#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aaa s SER 2 N 0.00 5.03 0.11 -1.43 1.04 -1.26 -1.37 113.70 115.81 2aaa s SER 2 Ca 0.00 0.56 -0.20 0.00 0.48 0.00 0.00 55.95 56.79 2aaa s SER 2 Cb 0.00 -1.30 -0.08 0.00 0.10 0.00 0.00 66.02 64.74 2aaa s SER 2 CO 0.00 -1.47 1.73 0.00 0.98 0.00 0.00 173.24 174.48 2aaa h ALA 3 N -0.51 0.25 -0.75 5.32 0.00 -1.95 -2.24 119.26 119.37 2aaa h ALA 3 Ca -0.45 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 54.58 2aaa h ALA 3 Cb 1.30 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 2aaa h ALA 3 CO 0.61 -0.24 0.22 0.00 0.00 0.00 0.00 179.25 179.84 2aaa h ALA 4 N 1.02 1.01 0.00 0.00 0.00 -2.01 -2.05 119.26 117.22 2aaa h ALA 4 Ca 0.07 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2aaa h ALA 4 Cb 0.04 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2aaa h ALA 4 CO -0.01 -0.31 -0.63 0.77 0.00 0.00 0.00 179.25 179.07 2aaa h SER 5 N 0.32 0.00 0.16 0.00 0.02 -1.91 -3.19 113.55 108.95 2aaa h SER 5 Ca 0.42 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.33 2aaa h SER 5 Cb 0.71 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2aaa h SER 5 CO -0.48 0.63 -0.19 -0.50 -1.14 0.00 0.00 176.83 175.14 2aaa h TRP 6 N 0.00 0.06 -0.97 3.45 4.06 -0.76 -3.31 115.95 118.48 2aaa h TRP 6 Ca -0.01 -0.01 0.29 0.00 2.06 0.00 0.00 58.89 61.23 2aaa h TRP 6 Cb 1.18 -0.02 -0.14 0.00 -1.00 0.00 0.00 29.16 29.18 2aaa h TRP 6 CO 0.00 0.25 0.50 0.00 -3.56 0.00 0.00 178.44 175.63 2aaa h ARG 7 N 0.05 0.33 -0.06 0.49 3.08 -1.52 -1.90 114.38 114.85 2aaa h ARG 7 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2aaa h ARG 7 Cb 0.37 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2aaa h ARG 7 CO 0.03 0.22 0.00 0.25 -1.07 0.00 0.00 179.97 179.40 2aaa n THR 8 N -5.06 0.08 -2.90 2.04 -2.24 -1.25 -4.72 114.28 100.23 2aaa n THR 8 Ca 0.29 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.69 2aaa n THR 8 Cb 0.88 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2aaa n THR 8 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2aaa s GLN 9 N -1.92 3.28 -0.03 -0.78 -1.52 -0.72 -5.01 119.66 112.97 2aaa s GLN 9 Ca 0.27 -0.19 0.01 0.00 -1.95 0.00 0.00 55.36 53.51 2aaa s GLN 9 Cb 0.13 -2.49 0.02 0.00 -0.22 0.00 0.00 33.01 30.46 2aaa s GLN 9 CO 0.22 -0.21 -0.02 -1.54 -0.25 0.00 0.00 175.29 173.49 2aaa s SER 10 N -4.15 0.58 0.01 5.90 1.04 -1.26 -4.50 113.70 111.31 2aaa s SER 10 Ca 0.47 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.90 2aaa s SER 10 Cb -0.10 -0.28 -0.03 0.00 0.10 0.00 0.00 66.02 65.72 2aaa s SER 10 CO 0.40 -0.07 -0.19 -0.63 0.98 0.00 0.00 173.24 173.73 2aaa s ILE 11 N 0.85 2.67 -0.27 -1.02 1.01 -0.84 -1.50 121.20 122.10 2aaa s ILE 11 Ca -0.10 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 59.43 2aaa s ILE 11 Cb -0.13 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.28 2aaa s ILE 11 CO -0.01 0.45 