 -1.26 -4.03 119.66 117.02 3ha1 s GLN 216 Ca -0.01 1.85 0.00 0.00 -1.82 0.00 0.00 55.36 55.38 3ha1 s GLN 216 Cb -0.14 -2.98 0.00 0.00 -1.09 0.00 0.00 33.01 28.80 3ha1 s GLN 216 CO 0.03 -0.01 0.00 0.41 -1.32 0.00 0.00 175.29 174.41 3ha1 n GLY 217 N 0.91 0.57 0.00 2.60 0.00 -1.26 -4.92 105.19 103.10 3ha1 n GLY 217 Ca 0.01 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.76 3ha1 n GLY 217 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3ha1 n ILE 218 N -2.79 0.00 -0.14 -0.61 0.13 -1.26 -4.70 119.36 110.00 3ha1 n ILE 218 Ca 0.00 -0.26 -0.07 0.00 -1.10 0.00 0.00 62.75 61.33 3ha1 n ILE 218 Cb 0.00 0.72 0.10 0.00 -0.84 0.00 0.00 39.64 39.61 3ha1 n ILE 218 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3ha1 h THR 219 N 0.00 1.26 0.00 9.51 1.35 -1.90 -3.39 112.91 119.75 3ha1 h THR 219 Ca 0.00 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3ha1 h THR 219 Cb 0.32 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 3ha1 h THR 219 CO 0.00 0.40 0.00 0.49 -0.25 0.00 0.00 175.52 176.16 3ha1 n PHE 220 N -4.17 0.00 0.65 4.73 3.72 -1.26 -2.26 117.46 118.87 3ha1 n PHE 220 Ca 0.02 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.53 3ha1 n PHE 220 Cb 0.36 0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 3ha1 n PHE 220 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ha1 n ASN 221 N 2.87 0.63 -3.52 4.37 4.13 -0.26 -4.83 115.26 118.65 3ha1 n ASN 221 Ca 0.00 -0.35 -0.08 0.00 1.68 0.00 0.00 54.58 55.83 3ha1 n ASN 221 Cb 0.00 0.86 -0.02 0.00 -1.54 0.00 0.00 39.78 39.08 3ha1 n ASN 221 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ha1 s ALA 222 N -3.16 -1.86 0.22 5.41 0.00 -0.96 -1.96 121.76 119.44 3ha1 s ALA 222 Ca 0.04 1.15 0.12 0.00 0.00 0.00 0.00 51.96 53.27 3ha1 s ALA 222 Cb 0.15 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 3ha1 s ALA 222 CO 0.81 -0.63 -0.23 0.14 0.00 0.00 0.00 175.76 175.86 3ha1 s VAL 223 N -2.77 2.39 -0.31 0.00 -7.23 -0.64 -3.84 120.40 107.99 3ha1 s VAL 223 Ca 0.04 -2.14 -0.00 0.00 -1.81 0.00 0.00 61.98 58.07 3ha1 s VAL 223 Cb -0.01 -2.17 0.07 0.00 0.56 0.00 0.00 36.38 34.82 3ha1 s VAL 223 CO -0.07 -0.20 0.01 -0.13 -0.31 0.00 0.00 175.10 174.40 3ha1 s ARG 224 N -2.92 2.21 -0.28 4.82 0.52 0.91 -0.91 118.95 123.29 3ha1 s ARG 224 Ca 0.23 -1.45 -0.10 0.00 -0.52 0.00 0.00 55.73 53.90 3ha1 s ARG 224 Cb -0.07 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 3ha1 s ARG 224 CO 0.11 -0.72 0.16 0.42 0.02 0.00 0.00 175.30 175.29 3ha1 s ILE 225 N 1.16 4.98 0.00 1.52 -1.09 -0.51 -3.71 121.20 123.56 3ha1 s ILE 225 Ca -0.02 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 3ha1 s ILE 225 Cb -0.20 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 3ha1 s ILE 225 CO -0.03 0.25 0.00 0.61 -1.23 0.00 0.00 174.94 174.54 3ha1 n GLY 226 N 5.02 0.27 0.41 6.18 0.00 -1.26 -1.11 105.19 114.69 3ha1 n GLY 226 Ca -0.15 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.11 3ha1 n GLY 226 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ha1 h ILE 227 N 0.00 0.51 0.00 -0.61 6.09 -1.90 0.71 117.51 122.31 3ha1 h ILE 227 Ca 0.00 -0.13 -0.13 0.00 -1.37 0.00 0.00 64.86 63.24 3ha1 h ILE 227 Cb 0.00 0.11 -0.02 0.00 0.47 0.00 0.00 36.82 37.38 3ha1 h ILE 227 CO 0.00 0.07 -0.60 0.00 -3.07 0.00 0.00 178.15 174.55 3ha1 h ALA 228 N 1.61 0.95 -0.20 0.18 0.00 -1.91 -1.91 119.26 117.99 3ha1 h ALA 228 Ca 0.60 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ha1 h ALA 228 Cb 1.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3ha1 h ALA 228 CO -0.29 0.75 0.05 1.98 0.00 0.00 0.00 179.25 181.75 3ha1 h MET 229 N 0.00 0.28 -0.01 0.00 1.85 -1.15 -0.85 114.93 115.05 3ha1 h MET 229 Ca -0.01 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 3ha1 h MET 229 Cb 1.10 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.07 3ha1 h MET 229 CO 0.08 0.26 -0.05 0.66 -0.40 0.00 0.00 176.91 177.46 3ha1 n TYR 230 N -4.42 0.00 -1.01 1.39 4.01 -0.75 -4.41 117.16 111.96 3ha1 n TYR 230 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3ha1 n TYR 230 Cb 0.14 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 3ha1 n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ha1 n GLY 231 N 1.18 0.79 3.35 2.72 0.00 -0.32 -1.32 105.19 111.58 3ha1 n GLY 231 Ca 0.18 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 3ha1 n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ha1 s LEU 232 N 0.00 2.27 0.24 0.99 1.43 -1.06 -3.00 118.68 119.55 3ha1 s LEU 232 Ca 0.00 -0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 52.12 3ha1 s LEU 232 Cb 0.00 -1.17 -0.09 0.00 0.03 0.00 0.00 46.19 44.96 3ha1 s LEU 232 CO 0.00 0.18 1.22 -0.55 0.23 0.00 0.00 176.35 177.43 3ha1 s SER 233 N -1.78 7.03 0.53 2.29 0.15 -1.26 -3.83 113.70 116.83 3ha1 s SER 233 Ca 0.12 2.37 0.19 0.00 0.70 0.00 0.00 55.95 59.32 3ha1 s SER 233 Cb -0.10 -2.62 1.34 0.00 -1.71 0.00 0.00 66.02 62.93 3ha1 s SER 233 CO 0.04 -0.38 2.13 -0.65 1.20 0.00 0.00 173.24 175.59 3ha1 h PRO 234 N 4.54 0.00 -3.55 5.44 0.11 -1.97 -3.44 132.00 133.14 3ha1 h PRO 234 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 3ha1 h PRO 234 Cb 1.22 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 3ha1 h PRO 234 CO 0.71 0.00 -0.12 -1.54 -0.21 0.00 0.00 178.00 176.85 3ha1 s SER 235 N -6.83 -0.13 0.26 -2.05 1.04 -1.26 -5.00 113.70 99.73 3ha1 s SER 235 Ca -0.05 -0.64 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 3ha1 s SER 235 Cb 0.17 0.52 0.33 0.00 0.10 0.00 0.00 66.02 67.14 3ha1 s SER 235 CO 0.67 -0.98 1.82 0.58 0.98 0.00 0.00 173.24 176.31 3ha1 h VAL 236 N 2.35 1.23 -0.87 5.02 2.07 -1.91 -3.10 116.25 121.04 3ha1 h VAL 236 Ca -0.30 -0.78 0.07 0.00 0.82 0.00 0.00 66.70 66.51 3ha1 h VAL 236 Cb 1.25 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 3ha1 h VAL 236 CO 0.42 0.31 0.57 -0.08 0.02 0.00 0.00 177.57 178.80 3ha1 h GLU 237 N 0.94 0.92 -0.00 1.57 4.81 -1.96 -2.73 114.58 118.12 3ha1 h GLU 237 Ca 0.21 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3ha1 h GLU 237 Cb 0.24 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3ha1 h GLU 237 CO -0.01 0.61 -0.78 0.44 -0.73 0.00 0.00 179.01 178.53 3ha1 n ILE 238 N -4.50 0.00 -0.30 2.32 -5.35 -1.22 -4.37 119.36 105.94 3ha1 n ILE 238 Ca 0.14 -0.05 0.09 0.00 -0.27 0.00 0.00 62.75 62.66 3ha1 n ILE 238 Cb 0.23 0.88 0.26 0.00 -1.74 0.00 0.00 39.64 39.26 3ha1 n ILE 238 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3ha1 h ARG 239 N 0.48 0.56 -0.04 6.28 2.43 -1.40 0.40 114.38 123.09 3ha1 h ARG 239 Ca 0.00 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3ha1 h ARG 239 Cb 0.54 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3ha1 h ARG 239 CO 0.00 0.37 0.13 -1.35 -1.51 0.00 0.00 179.97 177.61 3ha1 h PRO 240 N 0.57 0.00 -0.05 0.20 0.11 -1.76 -2.89 132.00 128.18 3ha1 h PRO 240 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3ha1 h PRO 240 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3ha1 h PRO 240 CO -0.41 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.57 3ha1 n PHE 241 N -3.23 0.05 -2.17 0.65 3.72 0.14 -4.99 117.46 111.64 3ha1 n PHE 241 Ca -0.02 -0.06 -0.38 0.00 -0.05 0.00 0.00 57.45 56.94 3ha1 n PHE 241 Cb 0.20 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3ha1 n PHE 241 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ha1 s LEU 242 N -0.88 4.06 0.34 4.37 1.43 -1.10 -4.92 118.68 121.97 3ha1 s LEU 242 Ca 0.13 2.43 0.25 0.00 -1.03 0.00 0.00 54.13 55.91 3ha1 s LEU 242 Cb 0.09 -4.15 0.63 0.00 0.03 0.00 0.00 46.19 42.79 3ha1 s LEU 242 CO 0.13 -0.95 1.71 1.55 0.23 0.00 0.00 176.35 179.02 3ha1 h PRO 243 N 2.18 0.00 -3.55 1.29 0.13 -1.93 -3.46 132.00 126.66 3ha1 h PRO 243 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 3ha1 h PRO 243 Cb 1.25 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 3ha1 h PRO 243 CO 0.61 0.00 -0.09 -0.59 -0.23 0.00 0.00 178.00 177.70 3ha1 s PHE 244 N -3.19 0.20 0.02 1.56 -0.71 -1.26 -5.14 117.98 109.47 3ha1 s PHE 244 Ca 0.08 -0.57 -0.30 0.00 -1.04 0.00 0.00 56.93 55.10 3ha1 s PHE 244 Cb 0.09 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 42.09 3ha1 s PHE 244 CO 0.62 -0.95 1.13 0.21 -1.34 0.00 0.00 175.22 174.89 3ha1 s LYS 245 N -3.97 4.46 0.10 1.99 2.20 -1.26 -5.02 119.74 118.23 3ha1 s LYS 245 Ca 0.17 1.65 -0.19 0.00 -0.36 0.00 0.00 55.97 57.24 3ha1 s LYS 245 Cb -0.01 -3.41 -0.07 0.00 -1.51 0.00 0.00 37.83 32.83 3ha1 s LYS 245 CO 0.04 -0.23 0.59 -0.51 -0.36 0.00 0.00 175.35 174.89 3ha1 s LEU 246 N 1.24 4.51 -0.38 5.43 1.43 -1.26 -5.01 118.68 124.64 3ha1 s LEU 246 Ca 0.56 1.29 -0.07 0.00 -1.03 0.00 0.00 54.13 54.88 3ha1 s LEU 246 Cb -0.26 -3.00 0.06 0.00 0.03 0.00 0.00 46.19 43.02 3ha1 s LEU 246 CO 0.27 0.24 0.18 -1.61 0.23 0.00 0.00 176.35 175.66 3ha1 s GLU 247 N -1.23 2.53 0.20 1.70 2.02 -1.25 -4.89 118.70 117.77 3ha1 s GLU 247 Ca 0.31 -1.38 -0.30 0.00 0.02 0.00 0.00 54.97 53.62 3ha1 s GLU 247 Cb -0.19 -3.60 -0.09 0.00 0.10 0.00 0.00 34.13 30.35 3ha1 s GLU 247 CO 0.20 -0.83 1.41 -2.14 0.02 0.00 0.00 175.26 173.91 3ha1 s PRO 248 N 1.37 4.31 0.09 0.39 0.02 -1.16 -3.96 135.00 136.06 3ha1 s PRO 248 Ca 0.01 2.19 0.20 0.00 0.02 0.00 0.00 61.00 63.42 3ha1 s PRO 248 Cb -0.21 -3.17 -0.12 0.00 0.02 0.00 0.00 34.50 31.02 3ha1 s PRO 248 CO 0.01 -0.40 0.81 0.00 -0.33 0.00 0.00 177.00 177.10 3ha1 n ALA 249 N 2.95 2.26 -2.79 -1.55 0.00 -0.44 -4.91 120.51 116.03 3ha1 n ALA 249 Ca 0.08 -0.47 -0.34 0.00 0.00 0.00 0.00 53.44 52.72 3ha1 n ALA 249 Cb 0.41 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 3ha1 n ALA 249 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ha1 s LEU 250 N -5.41 3.26 0.16 0.00 0.20 -1.26 -0.70 118.68 114.92 3ha1 s LEU 250 Ca -0.03 -0.06 0.04 0.00 0.69 0.00 0.00 54.13 54.77 3ha1 s LEU 250 Cb 0.10 -1.75 -0.05 0.00 -0.43 0.00 0.00 46.19 44.06 3ha1 s LEU 250 CO 0.82 0.27 -0.07 -0.94 -0.29 0.00 0.00 176.35 176.14 3ha1 s SER 251 N -0.22 1.70 -0.08 3.68 1.04 -0.31 -4.68 113.70 114.83 3ha1 s SER 251 Ca 0.04 -1.07 -0.00 0.00 0.48 0.00 0.00 55.95 55.39 3ha1 s SER 251 Cb -0.13 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.03 3ha1 s SER 251 CO 0.02 -0.40 -0.04 -0.22 0.98 0.00 0.00 173.24 173.59 3ha1 s LEU 252 N -3.19 0.98 0.19 2.42 2.96 0.83 -0.93 118.68 121.94 3ha1 s LEU 252 Ca 0.19 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 3ha1 s LEU 252 Cb 0.04 -0.58 -0.05 0.00 0.50 0.00 0.00 46.19 46.10 3ha1 s LEU 252 CO 0.02 -0.13 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.84 3ha1 s HIS 253 N 1.59 1.47 0.32 5.38 3.76 -0.59 -0.57 115.29 126.66 3ha1 s HIS 253 Ca 0.00 -0.76 -0.04 0.00 -0.15 0.00 0.00 55.06 54.12 3ha1 s HIS 253 Cb -0.13 -0.77 0.02 0.00 1.11 0.00 0.00 32.58 32.81 3ha1 s HIS 253 CO -0.04 0.12 0.48 -2.37 -0.85 0.00 0.00 174.74 172.08 3ha1 n THR 254 N -0.32 0.00 -4.31 1.30 5.66 -0.28 -1.19 114.28 115.15 3ha1 n THR 254 Ca -0.08 -1.47 -0.20 0.00 -3.05 0.00 0.00 64.05 59.24 3ha1 n THR 254 Cb 0.62 0.97 -0.11 0.00 -1.55 0.00 0.00 70.33 70.25 3ha1 n THR 254 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3ha1 s LYS 255 N -2.61 1.21 -0.12 1.09 1.02 -1.13 -1.44 119.74 117.76 3ha1 s LYS 255 Ca 0.24 -1.38 -0.29 0.00 0.02 0.00 0.00 55.97 54.56 3ha1 s LYS 255 Cb -0.01 -1.20 -0.05 0.00 -0.52 0.00 0.00 37.83 36.05 3ha1 s LYS 255 CO 0.17 0.24 1.75 0.08 -0.92 0.00 0.00 175.35 176.67 3ha1 s VAL 256 N -2.15 3.48 -0.10 3.17 1.01 0.09 -4.41 120.40 121.48 3ha1 s VAL 256 Ca 0.14 0.55 0.21 0.00 0.00 0.00 0.00 61.98 62.89 3ha1 s VAL 256 Cb -0.05 -3.44 -0.23 0.00 0.00 0.00 0.00 36.38 32.66 3ha1 s VAL 256 CO 0.06 -0.14 0.60 0.00 0.00 0.00 0.00 175.10 175.62 3ha1 n ALA 257 N 8.22 2.54 -3.27 5.51 0.00 0.32 -0.51 120.51 133.32 3ha1 n ALA 257 Ca 0.20 -0.53 -0.14 0.00 0.00 0.00 0.00 53.44 52.96 3ha1 n ALA 257 Cb 0.44 -0.80 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 3ha1 n ALA 257 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ha1 s HIS 258 N -3.33 -0.31 -0.05 0.00 2.46 -1.05 -4.94 115.29 108.06 3ha1 s HIS 258 Ca -0.06 0.44 -0.05 0.00 0.47 0.00 0.00 55.06 55.85 3ha1 s HIS 258 Cb 0.12 0.21 0.01 0.00 -0.13 0.00 0.00 32.58 32.79 3ha1 s HIS 258 CO 0.86 -0.50 0.15 -1.50 -2.47 0.00 0.00 174.74 171.28 3ha1 