#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hma h ASP 3 N 0.00 -0.00 0.64 4.04 1.82 -1.96 -3.36 116.42 117.59 2hma h ASP 3 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2hma h ASP 3 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2hma h ASP 3 CO 0.00 0.10 0.00 0.78 -1.61 0.00 0.00 179.24 178.51 2hma h ASN 4 N -0.21 0.00 0.40 2.28 -0.26 -1.84 -3.08 115.58 112.87 2hma h ASN 4 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2hma h ASN 4 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2hma h ASN 4 CO 0.00 0.00 0.00 0.77 -1.06 0.00 0.00 177.43 177.14 2hma h SER 5 N 0.00 0.00 0.41 5.81 4.64 -1.51 0.78 113.55 123.68 2hma h SER 5 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hma h SER 5 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2hma h SER 5 CO 0.00 0.00 -0.25 0.29 -0.87 0.00 0.00 176.83 176.00 2hma n LYS 6 N -2.33 0.50 -3.67 4.77 5.02 -1.16 -4.38 118.16 116.90 2hma n LYS 6 Ca 0.00 -0.24 -0.38 0.00 -2.02 0.00 0.00 58.31 55.67 2hma n LYS 6 Cb 0.14 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.54 2hma n LYS 6 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2hma s THR 7 N -2.66 4.54 -0.18 -0.18 2.01 0.27 -5.02 115.64 114.40 2hma s THR 7 Ca 0.21 -0.41 -0.21 0.00 0.31 0.00 0.00 61.69 61.59 2hma s THR 7 Cb 0.19 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 2hma s THR 7 CO 0.55 0.09 0.62 -0.60 -0.69 0.00 0.00 174.62 174.59 2hma s ARG 8 N 1.61 4.23 -0.17 4.92 3.52 -1.26 -1.58 118.95 130.22 2hma s ARG 8 Ca 0.05 0.61 0.01 0.00 -0.13 0.00 0.00 55.73 56.26 2hma s ARG 8 Cb -0.17 -3.56 0.01 0.00 -1.56 0.00 0.00 34.95 29.67 2hma s ARG 8 CO 0.06 -0.19 -0.17 0.08 -0.81 0.00 0.00 175.30 174.26 2hma s VAL 9 N 1.74 2.36 -0.27 7.11 1.01 -0.01 0.64 120.40 132.99 2hma s VAL 9 Ca 0.29 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 2hma s VAL 9 Cb -0.16 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2hma s VAL 9 CO 0.11 0.52 0.41 -0.69 0.00 0.00 0.00 175.10 175.45 2hma s VAL 10 N 1.09 5.15 -0.23 2.92 1.01 0.32 -1.53 120.40 129.12 2hma s VAL 10 Ca -0.00 0.66 -0.11 0.00 0.00 0.00 0.00 61.98 62.53 2hma s VAL 10 Cb -0.14 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2hma s VAL 10 CO -0.06 0.14 0.17 0.54 0.00 0.00 0.00 175.10 175.88 2hma s VAL 11 N 2.13 5.36 1.38 2.92 0.11 -0.04 -0.12 120.40 132.15 2hma s VAL 11 Ca 0.17 0.21 -0.23 0.00 -2.93 0.00 0.00 61.98 59.20 2hma s VAL 11 Cb -0.16 -3.50 0.35 0.00 -1.53 0.00 0.00 36.38 31.54 2hma s VAL 11 CO 0.10 0.36 0.98 -0.83 -3.33 0.00 0.00 175.10 172.37 2hma s GLY 12 N 0.94 1.46 0.00 6.54 0.00 0.34 -1.12 107.32 115.47 2hma s GLY 12 Ca 0.08 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.89 2hma s GLY 12 CO 0.04 0.09 0.00 -1.14 0.00 0.00 0.00 173.10 172.08 2hma n SER 14 N -5.44 0.00 0.00 1.64 3.41 -1.26 -4.62 113.62 107.35 2hma n SER 14 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2hma n SER 14 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2hma n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hma n GLY 15 N 0.00 0.22 3.94 5.00 0.00 -1.26 -4.76 105.19 108.32 2hma n GLY 15 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2hma n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hma s GLY 16 N -1.58 1.70 0.20 -0.02 0.00 -1.26 -4.73 107.32 101.63 2hma s GLY 16 Ca 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 44.72 43.65 2hma s GLY 16 CO 0.00 -0.55 1.52 -0.24 0.00 0.00 0.00 173.10 173.83 2hma h VAL 17 N -0.81 1.32 0.40 1.40 3.04 -1.82 -2.53 116.25 117.26 2hma h VAL 17 Ca -0.44 -1.78 -0.01 0.00 -1.01 0.00 0.00 66.70 63.47 2hma h VAL 17 Cb 1.30 1.76 -0.01 0.00 -2.01 0.00 0.00 31.29 32.33 2hma h VAL 17 CO 0.55 0.55 -0.29 0.44 -1.01 0.00 0.00 177.57 177.80 2hma h ASP 18 N 0.41 -0.75 0.13 3.17 3.32 -1.94 -0.57 116.42 120.19 2hma h ASP 18 Ca 0.01 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 2hma h ASP 18 Cb 1.06 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 2hma h ASP 18 CO 0.10 -0.44 -0.25 0.77 -1.72 0.00 0.00 179.24 177.69 2hma h SER 19 N -0.69 0.22 -0.46 6.45 4.64 -1.87 0.87 113.55 122.72 2hma h SER 19 Ca -0.04 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 2hma h SER 19 Cb 0.58 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 2hma h SER 19 CO 0.01 0.48 0.19 0.28 -0.87 0.00 0.00 176.83 176.92 2hma h SER 20 N 0.20 0.62 -0.03 4.97 0.02 -1.25 -1.29 113.55 116.79 2hma h SER 20 Ca 0.03 -0.16 -0.14 0.00 -0.84 0.00 0.00 61.79 60.68 2hma h SER 20 Cb 0.56 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2hma h SER 20 CO 0.04 0.61 -0.46 0.58 -1.14 0.00 0.00 176.83 176.46 2hma h VAL 21 N 0.59 1.31 -0.20 2.27 2.07 -0.67 -2.08 116.25 119.54 2hma h VAL 21 Ca 0.15 -1.66 0.03 0.00 0.82 0.00 0.00 66.70 66.05 2hma h VAL 21 Cb 0.17 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2hma h VAL 21 CO -0.01 0.52 -0.00 0.74 0.02 0.00 0.00 177.57 178.84 2hma h THR 22 N 0.46 0.86 -0.46 2.57 2.02 -0.53 0.27 112.91 118.11 2hma h THR 22 Ca 0.03 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.21 2hma h THR 22 Cb 0.98 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 2hma h THR 22 CO 0.09 0.01 0.27 0.00 0.37 0.00 0.00 175.52 176.26 2hma h ALA 23 N 1.17 0.58 -0.34 6.16 0.00 -1.18 -2.29 119.26 123.35 2hma h ALA 23 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2hma h ALA 23 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2hma h ALA 23 CO -0.16 -0.05 0.16 1.25 0.00 0.00 0.00 179.25 180.45 2hma h LEU 24 N 0.54 0.46 -0.65 0.00 5.85 -0.81 -1.50 115.31 119.19 2hma h LEU 24 Ca 0.19 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2hma h LEU 24 Cb 0.02 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2hma h LEU 24 CO -0.09 0.47 0.40 -0.07 -0.34 0.00 0.00 178.44 178.81 2hma h LEU 25 N 0.42 0.79 -0.83 2.25 3.38 -0.87 -0.31 115.31 120.14 2hma h LEU 25 Ca 0.12 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2hma h LEU 25 Cb 0.14 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2hma h LEU 25 CO -0.01 0.62 -0.01 -0.07 0.09 0.00 0.00 178.44 179.05 2hma h LEU 26 N 0.89 0.84 -0.26 1.67 3.38 -1.31 -1.66 115.31 118.86 2hma h LEU 26 Ca 0.24 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2hma h LEU 26 Cb -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2hma h LEU 26 CO -0.04 0.91 0.06 0.50 0.09 0.00 0.00 178.44 179.96 2hma h LYS 27 N 0.81 0.42 -0.27 1.13 1.63 -0.84 -2.19 116.57 117.26 2hma h LYS 27 Ca 0.15 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 2hma h LYS 27 Cb 0.49 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2hma h LYS 27 CO 0.02 0.51 0.13 0.93 -3.45 0.00 0.00 179.45 177.60 2hma h GLU 28 N 0.24 0.36 -0.02 1.90 5.08 -0.76 0.34 114.58 121.73 2hma h GLU 28 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2hma h GLU 28 Cb 0.29 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2hma h GLU 28 CO 0.00 0.29 0.00 1.04 -1.00 0.00 0.00 179.01 179.34 2hma n GLN 29 N -4.45 1.08 -0.72 2.33 6.02 -0.65 -4.90 117.38 116.09 2hma n GLN 29 Ca 0.01 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 2hma n GLN 29 Cb 0.11 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.09 2hma n GLN 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hma n GLY 30 N 0.81 0.63 3.79 1.08 0.00 0.11 -4.70 105.19 106.91 2hma n GLY 30 Ca 0.13 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2hma n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hma s TYR 31 N -2.00 2.80 -0.81 1.61 2.02 -0.83 -1.82 117.35 118.31 2hma s TYR 31 Ca 0.00 1.51 -0.23 0.00 -0.37 0.00 0.00 57.07 57.98 2hma s TYR 31 Cb 0.00 -3.02 0.06 0.00 -0.40 0.00 0.00 41.96 38.60 2hma s TYR 31 CO 0.00 -1.51 1.20 0.34 -1.57 0.00 0.00 175.55 174.01 2hma s ASP 32 N -3.24 6.32 -0.17 2.29 2.15 -0.61 -4.72 116.67 118.69 2hma s ASP 32 Ca 0.62 -1.10 -0.07 0.00 0.43 0.00 0.00 52.55 52.43 2hma s ASP 32 Cb -0.17 -2.49 -0.04 0.00 -0.30 0.00 0.00 42.92 39.92 2hma s ASP 32 CO 0.50 -1.52 0.05 -0.69 -0.17 0.00 0.00 175.17 173.34 2hma s VAL 33 N 4.56 4.69 -0.12 1.11 1.01 -1.26 -0.83 120.40 129.55 2hma s VAL 33 Ca 0.33 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.25 2hma s VAL 33 Cb -0.08 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.22 2hma s VAL 33 CO 0.04 0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 174.84 2hma s ILE 34 N 0.19 1.54 -0.05 2.22 1.01 -0.58 -4.16 121.20 121.37 2hma s ILE 34 Ca 0.04 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 59.83 2hma s ILE 34 Cb -0.12 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 2hma s ILE 34 CO 0.01 0.45 0.56 -0.83 0.00 0.00 0.00 174.94 175.12 2hma s GLY 35 N 1.09 2.53 -0.06 6.18 0.00 -0.04 -0.86 107.32 116.16 2hma s GLY 35 Ca -0.04 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.65 2hma s GLY 35 CO -0.04 0.79 -0.11 -0.42 0.00 0.00 0.00 173.10 173.32 2hma s ILE 36 N 0.20 1.07 0.00 0.90 -1.09 -0.28 -0.78 121.20 121.21 2hma s ILE 36 Ca 0.30 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 2hma s ILE 36 Cb -0.17 -0.99 0.00 0.00 -1.58 0.00 0.00 42.46 39.72 2hma s ILE 36 CO 0.15 0.34 0.00 0.33 -1.23 0.00 0.00 174.94 174.53 2hma n PHE 37 N 3.89 -0.15 -3.24 3.97 7.35 -0.38 -4.32 117.46 124.57 2hma n PHE 37 Ca -0.23 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.46 2hma n PHE 37 Cb 0.52 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.31 2hma n PHE 37 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2hma s LYS 39 N 2.69 0.50 0.00 -4.13 2.20 -0.06 -0.98 119.74 119.97 2hma s LYS 39 Ca 0.00 0.90 0.05 0.00 -0.36 0.00 0.00 55.97 56.56 2hma s LYS 39 Cb 0.00 0.28 -0.00 0.00 -1.51 0.00 0.00 37.83 36.60 2hma s LYS 39 CO 0.00 -0.60 0.45 0.09 -0.36 0.00 0.00 175.35 174.93 2hma n ASN 40 N 5.41 0.86 -3.76 1.43 3.02 -1.26 -1.52 115.26 119.45 2hma n ASN 40 Ca -0.02 -0.93 -0.14 0.00 -0.03 0.00 0.00 54.58 53.45 2hma n ASN 40 Cb 0.51 0.48 -0.15 0.00 -0.61 0.00 0.00 39.78 40.00 2hma n ASN 40 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2hma s TRP 41 N -0.92 -0.06 -0.48 3.10 -0.11 -1.26 -4.13 118.94 115.07 2hma s TRP 41 Ca 0.04 0.30 -0.19 0.00 1.22 0.00 0.00 56.10 57.48 2hma s TRP 41 Cb 0.04 -0.17 0.05 0.00 -1.50 0.00 0.00 33.47 31.89 2hma s TRP 41 CO 0.13 -0.13 0.57 0.34 -4.62 0.00 0.00 176.95 173.24 2hma s ASP 42 N 1.15 6.22 -0.48 5.86 2.15 -1.26 -4.90 116.67 125.41 2hma s ASP 42 Ca -0.09 -0.86 0.08 0.00 0.43 0.00 0.00 52.55 52.11 2hma s ASP 42 Cb -0.12 -2.27 0.37 0.00 -0.30 0.00 0.00 42.92 40.59 2hma s ASP 42 CO -0.04 -0.80 0.92 -0.67 -0.17 0.00 0.00 175.17 174.41 2hma n ASP 43 N 5.97 3.39 -4.85 -0.34 4.64 -1.26 -5.09 116.55 119.01 2hma n ASP 43 Ca -0.07 -3.45 -0.34 0.00 -1.38 0.00 0.00 54.79 49.56 2hma n ASP 43 Cb 0.46 -0.55 -0.06 0.00 -1.04 0.00 0.00 41.12 39.93 2hma n ASP 43 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 2hma s THR 44 N -4.05 4.82 0.05 5.18 2.01 -1.26 -4.25 115.64 118.14 2hma s THR 44 Ca 0.45 0.77 0.32 0.00 0.31 0.00 0.00 61.69 63.54 2hma s THR 44 Cb 0.33 -3.69 0.34 0.00 0.01 0.00 0.00 72.50 69.49 2hma s THR 44 CO -0.12 0.06 1.95 0.44 -0.69 0.00 0.00 174.62 176.27 2hma h ASP 45 N 2.98 0.00 0.00 3.53 5.19 -2.06 -3.52 116.42 122.54 2hma h ASP 45 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2hma h ASP 45 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2hma h ASP 45 CO 0.67 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.79 2hma h THR 51 N 0.00 1.24 -0.16 0.00 2.02 -1.96 -3.14 112.91 110.91 2hma h THR 51 Ca 0.00 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 2hma h THR 51 Cb 0.00 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2hma h THR 51 CO 0.00 0.29 0.04 0.00 0.37 0.00 0.00 175.52 176.22 2hma h ALA 52 N 0.91 1.77 0.14 6.16 0.00 -1.92 -2.87 119.26 123.45 2hma h ALA 52 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2hma h ALA 52 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2hma h ALA 52 CO 0.01 0.18 -0.07 1.15 0.00 0.00 0.00 179.25 180.52 2hma h THR 53 N 0.22 0.92 -0.03 0.00 2.02 -1.98 -0.75 112.91 113.31 2hma h THR 53 Ca 0.06 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.03 2hma h THR 53 Cb 0.09 