0.04 -0.47 0.00 0.00 0.00 174.94 174.95 2aaa s TYR 12 N -0.81 3.09 -0.14 3.97 5.04 -0.29 -1.70 117.35 126.52 2aaa s TYR 12 Ca 0.13 -0.95 -0.18 0.00 -2.44 0.00 0.00 57.07 53.62 2aaa s TYR 12 Cb -0.10 -2.20 -0.04 0.00 0.35 0.00 0.00 41.96 39.97 2aaa s TYR 12 CO 0.03 -0.55 0.49 0.12 -1.34 0.00 0.00 175.55 174.29 2aaa s PHE 13 N 1.49 3.48 0.05 4.97 5.36 0.13 -0.56 117.98 132.90 2aaa s PHE 13 Ca 0.04 0.87 -0.00 0.00 -0.96 0.00 0.00 56.93 56.87 2aaa s PHE 13 Cb -0.16 -2.58 -0.03 0.00 -0.34 0.00 0.00 43.02 39.90 2aaa s PHE 13 CO 0.01 0.10 -0.04 -0.48 -1.46 0.00 0.00 175.22 173.35 2aaa s LEU 14 N 0.87 2.42 -0.30 6.12 0.05 -1.02 -0.42 118.68 126.39 2aaa s LEU 14 Ca 0.26 -0.85 -0.14 0.00 0.05 0.00 0.00 54.13 53.44 2aaa s LEU 14 Cb -0.15 0.10 -0.03 0.00 -2.05 0.00 0.00 46.19 44.06 2aaa s LEU 14 CO 0.10 -0.47 0.34 -0.76 -0.55 0.00 0.00 176.35 175.01 2aaa s LEU 15 N -2.50 4.22 0.28 1.48 1.43 -1.26 -3.69 118.68 118.65 2aaa s LEU 15 Ca 0.01 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2aaa s LEU 15 Cb 0.02 -2.34 0.68 0.00 0.03 0.00 0.00 46.19 44.58 2aaa s LEU 15 CO -0.06 -0.24 1.69 0.74 0.23 0.00 0.00 176.35 178.71 2aaa h THR 16 N 5.46 0.46 0.00 5.49 2.02 -1.92 0.14 112.91 124.55 2aaa h THR 16 Ca -0.31 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 2aaa h THR 16 Cb 1.16 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2aaa h THR 16 CO 0.65 0.06 -0.16 -0.78 0.37 0.00 0.00 175.52 175.67 2aaa h ASP 17 N 0.35 0.00 -0.01 4.18 3.58 -1.78 -3.21 116.42 119.53 2aaa h ASP 17 Ca 0.53 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.98 2aaa h ASP 17 Cb 1.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2aaa h ASP 17 CO -0.54 0.16 -0.45 0.54 -2.88 0.00 0.00 179.24 176.07 2aaa n ARG 18 N -3.45 1.74 -0.07 0.28 5.12 0.38 -1.79 116.66 118.88 2aaa n ARG 18 Ca -0.01 -0.58 -0.09 0.00 -1.93 0.00 0.00 57.85 55.25 2aaa n ARG 18 Cb 0.34 -1.26 -0.04 0.00 -1.16 0.00 0.00 32.46 30.33 2aaa n ARG 18 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2aaa h PHE 19 N 1.29 0.00 -2.99 -1.55 3.57 -1.32 0.19 116.94 116.13 2aaa h PHE 19 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2aaa h PHE 19 Cb 0.50 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 39.06 2aaa h PHE 19 CO 0.00 0.43 -0.16 0.20 -2.23 0.00 0.00 178.31 176.55 2aaa s GLY 20 N -4.26 -0.23 0.10 2.40 0.00 -1.26 -3.61 107.32 100.46 2aaa s GLY 20 Ca -0.16 0.34 0.02 0.00 0.00 0.00 0.00 44.72 44.92 2aaa s GLY 20 CO 0.30 0.10 0.21 0.50 0.00 0.00 0.00 173.10 174.21 2aaa s ARG 21 N -2.00 3.32 0.37 2.90 0.52 -1.26 -1.44 118.95 121.35 2aaa s ARG 21 Ca -0.08 -0.56 0.11 0.00 -0.52 0.00 0.00 55.73 54.68 2aaa s ARG 21 Cb -0.02 -2.94 0.70 0.00 0.52 0.00 0.00 34.95 33.21 2aaa s ARG 21 CO 0.01 0.56 1.83 1.15 0.02 0.00 0.00 175.30 178.87 2aaa h THR 22 N 2.00 1.26 -0.14 0.02 2.02 -1.89 -1.01 112.91 115.16 2aaa h THR 22 Ca -0.47 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.50 2aaa h THR 22 Cb 1.18 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 2aaa h THR 22 CO 0.71 0.35 0.00 -0.90 0.37 0.00 0.00 175.52 176.05 2aaa n ASP 23 N -4.12 0.88 -0.81 4.18 5.68 -1.26 -4.89 116.55 116.21 2aaa n ASP 23 Ca -0.02 -1.84 -0.07 0.00 -0.50 0.00 0.00 54.79 52.37 2aaa n ASP 23 Cb 0.39 -0.09 -0.03 0.00 -1.14 0.00 0.00 41.12 40.25 2aaa n ASP 23 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2aaa n ASN 24 N -0.09 -2.93 -4.75 -1.12 5.03 -0.38 -4.95 115.26 106.07 2aaa n ASN 24 Ca 0.09 0.17 -0.36 0.00 0.87 0.00 0.00 54.58 55.34 2aaa n ASN 24 Cb 0.16 -2.48 0.04 0.00 -1.02 0.00 0.00 39.78 36.48 2aaa n ASN 24 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2aaa s SER 25 N -1.58 5.11 0.00 6.41 0.15 -1.26 -4.91 113.70 117.62 2aaa s SER 25 Ca 0.00 2.43 0.03 0.00 0.70 0.00 0.00 55.95 59.11 2aaa s SER 25 Cb 0.00 -2.60 -0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2aaa s SER 25 CO 0.00 -1.65 0.36 0.41 1.20 0.00 0.00 173.24 173.56 2aaa n THR 26 N -1.62 0.00 0.00 6.45 -1.04 -1.26 -4.68 114.28 112.12 2aaa n THR 26 Ca 0.14 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 2aaa n THR 26 Cb 0.49 1.04 0.00 0.00 -1.82 0.00 0.00 70.33 70.04 2aaa n THR 26 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2aaa n THR 27 N -0.45 0.00 -1.66 12.58 -2.24 -1.26 -4.19 114.28 117.06 2aaa n THR 27 Ca 0.01 -0.30 -0.55 0.00 -2.27 0.00 0.00 64.05 60.94 2aaa n THR 27 Cb 0.07 0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 2aaa n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2aaa n ALA 28 N -1.15 -0.47 -1.77 6.98 0.00 -1.26 -4.90 120.51 117.95 2aaa n ALA 28 Ca 0.00 0.44 -0.40 0.00 0.00 0.00 0.00 53.44 53.48 2aaa n ALA 28 Cb 0.00 -2.17 0.01 0.00 0.00 0.00 0.00 19.45 17.29 2aaa n ALA 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2aaa s THR 29 N 2.28 2.24 -0.38 0.00 2.01 -1.26 -4.93 115.64 115.60 2aaa s THR 29 Ca 0.92 0.21 0.04 0.00 0.31 0.00 0.00 61.69 63.18 2aaa s THR 29 Cb -1.01 -3.12 0.16 0.00 0.01 0.00 0.00 72.50 68.54 2aaa s THR 29 CO 0.57 0.03 0.43 0.00 -0.69 0.00 0.00 174.62 174.96 2aaa s ASN 31 N 1.51 6.35 0.24 0.00 3.04 -1.26 -4.84 114.94 119.99 2aaa s ASN 31 Ca 0.17 -0.23 -0.05 0.00 0.04 0.00 0.00 52.86 52.79 2aaa s ASN 31 Cb -0.13 -2.49 0.38 0.00 -1.54 0.00 0.00 41.25 37.47 2aaa s ASN 31 CO -0.04 -1.38 1.81 0.71 -3.04 0.00 0.00 177.10 175.16 2aaa h THR 32 N 6.07 0.93 -0.01 -5.21 1.35 -1.91 -2.30 112.91 111.82 2aaa h THR 32 Ca -0.26 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2aaa h THR 32 Cb 1.07 0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 2aaa h THR 32 CO 1.15 0.15 0.03 1.23 -0.25 0.00 0.00 175.52 177.82 2aaa h GLY 33 N 0.80 0.00 2.00 5.82 0.00 -1.93 -1.85 103.07 107.92 2aaa h GLY 33 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2aaa h GLY 