s ILE 259 N -1.71 0.01 0.13 0.89 1.10 -1.26 -0.90 121.20 119.46 3ha1 s ILE 259 Ca -0.10 -0.07 -0.22 0.00 -0.51 0.00 0.00 60.65 59.75 3ha1 s ILE 259 Cb -0.03 -0.24 0.06 0.00 0.15 0.00 0.00 42.46 42.40 3ha1 s ILE 259 CO 0.03 -0.04 0.55 -1.59 -2.11 0.00 0.00 174.94 171.79 3ha1 s LYS 260 N -0.06 1.19 -0.23 3.50 -2.85 -0.84 -5.01 119.74 115.44 3ha1 s LYS 260 Ca -0.01 -0.45 -0.13 0.00 -1.00 0.00 0.00 55.97 54.37 3ha1 s LYS 260 Cb -0.02 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.25 3ha1 s LYS 260 CO 0.00 -0.50 0.27 -0.65 0.10 0.00 0.00 175.35 174.58 3ha1 s GLN 261 N -3.46 4.10 -0.16 1.78 -0.21 -1.26 -0.87 119.66 119.57 3ha1 s GLN 261 Ca -0.00 -0.06 -0.02 0.00 0.02 0.00 0.00 55.36 55.29 3ha1 s GLN 261 Cb -0.00 -3.55 -0.02 0.00 1.00 0.00 0.00 33.01 30.44 3ha1 s GLN 261 CO -0.10 -0.02 -0.08 0.08 -2.12 0.00 0.00 175.29 173.05 3ha1 s VAL 262 N 1.28 3.38 0.77 1.09 1.01 0.37 -4.91 120.40 123.39 3ha1 s VAL 262 Ca 0.13 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 3ha1 s VAL 262 Cb -0.14 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.81 3ha1 s VAL 262 CO 0.07 0.49 1.06 2.30 0.00 0.00 0.00 175.10 179.01 3ha1 n ILE 263 N 3.87 2.42 -1.61 2.22 -5.35 -1.26 -1.04 119.36 118.60 3ha1 n ILE 263 Ca -0.18 -0.29 -0.51 0.00 -0.27 0.00 0.00 62.75 61.50 3ha1 n ILE 263 Cb 0.52 -1.14 -0.06 0.00 -1.74 0.00 0.00 39.64 37.23 3ha1 n ILE 263 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3ha1 n LYS 264 N -2.49 1.38 -0.03 6.28 4.81 -1.21 -2.38 118.16 124.53 3ha1 n LYS 264 Ca 0.13 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 3ha1 n LYS 264 Cb 0.50 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.38 3ha1 n LYS 264 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ha1 n GLY 265 N 2.79 0.87 3.81 3.14 0.00 -0.10 -4.97 105.19 110.73 3ha1 n GLY 265 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3ha1 n GLY 265 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ha1 s ASP 266 N -2.64 6.40 0.22 1.61 1.11 -1.00 -4.61 116.67 117.75 3ha1 s ASP 266 Ca 0.00 1.77 -0.03 0.00 0.18 0.00 0.00 52.55 54.47 3ha1 s ASP 266 Cb 0.00 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 3ha1 s ASP 266 CO 0.00 -0.74 0.44 -0.83 1.18 0.00 0.00 175.17 175.22 3ha1 s GLY 267 N -2.47 1.92 -0.12 0.21 0.00 -1.26 -1.80 107.32 103.79 3ha1 s GLY 267 Ca 0.63 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 44.69 3ha1 s GLY 267 CO 0.25 -0.60 -0.13 -0.42 0.00 0.00 0.00 173.10 172.20 3ha1 s ILE 268 N -1.89 1.40 0.05 0.90 -1.09 -0.02 -4.98 121.20 115.57 3ha1 s ILE 268 Ca 0.41 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 3ha1 s ILE 268 Cb -0.11 -1.32 0.00 0.00 -1.58 0.00 0.00 42.46 39.45 3ha1 s ILE 268 CO 0.28 0.43 0.00 -0.24 -1.23 0.00 0.00 174.94 174.18 3ha1 n SER 269 N 4.56 -2.33 -4.75 3.58 2.88 -1.26 -4.03 113.62 112.26 3ha1 n SER 269 Ca -0.17 0.22 -0.42 0.00 -1.33 0.00 0.00 58.87 57.18 3ha1 n SER 269 Cb 0.51 -0.62 -0.01 0.00 -0.75 0.00 0.00 64.21 63.33 3ha1 n SER 269 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3ha1 n TYR 270 N -1.27 2.88 -1.25 0.66 4.01 -1.26 -1.71 117.16 119.22 3ha1 n TYR 270 Ca 0.00 0.28 -0.09 0.00 -0.16 0.00 0.00 57.90 57.93 3ha1 n TYR 270 Cb 0.09 -2.59 -0.04 0.00 -0.31 0.00 0.00 39.34 36.50 3ha1 n TYR 270 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3ha1 n ASN 271 N 1.94 -5.14 -3.92 7.72 4.13 -1.26 -3.69 115.26 115.05 3ha1 n ASN 271 Ca 0.08 0.21 -0.30 0.00 1.68 0.00 0.00 54.58 56.25 3ha1 n ASN 271 Cb 0.37 -3.39 -0.00 0.00 -1.54 0.00 0.00 39.78 35.22 3ha1 n ASN 271 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3ha1 n VAL 272 N -2.38 -3.66 1.23 2.41 0.31 -0.70 -4.80 118.33 110.75 3ha1 n VAL 272 Ca -0.09 -0.64 0.14 0.00 -0.01 0.00 0.00 64.34 63.74 3ha1 n VAL 272 Cb 0.46 -2.97 0.57 0.00 -0.91 0.00 0.00 33.84 31.00 3ha1 n VAL 272 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3ha1 n THR 273 N -4.43 0.00 -4.13 2.52 -2.24 -1.24 -4.65 114.28 100.11 3ha1 n THR 273 Ca -0.23 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.33 3ha1 n THR 273 Cb 0.65 -0.20 -0.16 0.00 -2.10 0.00 0.00 70.33 68.52 3ha1 n THR 273 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ha1 s TYR 274 N -2.71 0.65 0.02 4.78 5.04 -1.26 -4.86 117.35 119.01 3ha1 s TYR 274 Ca 0.22 -0.16 0.08 0.00 -2.44 0.00 0.00 57.07 54.77 3ha1 s TYR 274 Cb 0.19 -0.59 -0.02 0.00 0.35 0.00 0.00 41.96 41.89 3ha1 s TYR 274 CO 0.52 -0.16 -0.24 1.03 -1.34 0.00 0.00 175.55 175.36 3ha1 s ARG 275 N 0.85 1.80 0.49 4.97 0.52 -1.26 -0.84 118.95 125.48 3ha1 s ARG 275 Ca -0.11 -0.97 -0.22 0.00 -0.52 0.00 0.00 55.73 53.91 3ha1 s ARG 275 Cb -0.14 -1.86 -0.07 0.00 0.52 0.00 0.00 34.95 33.41 3ha1 s ARG 275 CO -0.00 0.49 1.22 0.95 0.02 0.00 0.00 175.30 177.98 3ha1 s THR 276 N -0.70 2.83 -0.19 0.02 -4.23 -0.75 -4.85 115.64 107.78 3ha1 s THR 276 Ca 0.10 0.62 0.22 0.00 -1.18 0.00 0.00 61.69 61.45 3ha1 s THR 276 Cb -0.09 -3.31 -0.21 0.00 1.34 0.00 0.00 72.50 70.22 3ha1 s THR 276 CO 0.01 -0.01 0.72 0.29 -0.54 0.00 0.00 174.62 175.08 3ha1 n LYS 277 N -0.66 0.58 -1.23 3.99 4.76 -1.26 -0.92 118.16 123.41 3ha1 n LYS 277 Ca 0.08 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 3ha1 n LYS 277 Cb 0.47 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 3ha1 n LYS 277 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3ha1 n THR 278 N -2.32 0.00 -2.22 -0.18 -2.24 -1.26 -4.80 114.28 101.26 3ha1 n THR 278 Ca -0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 3ha1 n THR 278 Cb 0.54 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 3ha1 n THR 278 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ha1 s GLU 279 N -1.32 4.04 0.00 -0.78 2.12 -1.26 -3.28 118.70 118.23 3ha1 s GLU 279 Ca 0.00 1.75 0.07 0.00 0.36 0.00 0.00 54.97 57.15 3ha1 s GLU 279 Cb 0.00 -3.92 -0.02 0.00 0.26 0.00 0.00 34.13 30.45 3ha1 s GLU 279 CO 0.00 -0.98 -0.23 -1.21 -0.54 0.00 0.00 175.26 172.31 3ha1 s GLU 280 N 4.09 1.75 -0.23 4.30 2.02 -0.20 -4.88 118.70 125.54 3ha1 s GLU 280 Ca 0.65 -0.87 -0.29 0.00 0.02 0.00 0.00 54.97 54.48 3ha1 s GLU 280 Cb -0.25 -1.75 -0.00 0.00 0.10 0.00 0.00 34.13 32.23 3ha1 s GLU 280 CO 0.24 0.47 1.24 -1.58 0.02 0.00 0.00 175.26 175.65 3ha1 s TRP 281 N -0.61 2.87 -0.19 1.61 0.52 -1.25 -0.48 118.94 121.41 3ha1 s TRP 281 Ca 0.09 1.03 -0.01 0.00 0.02 0.00 0.00 56.10 57.23 3ha1 s TRP 281 Cb -0.09 -3.63 0.01 0.00 -1.15 0.00 0.00 33.47 28.61 3ha1 s TRP 281 CO -0.00 -1.50 -0.15 0.42 0.02 0.00 0.00 176.95 175.75 3ha1 s ILE 282 N 3.78 2.52 0.12 2.03 -1.09 -0.05 -0.81 121.20 127.69 3ha1 s ILE 282 Ca 0.53 -0.79 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 3ha1 s ILE 282 Cb -0.18 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.57 3ha1 s ILE 282 CO 0.16 0.50 0.22 0.00 -1.23 0.00 0.00 174.94 174.60 3ha1 s ALA 283 N 1.29 3.89 -0.04 9.38 0.00 -0.23 -1.98 121.76 134.08 3ha1 s ALA 283 Ca 0.04 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.05 3ha1 s ALA 283 Cb -0.14 -1.71 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 3ha1 s ALA 283 CO -0.09 0.65 -0.16 0.99 0.00 0.00 0.00 175.76 177.15 3ha1 s THR 284 N -1.63 1.33 0.16 0.00 2.01 -0.08 -0.75 115.64 116.68 3ha1 s THR 284 Ca 0.34 -0.67 0.11 0.00 0.31 0.00 0.00 61.69 61.78 3ha1 s THR 284 Cb -0.12 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 3ha1 s THR 284 CO 0.27 0.39 -0.24 0.68 -0.69 0.00 0.00 174.62 175.03 3ha1 s VAL 285 N 0.02 2.21 -1.12 3.82 -7.23 -0.53 -0.52 120.40 117.05 3ha1 s VAL 285 Ca -0.03 -1.89 -0.04 0.00 -1.81 0.00 0.00 61.98 58.21 3ha1 s VAL 285 Cb -0.11 -2.00 0.27 0.00 0.56 0.00 0.00 36.38 35.10 3ha1 s VAL 285 CO 0.02 -0.07 1.72 0.00 -0.31 0.00 0.00 175.10 176.46 3ha1 n ALA 286 N 0.55 5.60 -3.26 1.32 0.00 -1.26 -2.59 120.51 120.88 3ha1 n ALA 286 Ca -0.15 -4.61 -0.14 0.00 0.00 0.00 0.00 53.44 48.54 3ha1 n ALA 286 Cb 0.55 -2.45 -0.09 0.00 0.00 0.00 0.00 19.45 17.46 3ha1 n ALA 286 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3ha1 s ILE 287 N -2.52 0.04 0.00 0.00 2.07 -0.57 -4.74 121.20 115.48 3ha1 s ILE 287 Ca 0.37 -0.35 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 3ha1 s ILE 287 Cb 0.11 -0.62 0.00 0.00 0.13 0.00 0.00 42.46 42.08 3ha1 s ILE 287 CO 0.01 -0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.46 3ha1 n GLY 288 N 1.56 2.36 0.24 1.50 0.00 -1.25 -2.31 105.19 107.30 3ha1 n GLY 288 Ca -0.20 -0.91 0.16 0.00 0.00 0.00 0.00 46.02 45.07 3ha1 n GLY 288 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ha1 h TYR 289 N 0.61 0.00 0.00 1.61 -0.00 -0.79 0.46 116.97 118.86 3ha1 h TYR 289 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3ha1 h TYR 289 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3ha1 h TYR 289 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 3ha1 h ALA 290 N 2.07 1.00 -0.01 0.10 0.00 -1.27 -0.84 119.26 120.31 3ha1 h ALA 290 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ha1 h ALA 290 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ha1 h ALA 290 CO 0.00 0.00 -0.08 -0.25 0.00 0.00 0.00 179.25 178.92 3ha1 n ASP 291 N -2.97 0.90 0.00 0.00 8.00 0.13 -4.72 116.55 117.89 3ha1 n ASP 291 Ca 0.01 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.47 3ha1 n ASP 291 Cb 0.32 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 3ha1 n ASP 291 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ha1 n GLY 292 N 1.21 0.67 3.42 0.44 0.00 -0.32 -1.38 105.19 109.23 3ha1 n GLY 292 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 3ha1 n GLY 292 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ha1 s TRP 293 N -2.00 3.17 0.54 1.61 -0.11 -1.09 -4.77 118.94 116.30 3ha1 s TRP 293 Ca 0.00 -1.35 -0.05 0.00 1.22 0.00 0.00 56.10 55.92 3ha1 s TRP 293 Cb 0.00 -4.16 -0.01 0.00 -1.50 0.00 0.00 33.47 27.81 3ha1 s TRP 293 CO 0.00 -1.38 0.84 -0.51 -4.62 0.00 0.00 176.95 171.28 3ha1 s LEU 294 N 2.36 3.40 0.54 5.86 1.43 -1.26 -2.23 118.68 128.77 3ha1 s LEU 294 Ca 0.26 0.72 0.20 0.00 -1.03 0.00 0.00 54.13 54.28 3ha1 s LEU 294 Cb -0.10 -3.60 1.43 0.00 0.03 0.00 0.00 46.19 43.95 3ha1 s LEU 294 CO -0.05 -0.88 2.17 0.03 0.23 0.00 0.00 176.35 177.85 3ha1 h ARG 295 N 0.01 0.00 0.00 1.70 3.08 -1.95 -0.09 114.38 117.13 3ha1 h ARG 295 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3ha1 h ARG 295 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3ha1 h ARG 295 CO 0.60 0.02 0.00 2.89 -1.07 0.00 0.00 179.97 182.41 3ha1 n ARG 296 N -4.29 0.32 -0.00 0.04 1.85 -1.26 -1.75 116.66 111.56 3ha1 n ARG 296 Ca -0.03 0.09 0.14 0.00 -1.00 0.00 0.00 57.85 57.06 3ha1 n ARG 296 Cb 0.10 -1.50 0.66 0.00 -1.05 0.00 0.00 32.46 30.67 3ha1 n ARG 296 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3ha1 n LEU 297 N -1.19 0.96 -4.64 2.89 4.77 -0.05 -4.76 117.00 114.98 3ha1 n LEU 297 Ca 0.09 -0.33 -0.47 0.00 -0.03 0.00 0.00 56.01 55.27 3ha1 n LEU 297 Cb 0.10 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 3ha1 n LEU 297 CO 0.11 0.16 0.99 1.67 -1.33 0.00 0.00 177.39 179.00 3ha1 n GLN 298 N -0.24 1.79 0.00 3.23 7.27 -0.72 -1.05 117.38 127.66 3ha1 n GLN 298 Ca 0.20 0.64 0.00 0.00 0.07 0.00 0.00 57.00 57.92 3ha1 n GLN 298 Cb 0.26 -2.30 0.00 0.00 2.41 0.00 0.00 30.24 30.61 3ha1 n GLN 298 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ha1 n GLY 299 N 2.52 2.43 3.76 1.69 0.00 -0.25 -5.00 105.19 110.34 3ha1 n GLY 299 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3ha1 n GLY 299 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ha1 s PHE 300 N -2.23 2.71 -0.27 1.61 5.36 -0.22 -4.55 117.98 120.39 3ha1 s PHE 300 Ca 0.00 1.49 -0.11 0.00 -0.96 0.00 0.00 56.93 57.35 3ha1 s PHE 300 Cb 0.00 -3.50 -0.05 0.00 -0.34 0.00 0.00 43.02 39.13 3ha1 s PHE 300 CO 0.00 -1.90 0.18 -1.21 -1.46 0.00 0.00 175.22 170.83 3ha1 s GLU 301 N -2.76 3.99 0.59 10.12 2.02 -1.25 -1.12 118.70 130.29 3ha1 s GLU 301 Ca 0.66 -0.30 0.02 0.00 0.02 0.00 0.00 54.97 55.37 3ha1 s GLU 301 Cb -0.32 -3.62 0.11 0.00 0.10 0.00 0.00 34.13 30.41 3ha1 s GLU 301 CO 0.38 -0.10 0.81 1.33 0.02 0.00 0.00 175.26 177.71 3ha1 n VAL 302 N 4.79 0.00 -4.37 2.63 0.24 0.79 -4.68 118.33 117.73 3ha1 n VAL 302 Ca -0.14 -1.44 -0.34 0.00 -2.04 0.00 0.00 64.34 60.38 3ha1 n VAL 302 Cb 