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2hma h THR 53 CO -0.00 0.06 -0.14 -0.33 0.37 0.00 0.00 175.52 175.47 2hma h GLU 54 N -0.30 -0.21 -0.80 6.66 5.08 -1.53 -2.56 114.58 120.92 2hma h GLU 54 Ca -0.02 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2hma h GLU 54 Cb 0.24 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2hma h GLU 54 CO 0.03 -0.14 0.33 -0.44 -1.00 0.00 0.00 179.01 177.78 2hma h ASP 55 N -0.22 1.10 -0.00 1.42 3.32 -1.49 -1.35 116.42 119.19 2hma h ASP 55 Ca 0.06 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 2hma h ASP 55 Cb 0.30 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2hma h ASP 55 CO -0.16 0.97 -0.05 0.22 -1.72 0.00 0.00 179.24 178.50 2hma h TYR 56 N 1.16 0.14 -0.70 4.55 3.20 -0.97 -0.52 116.97 123.82 2hma h TYR 56 Ca 0.27 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.15 2hma h TYR 56 Cb 0.21 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 2hma h TYR 56 CO 0.02 0.20 0.46 0.87 -1.64 0.00 0.00 178.16 178.07 2hma h LYS 57 N 0.14 0.90 -0.28 1.82 1.57 -0.84 -0.55 116.57 119.34 2hma h LYS 57 Ca 0.03 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 2hma h LYS 57 Cb 0.18 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 2hma h LYS 57 CO 0.01 0.60 -0.44 -0.44 -0.57 0.00 0.00 179.45 178.61 2hma h ASP 58 N 0.93 0.87 -0.04 0.86 3.32 -1.08 0.46 116.42 121.74 2hma h ASP 58 Ca 0.26 -0.52 0.03 0.00 0.02 0.00 0.00 57.03 56.83 2hma h ASP 58 Cb -0.07 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.18 2hma h ASP 58 CO -0.07 1.22 -0.22 0.58 -1.72 0.00 0.00 179.24 179.03 2hma h VAL 59 N 0.55 0.48 0.06 -1.35 2.07 -0.97 -0.63 116.25 116.46 2hma h VAL 59 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2hma h VAL 59 Cb 1.04 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2hma h VAL 59 CO 0.10 0.00 -0.05 0.58 0.02 0.00 0.00 177.57 178.22 2hma h VAL 60 N -0.32 0.89 -0.83 2.57 2.07 -0.91 0.73 116.25 120.44 2hma h VAL 60 Ca 0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 2hma h VAL 60 Cb 0.43 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 2hma h VAL 60 CO -0.23 0.00 0.48 0.00 0.02 0.00 0.00 177.57 177.84 2hma h ALA 61 N 0.83 1.19 -0.06 1.67 0.00 -0.78 -0.31 119.26 121.79 2hma h ALA 61 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2hma h ALA 61 Cb 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2hma h ALA 61 CO -0.01 0.12 -0.30 0.28 0.00 0.00 0.00 179.25 179.34 2hma h VAL 62 N 0.81 1.44 -0.88 0.00 2.07 -0.65 -1.51 116.25 117.53 2hma h VAL 62 Ca 0.40 -1.73 0.07 0.00 0.82 0.00 0.00 66.70 66.25 2hma h VAL 62 Cb 0.35 2.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 2hma h VAL 62 CO -0.24 0.49 0.57 0.00 0.02 0.00 0.00 177.57 178.41 2hma h ALA 63 N 0.41 1.55 -0.26 1.67 0.00 -0.69 -0.86 119.26 121.07 2hma h ALA 63 Ca -0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 2hma h ALA 63 Cb 0.95 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2hma h ALA 63 CO 0.06 0.32 -0.53 -0.44 0.00 0.00 0.00 179.25 178.66 2hma h ASP 64 N 0.98 0.86 0.39 0.00 3.32 -1.00 0.14 116.42 121.11 2hma h ASP 64 Ca 0.38 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2hma h ASP 64 Cb 0.22 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2hma h ASP 64 CO -0.14 1.22 -0.29 -0.61 -1.72 0.00 0.00 179.24 177.71 2hma h GLN 65 N 0.60 -0.64 0.00 3.56 -0.00 -0.22 -2.82 115.11 115.58 2hma h GLN 65 Ca 0.02 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 2hma h GLN 65 Cb 1.12 0.15 0.00 0.00 0.00 0.00 0.00 27.48 28.74 2hma h GLN 65 CO 0.11 -0.43 0.00 0.44 0.00 0.00 0.00 178.83 178.96 2hma n ILE 66 N -5.41 0.01 -2.47 2.39 -5.35 -0.43 -4.94 119.36 103.16 2hma n ILE 66 Ca -0.10 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.31 2hma n ILE 66 Cb 0.31 -0.51 0.03 0.00 -1.74 0.00 0.00 39.64 37.74 2hma n ILE 66 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hma n GLY 67 N 1.46 0.09 3.42 3.28 0.00 0.27 -5.07 105.19 108.64 2hma n GLY 67 Ca 0.08 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2hma n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hma s ILE 68 N -3.15 2.30 0.62 -0.61 -4.36 0.05 -5.03 121.20 111.01 2hma s ILE 68 Ca 0.07 -2.04 -0.17 0.00 -0.26 0.00 0.00 60.65 58.25 2hma s ILE 68 Cb -0.01 -2.10 -0.02 0.00 1.25 0.00 0.00 42.46 41.58 2hma s ILE 68 CO 0.31 -0.15 1.14 -2.16 0.24 0.00 0.00 174.94 174.32 2hma s PRO 69 N -2.72 2.95 0.02 0.37 0.04 -1.26 -4.53 135.00 129.88 2hma s PRO 69 Ca 0.21 1.56 0.02 0.00 0.04 0.00 0.00 61.00 62.83 2hma s PRO 69 Cb -0.08 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2hma s PRO 69 CO 0.10 -1.16 -0.08 1.52 0.04 0.00 0.00 177.00 177.42 2hma s TYR 70 N -2.01 0.66 0.33 0.56 -0.85 -1.26 -0.86 117.35 113.92 2hma s TYR 70 Ca 0.71 -0.28 0.06 0.00 -0.52 0.00 0.00 57.07 57.03 2hma s TYR 70 Cb -0.24 -0.41 -0.03 0.00 0.38 0.00 0.00 41.96 41.67 2hma s TYR 70 CO 0.36 -0.03 0.23 0.71 -1.52 0.00 0.00 175.55 175.29 2hma s TYR 71 N -0.71 1.69 -0.05 -3.49 2.02 0.04 -4.96 117.35 111.89 2hma s TYR 71 Ca -0.03 -1.55 -0.02 0.00 -0.37 0.00 0.00 57.07 55.10 2hma s TYR 71 Cb -0.06 -0.78 0.03 0.00 -0.40 0.00 0.00 41.96 40.75 2hma s TYR 71 CO 0.00 -0.73 0.08 0.45 -1.57 0.00 0.00 175.55 173.78 2hma s SER 72 N -3.39 0.83 0.11 2.29 0.15 -1.26 -1.25 113.70 111.17 2hma s SER 72 Ca 0.37 0.14 0.09 0.00 0.70 0.00 0.00 55.95 57.25 2hma s SER 72 Cb 0.03 -0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 2hma s SER 72 CO 0.23 -0.22 -0.23 0.54 1.20 0.00 0.00 173.24 174.76 2hma s VAL 73 N 1.97 1.86 -0.25 4.45 0.11 -0.16 -4.96 120.40 123.43 2hma s VAL 73 Ca 0.02 -1.59 -0.04 0.00 -2.93 0.00 0.00 61.98 57.44 2hma s VAL 73 Cb -0.12 -1.67 0.01 0.00 -1.53 0.00 0.00 36.38 33.06 2hma s VAL 73 CO -0.04 -0.00 -0.02 0.21 -3.33 0.00 0.00 175.10 171.92 2hma s ASN 74 N -1.91 4.50 -0.21 3.54 3.84 -1.26 -0.88 114.94 122.56 2hma s ASN 74 Ca 0.08 -0.61 0.11 0.00 0.21 0.00 0.00 52.86 52.65 2hma s ASN 74 Cb -0.10 -1.75 0.42 0.00 -0.55 0.00 0.00 41.25 39.27 2hma s ASN 74 CO 0.05 -0.09 1.23 0.49 -2.79 0.00 0.00 177.10 175.98 2hma n PHE 75 N 4.77 0.04 -0.25 0.43 3.72 -0.58 -4.80 117.46 120.80 2hma n PHE 75 Ca -0.17 -1.51 0.05 0.00 -0.05 0.00 0.00 57.45 55.78 2hma n PHE 75 Cb 0.49 -0.26 0.18 0.00 -0.94 0.00 0.00 39.48 38.96 2hma n PHE 75 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2hma h GLU 76 N 1.01 0.34 0.33 -1.08 5.08 -1.71 0.11 114.58 118.66 2hma h GLU 76 Ca 0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2hma h GLU 76 Cb 1.02 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2hma h GLU 76 CO 0.01 0.23 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.87 2hma h LYS 77 N 0.35 -0.42 -0.67 2.33 3.64 -1.87 -0.13 116.57 119.80 2hma h LYS 77 Ca 0.41 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.79 2hma h LYS 77 Cb 0.67 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 2hma h LYS 77 CO -0.45 -0.23 0.30 0.93 -2.27 0.00 0.00 179.45 177.73 2hma h GLU 78 N -0.52 0.98 -0.22 1.90 3.07 -1.83 0.71 114.58 118.68 2hma h GLU 78 Ca -0.04 -0.16 -0.02 0.00 -0.50 0.00 0.00 59.36 58.64 2hma h GLU 78 Cb 0.39 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2hma h GLU 78 CO 0.07 0.79 0.06 -0.92 -1.40 0.00 0.00 179.01 177.62 2hma h TYR 79 N 0.94 0.35 -0.04 4.33 3.20 -0.74 0.19 116.97 125.20 2hma h TYR 79 Ca 0.23 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.09 2hma h TYR 79 Cb 0.15 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2hma h TYR 79 CO 0.01 0.43 -0.16 2.35 -1.64 0.00 0.00 178.16 179.15 2hma h TRP 80 N 0.17 -0.41 -0.24 -3.82 2.91 -0.56 0.15 115.95 114.15 2hma h TRP 80 Ca 0.07 0.02 -0.12 0.00 1.13 0.00 0.00 58.89 59.99 2hma h TRP 80 Cb 0.24 0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 29.07 2hma h TRP 80 CO 0.00 -0.23 -0.34 -0.44 -1.03 0.00 0.00 178.44 176.40 2hma h ASP 81 N -0.24 0.54 0.00 2.65 3.32 -0.68 0.46 116.42 122.47 2hma h ASP 81 Ca 0.07 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2hma h ASP 81 Cb 0.33 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2hma h ASP 81 CO -0.18 0.85 -1.35 0.54 -1.72 0.00 0.00 179.24 177.38 2hma n ARG 82 N -4.06 1.01 0.01 3.56 1.74 0.65 -4.50 116.66 115.08 2hma n ARG 82 Ca -0.01 -0.09 -0.02 0.00 -0.77 0.00 0.00 57.85 56.96 2hma n ARG 82 Cb 0.47 -1.26 -0.01 0.00 -1.02 0.00 0.00 32.46 30.64 2hma n ARG 82 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2hma n VAL 83 N -1.79 0.69 -0.12 1.55 0.31 0.38 -4.55 118.33 114.81 2hma n VAL 83 Ca -0.01 0.16 -0.13 0.00 -0.01 0.00 0.00 64.34 64.34 2hma n VAL 83 Cb 0.31 -1.61 -0.02 0.00 -0.91 0.00 0.00 33.84 31.61 2hma n VAL 83 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2hma h PHE 84 N -0.11 1.13 -0.77 3.52 3.57 -0.75 0.08 116.94 123.61 2hma h PHE 84 Ca -0.04 -0.34 -0.04 0.00 3.53 0.00 0.00 57.97 61.09 2hma h PHE 84 Cb 0.62 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 2hma h PHE 84 CO -0.03 1.17 0.34 0.93 -2.23 0.00 0.00 178.31 178.49 2hma h GLU 85 N 0.76 1.11 -0.36 1.11 4.39 -1.14 -1.05 114.58 119.40 2hma h GLU 85 Ca 0.06 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.61 2hma h GLU 85 Cb 0.97 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.40 2hma h GLU 85 CO 0.09 0.88 0.19 -0.92 -1.16 0.00 0.00 179.01 178.10 2hma h TYR 86 N 1.10 0.36 -0.04 4.33 3.20 -1.68 0.35 116.97 124.59 2hma h TYR 86 Ca 0.26 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.18 2hma h TYR 86 Cb 0.16 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 2hma h TYR 86 CO 0.02 0.20 -0.19 0.35 -1.64 0.00 0.00 178.16 176.89 2hma h PHE 87 N 0.40 -0.50 -0.52 -3.82 3.57 -0.65 -0.00 116.94 115.41 2hma h PHE 87 Ca 0.15 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2hma h PHE 87 Cb 0.04 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2hma h PHE 87 CO -0.09 -0.27 0.18 -0.07 -2.23 0.00 0.00 178.31 175.83 2hma h LEU 88 N -0.29 0.75 -1.25 0.59 3.38 -1.05 -2.89 115.31 114.55 2hma h LEU 88 Ca 0.07 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2hma h LEU 88 Cb 0.39 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2hma h LEU 88 CO -0.21 0.75 -0.26 0.00 0.09 0.00 0.00 178.44 178.81 2hma h ALA 89 N 1.03 1.38 -0.07 1.53 0.00 -0.50 -1.40 119.26 121.23 2hma h ALA 89 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2hma h ALA 89 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2hma h ALA 89 CO -0.01 0.44 0.05 0.93 0.00 0.00 0.00 179.25 180.66 2hma h GLU 90 N 0.17 0.10 -0.93 0.00 4.39 -0.81 -2.07 114.58 115.43 2hma h GLU 90 Ca 0.03 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.74 2hma h GLU 90 Cb 0.55 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 2hma h GLU 90 CO 0.04 0.09 0.61 1.88 -1.16 0.00 0.00 179.01 180.47 2hma h TYR 91 N 0.08 1.15 0.00 4.33 0.05 -1.29 0.36 116.97 121.65 2hma h TYR 91 Ca 0.03 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 2hma h TYR 91 Cb 0.02 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 37.37 2hma h TYR 91 CO -0.06 0.70 -0.13 0.00 -1.05 0.00 0.00 178.16 177.62 2hma h ARG 92 N 1.22 0.00 -0.01 4.88 3.08 -1.02 -2.12 114.38 120.41 2hma h ARG 92 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2hma h ARG 92 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2hma h ARG 92 CO -0.10 0.13 -0.07 0.00 -1.07 0.00 0.00 179.97 178.87 2hma n ALA 93 N -2.51 2.70 -0.78 0.04 0.00 -0.62 -4.91 120.51 114.43 2hma n ALA 93 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2hma n ALA 93 Cb 0.20 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2hma n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hma n GLY 94 N 1.21 0.56 3.93 0.00 0.00 -0.80 -5.05 105.19 105.05 2hma n GLY 94 Ca 0.17 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 2hma n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hma s ARG 95 N -0.91 2.55 -0.33 1.61 0.52 0.02 -4.76 118.95 117.65 2hma s ARG 95 Ca 0.00 -1.52 -0.06 0.00 -0.52 0.00 0.00 55.73 53.62 2hma s ARG 95 Cb 0.00 -2.47 0.04 0.00 0.52 0.00 0.00 34.95 33.03 2hma s ARG 95 CO 0.00 -0.33 0.09 0.99 0.02 0.00 0.00 175.30 176.07 2hma s THR 96 N -2.49 3.75 0.70 0.02 2.01 0.34 -3.84 