0.52 -0.85 -0.12 0.00 -1.47 0.00 0.00 33.84 31.92 3ha1 n VAL 302 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ha1 s LEU 303 N 0.00 3.31 -0.05 1.34 1.43 -0.22 -0.83 118.68 123.65 3ha1 s LEU 303 Ca 0.56 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.55 3ha1 s LEU 303 Cb -0.03 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.41 3ha1 s LEU 303 CO 0.36 0.18 0.00 -0.69 0.23 0.00 0.00 176.35 176.43 3ha1 s VAL 304 N 0.32 0.29 -1.53 -1.59 1.01 0.31 -1.27 120.40 117.94 3ha1 s VAL 304 Ca -0.03 0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 3ha1 s VAL 304 Cb -0.14 -0.43 0.09 0.00 0.00 0.00 0.00 36.38 35.90 3ha1 s VAL 304 CO 0.03 0.22 0.92 0.59 0.00 0.00 0.00 175.10 176.86 3ha1 n ASN 305 N 4.79 -4.18 0.00 3.32 3.02 -1.26 -1.17 115.26 119.79 3ha1 n ASN 305 Ca -0.13 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 3ha1 n ASN 305 Cb 0.50 -3.73 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 3ha1 n ASN 305 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ha1 n GLY 306 N -1.66 0.69 3.59 7.41 0.00 -1.26 -5.01 105.19 108.95 3ha1 n GLY 306 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ha1 n GLY 306 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ha1 s LYS 307 N -0.27 2.71 -0.01 1.61 1.02 -0.32 -4.73 119.74 119.75 3ha1 s LYS 307 Ca 0.00 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 3ha1 s LYS 307 Cb 0.00 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 3ha1 s LYS 307 CO 0.00 0.65 0.99 1.03 -0.92 0.00 0.00 175.35 177.10 3ha1 s ARG 308 N -0.99 4.54 0.07 1.68 0.52 -1.26 -0.53 118.95 122.99 3ha1 s ARG 308 Ca 0.14 1.42 0.04 0.00 -0.52 0.00 0.00 55.73 56.81 3ha1 s ARG 308 Cb -0.11 -3.47 -0.03 0.00 0.52 0.00 0.00 34.95 31.86 3ha1 s ARG 308 CO 0.03 -0.08 -0.11 0.14 0.02 0.00 0.00 175.30 175.30 3ha1 s VAL 309 N 1.12 0.88 0.21 3.52 -7.23 -0.01 -4.93 120.40 113.97 3ha1 s VAL 309 Ca 0.52 -1.32 -0.20 0.00 -1.81 0.00 0.00 61.98 59.17 3ha1 s VAL 309 Cb -0.21 -1.00 -0.08 0.00 0.56 0.00 0.00 36.38 35.65 3ha1 s VAL 309 CO 0.27 -0.36 0.72 -2.16 -0.31 0.00 0.00 175.10 173.26 3ha1 s PRO 310 N -1.97 4.28 0.03 4.82 0.04 -1.26 -0.15 135.00 140.80 3ha1 s PRO 310 Ca -0.03 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 3ha1 s PRO 310 Cb -0.08 -2.93 -0.06 0.00 0.04 0.00 0.00 34.50 31.47 3ha1 s PRO 310 CO 0.01 0.42 1.36 0.42 0.04 0.00 0.00 177.00 179.26 3ha1 s ILE 311 N -1.47 3.69 0.04 0.56 1.01 -0.27 -1.83 121.20 122.92 3ha1 s ILE 311 Ca 0.42 1.13 0.09 0.00 0.00 0.00 0.00 60.65 62.28 3ha1 s ILE 311 Cb -0.17 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 3ha1 s ILE 311 CO 0.21 0.03 -0.25 0.68 0.00 0.00 0.00 174.94 175.61 3ha1 s VAL 312 N 1.96 1.99 0.31 2.92 -7.23 0.09 -1.09 120.40 119.34 3ha1 s VAL 312 Ca 0.63 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 3ha1 s VAL 312 Cb -0.32 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 34.92 3ha1 s VAL 312 CO 0.27 0.34 0.00 0.61 -0.31 0.00 0.00 175.10 176.01 3ha1 n GLY 313 N 1.87 -2.40 3.77 2.32 0.00 -1.26 -4.07 105.19 105.41 3ha1 n GLY 313 Ca -0.17 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 3ha1 n GLY 313 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ha1 s ARG 314 N -2.80 4.15 0.27 1.61 1.81 -1.26 -4.82 118.95 117.90 3ha1 s ARG 314 Ca 0.00 2.51 -0.29 0.00 -1.72 0.00 0.00 55.73 56.23 3ha1 s ARG 314 Cb 0.00 -3.01 -0.09 0.00 -0.45 0.00 0.00 34.95 31.40 3ha1 s ARG 314 CO 0.00 -0.51 1.18 0.08 -0.68 0.00 0.00 175.30 175.36 3ha1 s VAL 315 N -0.72 3.33 0.50 3.52 1.01 -1.26 -4.64 120.40 122.13 3ha1 s VAL 315 Ca 0.56 1.27 0.05 0.00 0.00 0.00 0.00 61.98 63.86 3ha1 s VAL 315 Cb -0.46 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.16 3ha1 s VAL 315 CO 0.56 0.28 0.42 0.35 0.00 0.00 0.00 175.10 176.71 3ha1 n THR 316 N 1.47 0.00 0.21 3.92 -2.24 -0.39 -4.83 114.28 112.42 3ha1 n THR 316 Ca 0.01 -1.96 0.06 0.00 -2.27 0.00 0.00 64.05 59.89 3ha1 n THR 316 Cb 0.44 -0.13 0.56 0.00 -2.10 0.00 0.00 70.33 69.10 3ha1 n THR 316 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 3ha1 h MET 317 N 0.00 0.09 0.00 -0.78 4.05 -1.94 -2.03 114.93 114.32 3ha1 h MET 317 Ca -0.31 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 3ha1 h MET 317 Cb 1.16 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 3ha1 h MET 317 CO 0.48 0.12 0.00 -0.25 0.23 0.00 0.00 176.91 177.49 3ha1 n ASP 318 N -4.47 0.36 -3.66 1.39 8.00 -1.26 -0.89 116.55 116.03 3ha1 n ASP 318 Ca -0.02 -0.97 -0.12 0.00 0.71 0.00 0.00 54.79 54.39 3ha1 n ASP 318 Cb 0.13 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 3ha1 n ASP 318 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3ha1 s GLN 319 N -0.01 0.96 0.19 -1.24 -0.21 -0.98 -1.52 119.66 116.85 3ha1 s GLN 319 Ca 0.00 -0.47 -0.08 0.00 0.02 0.00 0.00 55.36 54.82 3ha1 s GLN 319 Cb 0.00 0.43 -0.01 0.00 1.00 0.00 0.00 33.01 34.42 3ha1 s GLN 319 CO 0.00 -0.34 0.30 -0.59 -2.12 0.00 0.00 175.29 172.53 3ha1 s PHE 320 N -2.88 0.54 0.17 0.91 -0.71 -1.07 -1.26 117.98 113.68 3ha1 s PHE 320 Ca -0.03 -0.88 0.10 0.00 -1.04 0.00 0.00 56.93 55.09 3ha1 s PHE 320 Cb 0.00 -0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 3ha1 s PHE 320 CO -0.05 -0.77 -0.18 -1.64 -1.34 0.00 0.00 175.22 171.24 3ha1 s MET 321 N -4.02 1.74 -0.00 1.99 -1.94 -1.26 -1.45 119.30 114.36 3ha1 s MET 321 Ca 0.22 -1.37 0.01 0.00 -1.71 0.00 0.00 55.69 52.85 3ha1 s MET 321 Cb 0.03 -2.00 -0.00 0.00 2.01 0.00 0.00 34.83 34.87 3ha1 s MET 321 CO 0.04 0.43 -0.03 0.42 -0.01 0.00 0.00 175.02 175.87 3ha1 s ILE 322 N -1.56 0.24 -0.38 2.53 1.01 0.07 -0.73 121.20 122.39 3ha1 s ILE 322 Ca 0.21 -0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.55 3ha1 s ILE 322 Cb -0.09 -0.21 0.01 0.00 0.01 0.00 0.00 42.46 42.18 3ha1 s ILE 322 CO 0.11 0.06 0.47 -2.28 0.00 0.00 0.00 174.94 173.31 3ha1 s HIS 323 N -0.08 3.17 0.05 3.97 5.65 -0.76 -1.06 115.29 126.22 3ha1 s HIS 323 Ca 0.01 -0.06 0.01 0.00 0.25 0.00 0.00 55.06 55.27 3ha1 s HIS 323 Cb -0.01 -2.91 -0.04 0.00 -1.18 0.00 0.00 32.58 28.43 3ha1 s HIS 323 CO -0.00 -0.61 0.14 -0.51 -0.65 0.00 0.00 174.74 173.11 3ha1 s LEU 324 N 2.29 4.07 0.40 8.88 1.43 0.01 -4.05 118.68 131.71 3ha1 s LEU 324 Ca 0.16 0.15 0.20 0.00 -1.03 0.00 0.00 54.13 53.61 3ha1 s LEU 324 Cb -0.16 -2.63 0.76 0.00 0.03 0.00 0.00 46.19 44.19 3ha1 s LEU 324 CO 0.14 0.20 1.76 1.55 0.23 0.00 0.00 176.35 180.23 3ha1 h PRO 325 N 3.41 0.00 -4.41 1.29 0.13 -1.97 -3.32 132.00 127.13 3ha1 h PRO 325 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 3ha1 h PRO 325 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.13 3ha1 h PRO 325 CO 0.69 0.32 -0.70 0.00 -0.23 0.00 0.00 178.00 178.09 3ha1 s GLU 327 N -3.29 4.12 0.30 0.00 2.12 -1.26 -4.96 118.70 115.73 3ha1 s GLU 327 Ca 0.04 2.56 0.06 0.00 0.36 0.00 0.00 54.97 57.99 3ha1 s GLU 327 Cb 0.02 -3.00 -0.06 0.00 0.26 0.00 0.00 34.13 31.35 3ha1 s GLU 327 CO -0.06 -0.57 -0.02 0.14 -0.54 0.00 0.00 175.26 174.21 3ha1 s VAL 328 N -0.54 1.52 0.55 3.70 -7.23 -1.26 -5.14 120.40 111.99 3ha1 s VAL 328 Ca 0.58 -2.08 -0.18 0.00 -1.81 0.00 0.00 61.98 58.50 3ha1 s VAL 328 Cb -0.47 -2.58 -0.06 0.00 0.56 0.00 0.00 36.38 33.83 3ha1 s VAL 328 CO 0.55 -0.20 1.04 -2.84 -0.31 0.00 0.00 175.10 173.35 3ha1 s PRO 329 N -3.78 3.55 0.54 4.82 0.02 -1.26 -4.94 135.00 133.95 3ha1 s PRO 329 Ca 0.32 1.25 -0.22 0.00 0.02 0.00 0.00 61.00 62.36 3ha1 s PRO 329 Cb 0.06 -2.06 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 3ha1 s PRO 329 CO 0.13 -0.63 1.36 -0.51 -0.33 0.00 0.00 177.00 177.03 3ha1 s LEU 330 N -4.08 3.87 0.00 -5.54 1.43 -1.26 -2.16 118.68 110.94 3ha1 s LEU 330 Ca 0.65 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 56.52 3ha1 s LEU 330 Cb -0.16 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 41.82 3ha1 s LEU 330 CO 0.30 -1.53 0.00 0.61 0.23 0.00 0.00 176.35 175.96 3ha1 n GLY 331 N 0.71 1.11 3.76 -3.19 0.00 0.33 -4.96 105.19 102.95 3ha1 n GLY 331 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3ha1 n GLY 331 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ha1 s THR 332 N -2.90 2.39 0.24 2.61 2.01 -0.92 -4.51 115.64 114.56 3ha1 s THR 332 Ca 0.00 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 3ha1 s THR 332 Cb 0.00 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 69.19 3ha1 s THR 332 CO 0.00 0.07 1.34 -0.75 -0.69 0.00 0.00 174.62 174.59 3ha1 s LYS 333 N -1.15 4.36 -0.11 4.92 2.20 -1.26 -0.73 119.74 127.96 3ha1 s LYS 333 Ca 0.56 2.15 0.01 0.00 -0.36 0.00 0.00 55.97 58.32 3ha1 s LYS 333 Cb -0.44 -3.15 0.02 0.00 -1.51 0.00 0.00 37.83 32.75 3ha1 s LYS 333 CO 0.51 -0.28 -0.11 0.08 -0.36 0.00 0.00 175.35 175.20 3ha1 s VAL 334 N -0.18 1.22 -0.16 4.02 1.01 -0.52 -4.26 120.40 121.53 3ha1 s VAL 334 Ca 0.56 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 3ha1 s VAL 334 Cb -0.38 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 3ha1 s VAL 334 CO 0.42 0.39 -0.06 -0.89 0.00 0.00 0.00 175.10 174.96 3ha1 s THR 335 N 1.34 3.54 -0.24 3.92 2.01 -0.39 -1.12 115.64 124.70 3ha1 s THR 335 Ca -0.01 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.53 3ha1 s THR 335 Cb -0.14 -2.55 -0.15 0.00 0.01 0.00 0.00 72.50 69.67 3ha1 s THR 335 CO -0.05 0.49 -0.21 0.18 -0.69 0.00 0.00 174.62 174.33 3ha1 n LEU 336 N 3.81 2.93 -3.88 4.42 4.32 0.26 -1.06 117.00 127.79 3ha1 n LEU 336 Ca -0.18 -0.11 -0.22 0.00 -0.02 0.00 0.00 56.01 55.48 3ha1 n LEU 336 Cb 0.52 -0.82 -0.17 0.00 -1.62 0.00 0.00 43.42 41.34 3ha1 n LEU 336 CO 0.31 0.88 -0.42 -0.63 -1.22 0.00 0.00 177.39 176.32 3ha1 s ILE 337 N -2.47 0.66 -3.57 -0.08 1.01 -0.99 -4.88 121.20 110.87 3ha1 s ILE 337 Ca -0.32 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3ha1 s ILE 337 Cb 0.08 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.86 3ha1 s ILE 337 CO 0.54 0.27 0.00 0.61 0.00 0.00 0.00 174.94 176.36 3ha1 n GLY 338 N 4.41 0.80 3.69 6.18 0.00 0.18 -0.12 105.19 120.33 3ha1 n GLY 338 Ca -0.19 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 3ha1 n GLY 338 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ha1 s ARG 339 N -1.43 3.18 -0.17 1.61 3.52 -1.26 -1.13 118.95 123.27 3ha1 s ARG 339 Ca 0.00 -0.38 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 3ha1 s ARG 339 Cb 0.00 -2.89 0.05 0.00 -1.56 0.00 0.00 34.95 30.56 3ha1 s ARG 339 CO 0.00 0.64 0.04 -0.65 -0.81 0.00 0.00 175.30 174.52 3ha1 s GLN 340 N -0.69 0.52 7.63 5.12 -0.21 0.19 -5.00 119.66 127.22 3ha1 s GLN 340 Ca 0.11 -0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.24 3ha1 s GLN 340 Cb -0.12 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.05 3ha1 s GLN 340 CO 0.02 -0.58 0.00 0.41 -2.12 0.00 0.00 175.29 173.02 3ha1 n GLY 341 N 5.11 3.03 0.11 3.09 0.00 -1.26 -1.60 105.19 113.67 3ha1 n GLY 341 Ca -0.08 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.87 3ha1 n GLY 341 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ha1 h ASP 342 N 0.00 0.00 -3.48 1.61 3.32 -1.98 -3.46 116.42 112.43 3ha1 h ASP 342 Ca 0.00 -0.08 -0.53 0.00 0.02 0.00 0.00 57.03 56.44 3ha1 h ASP 342 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3ha1 h ASP 342 CO 0.00 0.04 0.11 -1.61 -1.72 0.00 0.00 179.24 176.06 3ha1 s GLU 343 N -3.17 4.40 -0.04 3.56 0.41 -0.63 -5.08 118.70 118.16 3ha1 s GLU 343 Ca 0.07 0.99 -0.01 0.00 -0.41 0.00 0.00 54.97 55.61 3ha1 s GLU 343 Cb 0.11 -3.15 0.03 0.00 -1.78 0.00 0.00 34.13 29.35 3ha1 s GLU 343 CO 0.67 0.54 0.03 -0.47 -0.49 0.00 0.00 175.26 175.54 3ha1 s TYR 344 N -1.25 0.22 -0.32 1.61 5.04 -1.26 -0.64 117.35 120.75 3ha1 s TYR 344 Ca 0.36 0.10 -0.11 0.00 -2.44 0.00 0.00 57.07 54.99 3ha1 s TYR 344 Cb -0.21 -0.48 -0.01 0.00 0.35 0.00 0.00 41.96 41.61 3ha1 s TYR 344 CO 0.23 -0.18 0.19 0.42 -1.34 0.00 0.00 175.55 174.86 3ha1 s ILE 345 N 1.68 4.85 0.40 3.14 1.01 -0.28 -4.97 121.20 127.03 3ha1 s ILE 345 Ca -0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 3ha1 s ILE 345 Cb -0.13 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 3ha1 s ILE 345 CO -0.03 0.03 0.72 -0.94 0.00 0.00 0.00 174.94 174.72 3ha1 s SER 346 N 1.65 6.43 0.49 3.58 1.04 -1.26 -0.64 113.70 124.99 3ha1 s SER 346 Ca 0.05 0.96 0.19 0.00 0.48 0.00 0.00 55.95 57.64 3ha1 s SER 346 Cb -0.17 -2.25 1.24 0.00 0.10 0.00 0.00 66.02 64.94 3ha1 s SER 346 CO 0.08 -0.40 2.02 0.00 0.98 0.00 0.00 173.24 175.92 3ha1 h ALA 347 N 1.06 2.24 -0.48 5.32 0.00 -1.94 -2.01 119.26 123.45 3ha1 h ALA 347 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ha1 h ALA 347 Cb 1.