115.64 116.12 2hma s THR 96 Ca 0.50 -1.08 -0.13 0.00 0.31 0.00 0.00 61.69 61.29 2hma s THR 96 Cb -0.05 -3.09 0.02 0.00 0.01 0.00 0.00 72.50 69.38 2hma s THR 96 CO 0.30 -0.13 1.09 -2.16 -0.69 0.00 0.00 174.62 173.02 2hma s PRO 97 N 1.41 2.70 -0.55 4.92 0.04 -1.26 -2.64 135.00 139.62 2hma s PRO 97 Ca -0.01 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.26 2hma s PRO 97 Cb -0.19 -1.95 0.14 0.00 0.04 0.00 0.00 34.50 32.54 2hma s PRO 97 CO 0.02 -1.30 0.30 1.21 0.04 0.00 0.00 177.00 177.28 2hma s ASN 98 N -3.15 4.35 0.43 6.66 3.84 -1.26 -4.88 114.94 120.93 2hma s ASN 98 Ca 0.62 -3.16 0.14 0.00 0.21 0.00 0.00 52.86 50.67 2hma s ASN 98 Cb -0.17 -1.59 0.95 0.00 -0.55 0.00 0.00 41.25 39.88 2hma s ASN 98 CO 0.49 -0.20 1.97 1.55 -2.79 0.00 0.00 177.10 178.11 2hma h PRO 99 N 6.29 0.04 -0.65 0.43 0.13 -1.96 -3.07 132.00 133.20 2hma h PRO 99 Ca -0.03 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2hma h PRO 99 Cb 0.87 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.96 2hma h PRO 99 CO 0.68 0.22 0.35 -0.44 -0.23 0.00 0.00 178.00 178.59 2hma h ASP 100 N 0.03 0.82 0.00 1.44 3.32 -1.94 0.42 116.42 120.51 2hma h ASP 100 Ca 0.01 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2hma h ASP 100 Cb 0.35 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2hma h ASP 100 CO 0.03 0.68 0.00 0.52 -1.72 0.00 0.00 179.24 178.74 2hma n VAL 101 N -4.53 0.00 0.00 -1.35 0.31 -1.16 -1.02 118.33 110.58 2hma n VAL 101 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2hma n VAL 101 Cb 0.09 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 2hma n VAL 101 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hma h ASN 104 N 0.00 0.68 -0.67 0.00 2.35 -1.33 0.28 115.58 116.89 2hma h ASN 104 Ca 0.00 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.55 2hma h ASN 104 Cb 0.00 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 2hma h ASN 104 CO 0.00 0.63 0.20 0.50 -1.65 0.00 0.00 177.43 177.11 2hma h LYS 105 N 0.68 1.07 0.00 0.81 3.64 -1.63 -1.98 116.57 119.16 2hma h LYS 105 Ca 0.17 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2hma h LYS 105 Cb 0.15 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2hma h LYS 105 CO -0.02 0.92 -1.46 0.39 -2.27 0.00 0.00 179.45 177.01 2hma n GLU 106 N -4.25 0.57 0.00 1.90 -0.58 -1.18 -4.23 120.64 112.87 2hma n GLU 106 Ca 0.05 -0.08 -0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2hma n GLU 106 Cb 0.23 -1.23 -0.00 0.00 -0.57 0.00 0.00 31.44 29.87 2hma n GLU 106 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2hma n ILE 107 N -1.90 0.16 0.25 -3.67 2.08 0.88 -2.81 119.36 114.34 2hma n ILE 107 Ca -0.03 0.13 0.12 0.00 0.56 0.00 0.00 62.75 63.53 2hma n ILE 107 Cb 0.32 -1.18 0.75 0.00 -0.75 0.00 0.00 39.64 38.78 2hma n ILE 107 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2hma h LYS 108 N -0.03 0.00 0.00 0.38 1.57 -1.32 0.83 116.57 118.01 2hma h LYS 108 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hma h LYS 108 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2hma h LYS 108 CO 0.00 0.00 -0.07 1.19 -0.57 0.00 0.00 179.45 180.00 2hma n PHE 109 N -4.23 0.00 0.00 -1.35 3.72 -0.74 -3.87 117.46 110.98 2hma n PHE 109 Ca -0.02 -0.60 0.00 0.00 -0.05 0.00 0.00 57.45 56.79 2hma n PHE 109 Cb 0.15 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 2hma n PHE 109 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2hma n LYS 110 N -0.79 0.00 -0.13 -1.08 4.81 -1.12 -4.63 118.16 115.23 2hma n LYS 110 Ca 0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.47 2hma n LYS 110 Cb 0.50 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.59 2hma n LYS 110 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hma h ALA 111 N 0.00 0.39 -0.34 3.14 0.00 -1.32 -1.06 119.26 120.07 2hma h ALA 111 Ca 0.00 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 2hma h ALA 111 Cb 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2hma h ALA 111 CO 0.00 -0.39 -0.45 0.35 0.00 0.00 0.00 179.25 178.76 2hma h PHE 112 N 0.11 1.09 0.03 0.00 3.57 -1.04 -1.43 116.94 119.27 2hma h PHE 112 Ca 0.21 -0.35 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 2hma h PHE 112 Cb 0.30 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2hma h PHE 112 CO -0.28 1.18 -0.01 1.25 -2.23 0.00 0.00 178.31 178.21 2hma h LEU 113 N 0.71 -0.03 -1.33 0.59 5.85 -1.61 0.76 115.31 120.26 2hma h LEU 113 Ca 0.04 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2hma h LEU 113 Cb 1.05 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2hma h LEU 113 CO 0.11 0.08 0.32 0.44 -0.34 0.00 0.00 178.44 179.04 2hma h ASP 114 N -0.15 0.69 0.14 1.25 3.32 -1.21 -0.80 116.42 119.66 2hma h ASP 114 Ca -0.00 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2hma h ASP 114 Cb 0.13 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2hma h ASP 114 CO 0.01 0.55 -0.07 0.22 -1.72 0.00 0.00 179.24 178.23 2hma h TYR 115 N 0.79 -0.17 -0.62 4.55 3.20 -1.05 -2.77 116.97 120.89 2hma h TYR 115 Ca 0.20 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.08 2hma h TYR 115 Cb 0.01 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2hma h TYR 115 CO 0.00 -0.04 0.41 0.00 -1.64 0.00 0.00 178.16 176.90 2hma h ALA 116 N 0.58 1.57 -0.18 1.82 0.00 -0.49 -1.17 119.26 121.39 2hma h ALA 116 Ca -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2hma h ALA 116 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2hma h ALA 116 CO 0.03 0.39 -0.12 0.82 0.00 0.00 0.00 179.25 180.37 2hma h ILE 117 N 0.82 1.18 0.00 0.00 2.04 -1.03 0.70 117.51 121.23 2hma h ILE 117 Ca 0.23 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2hma h ILE 117 Cb -0.08 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2hma h ILE 117 CO -0.05 0.25 0.00 0.35 0.00 0.00 0.00 178.15 178.70 2hma n THR 118 N -4.27 0.85 -0.29 -0.27 -2.24 -0.45 -0.92 114.28 106.69 2hma n THR 118 Ca -0.00 0.21 0.09 0.00 -2.27 0.00 0.00 64.05 62.08 2hma n THR 118 Cb 0.27 -0.93 0.31 0.00 -2.10 0.00 0.00 70.33 67.89 2hma n THR 118 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2hma n LEU 119 N -1.52 4.08 -1.06 3.22 4.77 0.18 -4.92 117.00 121.75 2hma n LEU 119 Ca 0.04 -2.06 -0.11 0.00 -0.03 0.00 0.00 56.01 53.86 2hma n LEU 119 Cb 0.20 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 2hma n LEU 119 CO 0.16 0.78 -0.12 0.61 -1.33 0.00 0.00 177.39 177.48 2hma n GLY 120 N 1.21 0.50 3.76 -0.72 0.00 -0.09 -4.99 105.19 104.87 2hma n GLY 120 Ca 0.23 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2hma n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hma s ALA 121 N -2.48 3.60 -0.08 4.61 0.00 -0.84 -4.69 121.76 121.89 2hma s ALA 121 Ca 0.00 1.44 -0.12 0.00 0.00 0.00 0.00 51.96 53.28 2hma s ALA 121 Cb 0.00 -3.57 -0.29 0.00 0.00 0.00 0.00 23.12 19.26 2hma s ALA 121 CO 0.00 -0.87 0.59 -0.44 0.00 0.00 0.00 175.76 175.04 2hma h ASP 122 N 3.97 0.52 -4.65 0.00 3.32 -0.14 -3.42 116.42 116.02 2hma h ASP 122 Ca -0.48 -0.91 -0.30 0.00 0.02 0.00 0.00 57.03 55.35 2hma h ASP 122 Cb 1.23 -0.17 -0.20 0.00 0.22 0.00 0.00 39.33 40.41 2hma h ASP 122 CO 0.71 1.74 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.93 2hma s TYR 123 N -2.54 0.85 0.07 4.55 2.02 -0.94 -4.78 117.35 116.58 2hma s TYR 123 Ca -0.18 -0.55 -0.05 0.00 -0.37 0.00 0.00 57.07 55.91 2hma s TYR 123 Cb 0.05 -0.49 -0.05 0.00 -0.40 0.00 0.00 41.96 41.07 2hma s TYR 123 CO 0.81 -0.05 0.32 0.14 -1.57 0.00 0.00 175.55 175.20 2hma s VAL 124 N -1.71 5.24 0.08 0.71 -7.23 -0.19 -0.52 120.40 116.77 2hma s VAL 124 Ca -0.04 0.07 0.07 0.00 -1.81 0.00 0.00 61.98 60.27 2hma s VAL 124 Cb -0.08 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.23 2hma s VAL 124 CO 0.00 0.20 -0.20 0.00 -0.31 0.00 0.00 175.10 174.80 2hma s ALA 125 N -1.47 1.70 0.23 1.32 0.00 0.83 -4.33 121.76 120.04 2hma s ALA 125 Ca 0.34 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.18 2hma s ALA 125 Cb -0.13 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 2hma s ALA 125 CO 0.21 0.35 0.05 0.95 0.00 0.00 0.00 175.76 177.32 2hma s THR 126 N -1.03 0.67 -0.44 0.00 -4.23 -1.26 -0.51 115.64 108.84 2hma s THR 126 Ca 0.06 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.61 2hma s THR 126 Cb -0.09 -2.43 0.34 0.00 1.34 0.00 0.00 72.50 71.65 2hma s THR 126 CO 0.03 -0.20 1.24 0.61 -0.54 0.00 0.00 174.62 175.76 2hma n GLY 127 N -0.39 2.64 3.77 3.99 0.00 -1.26 -4.20 105.19 109.74 2hma n GLY 127 Ca -0.03 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2hma n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hma s HIS 128 N -1.66 2.70 -1.14 1.61 4.02 -1.26 -4.80 115.29 114.76 2hma s HIS 128 Ca 0.25 1.16 -0.20 0.00 1.02 0.00 0.00 55.06 57.30 2hma s HIS 128 Cb 0.20 -3.96 0.08 0.00 -1.02 0.00 0.00 32.58 27.88 2hma s HIS 128 CO 0.06 -2.86 1.52 0.71 1.02 0.00 0.00 174.74 175.19 2hma s TYR 129 N -0.95 2.80 0.20 1.40 1.51 -1.26 -4.28 117.35 116.77 2hma s TYR 129 Ca 0.54 -1.35 -0.20 0.00 -1.01 0.00 0.00 57.07 55.04 2hma s TYR 129 Cb -0.45 -4.63 0.04 0.00 -0.11 0.00 0.00 41.96 36.81 2hma s TYR 129 CO 0.59 -1.78 0.59 0.00 -1.11 0.00 0.00 175.55 173.84 2hma s ALA 130 N 4.06 -1.26 0.11 3.71 0.00 -1.26 -0.42 121.76 126.69 2hma s ALA 130 Ca 0.47 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.55 2hma s ALA 130 Cb 0.01 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 2hma s ALA 130 CO -0.02 -0.84 -0.16 1.03 0.00 0.00 0.00 175.76 175.77 2hma s ARG 131 N -3.83 1.03 -0.12 0.00 0.52 0.70 -3.50 118.95 113.76 2hma s ARG 131 Ca 0.06 -1.17 0.02 0.00 -0.52 0.00 0.00 55.73 54.12 2hma s ARG 131 Cb -0.02 -1.07 -0.00 0.00 0.52 0.00 0.00 34.95 34.38 2hma s ARG 131 CO -0.05 0.23 -0.19 0.14 0.02 0.00 0.00 175.30 175.44 2hma s VAL 132 N -1.67 2.46 -0.06 3.52 -7.23 -1.26 0.38 120.40 116.54 2hma s VAL 132 Ca 0.06 -0.87 0.04 0.00 -1.81 0.00 0.00 61.98 59.41 2hma s VAL 132 Cb -0.08 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 2hma s VAL 132 CO 0.04 0.54 -0.19 0.00 -0.31 0.00 0.00 175.10 175.18 2hma s ALA 133 N 0.43 2.45 -0.16 1.32 0.00 0.13 -4.96 121.76 120.96 2hma s ALA 133 Ca -0.14 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 2hma s ALA 133 Cb -0.17 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 2hma s ALA 133 CO 0.06 0.46 0.14 0.50 0.00 0.00 0.00 175.76 176.92 2hma s ARG 134 N -0.35 3.83 0.96 0.00 3.52 -1.26 -0.40 118.95 125.25 2hma s ARG 134 Ca 0.03 -0.16 -0.13 0.00 -0.13 0.00 0.00 55.73 55.35 2hma s ARG 134 Cb -0.12 -3.31 0.16 0.00 -1.56 0.00 0.00 34.95 30.12 2hma s ARG 134 CO 0.02 0.53 1.12 -0.51 -0.81 0.00 0.00 175.30 175.66 2hma s ASP 135 N -0.32 3.07 0.14 -2.12 -0.00 0.24 -4.88 116.67 112.80 2hma s ASP 135 Ca 0.12 1.01 -0.24 0.00 -0.00 0.00 0.00 52.55 53.44 2hma s ASP 135 Cb -0.12 -1.60 -0.00 0.00 -0.00 0.00 0.00 42.92 41.20 2hma s ASP 135 CO 0.01 -2.83 1.62 -0.33 -0.00 0.00 0.00 175.17 173.64 2hma h GLU 136 N -1.69 -0.32 0.00 8.23 3.07 -1.99 -1.76 114.58 120.11 2hma h GLU 136 Ca -0.52 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 2hma h GLU 136 Cb 1.33 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 2hma h GLU 136 CO 0.59 -0.22 0.00 0.38 -1.40 0.00 0.00 179.01 178.37 2hma h ASP 137 N -0.34 0.00 0.00 1.42 3.04 -2.05 -3.45 116.42 115.05 2hma h ASP 137 Ca 0.11 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.90 2hma h ASP 137 Cb 0.51 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.80 2hma h ASP 137 CO -0.36 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.45 2hma n GLY 138 N -1.00 0.79 3.71 7.15 0.00 -0.66 -5.06 105.19 110.11 2hma n GLY 138 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2hma n GLY 138 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hma s THR 139 N -2.10 4.31 -0.04 2.61 2.01 -1.26 -4.60 115.64 116.57 2hma s THR 139 Ca 0.00 1.65 -0.17 0.00 0.31 0.00 0.00 61.69 63.49 2hma s THR 139 Cb 0.00 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 2hma s THR 139 CO 0.00 0.10 0.45 -0.69 -0.69 0.00 0.00 174.62 173.79 2hma s VAL 140 N 1.26 5.06 0.00 3.82 1.01 -1.26 0.81 120.40 131.09 2hma s VAL 140 Ca 0.56 0.92 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2hma s VAL 