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3ha1 h ALA 347 CO 0.64 -0.35 0.30 1.15 0.00 0.00 0.00 179.25 180.98 3ha1 h THR 348 N 0.14 1.14 -0.51 0.00 2.02 -1.92 -0.30 112.91 113.48 3ha1 h THR 348 Ca 0.21 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 3ha1 h THR 348 Cb 0.66 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3ha1 h THR 348 CO -0.03 0.14 0.31 -0.08 0.37 0.00 0.00 175.52 176.23 3ha1 h GLU 349 N 0.64 0.70 -0.68 6.66 4.81 -1.75 0.14 114.58 125.10 3ha1 h GLU 349 Ca 0.17 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3ha1 h GLU 349 Cb -0.03 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 3ha1 h GLU 349 CO -0.03 0.51 0.43 0.28 -0.73 0.00 0.00 179.01 179.47 3ha1 h VAL 350 N 0.69 1.11 -0.52 0.32 2.07 -1.33 -1.89 116.25 116.70 3ha1 h VAL 350 Ca 0.18 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 3ha1 h VAL 350 Cb -0.01 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 3ha1 h VAL 350 CO -0.03 0.16 0.12 0.00 0.02 0.00 0.00 177.57 177.83 3ha1 h ALA 351 N 1.28 0.69 -0.49 1.67 0.00 -0.51 -1.48 119.26 120.42 3ha1 h ALA 351 Ca 0.27 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3ha1 h ALA 351 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3ha1 h ALA 351 CO -0.10 0.39 0.08 0.93 0.00 0.00 0.00 179.25 180.56 3ha1 h GLU 352 N 0.73 0.81 -0.87 0.00 5.08 -0.48 0.21 114.58 120.06 3ha1 h GLU 352 Ca 0.16 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3ha1 h GLU 352 Cb 0.35 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3ha1 h GLU 352 CO 0.00 0.81 0.54 -0.92 -1.00 0.00 0.00 179.01 178.45 3ha1 h TYR 353 N 0.69 1.13 0.00 4.33 3.20 -1.28 -2.39 116.97 122.64 3ha1 h TYR 353 Ca 0.15 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3ha1 h TYR 353 Cb 0.39 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3ha1 h TYR 353 CO 0.03 0.74 0.00 0.43 -1.64 0.00 0.00 178.16 177.71 3ha1 n SER 354 N -4.38 0.26 -1.85 -2.11 7.64 -0.56 -4.92 113.62 107.71 3ha1 n SER 354 Ca 0.10 0.53 -0.11 0.00 1.01 0.00 0.00 58.87 60.40 3ha1 n SER 354 Cb 0.05 -0.60 0.03 0.00 -1.01 0.00 0.00 64.21 62.68 3ha1 n SER 354 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ha1 n GLY 355 N 1.04 0.20 0.00 0.23 0.00 -0.03 -5.01 105.19 101.63 3ha1 n GLY 355 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3ha1 n GLY 355 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3ha1 n THR 356 N -3.74 0.00 -4.38 2.61 5.66 0.52 -5.03 114.28 109.93 3ha1 n THR 356 Ca -0.01 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.77 3ha1 n THR 356 Cb 0.54 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 3ha1 n THR 356 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3ha1 s ILE 357 N -0.10 2.01 0.31 1.09 -4.36 -1.26 -4.16 121.20 114.73 3ha1 s ILE 357 Ca 0.00 -2.18 0.03 0.00 -0.26 0.00 0.00 60.65 58.24 3ha1 s ILE 357 Cb 0.00 -2.07 0.29 0.00 1.25 0.00 0.00 42.46 41.93 3ha1 s ILE 357 CO 0.00 -0.44 1.87 -0.55 0.24 0.00 0.00 174.94 176.06 3ha1 h ASN 358 N 2.70 0.84 -0.81 4.36 7.08 -1.88 -0.93 115.58 126.94 3ha1 h ASN 358 Ca -0.40 0.03 0.19 0.00 -3.08 0.00 0.00 56.30 53.04 3ha1 h ASN 358 Cb 1.23 -0.14 -0.12 0.00 -2.08 0.00 0.00 38.32 37.20 3ha1 h ASN 358 CO 0.58 0.48 0.23 1.88 -2.08 0.00 0.00 177.43 178.51 3ha1 h TYR 359 N 0.92 0.35 -0.02 4.14 -1.99 -1.95 -2.06 116.97 116.37 3ha1 h TYR 359 Ca 0.44 0.04 -0.21 0.00 2.00 0.00 0.00 58.73 61.01 3ha1 h TYR 359 Cb 0.45 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.15 3ha1 h TYR 359 CO -0.00 -0.11 -0.88 1.49 -0.00 0.00 0.00 178.16 178.66 3ha1 h GLU 360 N 0.28 0.35 0.29 4.88 4.81 -1.59 -2.46 114.58 121.14 3ha1 h GLU 360 Ca 0.48 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3ha1 h GLU 360 Cb 0.87 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3ha1 h GLU 360 CO -0.56 1.03 -0.15 0.82 -0.73 0.00 0.00 179.01 179.43 3ha1 h ILE 361 N 0.21 0.70 -0.28 2.32 1.08 -1.27 -2.59 117.51 117.67 3ha1 h ILE 361 Ca -0.06 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.26 3ha1 h ILE 361 Cb 1.50 0.70 -0.00 0.00 -3.07 0.00 0.00 36.82 35.94 3ha1 h ILE 361 CO 0.15 0.00 -0.42 0.16 -0.69 0.00 0.00 178.15 177.35 3ha1 h ILE 362 N -0.40 1.29 0.00 -0.67 3.07 -1.48 -3.22 117.51 116.11 3ha1 h ILE 362 Ca -0.04 -1.61 -0.05 0.00 1.55 0.00 0.00 64.86 64.71 3ha1 h ILE 362 Cb 0.31 1.64 -0.01 0.00 -0.27 0.00 0.00 36.82 38.50 3ha1 h ILE 362 CO 0.06 0.52 -0.25 0.74 -1.05 0.00 0.00 178.15 178.16 3ha1 h THR 363 N 0.53 0.69 -0.50 0.16 2.02 -1.46 -3.07 112.91 111.28 3ha1 h THR 363 Ca 0.03 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.09 3ha1 h THR 363 Cb 1.01 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 3ha1 h THR 363 CO 0.10 0.25 0.00 0.35 0.37 0.00 0.00 175.52 176.58 3ha1 n THR 364 N -3.52 0.67 -2.05 3.16 -2.24 -0.98 -4.31 114.28 105.01 3ha1 n THR 364 Ca -0.01 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 3ha1 n THR 364 Cb 0.41 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 3ha1 n THR 364 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ha1 s ILE 365 N -1.33 3.61 0.77 2.28 1.01 -1.16 -4.16 121.20 122.22 3ha1 s ILE 365 Ca 0.35 0.78 -0.11 0.00 0.00 0.00 0.00 60.65 61.66 3ha1 s ILE 365 Cb 0.18 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 39.21 3ha1 s ILE 365 CO 0.24 -0.06 1.08 -0.55 0.00 0.00 0.00 174.94 175.65 3ha1 s SER 366 N 3.09 4.59 0.12 3.58 0.15 -0.48 -4.88 113.70 119.88 3ha1 s SER 366 Ca 0.71 1.67 0.14 0.00 0.70 0.00 0.00 55.95 59.17 3ha1 s SER 366 Cb -0.33 -2.42 0.63 0.00 -1.71 0.00 0.00 66.02 62.20 3ha1 s SER 366 CO 0.28 -1.96 1.42 2.22 1.20 0.00 0.00 173.24 176.41 3ha1 n PHE 367 N -3.46 0.33 0.24 3.44 -0.00 -1.26 -1.83 117.46 114.91 3ha1 n PHE 367 Ca 0.08 0.15 0.09 0.00 -0.00 0.00 0.00 57.45 57.77 3ha1 n PHE 367 Cb 0.54 -0.74 0.60 0.00 -0.00 0.00 0.00 39.48 