140 Cb -0.26 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2hma s VAL 140 CO 0.27 0.48 0.00 0.00 0.00 0.00 0.00 175.10 175.85 2hma n HIS 141 N 2.55 0.00 -3.61 5.22 1.44 0.47 -4.88 115.22 116.40 2hma n HIS 141 Ca -0.11 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.53 2hma n HIS 141 Cb 0.52 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.58 2hma n HIS 141 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2hma s LEU 143 N 0.00 -0.23 0.40 2.39 1.02 0.16 -0.70 118.68 121.72 2hma s LEU 143 Ca 0.00 0.28 -0.25 0.00 0.02 0.00 0.00 54.13 54.18 2hma s LEU 143 Cb 0.00 1.54 -0.11 0.00 0.02 0.00 0.00 46.19 47.64 2hma s LEU 143 CO 0.00 -0.20 1.10 0.54 0.02 0.00 0.00 176.35 177.81 2hma n ARG 144 N 0.80 1.56 -1.64 1.70 1.74 -0.50 -0.21 116.66 120.11 2hma n ARG 144 Ca -0.07 0.56 -0.39 0.00 -0.77 0.00 0.00 57.85 57.17 2hma n ARG 144 Cb 0.58 -2.13 0.03 0.00 -1.02 0.00 0.00 32.46 29.92 2hma n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hma n GLY 145 N 1.06 -0.03 0.25 -0.13 0.00 -1.19 -4.31 105.19 100.84 2hma n GLY 145 Ca 0.08 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2hma n GLY 145 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2hma h VAL 146 N 1.20 0.48 -1.73 1.61 -1.51 -1.75 -3.36 116.25 111.19 2hma h VAL 146 Ca -0.47 -0.73 -0.50 0.00 -1.23 0.00 0.00 66.70 63.76 2hma h VAL 146 Cb 1.34 1.50 -0.07 0.00 -2.13 0.00 0.00 31.29 31.93 2hma h VAL 146 CO 0.55 0.14 1.18 -0.62 -1.23 0.00 0.00 177.57 177.59 2hma s ASP 147 N -6.07 5.84 0.24 4.19 -1.08 -1.26 -4.87 116.67 113.66 2hma s ASP 147 Ca -0.01 -0.50 -0.08 0.00 -0.52 0.00 0.00 52.55 51.44 2hma s ASP 147 Cb 0.12 -2.55 0.40 0.00 -1.46 0.00 0.00 42.92 39.42 2hma s ASP 147 CO 0.59 -2.05 1.63 -1.13 0.52 0.00 0.00 175.17 174.73 2hma h ASN 148 N 11.47 -0.42 0.20 -0.34 -0.73 -1.96 0.11 115.58 123.91 2hma h ASN 148 Ca -0.11 0.20 -0.16 0.00 1.87 0.00 0.00 56.30 58.09 2hma h ASN 148 Cb 1.06 0.36 -0.01 0.00 0.27 0.00 0.00 38.32 40.01 2hma h ASN 148 CO 1.29 -0.19 -0.62 1.23 -0.37 0.00 0.00 177.43 178.77 2hma h GLY 149 N 0.08 0.45 1.11 1.57 0.00 -1.93 -3.23 103.07 101.12 2hma h GLY 149 Ca 0.39 -0.57 -0.33 0.00 0.00 0.00 0.00 47.33 46.82 2hma h GLY 149 CO -0.68 0.51 -1.62 0.50 0.00 0.00 0.00 176.54 175.25 2hma h LYS 150 N 0.30 0.36 0.00 4.80 1.79 -1.89 -3.49 116.57 118.44 2hma h LYS 150 Ca -0.01 -0.61 0.00 0.00 -2.18 0.00 0.00 60.65 57.85 2hma h LYS 150 Cb 1.16 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 2hma h LYS 150 CO 0.11 1.26 0.00 -3.47 -1.08 0.00 0.00 179.45 176.26 2hma n ASP 151 N -3.55 0.00 -1.21 0.86 2.03 0.36 -4.85 116.55 110.18 2hma n ASP 151 Ca -0.20 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.21 2hma n ASP 151 Cb 1.07 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 41.76 2hma n ASP 151 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hma n GLN 152 N 0.00 2.79 -0.21 -0.67 6.02 0.43 -4.45 117.38 121.29 2hma n GLN 152 Ca 0.00 -2.55 0.22 0.00 -0.01 0.00 0.00 57.00 54.66 2hma n GLN 152 Cb 0.00 -1.52 0.58 0.00 1.02 0.00 0.00 30.24 30.32 2hma n GLN 152 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2hma h THR 153 N 3.82 0.64 -0.78 5.09 1.35 -1.89 -0.40 112.91 120.75 2hma h THR 153 Ca 0.00 -0.10 0.14 0.00 -0.55 0.00 0.00 66.41 65.91 2hma h THR 153 Cb 0.95 0.34 -0.10 0.00 -1.73 0.00 0.00 68.15 67.62 2hma h THR 153 CO 0.01 0.05 0.33 0.22 -0.25 0.00 0.00 175.52 175.88 2hma h TYR 154 N 0.28 0.58 0.00 4.73 3.20 -1.97 -0.44 116.97 123.34 2hma h TYR 154 Ca 0.45 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.36 2hma h TYR 154 Cb 1.31 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2hma h TYR 154 CO -0.00 0.09 -0.26 1.19 -1.64 0.00 0.00 178.16 177.53 2hma n PHE 155 N -4.97 0.30 -0.41 -3.82 3.72 -0.18 -3.30 117.46 108.79 2hma n PHE 155 Ca 0.15 0.09 0.09 0.00 -0.05 0.00 0.00 57.45 57.73 2hma n PHE 155 Cb 0.43 -0.55 0.28 0.00 -0.94 0.00 0.00 39.48 38.70 2hma n PHE 155 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2hma n LEU 156 N -1.78 3.87 0.30 4.37 4.77 -0.28 -4.05 117.00 124.21 2hma n LEU 156 Ca 0.06 -2.16 0.16 0.00 -0.03 0.00 0.00 56.01 54.04 2hma n LEU 156 Cb 0.38 -0.44 0.95 0.00 -2.33 0.00 0.00 43.42 41.97 2hma n LEU 156 CO 0.32 0.86 1.13 0.77 -1.33 0.00 0.00 177.39 179.14 2hma h SER 157 N 3.51 0.00 0.15 -1.43 4.64 -1.28 -2.34 113.55 116.81 2hma h SER 157 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hma h SER 157 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2hma h SER 157 CO 0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.96 2hma n GLN 158 N -3.75 1.10 -2.30 4.77 1.13 -1.26 -3.43 117.38 113.64 2hma n GLN 158 Ca -0.03 -0.48 -0.41 0.00 -1.94 0.00 0.00 57.00 54.14 2hma n GLN 158 Cb 0.08 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.91 2hma n GLN 158 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2hma s LEU 159 N -2.23 4.46 0.50 1.08 1.43 -0.88 -4.91 118.68 118.14 2hma s LEU 159 Ca 0.35 2.39 -0.01 0.00 -1.03 0.00 0.00 54.13 55.82 2hma s LEU 159 Cb 0.21 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2hma s LEU 159 CO 0.41 -0.39 0.75 -0.94 0.23 0.00 0.00 176.35 176.41 2hma s SER 160 N -0.19 5.69 0.20 2.29 1.04 -1.26 -4.05 113.70 117.41 2hma s SER 160 Ca 0.51 0.38 -0.11 0.00 0.48 0.00 0.00 55.95 57.21 2hma s SER 160 Cb -0.35 -1.51 0.24 0.00 0.10 0.00 0.00 66.02 64.51 2hma s SER 160 CO 0.42 -0.86 1.73 -0.61 0.98 0.00 0.00 173.24 174.89 2hma h GLN 161 N 0.18 0.32 -0.36 4.02 5.75 -1.69 -1.28 115.11 122.06 2hma h GLN 161 Ca -0.45 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.10 2hma h GLN 161 Cb 1.26 -0.07 -0.09 0.00 1.07 0.00 0.00 27.48 29.65 2hma h GLN 161 CO 0.58 0.21 -0.32 1.49 -2.65 0.00 0.00 178.83 178.14 2hma h GLU 162 N 0.33 -0.26 -0.35 1.69 4.81 -1.95 -1.01 114.58 117.85 2hma h GLU 162 Ca 0.28 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 2hma h GLU 162 Cb 0.37 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2hma h GLU 162 CO -0.32 -0.17 0.10 1.96 -0.73 0.00 0.00 179.01 179.85 2hma h GLN 163 N -0.27 0.56 0.00 1.92 4.20 -1.76 -2.74 115.11 117.03 2hma h GLN 163 Ca 0.16 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2hma h GLN 163 Cb 0.53 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 2hma h GLN 163 CO -0.51 0.60 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.07 2hma h LEU 164 N 0.42 0.00 -2.09 1.46 3.38 -1.07 -2.31 115.31 115.10 2hma h LEU 164 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2hma h LEU 164 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2hma h LEU 164 CO -0.00 0.11 -0.06 1.56 0.09 0.00 0.00 178.44 180.13 2hma h GLN 165 N 0.00 0.00 -0.31 1.13 1.08 -0.86 -2.72 115.11 113.43 2hma h GLN 165 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2hma h GLN 165 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2hma h GLN 165 CO 0.01 0.06 0.00 1.63 -0.95 0.00 0.00 178.83 179.58 2hma n LYS 166 N -4.04 2.94 -1.42 1.46 5.02 -0.88 -5.01 118.16 116.22 2hma n LYS 166 Ca -0.03 -2.49 0.00 0.00 -2.02 0.00 0.00 58.31 53.77 2hma n LYS 166 Cb 0.15 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2hma n LYS 166 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2hma n THR 167 N -0.02 0.00 -2.77 -0.18 -1.04 -1.03 -1.02 114.28 108.21 2hma n THR 167 Ca 0.17 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.16 2hma n THR 167 Cb 0.69 -0.57 0.02 0.00 -1.82 0.00 0.00 70.33 68.65 2hma n THR 167 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2hma s PHE 169 N 0.15 -0.82 0.57 -1.42 0.08 -1.26 -4.93 117.98 110.35 2hma s PHE 169 Ca 0.00 -0.15 0.40 0.00 0.12 0.00 0.00 56.93 57.30 2hma s PHE 169 Cb 0.00 0.16 2.14 0.00 -0.57 0.00 0.00 43.02 44.75 2hma s PHE 169 CO 0.00 -0.62 2.29 -1.35 -0.10 0.00 0.00 175.22 175.44 2hma h PRO 170 N 4.96 0.00 -0.01 0.24 0.11 -1.86 -2.16 132.00 133.28 2hma h PRO 170 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2hma h PRO 170 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2hma h PRO 170 CO -0.05 0.01 -0.05 1.28 -0.21 0.00 0.00 178.00 178.98 2hma n LEU 171 N -3.24 1.55 0.16 2.35 4.77 -1.26 -4.48 117.00 116.84 2hma n LEU 171 Ca -0.02 -0.50 0.18 0.00 -0.03 0.00 0.00 56.01 55.63 2hma n LEU 171 Cb 0.12 -0.02 0.79 0.00 -2.33 0.00 0.00 43.42 41.97 2hma n LEU 171 CO 0.23 0.26 1.16 1.23 -1.33 0.00 0.00 177.39 178.94 2hma h GLY 172 N 4.86 0.00 -2.30 -0.72 0.00 -1.42 0.83 103.07 104.31 2hma h GLY 172 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hma h GLY 172 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 2hma n HIS 173 N -3.87 1.08 -4.31 5.60 8.25 -1.26 -2.43 115.22 118.29 2hma n HIS 173 Ca 0.04 -0.62 -0.29 0.00 -0.26 0.00 0.00 57.72 56.58 2hma n HIS 173 Cb 0.42 -0.18 -0.11 0.00 1.12 0.00 0.00 29.99 31.23 2hma n HIS 173 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2hma s LEU 174 N -1.73 2.72 0.05 2.41 1.43 0.28 -4.89 118.68 118.94 2hma s LEU 174 Ca 0.42 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2hma s LEU 174 Cb 0.27 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2hma s LEU 174 CO 0.20 0.18 0.25 -1.61 0.23 0.00 0.00 176.35 175.60 2hma s GLU 175 N -2.13 3.50 0.23 1.70 2.02 -1.26 -4.08 118.70 118.67 2hma s GLU 175 Ca 0.18 -0.27 -0.15 0.00 0.02 0.00 0.00 54.97 54.75 2hma s GLU 175 Cb -0.11 -3.03 0.26 0.00 0.10 0.00 0.00 34.13 31.36 2hma s GLU 175 CO 0.10 0.61 1.57 -0.22 0.02 0.00 0.00 175.26 177.34 2hma h LYS 176 N 3.40 -0.04 -0.49 1.61 1.63 -1.96 0.82 116.57 121.54 2hma h LYS 176 Ca -0.47 0.00 0.11 0.00 -0.85 0.00 0.00 60.65 59.44 2hma h LYS 176 Cb 1.18 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 2hma h LYS 176 CO 0.72 -0.03 0.34 -1.35 -3.45 0.00 0.00 179.45 175.67 2hma h PRO 177 N -0.05 0.17 -0.17 1.90 0.11 -2.00 -1.71 132.00 130.26 2hma h PRO 177 Ca 0.34 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.40 2hma h PRO 177 Cb 0.60 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 2hma h PRO 177 CO -0.86 0.11 -0.08 0.93 -0.21 0.00 0.00 178.00 177.89 2hma h GLU 178 N 0.17 0.36 -0.68 1.05 5.08 -1.25 -1.18 114.58 118.13 2hma h GLU 178 Ca 0.23 -0.16 0.14 0.00 -1.00 0.00 0.00 59.36 58.57 2hma h GLU 178 Cb 0.68 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.82 2hma h GLU 178 CO -0.04 0.66 0.16 0.28 -1.00 0.00 0.00 179.01 179.08 2hma h VAL 179 N 0.04 0.58 -0.58 3.13 2.07 -0.94 0.56 116.25 121.12 2hma h VAL 179 Ca 0.04 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2hma h VAL 179 Cb 0.55 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2hma h VAL 179 CO 0.02 0.05 0.38 0.03 0.02 0.00 0.00 177.57 178.08 2hma h ARG 180 N 0.28 0.76 -0.48 1.57 3.08 -1.22 -1.12 114.38 117.24 2hma h ARG 180 Ca 0.37 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.33 2hma h ARG 180 Cb 0.59 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2hma h ARG 180 CO -0.46 0.50 0.12 -0.09 -1.07 0.00 0.00 179.97 178.97 2hma h ARG 181 N 0.78 0.77 -1.00 0.04 2.43 0.31 -0.88 114.38 116.83 2hma h ARG 181 Ca 0.21 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2hma h ARG 181 Cb -0.09 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 2hma h ARG 181 CO -0.05 0.75 0.67 -0.07 -1.51 0.00 0.00 179.97 179.76 2hma h LEU 182 N 0.65 1.15 -0.30 3.80 3.38 0.19 -0.73 115.31 123.44 2hma h LEU 182 Ca 0.15 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2hma h LEU 182 Cb 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2hma h LEU 182 CO 0.00 0.82 0.01 0.00 0.09 0.00 0.00 178.44 179.37 2hma h ALA 183 N 1.37 0.41 -0.40 1.53 0.00 -0.85 -2.14 119.26 119.18 2hma h ALA 183 Ca 0.37 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2hma h ALA 183 Cb -0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2hma h ALA 183 CO -0.09 0.14 0.04 1.49 0.00 0.00 0.00 179.25 180.84 2hma h GLU 184 N 0.33 0.68 0.00 0.00 4.81 -0.91 -1.16 114.58 118.33 2hma h GLU 184 Ca 0.09 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 2hma h GLU 184 Cb 0.41 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2hma h GLU 184 CO 0.01 0.74 -0.28 0.93 -0.73 0.00 0.00 179.01 179.68 2hma h GLU 185 N 0.52 0.00 -0.00 1.92 5.08 -1.11 -0.49 114.58 120.49 2hma h GLU 185 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2hma h GLU 185 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2hma h GLU 185 CO 0.01 0.28 -0.04 0.00 -1.00 0.00 0.00 179.01 178.26 2hma n ALA 186 N -2.38 2.60 -2.67 3.43 0.00 -0.81 -4.93 120.51 115.75 2hma n ALA 186 Ca -0.02 -0.19 -0.18 0.00 0.00 0.00 0.00 53.44 53.05 2hma n ALA 186 Cb 0.37 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.40 2hma n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hma n GLY 187 N 1.28 -0.34 3.74 0.00 0.00 -0.19 -4.98 105.19 104.71 2hma n GLY 187 Ca 0.14 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2hma n GLY 187 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hma s LEU 188 N -5.43 4.49 0.57 0.99 1.43 -0.51 -4.92 118.68 115.30 2hma s LEU 188 Ca 0.15 2.20 0.35 0.00 -1.03 0.00 0.00 54.13 55.80 2hma s LEU 188 Cb -0.07 -3.61 1.69 0.00 0.03 0.00 0.00 46.19 44.23 2hma s LEU 188 CO 0.19 -0.26 2.12 0.77 0.23 0.00 0.00 176.35 179.40 2hma h SER 189 N 4.81 0.00 -0.05 2.29 4.64 -1.91 -1.07 113.55 122.25 2hma h SER 189 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2hma h SER 189 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2hma h SER 189 CO 0.72 0.04 0.00 0.35 -0.87 0.00 0.00 176.83 177.07 2hma n THR 190 N -3.25 0.07 -0.22 2.95 -2.24 -1.26 -4.46 114.28 105.86 2hma n THR 190 Ca -0.01 -0.12 0.02 0.00 -2.27 0.00 0.00 64.05 61.67 2hma n THR 190 Cb 0.22 -0.06 0.13 0.00 -2.10 0.00 0.00 70.33 68.53 2hma n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hma h ALA 191 N 3.78 0.87 -0.17 6.98 0.00 -1.50 -0.94 119.26 128.29 2hma h ALA 191 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2hma h ALA 191 Cb 0.18 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2hma h ALA 191 CO 0.00 -0.21 0.00 1.63 0.00 0.00 0.00 179.25 180.67 2hma n LYS 192 N -5.02 2.03 -2.17 0.00 4.76 -1.26 -4.85 118.16 111.65 2hma n LYS 192 Ca 0.11 -1.53 -0.42 0.00 -2.87 0.00 0.00 58.31 53.60 2hma n LYS 192 Cb 0.33 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.04 2hma n LYS 192 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2hma s LYS 193 N -1.80 4.23 0.36 1.97 2.20 -0.36 -4.98 119.74 121.37 2hma s LYS 193 Ca 0.34 2.00 -0.26 0.00 -0.36 0.00 0.00 55.97 57.69 2hma s LYS 193 Cb 0.20 -3.77 -0.09 0.00 -1.51 0.00 0.00 37.83 32.66 2hma s LYS 193 CO 0.30 -0.71 1.12 0.15 -0.36 0.00 0.00 175.35 175.85 2hma s LYS 194 N 3.24 4.28 0.29 4.03 -0.14 -1.26 -4.62 119.74 125.56 2hma s LYS 194 Ca 0.66 1.75 -0.28 0.00 -1.36 0.00 0.00 55.97 56.73 2hma s LYS 194 Cb -0.30 -2.81 -0.09 0.00 -1.68 0.00 0.00 37.83 32.94 2hma s LYS 194 CO 0.25 -0.10 1.01 -0.51 -0.76 0.00 0.00 175.35 175.24 2hma s ASP 195 N -1.15 7.35 0.26 2.83 1.11 -1.26 -4.99 116.67 120.82 2hma s ASP 195 Ca 0.53 2.04 -0.29 0.00 0.18 0.00 0.00 52.55 55.01 2hma s ASP 195 Cb -0.29 -2.61 -0.09 0.00 1.07 0.00 0.00 42.92 41.00 2hma s ASP 195 CO 0.37 -0.07 1.27 -0.94 1.18 0.00 0.00 175.17 176.98 2hma s SER 196 N -1.22 6.93 0.30 0.27 1.04 -1.26 -5.03 113.70 114.73 2hma s SER 196 Ca 0.46 2.48 0.04 0.00 0.48 0.00 0.00 55.95 59.41 2hma s SER 196 Cb -0.26 -2.63 -0.02 0.00 0.10 0.00 0.00 66.02 63.21 2hma s SER 196 CO 0.33 -0.45 0.45 0.42 0.98 0.00 0.00 173.24 174.96 2hma s THR 197 N -0.58 4.90 0.09 2.02 -4.23 -1.26 -5.01 115.64 111.56 2hma s THR 197 Ca 0.51 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 2hma s THR 197 Cb -0.37 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 69.73 2hma s THR 197 CO 0.44 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 2hma n GLY 198 N -1.59 -2.08 3.76 3.99 0.00 -1.26 -4.59 105.19 103.42 2hma n GLY 198 Ca -0.06 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 2hma n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hma s ILE 199 N -1.14 2.32 0.15 -0.61 -1.09 -1.26 -4.85 121.20 114.72 2hma s ILE 199 Ca 0.00 0.25 -0.24 0.00 -2.23 0.00 0.00 60.65 58.43 2hma s ILE 199 Cb 0.00 -3.13 0.03 0.00 -1.58 0.00 0.00 42.46 37.78 2hma s ILE 199 CO 0.00 0.01 1.61 0.00 -1.23 0.00 0.00 174.94 175.32 2hma h PHE 201 N -0.30 0.00 0.05 0.00 -0.00 -1.98 -2.96 116.94 111.75 2hma h PHE 201 Ca 0.14 0.00 -0.28 0.00 -0.00 0.00 0.00 57.97 57.83 2hma h PHE 201 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.46 2hma h PHE 201 CO -0.48 0.22 -1.49 0.97 -0.00 0.00 0.00 178.31 177.53 2hma h ILE 202 N 0.00 1.16 0.00 0.88 -0.00 -1.91 -3.49 117.51 114.15 2hma h ILE 202 Ca -0.00 -2.89 0.00 0.00 -0.00 0.00 0.00 64.86 61.97 2hma h ILE 202 Cb 0.76 2.66 0.00 0.00 -0.00 0.00 0.00 36.82 40.24 2hma h ILE 202 CO 0.03 0.76 0.00 0.61 -0.00 0.00 0.00 178.15 179.54 2hma n GLY 203 N 1.58 3.95 0.11 8.18 0.00 -0.64 -1.52 105.19 116.86 2hma n GLY 203 Ca -0.14 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2hma n GLY 203 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2hma h GLU 204 N 0.00 0.00 -7.06 1.61 4.11 -1.90 -3.44 114.58 107.89 2hma h GLU 204 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 2hma h GLU 204 Cb 0.00 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.29 2hma h GLU 204 CO 0.00 0.00 0.40 -1.59 0.07 0.00 0.00 179.01 177.89 2hma s LYS 205 N -3.29 3.73 0.06 1.06 -2.85 -0.57 -4.95 119.74 112.92 2hma s LYS 205 Ca 0.02 1.45 -0.34 0.00 -1.00 0.00 0.00 55.97 56.10 2hma s LYS 205 Cb 0.10 -2.12 -0.12 0.00 -2.06 0.00 0.00 37.83 33.62 2hma s LYS 205 CO 0.76 -0.50 1.74 -1.71 0.10 0.00 0.00 175.35 175.74 2hma n ASN 206 N -0.94 3.39 -0.19 0.03 2.85 -1.26 -4.91 115.26 114.22 2hma n ASN 206 Ca 0.09 1.02 -0.08 0.00 -0.11 0.00 0.00 54.58 55.50 2hma n ASN 206 Cb 0.52 -1.42 0.02 0.00 1.24 0.00 0.00 39.78 40.13 2hma n ASN 206 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 2hma h PHE 207 N 7.67 0.89 -0.80 1.20 3.57 -1.94 -0.86 116.94 126.67 2hma h PHE 207 Ca -0.47 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 60.90 2hma h PHE 207 Cb 1.26 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 2hma h PHE 207 CO 0.75 0.76 0.35 -0.22 -2.23 0.00 0.00 178.31 177.72 2hma h LYS 208 N 0.77 1.18 -0.29 1.11 3.64 -2.00 -1.96 116.57 119.02 2hma h LYS 208 Ca 0.18 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 2hma h LYS 208 Cb 0.29 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2hma h LYS 208 CO -0.00 0.94 -0.10 -0.91 -2.27 0.00 0.00 179.45 177.10 2hma h ASN 209 N 1.15 0.60 0.30 4.20 2.35 -1.89 -2.36 115.58 119.93 2hma h ASN 209 Ca 0.27 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2hma h ASN 209 Cb 0.18 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 2hma h ASN 209 CO -0.03 0.85 -0.38 0.15 -1.65 0.00 0.00 177.43 176.36 2hma h PHE 210 N 0.34 -1.05 -0.69 1.19 3.57 -0.89 -2.97 116.94 116.44 2hma h PHE 210 Ca 0.07 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 2hma h PHE 210 Cb 0.60 0.42 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 2hma h PHE 210 CO 0.06 -0.52 0.18 1.25 -2.23 0.00 0.00 178.31 177.04 2hma h LEU 211 N -0.73 1.03 -0.66 0.59 5.85 -1.40 -2.15 115.31 117.85 2hma h LEU 211 Ca -0.01 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2hma h LEU 211 Cb 0.69 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2hma h LEU 211 CO -0.12 0.99 0.00 -1.54 -0.34 0.00 0.00 178.44 177.43 2hma n SER 212 N -4.24 0.42 0.27 1.25 3.41 -0.89 -0.53 113.62 113.31 2hma n SER 212 Ca 0.05 0.64 0.16 0.00 -0.26 0.00 0.00 58.87 59.46 2hma n SER 212 Cb 0.25 -0.71 0.60 0.00 -0.26 0.00 0.00 64.21 64.09 2hma n SER 212 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2hma h ASN 213 N 0.00 0.00 0.00 4.04 -1.24 -1.22 -3.37 115.58 113.79 2hma h ASN 213 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 2hma h ASN 213 Cb 0.20 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.24 2hma h ASN 213 CO 0.00 0.00 -1.07 -1.22 -1.29 0.00 0.00 177.43 173.85 2hma n TYR 214 N -3.10 0.00 -5.25 0.67 4.01 -0.30 -5.03 117.16 108.16 2hma n TYR 214 Ca 0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.44 2hma n TYR 214 Cb 0.34 -0.05 -0.16 0.00 -0.31 0.00 0.00 39.34 39.16 2hma n TYR 214 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2hma s LEU 215 N -4.41 2.09 0.12 7.72 1.43 0.31 -5.09 118.68 120.85 2hma s LEU 215 Ca -0.01 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 52.27 2hma s LEU 215 Cb 0.00 -1.38 -0.09 0.00 0.03 0.00 0.00 46.19 44.76 2hma s LEU 215 CO 0.04 0.24 1.47 -2.16 0.23 0.00 0.00 176.35 176.17 2hma s PRO 216 N -0.13 4.27 -0.05 1.29 0.04 -1.26 -4.27 135.00 134.88 2hma s PRO 216 Ca -0.04 2.18 -0.19 0.00 0.04 0.00 0.00 61.00 62.99 2hma s PRO 216 Cb -0.14 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 2hma s PRO 216 CO 0.04 -0.52 0.54 0.00 0.04 0.00 0.00 177.00 177.09 2hma s ALA 217 N 1.29 3.49 -0.38 8.56 0.00 -1.26 -5.02 121.76 128.45 2hma s ALA 217 Ca 0.67 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.58 2hma s ALA 217 Cb -0.39 -2.68 0.11 0.00 0.00 0.00 0.00 23.12 20.16 2hma s ALA 217 CO 0.30 0.12 0.13 1.14 0.00 0.00 0.00 175.76 177.45 2hma s GLN 218 N 0.10 1.33 0.53 0.00 -2.07 -1.26 -5.01 119.66 113.27 2hma s GLN 218 Ca 0.29 -1.81 -0.21 0.00 -1.82 0.00 0.00 55.36 51.80 2hma s GLN 218 Cb -0.17 -2.76 -0.07 0.00 -1.09 0.00 0.00 33.01 28.92 2hma s GLN 218 CO 0.14 -1.02 1.10 -0.35 -1.32 0.00 0.00 175.29 173.85 2hma n PRO 219 N 4.10 1.30 0.00 9.60 -0.04 -1.24 -4.19 135.00 144.53 2hma n PRO 219 Ca 0.03 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 2hma n PRO 219 Cb 0.39 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 2hma n PRO 219 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hma n GLY 220 N 1.09 4.58 0.00 0.55 0.00 -1.15 -4.93 105.19 105.34 2hma n GLY 220 Ca 0.11 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2hma n GLY 220 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hma n ARG 221 N 0.00 3.12 -2.41 1.61 5.12 -1.19 -1.36 116.66 121.55 2hma n ARG 221 Ca 0.00 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 2hma n ARG 221 Cb 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.34 2hma n ARG 221 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2hma s THR 224 N 1.98 3.13 0.62 0.55 -4.23 0.32 -1.46 115.64 116.56 2hma s THR 224 Ca 0.00 -0.20 0.40 0.00 -1.18 0.00 0.00 61.69 60.71 2hma s THR 224 Cb 0.00 -3.26 0.42 0.00 1.34 0.00 0.00 72.50 70.99 2hma s THR 224 CO 0.00 -0.26 2.32 0.58 -0.54 0.00 0.00 174.62 176.73 2hma h VAL 225 N -0.24 0.17 -0.57 2.29 2.07 -1.91 0.42 116.25 118.48 2hma h VAL 225 Ca -0.45 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2hma h VAL 225 Cb 1.28 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2hma h VAL 225 CO 0.59 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.66 2hma n ASP 226 N -3.32 3.13 0.00 0.57 8.00 -1.26 -4.93 116.55 118.74 2hma n ASP 226 Ca -0.03 -2.03 0.00 0.00 0.71 0.00 0.00 54.79 53.45 2hma n ASP 226 Cb 0.09 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 2hma n ASP 226 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hma n GLY 227 N 1.38 0.77 3.70 0.44 0.00 0.14 -5.04 105.19 106.58 2hma n GLY 227 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2hma n GLY 227 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hma s ARG 228 N -0.55 4.39 1.08 1.61 0.52 -1.25 -4.77 118.95 119.99 2hma s ARG 228 Ca 0.00 1.68 -0.16 0.00 -0.52 0.00 0.00 55.73 56.73 2hma s ARG 228 Cb 0.00 -3.48 0.23 0.00 0.52 0.00 0.00 34.95 32.22 2hma s ARG 228 CO 0.00 -0.35 1.14 0.34 0.02 0.00 0.00 175.30 176.44 2hma s ASP 229 N 1.31 1.95 0.45 0.23 2.15 -1.26 -0.52 116.67 120.97 2hma s ASP 229 Ca 0.56 0.75 -0.00 0.00 0.43 0.00 0.00 52.55 54.29 2hma s ASP 229 Cb -0.26 -1.11 0.02 0.00 -0.30 0.00 0.00 42.92 41.27 2hma s ASP 229 CO 0.25 -3.50 0.11 0.61 -0.17 0.00 0.00 175.17 172.47 2hma n GLY 231 N -1.54 0.66 3.77 2.66 0.00 -1.26 -4.95 105.19 104.53 2hma n GLY 231 Ca 0.11 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.81 2hma n GLY 231 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hma s GLU 232 N -2.71 4.04 0.56 1.61 2.12 -1.26 -4.53 118.70 118.54 2hma s GLU 232 Ca 0.07 -0.03 -0.01 0.00 0.36 0.00 0.00 54.97 55.36 2hma s GLU 232 Cb -0.00 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 