39.88 3ha1 n PHE 367 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ha1 h ARG 368 N 0.00 0.00 -5.28 3.97 3.08 -1.90 -3.38 114.38 110.87 3ha1 h ARG 368 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3ha1 h ARG 368 Cb 0.15 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.07 3ha1 h ARG 368 CO 0.00 0.18 -0.35 0.08 -1.07 0.00 0.00 179.97 178.81 3ha1 s VAL 369 N -4.28 5.28 0.48 2.04 1.01 -0.76 -4.89 120.40 119.28 3ha1 s VAL 369 Ca -0.03 0.45 -0.22 0.00 0.00 0.00 0.00 61.98 62.18 3ha1 s VAL 369 Cb 0.14 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 3ha1 s VAL 369 CO 0.64 0.31 1.19 -2.84 0.00 0.00 0.00 175.10 174.39 3ha1 s PRO 370 N 1.10 3.63 -0.15 2.72 0.02 -1.26 -4.80 135.00 136.25 3ha1 s PRO 370 Ca 0.14 1.82 -0.05 0.00 0.02 0.00 0.00 61.00 62.92 3ha1 s PRO 370 Cb -0.14 -2.34 -0.03 0.00 0.02 0.00 0.00 34.50 32.00 3ha1 s PRO 370 CO 0.06 -0.67 0.02 1.03 -0.33 0.00 0.00 177.00 177.10 3ha1 s ARG 371 N -2.79 3.63 -0.17 5.54 3.00 -0.39 -0.53 118.95 127.24 3ha1 s ARG 371 Ca 0.66 -0.40 -0.03 0.00 0.00 0.00 0.00 55.73 55.95 3ha1 s ARG 371 Cb -0.30 -3.02 -0.02 0.00 0.00 0.00 0.00 34.95 31.61 3ha1 s ARG 371 CO 0.36 0.39 -0.04 0.42 0.00 0.00 0.00 175.30 176.42 3ha1 s ILE 372 N 0.01 3.75 -0.19 1.52 1.01 0.18 -1.51 121.20 125.97 3ha1 s ILE 372 Ca 0.04 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 3ha1 s ILE 372 Cb -0.13 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 3ha1 s ILE 372 CO 0.02 0.48 0.06 -0.36 0.00 0.00 0.00 174.94 175.14 3ha1 s PHE 373 N 0.57 3.22 -0.19 3.97 0.08 -0.19 0.00 117.98 125.44 3ha1 s PHE 373 Ca -0.03 0.01 -0.04 0.00 0.12 0.00 0.00 56.93 56.99 3ha1 s PHE 373 Cb -0.14 -2.10 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 3ha1 s PHE 373 CO 0.03 0.08 -0.03 0.42 -0.10 0.00 0.00 175.22 175.62 3ha1 s ILE 374 N 0.55 3.65 -0.11 0.64 -1.09 0.26 -1.59 121.20 123.50 3ha1 s ILE 374 Ca 0.03 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 3ha1 s ILE 374 Cb -0.13 -2.63 0.02 0.00 -1.58 0.00 0.00 42.46 38.14 3ha1 s ILE 374 CO 0.01 0.45 -0.11 -0.60 -1.23 0.00 0.00 174.94 173.45 3ha1 s ARG 375 N 0.99 1.85 -1.55 2.79 6.06 -0.74 -0.45 118.95 127.90 3ha1 s ARG 375 Ca 0.01 -0.40 -0.03 0.00 -2.50 0.00 0.00 55.73 52.80 3ha1 s ARG 375 Cb -0.15 -1.72 0.01 0.00 0.06 0.00 0.00 34.95 33.16 3ha1 s ARG 375 CO 0.01 -0.17 0.33 0.09 -2.50 0.00 0.00 175.30 173.07 3ha1 n ASN 376 N 4.55 -5.55 0.00 -2.12 3.02 -1.26 -1.54 115.26 112.36 3ha1 n ASN 376 Ca -0.17 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 3ha1 n ASN 376 Cb 0.51 -4.56 0.00 0.00 -0.61 0.00 0.00 39.78 35.12 3ha1 n ASN 376 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ha1 n GLY 377 N -1.24 0.56 3.33 7.41 0.00 -1.26 -5.04 105.19 108.95 3ha1 n GLY 377 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 3ha1 n GLY 377 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ha1 s LYS 378 N -0.05 1.54 0.16 1.61 0.00 -0.59 -5.08 119.74 117.33 3ha1 s LYS 378 Ca 0.00 -1.14 -0.31 0.00 0.00 0.00 0.00 55.97 54.52 3ha1 s LYS 378 Cb 0.00 -1.79 -0.09 0.00 0.00 0.00 0.00 37.83 35.95 3ha1 s LYS 378 CO 0.00 0.45 1.42 0.08 0.00 0.00 0.00 175.35 177.30 3ha1 s VAL 379 N -0.90 3.04 -0.01 1.79 1.01 -1.26 -1.80 120.40 122.27 3ha1 s VAL 379 Ca 0.11 0.78 0.07 0.00 0.00 0.00 0.00 61.98 62.94 3ha1 s VAL 379 Cb -0.10 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 3ha1 s VAL 379 CO 0.03 0.08 0.14 1.33 0.00 0.00 0.00 175.10 176.68 3ha1 n VAL 380 N 3.50 0.01 -3.61 2.92 0.24 -0.62 -4.93 118.33 115.84 3ha1 n VAL 380 Ca 0.10 -0.15 -0.12 0.00 -2.04 0.00 0.00 64.34 62.13 3ha1 n VAL 380 Cb 0.41 0.32 -0.07 0.00 -1.47 0.00 0.00 33.84 33.03 3ha1 n VAL 380 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3ha1 s GLU 381 N -2.45 0.72 -0.09 7.34 2.12 -1.24 -5.04 118.70 120.05 3ha1 s GLU 381 Ca -0.02 0.63 0.04 0.00 0.36 0.00 0.00 54.97 55.98 3ha1 s GLU 381 Cb 0.04 0.35 -0.00 0.00 0.26 0.00 0.00 34.13 34.77 3ha1 s GLU 381 CO 0.27 -0.13 -0.24 0.08 -0.54 0.00 0.00 175.26 174.70 3ha1 s VAL 382 N -0.11 2.07 -0.21 3.70 1.01 -1.26 -1.02 120.40 124.58 3ha1 s VAL 382 Ca -0.01 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 3ha1 s VAL 382 Cb -0.04 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3ha1 s VAL 382 CO -0.00 0.56 -0.07 -0.63 0.00 0.00 0.00 175.10 174.96 3ha1 s ILE 383 N 0.27 3.15 -0.44 2.22 1.01 -0.57 -4.59 121.20 122.26 3ha1 s ILE 383 Ca -0.17 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 59.95 3ha1 s ILE 383 Cb -0.17 -2.41 0.12 0.00 0.01 0.00 0.00 42.46 40.00 3ha1 s ILE 383 CO 0.08 0.45 0.17 0.21 0.00 0.00 0.00 174.94 175.85 3ha1 s ASN 384 N 1.38 4.59 0.54 3.58 3.84 -1.26 -1.27 114.94 126.34 3ha1 s ASN 384 Ca 0.05 -2.59 0.24 0.00 0.21 0.00 0.00 52.86 50.77 3ha1 s ASN 384 Cb -0.14 -1.65 1.43 0.00 -0.55 0.00 0.00 41.25 40.33 3ha1 s ASN 384 CO -0.04 -0.32 2.04 1.88 -2.79 0.00 0.00 177.10 177.87 3ha1 h TYR 385 N 7.08 0.00 0.00 0.43 0.99 -1.87 -0.93 116.97 122.66 3ha1 h TYR 385 Ca -0.06 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.63 3ha1 h TYR 385 Cb 0.96 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.68 3ha1 h TYR 385 CO 0.50 0.00 -0.21 -0.07 -0.00 0.00 0.00 178.16 178.39 3ha1 h LEU 386 N 0.00 0.00 -1.58 3.88 3.38 -1.90 -1.46 115.31 117.62 3ha1 h LEU 386 Ca 0.17 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.23 3ha1 h LEU 386 Cb 0.72 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 3ha1 h LEU 386 CO -0.00 0.21 0.41 0.78 0.09 0.00 0.00 178.44 179.92 3ha1 h ASN 387 N 0.00 0.43 0.19 -0.43 2.35 -1.53 -2.43 115.58 114.16 3ha1 h ASN 387 Ca -0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3ha1 h ASN 387 Cb 0.38 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3ha1 h ASN 387 CO 0.03 0.26 0.00 0.47 -1.65 0.00 0.00 177.43 176.54 3ha1 n ASP 388 N -4.48 0.00 -0.08 5.81 8.00 -0.55 -5.15 116.55 120.11 3ha1 n ASP 388 Ca 0.10 -0.58 0.16 0.00 0.71 0.00 0.00 54.79 55.18 3ha1 n ASP 388 Cb 0.33 -0.11 0.88 0.00 -0.02 0.00 0.00 41.12 42.21 3ha1 n ASP 388 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43