31.05 2hma s GLU 232 CO 0.05 0.40 0.81 -3.38 -0.54 0.00 0.00 175.26 172.60 2hma s HIS 233 N 0.01 3.00 -0.59 5.30 -3.43 -0.46 -4.78 115.29 114.33 2hma s HIS 233 Ca 0.14 0.20 0.24 0.00 -0.80 0.00 0.00 55.06 54.84 2hma s HIS 233 Cb -0.12 -2.73 0.28 0.00 -1.43 0.00 0.00 32.58 28.57 2hma s HIS 233 CO 0.03 -0.85 1.27 0.00 -2.00 0.00 0.00 174.74 173.18 2hma h ALA 234 N -0.00 0.55 0.00 -1.38 0.00 -1.88 -3.04 119.26 113.51 2hma h ALA 234 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2hma h ALA 234 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2hma h ALA 234 CO 0.56 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2hma n GLY 235 N 1.32 4.71 2.32 0.00 0.00 -1.26 -3.71 105.19 108.58 2hma n GLY 235 Ca 0.03 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 2hma n GLY 235 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hma n LEU 236 N 0.00 1.10 0.00 0.99 4.77 -1.26 -4.37 117.00 118.23 2hma n LEU 236 Ca 0.00 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 2hma n LEU 236 Cb 0.00 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2hma n LEU 236 CO 0.00 -0.00 0.00 -1.22 -1.33 0.00 0.00 177.39 174.84 2hma n TYR 238 N 2.75 0.00 -4.05 -1.77 4.01 -1.26 -4.71 117.16 112.13 2hma n TYR 238 Ca 0.08 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.69 2hma n TYR 238 Cb 0.18 -0.22 -0.11 0.00 -0.31 0.00 0.00 39.34 38.88 2hma n TYR 238 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2hma s TYR 239 N 0.00 0.57 0.10 -0.72 2.02 -1.26 -4.81 117.35 113.25 2hma s TYR 239 Ca 0.00 -0.48 0.08 0.00 -0.37 0.00 0.00 57.07 56.29 2hma s TYR 239 Cb 0.00 -0.35 -0.03 0.00 -0.40 0.00 0.00 41.96 41.17 2hma s TYR 239 CO 0.00 -0.10 -0.19 0.99 -1.57 0.00 0.00 175.55 174.68 2hma s THR 240 N -1.33 1.59 -0.17 -0.71 2.01 -1.26 -5.04 115.64 110.73 2hma s THR 240 Ca -0.11 -1.51 -0.38 0.00 0.31 0.00 0.00 61.69 60.00 2hma s THR 240 Cb -0.10 -1.47 -0.15 0.00 0.01 0.00 0.00 72.50 70.79 2hma s THR 240 CO 0.00 -0.11 1.69 -0.38 -0.69 0.00 0.00 174.62 175.14 2hma n ILE 241 N 1.09 0.29 0.00 1.82 2.08 -1.26 -1.78 119.36 121.60 2hma n ILE 241 Ca -0.20 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.06 2hma n ILE 241 Cb 0.54 -1.27 0.00 0.00 -0.75 0.00 0.00 39.64 38.16 2hma n ILE 241 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2hma n GLY 242 N 3.91 0.15 3.77 7.39 0.00 0.30 -4.90 105.19 115.80 2hma n GLY 242 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 2hma n GLY 242 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2hma s GLN 243 N -0.93 3.94 -0.08 1.61 -2.07 -0.73 -4.64 119.66 116.76 2hma s GLN 243 Ca 0.00 1.93 -0.18 0.00 -1.82 0.00 0.00 55.36 55.29 2hma s GLN 243 Cb 0.00 -2.64 -0.05 0.00 -1.09 0.00 0.00 33.01 29.24 2hma s GLN 243 CO 0.00 -0.44 0.47 0.50 -1.32 0.00 0.00 175.29 174.50 2hma s ARG 244 N -2.37 4.26 3.28 9.60 3.52 -1.26 -1.20 118.95 134.78 2hma s ARG 244 Ca 0.59 0.46 0.00 0.00 -0.13 0.00 0.00 55.73 56.65 2hma s ARG 244 Cb -0.33 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 2hma s ARG 244 CO 0.41 0.29 0.00 0.41 -0.81 0.00 0.00 175.30 175.60 2hma n GLY 245 N 2.90 0.96 0.00 8.12 0.00 -0.56 -5.01 105.19 111.60 2hma n GLY 245 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2hma n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hma n GLY 246 N 0.00 1.08 3.63 -0.02 0.00 -1.26 -4.77 105.19 103.85 2hma n GLY 246 Ca 0.00 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 2hma n GLY 246 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hma n LEU 247 N 0.00 3.71 -0.16 0.99 4.77 -1.26 -1.04 117.00 124.00 2hma n LEU 247 Ca 0.00 0.54 -0.02 0.00 -0.03 0.00 0.00 56.01 56.50 2hma n LEU 247 Cb 0.00 -1.54 -0.01 0.00 -2.33 0.00 0.00 43.42 39.54 2hma n LEU 247 CO 0.00 -0.26 -0.02 0.61 -1.33 0.00 0.00 177.39 176.39 2hma n GLY 248 N 5.18 0.52 3.22 -0.72 0.00 -1.26 -4.45 105.19 107.68 2hma n GLY 248 Ca 0.25 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 2hma n GLY 248 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hma n ILE 249 N -2.72 4.74 0.45 -0.61 5.41 -0.20 -4.14 119.36 122.28 2hma n ILE 249 Ca -0.02 -5.38 0.05 0.00 1.00 0.00 0.00 62.75 58.40 2hma n ILE 249 Cb 0.18 -2.40 0.04 0.00 -0.71 0.00 0.00 39.64 36.75 2hma n ILE 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hma n GLY 250 N 2.48 -0.36 7.00 7.39 0.00 -1.26 -4.38 105.19 116.06 2hma n GLY 250 Ca 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2hma n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hma n GLY 251 N 0.64 1.08 1.55 -0.02 0.00 -1.26 -5.09 105.19 102.08 2hma n GLY 251 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2hma n GLY 251 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hma n ASP 256 N 10.15 -7.18 0.08 1.61 4.64 -1.26 -5.10 116.55 119.49 2hma n ASP 256 Ca 0.00 1.26 0.12 0.00 -1.38 0.00 0.00 54.79 54.78 2hma n ASP 256 Cb 0.00 -4.53 0.02 0.00 -1.04 0.00 0.00 41.12 35.57 2hma n ASP 256 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2hma n ASN 257 N -1.54 0.73 -4.78 1.67 3.02 -1.26 -5.01 115.26 108.09 2hma n ASN 257 Ca 0.00 0.20 -0.33 0.00 -0.03 0.00 0.00 54.58 54.42 2hma n ASN 257 Cb 0.16 0.56 0.02 0.00 -0.61 0.00 0.00 39.78 39.91 2hma n ASN 257 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hma s ALA 258 N -3.32 2.63 0.56 5.41 0.00 -1.26 -4.99 121.76 120.79 2hma s ALA 258 Ca 0.01 0.57 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 2hma s ALA 258 Cb 0.11 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 2hma s ALA 258 CO 0.79 -0.95 1.00 -1.25 0.00 0.00 0.00 175.76 175.34 2hma s PRO 259 N -3.83 3.77 0.09 0.00 0.04 -1.26 -5.02 135.00 128.78 2hma s PRO 259 Ca 0.67 0.83 0.01 0.00 0.04 0.00 0.00 61.00 62.55 2hma s PRO 259 Cb -0.20 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2hma s PRO 259 CO 0.35 -0.41 0.21 -1.58 0.04 0.00 0.00 177.00 175.61 2hma s TRP 260 N -2.89 3.46 0.15 0.56 0.52 -1.26 -3.86 118.94 115.62 2hma s TRP 260 Ca 0.57 0.19 0.07 0.00 0.02 0.00 0.00 56.10 56.95 2hma s TRP 260 Cb -0.10 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 2hma s TRP 260 CO 0.43 0.56 -0.16 -0.06 0.02 0.00 0.00 176.95 177.74 2hma s PHE 261 N -1.56 1.59 -0.25 -1.98 0.08 0.65 -1.50 117.98 115.01 2hma s PHE 261 Ca 0.34 -0.53 -0.29 0.00 0.12 0.00 0.00 56.93 56.57 2hma s PHE 261 Cb -0.12 -0.80 0.01 0.00 -0.57 0.00 0.00 43.02 41.53 2hma s PHE 261 CO 0.27 0.24 1.04 0.08 -0.10 0.00 0.00 175.22 176.75 2hma s VAL 262 N -2.24 4.65 -0.59 -0.44 1.01 -0.34 -0.95 120.40 121.49 2hma s VAL 262 Ca 0.13 1.96 0.05 0.00 0.00 0.00 0.00 61.98 64.13 2hma s VAL 262 Cb -0.04 -4.33 0.02 0.00 0.00 0.00 0.00 36.38 32.03 2hma s VAL 262 CO 0.05 -0.24 0.57 1.33 0.00 0.00 0.00 175.10 176.81 2hma n VAL 263 N 5.43 0.00 -3.66 2.92 0.24 0.52 -0.54 118.33 123.24 2hma n VAL 263 Ca 0.12 -0.47 0.04 0.00 -2.04 0.00 0.00 64.34 61.98 2hma n VAL 263 Cb 0.46 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 2hma n VAL 263 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2hma s GLY 264 N -0.68 -0.44 0.03 7.63 0.00 -1.14 -4.50 107.32 108.22 2hma s GLY 264 Ca 0.05 0.77 -0.04 0.00 0.00 0.00 0.00 44.72 45.51 2hma s GLY 264 CO 0.10 1.55 0.05 0.54 0.00 0.00 0.00 173.10 175.34 2hma s LYS 265 N -2.05 0.49 -0.36 2.90 1.02 -0.05 -1.11 119.74 120.58 2hma s LYS 265 Ca 0.18 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.48 2hma s LYS 265 Cb 0.06 0.19 0.14 0.00 -0.52 0.00 0.00 37.83 37.70 2hma s LYS 265 CO -0.06 -0.11 0.22 0.34 -0.92 0.00 0.00 175.35 174.82 2hma s ASP 266 N -1.89 2.92 0.32 2.83 -1.08 0.29 -3.86 116.67 116.22 2hma s ASP 266 Ca -0.09 -2.27 0.08 0.00 -0.52 0.00 0.00 52.55 49.75 2hma s ASP 266 Cb -0.04 -0.45 0.79 0.00 -1.46 0.00 0.00 42.92 41.76 2hma s ASP 266 CO -0.03 -0.30 1.80 0.25 0.52 0.00 0.00 175.17 177.41 2hma h LEU 267 N 6.91 0.73 -1.71 -1.34 5.85 -1.87 0.81 115.31 124.69 2hma h LEU 267 Ca 0.07 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2hma h LEU 267 Cb 0.96 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 2hma h LEU 267 CO 0.29 0.28 -0.10 0.77 -0.34 0.00 0.00 178.44 179.33 2hma h SER 268 N 0.72 0.00 -0.05 1.25 4.64 -1.95 -2.17 113.55 115.99 2hma h SER 268 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2hma h SER 268 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2hma h SER 268 CO -0.33 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.01 2hma n LYS 269 N -3.35 0.73 -3.04 4.77 5.02 -0.73 -4.99 118.16 116.57 2hma n LYS 269 Ca -0.01 -1.22 -0.21 0.00 -2.02 0.00 0.00 58.31 54.86 2hma n LYS 269 Cb 0.29 -1.20 0.04 0.00 -0.02 0.00 0.00 35.03 34.13 2hma n LYS 269 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2hma n ASN 270 N 0.55 -5.78 -4.74 4.39 4.05 0.12 -4.79 115.26 109.06 2hma n ASN 270 Ca 0.07 -0.30 -0.35 0.00 0.45 0.00 0.00 54.58 54.44 2hma n ASN 270 Cb 0.27 -4.57 -0.08 0.00 1.23 0.00 0.00 39.78 36.63 2hma n ASN 270 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2hma s ILE 271 N -3.15 4.98 -0.23 -1.44 1.01 -0.28 -3.19 121.20 118.90 2hma s ILE 271 Ca 0.32 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.90 2hma s ILE 271 Cb -0.14 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 2hma s ILE 271 CO 0.39 0.55 0.10 -0.22 0.00 0.00 0.00 174.94 175.76 2hma s LEU 272 N -0.40 3.75 -0.11 2.97 2.96 -0.54 -0.54 118.68 126.77 2hma s LEU 272 Ca 0.10 -0.04 -0.13 0.00 -0.22 0.00 0.00 54.13 53.84 2hma s LEU 272 Cb -0.12 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 2hma s LEU 272 CO 0.02 0.03 0.30 -0.31 -1.32 0.00 0.00 176.35 175.07 2hma s TYR 273 N 1.22 3.55 0.14 5.38 2.02 -0.27 -4.77 117.35 124.62 2hma s TYR 273 Ca 0.06 0.69 0.06 0.00 -0.37 0.00 0.00 57.07 57.51 2hma s TYR 273 Cb -0.14 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 39.11 2hma s TYR 273 CO 0.04 0.42 -0.13 0.14 -1.57 0.00 0.00 175.55 174.46 2hma s VAL 274 N -0.17 1.38 0.06 0.71 -7.23 -1.26 -0.36 120.40 113.53 2hma s VAL 274 Ca 0.18 -1.90 -0.27 0.00 -1.81 0.00 0.00 61.98 58.19 2hma s VAL 274 Cb -0.14 -1.71 0.09 0.00 0.56 0.00 0.00 36.38 35.18 2hma s VAL 274 CO 0.06 -0.53 0.80 -0.83 -0.31 0.00 0.00 175.10 174.30 2hma s GLY 275 N -2.80 -0.49 0.13 2.32 0.00 -0.13 -3.92 107.32 102.44 2hma s GLY 275 Ca 0.14 0.78 -0.04 0.00 0.00 0.00 0.00 44.72 45.59 2hma s GLY 275 CO 0.03 0.25 0.36 1.20 0.00 0.00 0.00 173.10 174.94 2hma s GLN 276 N -3.34 3.59 0.00 2.90 -0.21 -1.26 -0.25 119.66 121.09 2hma s GLN 276 Ca 0.04 -0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.28 2hma s GLN 276 Cb -0.01 -2.87 0.00 0.00 1.00 0.00 0.00 33.01 31.13 2hma s GLN 276 CO -0.09 0.48 0.00 0.41 -2.12 0.00 0.00 175.29 173.97 2hma n GLY 277 N 0.09 1.44 0.36 3.09 0.00 -1.25 -4.49 105.19 104.43 2hma n GLY 277 Ca -0.03 -1.26 0.09 0.00 0.00 0.00 0.00 46.02 44.82 2hma n GLY 277 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2hma h PHE 278 N 0.00 1.10 -0.76 1.61 3.57 -1.93 -2.02 116.94 118.51 2hma h PHE 278 Ca 0.00 0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.26 2hma h PHE 278 Cb 0.00 -0.34 -0.16 0.00 2.79 0.00 0.00 35.95 38.23 2hma h PHE 278 CO 0.00 0.39 0.34 0.66 -2.23 0.00 0.00 178.31 177.47 2hma n TYR 279 N -4.64 2.47 -1.11 0.41 4.01 -1.26 -4.98 117.16 112.06 2hma n TYR 279 Ca 0.20 -1.28 -0.44 0.00 -0.16 0.00 0.00 57.90 56.22 2hma n TYR 279 Cb 0.42 -0.72 -0.06 0.00 -0.31 0.00 0.00 39.34 38.67 2hma n TYR 279 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 2hma n HIS 280 N -0.32 0.57 -0.34 -0.72 -0.00 -0.76 -4.77 115.22 108.88 2hma n HIS 280 Ca 0.43 0.78 0.21 0.00 -0.00 0.00 0.00 57.72 59.14 2hma n HIS 280 Cb 1.40 -1.53 0.44 0.00 -0.00 0.00 0.00 29.99 30.30 2hma n HIS 280 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 2hma h ASP 281 N 2.36 0.58 0.67 0.26 5.19 -1.92 0.40 116.42 123.96 2hma h ASP 281 Ca -0.36 0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.21 2hma h ASP 281 Cb 1.03 0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.64 2hma h ASP 281 CO 0.50 -0.04 -0.04 0.28 -3.12 0.00 0.00 179.24 176.82 2hma h SER 282 N 0.43 0.00 0.00 6.45 0.02 -1.89 -3.45 113.55 115.11 2hma h SER 282 Ca 0.70 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 61.24 2hma h SER 282 Cb 1.50 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.02 2hma h SER 282 CO -0.55 0.04 1.76 0.18 -1.14 0.00 0.00 176.83 177.11 2hma n LEU 283 N -3.20 6.65 0.00 5.07 4.77 0.14 -4.92 117.00 125.51 2hma n LEU 283 Ca -0.01 -3.61 0.00 0.00 -0.03 0.00 0.00 56.01 52.36 2hma n LEU 283 Cb 0.25 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.92 2hma n LEU 283 CO 0.26 1.73 0.00 -1.20 -1.33 0.00 0.00 177.39 176.85 2hma n SER 285 N 3.12 0.00 0.00 -1.43 7.64 -0.07 -0.29 113.62 122.59 2hma n SER 285 Ca 0.58 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.46 2hma n SER 285 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2hma n SER 285 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2hma n THR 286 N -0.44 0.00 -3.69 0.44 -2.24 0.02 -0.89 114.28 107.48 2hma n THR 286 Ca 0.00 -0.34 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 2hma n THR 286 Cb 0.00 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 2hma n THR 286 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2hma s SER 287 N -1.04 -0.37 0.13 3.42 1.04 -1.00 -2.19 113.70 113.67 2hma s SER 287 Ca 0.00 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 2hma s SER 287 Cb 0.00 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 2hma s SER 287 CO 0.00 -1.18 0.09 -1.48 0.98 0.00 0.00 173.24 171.64 2hma s LEU 288 N -2.85 1.71 0.07 2.42 0.05 0.09 -0.28 118.68 119.89 2hma s LEU 288 Ca 0.07 -1.12 0.06 0.00 0.05 0.00 0.00 54.13 53.19 2hma s LEU 288 Cb -0.04 0.44 -0.04 0.00 -2.05 0.00 0.00 46.19 44.51 2hma s LEU 288 CO -0.01 -0.74 -0.10 -1.61 -0.55 0.00 0.00 176.35 173.35 2hma s GLU 289 N -4.02 2.27 0.03 1.48 2.02 -0.64 -0.78 118.70 119.07 2hma s GLU 289 Ca 0.21 -0.92 0.03 0.00 0.02 0.00 0.00 54.97 54.31 2hma s GLU 289 Cb 0.07 -2.36 -0.02 0.00 0.10 0.00 0.00 34.13 31.92 2hma s GLU 289 CO -0.00 0.54 -0.10 0.00 0.02 0.00 0.00 175.26 175.72 2hma s ALA 290 N -1.12 0.78 0.42 5.21 0.00 -0.60 -0.37 121.76 126.08 2hma s ALA 290 Ca 0.19 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.53 2hma s ALA 290 Cb -0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 2hma s ALA 290 CO 0.11 0.10 0.19 -1.54 0.00 0.00 0.00 175.76 174.61 2hma s SER 291 N -1.16 4.42 -1.48 0.00 1.04 -0.19 -2.34 113.70 113.99 2hma s SER 291 Ca -0.03 -1.11 -0.07 0.00 0.48 0.00 0.00 55.95 55.21 2hma s SER 291 Cb -0.08 -0.39 0.02 0.00 0.10 0.00 0.00 66.02 65.67 2hma s SER 291 CO 0.01 -0.59 0.80 0.00 0.98 0.00 0.00 173.24 174.44 2hma n GLN 292 N -1.27 -5.74 -2.42 4.02 1.13 -1.26 -0.52 117.38 111.32 2hma n GLN 292 Ca -0.02 0.83 -0.42 0.00 -1.94 0.00 0.00 57.00 55.45 2hma n GLN 292 Cb 0.65 -5.74 -0.03 0.00 0.11 0.00 0.00 30.24 25.23 2hma n GLN 292 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2hma s VAL 293 N -3.21 4.20 -0.01 5.09 1.01 -1.26 -4.27 120.40 121.95 2hma s VAL 293 Ca 0.42 1.52 0.02 0.00 0.00 0.00 0.00 61.98 63.94 2hma s VAL 293 Cb -0.19 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 2hma s VAL 293 CO 0.52 -0.04 -0.08 -2.28 0.00 0.00 0.00 175.10 173.23 2hma s HIS 294 N 2.61 0.75 0.20 5.22 5.04 0.61 -4.96 115.29 124.76 2hma s HIS 294 Ca 0.56 -0.16 0.10 0.00 -1.54 0.00 0.00 55.06 54.03 2hma s HIS 294 Cb -0.25 -0.51 -0.04 0.00 0.04 0.00 0.00 32.58 31.82 2hma s HIS 294 CO 0.20 -0.05 -0.12 -0.06 -2.34 0.00 0.00 174.74 172.37 2hma s PHE 295 N 0.00 2.54 -0.97 3.88 0.08 -1.26 -0.71 117.98 121.54 2hma s PHE 295 Ca 0.00 -0.26 0.16 0.00 0.12 0.00 0.00 56.93 56.96 2hma s PHE 295 Cb -0.05 -1.22 0.70 0.00 -0.57 0.00 0.00 43.02 41.88 2hma s PHE 295 CO -0.00 0.54 1.52 0.25 -0.10 0.00 0.00 175.22 177.43 2hma n THR 296 N -0.09 0.89 -4.04 0.64 -2.24 -0.73 -4.57 114.28 104.14 2hma n THR 296 Ca -0.10 0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.81 2hma n THR 296 Cb 0.56 -0.96 -0.09 0.00 -2.10 0.00 0.00 70.33 67.75 2hma n THR 296 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hma s ARG 297 N -3.01 0.93 1.02 -0.78 1.70 -1.26 -2.21 118.95 115.34 2hma s ARG 297 Ca 0.08 -1.25 -0.16 0.00 -0.47 0.00 0.00 55.73 53.93 2hma s ARG 297 Cb 0.10 0.29 0.05 0.00 -0.57 0.00 0.00 34.95 34.82 2hma s ARG 297 CO 0.30 -0.28 0.13 -1.91 -1.08 0.00 0.00 175.30 172.45 2hma n GLU 298 N -0.09 -0.78 -3.02 3.89 4.07 -1.26 -4.99 120.64 118.46 2hma n GLU 298 Ca -0.09 -0.20 -0.26 0.00 -0.06 0.00 0.00 57.16 56.56 2hma n GLU 298 Cb 0.63 -1.73 -0.01 0.00 -0.06 0.00 0.00 31.44 30.28 2hma n GLU 298 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 2hma s PRO 300 N -3.43 3.51 0.25 5.31 0.02 -1.26 -5.15 135.00 134.25 2hma s PRO 300 Ca 0.55 -0.08 -0.03 0.00 0.02 0.00 0.00 61.00 61.46 2hma s PRO 300 Cb -0.16 -2.52 0.42 0.00 0.02 0.00 0.00 34.50 32.25 2hma s PRO 300 CO 0.68 -0.03 1.83 0.93 -0.33 0.00 0.00 177.00 180.08 2hma h GLU 301 N 0.49 0.88 -3.14 5.54 4.39 -2.00 -3.43 114.58 117.32 2hma h GLU 301 Ca -0.48 -0.05 -0.23 0.00 0.34 0.00 0.00 59.36 58.93 2hma h GLU 301 Cb 1.21 -0.20 -0.32 0.00 -0.10 0.00 0.00 28.75 29.35 2hma h GLU 301 CO 0.61 0.58 -0.56 -2.00 -1.16 0.00 0.00 179.01 176.48 2hma s GLU 302 N -6.02 0.12 -0.08 2.33 2.12 -1.26 -3.14 118.70 112.77 2hma s GLU 302 Ca -0.12 0.46 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 2hma s GLU 302 Cb 0.20 -0.16 0.11 0.00 0.26 0.00 0.00 34.13 34.53 2hma s GLU 302 CO 0.79 -0.19 0.88 -0.59 -0.54 0.00 0.00 175.26 175.62 2hma s PHE 303 N 1.39 -0.44 0.08 5.30 -0.12 -1.02 -5.02 117.98 118.15 2hma s PHE 303 Ca -0.07 0.63 0.02 0.00 -0.05 0.00 0.00 56.93 57.46 2hma s PHE 303 Cb -0.11 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 2hma s PHE 303 CO -0.07 -0.47 0.13 0.99 -0.05 0.00 0.00 175.22 175.75 2hma s THR 304 N -1.72 4.80 -0.03 -4.49 2.01 -1.26 -1.62 115.64 113.33 2hma s THR 304 Ca -0.02 -0.68 -0.00 0.00 0.31 0.00 0.00 61.69 61.30 2hma s THR 304 Cb -0.00 -3.34 0.03 0.00 0.01 0.00 0.00 72.50 69.19 2hma s THR 304 CO 0.00 0.10 0.03 -0.22 -0.69 0.00 0.00 174.62 173.85 2hma s LEU 305 N -2.51 0.87 -0.34 4.42 2.96 -0.47 -5.00 118.68 118.61 2hma s LEU 305 Ca 0.31 0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 54.16 2hma s LEU 305 Cb -0.12 -0.15 0.02 0.00 0.50 0.00 0.00 46.19 46.45 2hma s LEU 305 CO 0.24 -0.15 0.15 -1.61 -1.32 0.00 0.00 176.35 173.66 2hma s GLU 306 N 1.35 2.86 0.00 1.98 8.01 -1.26 -0.96 118.70 130.68 2hma s GLU 306 Ca -0.05 -1.03 0.00 0.00 0.01 0.00 0.00 54.97 53.89 2hma s GLU 306 Cb -0.13 -3.57 0.00 0.00 -4.31 0.00 0.00 34.13 26.12 2hma s GLU 306 CO -0.03 -0.62 0.00 0.00 0.01 0.00 0.00 175.26 174.63 2hma s THR 308 N -2.09 2.81 0.06 0.00 -4.23 -0.87 -1.33 115.64 110.00 2hma s THR 308 Ca 0.00 -1.79 -0.06 0.00 -1.18 0.00 0.00 61.69 58.65 2hma s THR 308 Cb 0.00 -2.92 -0.01 0.00 1.34 0.00 0.00 72.50 70.91 2hma s THR 308 CO 0.00 -0.17 0.12 0.00 -0.54 0.00 0.00 174.62 174.03 2hma s ALA 309 N -2.48 -0.06 -0.05 3.99 0.00 0.13 -0.45 121.76 122.85 2hma s ALA 309 Ca 0.37 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.71 2hma s ALA 309 Cb -0.01 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 2hma s ALA 309 CO 0.21 -0.41 -0.18 0.15 0.00 0.00 0.00 175.76 175.53 2hma s LYS 310 N -3.38 2.46 -0.00 0.00 1.02 0.92 -0.86 119.74 119.90 2hma s LYS 310 Ca 0.01 -0.76 0.09 0.00 0.02 0.00 0.00 55.97 55.33 2hma s LYS 310 Cb 0.03 -2.30 -0.10 0.00 -0.52 0.00 0.00 37.83 34.94 2hma s LYS 310 CO -0.08 0.57 0.36 1.19 -0.92 0.00 0.00 175.35 176.47 2hma n PHE 311 N 2.45 0.00 -3.74 3.18 3.72 -1.26 -0.87 117.46 120.94 2hma n PHE 311 Ca -0.17 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.12 2hma n PHE 311 Cb 0.52 -0.03 -0.07 0.00 -0.94 0.00 0.00 39.48 38.96 2hma n PHE 311 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2hma s ARG 312 N -1.96 0.89 0.20 -1.08 1.70 -1.26 -4.60 118.95 112.84 2hma s ARG 312 Ca 0.02 -0.62 -0.10 0.00 -0.47 0.00 0.00 55.73 54.56 2hma s ARG 312 Cb 0.07 0.38 0.14 0.00 -0.57 0.00 0.00 34.95 34.97 2hma s ARG 312 CO 0.37 -0.30 1.83 -0.92 -1.08 0.00 0.00 175.30 175.20 2hma h TYR 313 N 2.91 1.00 -0.99 5.89 3.20 -1.94 -3.23 116.97 123.81 2hma h TYR 313 Ca -0.33 -0.01 -0.66 0.00 3.14 0.00 0.00 58.73 60.87 2hma h TYR 313 Cb 1.21 -0.32 -0.29 0.00 1.54 0.00 0.00 36.73 38.87 2hma h TYR 313 CO 0.41 0.69 0.82 0.54 -1.64 0.00 0.00 178.16 178.98 2hma n ARG 314 N -4.48 2.68 -4.22 1.82 1.74 -1.26 -4.90 116.66 108.04 2hma n ARG 314 Ca 0.07 -3.29 -0.18 0.00 -0.77 0.00 0.00 57.85 53.67 2hma n ARG 314 Cb 0.08 -2.28 -0.11 0.00 -1.02 0.00 0.00 32.46 29.12 2hma n ARG 314 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2hma s GLN 315 N -3.78 0.96 0.80 5.56 -2.07 -1.22 -5.15 119.66 114.76 2hma s GLN 315 Ca 0.64 -1.15 -0.10 0.00 -1.82 0.00 0.00 55.36 52.93 2hma s GLN 315 Cb 0.50 -0.89 0.07 0.00 -1.09 0.00 0.00 33.01 31.61 2hma s GLN 315 CO 0.00 0.18 1.10 -1.25 -1.32 0.00 0.00 175.29 174.00 2hma s PRO 316 N -2.37 2.01 0.61 9.60 0.04 -1.26 -4.92 135.00 138.71 2hma s PRO 316 Ca 0.05 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 2hma s PRO 316 Cb -0.07 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2hma s PRO 316 CO 0.03 -1.84 1.02 0.16 0.04 0.00 0.00 177.00 176.41 2hma s ASP 317 N -3.25 6.25 0.05 6.66 -4.77 -1.26 -4.82 116.67 115.53 2hma s ASP 317 Ca 0.62 1.42 -0.04 0.00 -3.30 0.00 0.00 52.55 51.25 2hma s ASP 317 Cb -0.18 -2.47 -0.02 0.00 -1.09 0.00 0.00 42.92 39.16 2hma s ASP 317 CO 0.56 -0.85 0.06 -0.94 0.70 0.00 0.00 175.17 174.70 2hma s SER 318 N -4.12 0.30 0.46 2.11 1.04 -0.04 -4.84 113.70 108.60 2hma s SER 318 Ca 0.55 -0.76 -0.24 0.00 0.48 0.00 0.00 55.95 55.99 2hma s SER 318 Cb -0.11 0.24 -0.07 0.00 0.10 0.00 0.00 66.02 66.17 2hma s SER 318 CO 0.53 -0.59 1.30 -0.54 0.98 0.00 0.00 173.24 174.91 2hma s LYS 319 N -3.40 3.67 -0.26 4.02 1.02 -1.26 -0.69 119.74 122.84 2hma s LYS 319 Ca 0.02 2.11 -0.22 0.00 0.02 0.00 0.00 55.97 57.90 2hma s LYS 319 Cb 0.04 -2.53 0.07 0.00 -0.52 0.00 0.00 37.83 34.88 2hma s LYS 319 CO -0.08 -0.72 0.68 0.08 -0.92 0.00 0.00 175.35 174.39 2hma s VAL 320 N -1.33 -0.00 -0.19 3.17 1.01 -0.44 -1.97 120.40 120.64 2hma s VAL 320 Ca 0.63 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 2hma s VAL 320 Cb -0.37 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2hma s VAL 320 CO 0.46 0.00 0.07 -0.89 0.00 0.00 0.00 175.10 174.74 2hma s THR 321 N 0.66 4.81 -0.14 3.92 2.01 -0.45 -1.73 115.64 124.72 2hma s THR 321 Ca -0.02 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.98 2hma s THR 321 Cb -0.05 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.28 2hma s THR 321 CO -0.04 0.44 -0.21 0.54 -0.69 0.00 0.00 174.62 174.66 2hma s VAL 322 N 0.56 2.18 -0.36 3.82 0.11 -0.13 -0.45 120.40 126.12 2hma s VAL 322 Ca 0.04 -0.94 -0.10 0.00 -2.93 0.00 0.00 61.98 58.05 2hma s VAL 322 Cb -0.13 -1.88 0.03 0.00 -1.53 0.00 0.00 36.38 32.87 2hma s VAL 322 CO 0.01 0.54 0.18 -1.00 -3.33 0.00 0.00 175.10 171.51 2hma s HIS 323 N 0.83 3.24 -0.15 1.54 3.76 0.09 -1.36 115.29 123.24 2hma s HIS 323 Ca -0.06 -1.03 -0.07 0.00 -0.15 0.00 0.00 55.06 53.74 2hma s HIS 323 Cb -0.15 -2.40 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 2hma s HIS 323 CO -0.02 -0.66 0.10 0.08 -0.85 0.00 0.00 174.74 173.40 2hma s VAL 324 N 1.53 5.19 -0.03 -0.90 1.01 -0.64 -0.91 120.40 125.64 2hma s VAL 324 Ca 0.01 0.10 0.25 0.00 0.00 0.00 0.00 61.98 62.34 2hma s VAL 324 Cb -0.19 -3.30 0.44 0.00 0.00 0.00 0.00 36.38 33.33 2hma s VAL 324 CO 0.06 0.54 1.17 0.29 0.00 0.00 0.00 175.10 177.15 2hma n LYS 325 N 2.74 0.22 0.00 2.72 5.02 -0.87 -2.43 118.16 125.56 2hma n LYS 325 Ca -0.18 -2.18 0.00 0.00 -2.02 0.00 0.00 58.31 53.93 2hma n LYS 325 Cb 0.53 -0.20 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 2hma n LYS 325 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hma n GLY 326 N 0.34 1.86 0.11 0.72 0.00 -1.19 -4.48 105.19 102.55 2hma n GLY 326 Ca 0.07 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 2hma n GLY 326 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2hma h GLU 327 N 0.00 0.25 -6.32 1.61 4.11 -1.97 -3.46 114.58 108.80 2hma h GLU 327 Ca 0.00 -0.24 -0.59 0.00 0.07 0.00 0.00 59.36 58.61 2hma h GLU 327 Cb 0.00 0.06 -0.21 0.00 0.50 0.00 0.00 28.75 29.10 2hma h GLU 327 CO 0.00 0.92 -0.83 0.15 0.07 0.00 0.00 179.01 179.32 2hma s LYS 328 N -3.36 1.24 -0.04 1.06 1.02 -1.26 -4.62 119.74 113.77 2hma s LYS 328 Ca -0.15 -1.28 0.04 0.00 0.02 0.00 0.00 55.97 54.60 2hma s LYS 328 Cb 0.02 -1.53 -0.00 0.00 -0.52 0.00 0.00 37.83 35.80 2hma s LYS 328 CO 0.76 0.35 -0.16 0.99 -0.92 0.00 0.00 175.35 176.36 2hma s THR 329 N -1.35 1.36 -0.16 2.17 2.01 -0.99 -2.06 115.64 116.63 2hma s THR 329 Ca 0.11 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 2hma s THR 329 Cb -0.09 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 2hma s THR 329 CO 0.06 0.40 0.01 -0.70 -0.69 0.00 0.00 174.62 173.69 2hma s GLU 330 N 0.10 3.74 -0.20 4.92 2.12 -0.09 -1.56 118.70 127.73 2hma s GLU 330 Ca -0.05 -0.42 -0.01 0.00 0.36 0.00 0.00 54.97 54.85 2hma s GLU 330 Cb -0.12 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.25 2hma s GLU 330 CO 0.02 0.31 -0.15 0.08 -0.54 0.00 0.00 175.26 174.99 2hma s VAL 331 N 0.22 2.49 -0.23 3.70 1.01 0.04 -0.73 120.40 126.89 2hma s VAL 331 Ca 0.01 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 2hma s VAL 331 Cb -0.13 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2hma s VAL 331 CO 0.02 0.49 0.06 -0.63 0.00 0.00 0.00 175.10 175.03 2hma s ILE 332 N 1.35 4.28 0.26 2.22 1.09 0.40 -0.73 121.20 130.07 2hma s ILE 332 Ca 0.05 -0.19 -0.29 0.00 -1.10 0.00 0.00 60.65 59.12 2hma s ILE 332 Cb -0.14 -2.98 -0.09 0.00 -1.06 0.00 0.00 42.46 38.19 2hma s ILE 332 CO -0.10 0.37 0.96 -0.36 -0.10 0.00 0.00 174.94 175.71 2hma s PHE 333 N 1.41 3.88 0.29 3.97 0.08 -0.93 -1.34 117.98 125.33 2hma s PHE 333 Ca 0.05 1.87 -0.01 0.00 0.12 0.00 0.00 56.93 58.96 2hma s PHE 333 Cb -0.15 -3.01 0.44 0.00 -0.57 0.00 0.00 43.02 39.74 2hma s PHE 333 CO 0.03 0.28 1.87 0.00 -0.10 0.00 0.00 175.22 177.29 2hma h ALA 334 N 3.91 1.28 -3.40 5.36 0.00 -1.73 -3.44 119.26 121.24 2hma h ALA 334 Ca -0.46 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.02 2hma h ALA 334 Cb 1.20 -0.23 -0.24 0.00 0.00 0.00 0.00 17.79 18.52 2hma h ALA 334 CO 0.67 0.52 -0.73 -2.00 0.00 0.00 0.00 179.25 177.71 2hma s GLU 335 N -5.34 0.39 0.36 0.00 2.56 -1.26 -5.11 118.70 110.30 2hma s GLU 335 Ca -0.10 -0.48 -0.26 0.00 0.00 0.00 0.00 54.97 54.14 2hma s GLU 335 Cb 0.16 -0.21 -0.13 0.00 2.00 0.00 0.00 34.13 35.96 2hma s GLU 335 CO 0.79 0.04 0.91 -2.30 -0.56 0.00 0.00 175.26 174.14 2hma n PRO 336 N 2.09 1.16 -5.17 4.30 -0.02 -1.26 -4.95 135.00 131.16 2hma n PRO 336 Ca -0.19 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.39 2hma n PRO 336 Cb 0.56 -1.82 -0.15 0.00 -0.02 0.00 0.00 33.50 32.07 2hma n PRO 336 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2hma s GLN 337 N -1.71 2.36 -0.04 -0.52 -1.52 -0.07 -4.88 119.66 113.28 2hma s GLN 337 Ca 0.61 -0.85 -0.20 0.00 -1.95 0.00 0.00 55.36 52.97 2hma s GLN 337 Cb -0.64 -2.18 -0.05 0.00 -0.22 0.00 0.00 33.01 29.92 2hma s GLN 337 CO 0.58 0.53 0.56 0.50 -0.25 0.00 0.00 175.29 177.21 2hma s ARG 338 N -0.51 4.31 -1.40 2.91 3.52 -1.26 -0.90 118.95 125.61 2hma s ARG 338 Ca 0.07 0.64 -0.06 0.00 -0.13 0.00 0.00 55.73 56.25 2hma s ARG 338 Cb -0.11 -3.37 0.04 0.00 -1.56 0.00 0.00 34.95 29.94 2hma s ARG 338 CO 0.01 0.30 0.82 0.00 -0.81 0.00 0.00 175.30 175.61 2hma n ALA 339 N 3.06 -1.70 -1.86 6.12 0.00 0.60 -4.91 120.51 121.82 2hma n ALA 339 Ca -0.07 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 2hma n ALA 339 Cb 0.51 -3.05 -0.03 0.00 0.00 0.00 0.00 19.45 16.88 2hma n ALA 339 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2hma s ILE 340 N -3.52 3.33 -0.28 0.00 -1.09 -1.26 -4.86 121.20 113.52 2hma s ILE 340 Ca 0.29 0.40 -0.04 0.00 -2.23 0.00 0.00 60.65 59.06 2hma s ILE 340 Cb -0.14 -3.26 0.02 0.00 -1.58 0.00 0.00 42.46 37.50 2hma s ILE 340 CO 0.82 -0.04 0.01 -0.89 -1.23 0.00 0.00 174.94 173.62 2hma s THR 341 N 4.24 3.41 0.22 2.92 2.01 -1.26 -4.74 115.64 122.44 2hma s THR 341 Ca 0.80 -0.91 -0.32 0.00 0.31 0.00 0.00 61.69 61.58 2hma s THR 341 Cb -0.37 -2.77 -0.14 0.00 0.01 0.00 0.00 72.50 69.23 2hma s THR 341 CO 0.35 0.11 1.42 -2.65 -0.69 0.00 0.00 174.62 173.16 2hma n PRO 342 N 4.76 1.99 0.00 4.92 -0.02 -1.26 -1.53 135.00 143.86 2hma n PRO 342 Ca -0.15 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2hma n PRO 342 Cb 0.47 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2hma n PRO 342 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hma n GLY 343 N 2.36 3.18 3.82 -1.23 0.00 0.19 -0.51 105.19 113.01 2hma n GLY 343 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2hma n GLY 343 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hma s GLN 344 N -0.40 2.28 0.11 1.61 -1.52 -0.58 -4.10 119.66 117.06 2hma s GLN 344 Ca 0.00 0.60 -0.26 0.00 -1.95 0.00 0.00 55.36 53.75 2hma s GLN 344 Cb 0.00 -1.94 -0.07 0.00 -0.22 0.00 0.00 33.01 30.78 2hma s GLN 344 CO 0.00 -1.48 0.82 0.00 -0.25 0.00 0.00 175.29 174.38 2hma s ALA 345 N -3.20 3.37 -0.18 6.09 0.00 -1.26 0.38 121.76 126.95 2hma s ALA 345 Ca 0.60 0.38 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 2hma s ALA 345 Cb -0.14 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 2hma s ALA 345 CO 0.54 0.13 0.06 0.08 0.00 0.00 0.00 175.76 176.56 2hma s VAL 346 N -0.45 4.75 -0.04 0.00 1.01 -0.49 -4.32 120.40 120.87 2hma s VAL 346 Ca 0.39 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2hma s VAL 346 Cb -0.22 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2hma s VAL 346 CO 0.26 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 175.01 2hma s VAL 347 N 0.35 1.04 -0.10 2.92 1.01 -0.05 -1.11 120.40 124.46 2hma s VAL 347 Ca 0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 2hma s VAL 347 Cb -0.12 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2hma s VAL 347 CO 0.00 0.31 0.09 -0.36 0.00 0.00 0.00 175.10 175.14 2hma s PHE 348 N 0.23 3.42 0.10 5.22 0.08 -0.61 -0.05 117.98 126.38 2hma s PHE 348 Ca -0.05 0.39 0.05 0.00 0.12 0.00 0.00 56.93 57.44 2hma s PHE 348 Cb -0.11 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 2hma s PHE 348 CO 0.01 0.63 -0.14 0.71 -0.10 0.00 0.00 175.22 176.34 2hma s TYR 349 N -0.99 1.31 -0.46 0.36 2.02 0.40 -0.44 117.35 119.56 2hma s TYR 349 Ca 0.15 -0.52 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 2hma s TYR 349 Cb -0.12 -0.71 0.14 0.00 -0.40 0.00 0.00 41.96 40.87 2hma s TYR 349 CO 0.04 0.10 0.26 0.34 -1.57 0.00 0.00 175.55 174.72 2hma s ASP 350 N -2.17 3.66 1.99 2.29 2.15 0.18 -2.05 116.67 122.73 2hma s ASP 350 Ca 0.04 -2.74 0.00 0.00 0.43 0.00 0.00 52.55 50.29 2hma s ASP 350 Cb -0.07 -1.08 0.00 0.00 -0.30 0.00 0.00 42.92 41.47 2hma s ASP 350 CO 0.02 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 2hma n GLY 351 N 3.40 4.12 0.07 2.66 0.00 -1.26 -1.63 105.19 112.56 2hma n GLY 351 Ca 0.10 0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.33 2hma n GLY 351 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2hma n GLU 352 N 13.97 0.66 -3.26 1.61 0.28 -1.26 -4.81 120.64 127.84 2hma n GLU 352 Ca 0.00 -0.15 -0.38 0.00 -0.16 0.00 0.00 57.16 56.47 2hma n GLU 352 Cb 0.00 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.32 2hma n GLU 352 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2hma s GLU 353 N -2.44 4.30 -0.43 3.44 2.12 -0.65 -1.41 118.70 123.63 2hma s GLU 353 Ca 0.31 0.61 -0.21 0.00 0.36 0.00 0.00 54.97 56.04 2hma s GLU 353 Cb 0.20 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 31.23 2hma s GLU 353 CO 0.46 0.28 0.66 0.00 -0.54 0.00 0.00 175.26 176.12 2hma h LEU 355 N 9.73 0.15 0.00 0.00 3.38 -1.10 -3.46 115.31 124.02 2hma h LEU 355 Ca -0.25 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2hma h LEU 355 Cb 1.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2hma h LEU 355 CO 0.90 0.99 0.00 0.61 0.09 0.00 0.00 178.44 181.03 2hma n GLY 356 N 1.03 0.15 0.00 0.83 0.00 -1.24 -1.78 105.19 104.18 2hma n GLY 356 Ca -0.03 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2hma n GLY 356 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hma n GLY 357 N 0.00 0.08 0.00 -0.02 0.00 0.11 -1.57 105.19 103.80 2hma n GLY 357 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2hma n GLY 357 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hma n GLY 358 N -0.37 4.41 3.38 -0.02 0.00 -0.27 -0.28 105.19 112.04 2hma n GLY 358 Ca 0.00 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 2hma n GLY 358 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hma s LEU 359 N 0.00 2.67 -0.05 0.99 1.43 0.32 -1.39 118.68 122.66 2hma s LEU 359 Ca 0.00 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 2hma s LEU 359 Cb 0.00 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 2hma s LEU 359 CO 0.00 0.20 1.50 -0.63 0.23 0.00 0.00 176.35 177.65 2hma s ILE 360 N 0.14 3.70 -0.03 -0.59 1.01 0.16 -1.02 121.20 124.57 2hma s ILE 360 Ca -0.07 0.97 -0.21 0.00 0.00 0.00 0.00 60.65 61.34 2hma s ILE 360 Cb -0.15 -3.62 -0.32 0.00 0.01 0.00 0.00 42.46 38.38 2hma s ILE 360 CO 0.05 -0.05 0.93 0.44 0.00 0.00 0.00 174.94 176.31 2hma h ASP 361 N 8.64 0.56 -3.89 3.58 3.32 -1.05 0.55 116.42 128.14 2hma h ASP 361 Ca -0.37 -0.94 0.13 0.00 0.02 0.00 0.00 57.03 55.88 2hma h ASP 361 Cb 1.17 -0.18 -0.24 0.00 0.22 0.00 0.00 39.33 40.30 2hma h ASP 361 CO 0.94 1.46 0.66 0.20 -1.72 0.00 0.00 179.24 180.78 2hma s ASN 362 N -7.10 -0.27 0.16 6.45 0.01 -1.19 -4.74 114.94 108.26 2hma s ASN 362 Ca -0.13 0.27 0.04 0.00 -0.71 0.00 0.00 52.86 52.34 2hma s ASN 362 Cb 0.02 0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.87 2hma s ASN 362 CO 0.86 -0.27 0.19 0.00 -1.51 0.00 0.00 177.10 176.37 2hma s ALA 363 N -1.24 3.70 0.04 0.60 0.00 -1.26 -1.61 121.76 121.99 2hma s ALA 363 Ca 0.02 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.86 2hma s ALA 363 Cb -0.01 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 2hma s ALA 363 CO -0.02 0.50 -0.13 0.71 0.00 0.00 0.00 175.76 176.82 2hma s TYR 364 N -1.77 1.13 -0.11 0.00 2.02 0.61 -0.76 117.35 118.48 2hma s TYR 364 Ca 0.32 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.63 2hma s TYR 364 Cb -0.10 -0.67 0.04 0.00 -0.40 0.00 0.00 41.96 40.83 2hma s TYR 364 CO 0.25 0.03 0.01 0.50 -1.57 0.00 0.00 175.55 174.77 2hma s ARG 365 N -1.25 0.62 -1.26 -0.62 3.52 -0.68 -0.80 118.95 118.48 2hma s ARG 365 Ca -0.00 -0.05 -0.12 0.00 -0.13 0.00 0.00 55.73 55.43 2hma s ARG 365 Cb -0.08 -1.34 -0.00 0.00 -1.56 0.00 0.00 34.95 31.97 2hma s ARG 365 CO 0.01 -0.41 0.63 -0.25 -0.81 0.00 0.00 175.30 174.47 2hma n ASP 366 N 5.12 -2.92 -3.33 -2.12 8.00 -1.26 -2.78 116.55 117.27 2hma n ASP 366 Ca -0.08 -1.01 -0.23 0.00 0.71 0.00 0.00 54.79 54.18 2hma n ASP 366 Cb 0.49 -3.21 0.06 0.00 -0.02 0.00 0.00 41.12 38.44 2hma n ASP 366 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hma n GLY 367 N -1.82 -0.54 3.23 0.44 0.00 -1.26 -4.99 105.19 100.26 2hma n GLY 367 Ca -0.20 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2hma n GLY 367 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hma s GLN 368 N -6.03 0.35 0.22 1.61 0.74 -1.12 -5.13 119.66 110.29 2hma s GLN 368 Ca 0.45 0.80 -0.32 0.00 0.05 0.00 0.00 55.36 56.34 2hma s GLN 368 Cb -0.20 0.02 -0.13 0.00 1.10 0.00 0.00 33.01 33.80 2hma s GLN 368 CO 0.56 -0.18 1.48 1.55 -0.55 0.00 0.00 175.29 178.15 2hma n VAL 369 N 4.51 0.64 -2.41 1.34 3.14 -1.26 -1.69 118.33 122.60 2hma n VAL 369 Ca -0.20 -0.16 -0.41 0.00 -2.96 0.00 0.00 64.34 60.61 2hma n VAL 369 Cb 0.54 -1.53 -0.04 0.00 -1.06 0.00 0.00 33.84 31.75 2hma n VAL 369 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2hma n GLN 371 N 1.63 1.69 -0.05 0.00 -0.06 -1.26 -4.23 117.38 115.09 2hma n GLN 371 Ca 0.01 -1.74 -0.05 0.00 -2.00 0.00 0.00 57.00 53.23 2hma n GLN 371 Cb 0.44 -2.78 -0.10 0.00 -4.06 0.00 0.00 30.24 23.75 2hma n GLN 371 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2hma n TYR 372 N 6.46 0.00 0.00 3.69 4.01 -1.25 -0.87 117.16 129.20 2hma n TYR 372 Ca 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.22 2hma n TYR 372 Cb 0.32 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.79 2hma n TYR 372 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91