33 CO -0.23 0.00 0.00 3.43 0.00 0.00 0.00 176.54 179.74 2aaa h ASN 34 N 0.00 0.00 -7.06 0.19 -0.26 -1.84 -3.48 115.58 103.13 2aaa h ASN 34 Ca 0.01 0.00 -0.62 0.00 -0.56 0.00 0.00 56.30 55.13 2aaa h ASN 34 Cb 0.07 0.00 -0.17 0.00 -1.06 0.00 0.00 38.32 37.16 2aaa h ASN 34 CO -0.00 0.00 -0.98 -0.62 -1.06 0.00 0.00 177.43 174.77 2aaa n GLU 35 N -2.77 -0.78 -4.49 0.81 1.02 -0.70 -4.81 120.64 108.92 2aaa n GLU 35 Ca 0.02 0.08 -0.24 0.00 -0.02 0.00 0.00 57.16 57.00 2aaa n GLU 35 Cb 0.33 -3.34 -0.10 0.00 -0.02 0.00 0.00 31.44 28.31 2aaa n GLU 35 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2aaa s ILE 36 N -4.21 2.18 0.15 -3.67 -4.36 -1.26 0.21 121.20 110.23 2aaa s ILE 36 Ca 0.10 -2.26 -0.31 0.00 -0.26 0.00 0.00 60.65 57.92 2aaa s ILE 36 Cb -0.06 -2.46 -0.09 0.00 1.25 0.00 0.00 42.46 41.10 2aaa s ILE 36 CO 0.99 -0.31 1.50 -0.31 0.24 0.00 0.00 174.94 177.06 2aaa s TYR 37 N -2.67 3.13 -1.03 1.37 2.02 -1.26 -4.90 117.35 114.00 2aaa s TYR 37 Ca 0.30 0.75 0.20 0.00 -0.37 0.00 0.00 57.07 57.95 2aaa s TYR 37 Cb 0.00 -3.84 -0.19 0.00 -0.40 0.00 0.00 41.96 37.53 2aaa s TYR 37 CO 0.15 -3.04 0.86 0.00 -1.57 0.00 0.00 175.55 171.94 2aaa n GLY 39 N 1.45 1.04 3.74 0.00 0.00 -1.25 -4.93 105.19 105.25 2aaa n GLY 39 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2aaa n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aaa s GLY 40 N -1.72 2.86 0.26 -0.02 0.00 -0.74 -4.68 107.32 103.28 2aaa s GLY 40 Ca 0.00 1.24 -0.03 0.00 0.00 0.00 0.00 44.72 45.93 2aaa s GLY 40 CO 0.00 1.70 0.31 -1.35 0.00 0.00 0.00 173.10 173.76 2aaa s SER 41 N -1.22 0.43 0.34 1.64 1.04 -0.52 -4.45 113.70 110.95 2aaa s SER 41 Ca 0.77 -1.33 0.11 0.00 0.48 0.00 0.00 55.95 55.98 2aaa s SER 41 Cb -0.38 0.51 0.60 0.00 0.10 0.00 0.00 66.02 66.86 2aaa s SER 41 CO 0.42 -1.03 1.76 -0.50 0.98 0.00 0.00 173.24 174.87 2aaa h TRP 42 N 2.36 0.04 -0.31 5.02 6.55 -0.88 -2.77 115.95 125.96 2aaa h TRP 42 Ca -0.30 -0.01 -0.16 0.00 0.95 0.00 0.00 58.89 59.36 2aaa h TRP 42 Cb 1.25 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 29.53 2aaa h TRP 42 CO 0.75 0.46 -0.44 0.37 -1.05 0.00 0.00 178.44 178.53 2aaa h GLN 43 N 0.03 0.81 0.00 0.49 5.75 -1.89 -2.76 115.11 117.54 2aaa h GLN 43 Ca -0.00 -0.45 -0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2aaa h GLN 43 Cb 0.77 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.35 2aaa h GLN 43 CO 0.06 1.08 -0.02 0.78 -2.65 0.00 0.00 178.83 178.08 2aaa h GLY 44 N 0.85 0.00 0.34 2.39 0.00 -1.64 -0.61 103.07 104.40 2aaa h GLY 44 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 2aaa h GLY 44 CO 0.10 0.00 -0.05 -2.22 0.00 0.00 0.00 176.54 174.37 2aaa h ILE 45 N 0.00 1.08 -0.59 2.60 2.04 -1.35 -3.09 117.51 118.20 2aaa h ILE 45 Ca -0.00 -1.30 0.12 0.00 1.00 0.00 0.00 64.86 64.68 2aaa h ILE 45 Cb 0.03 1.84 -0.11 0.00 -0.74 0.00 0.00 36.82 37.84 2aaa h ILE 45 CO 0.00 0.29 -0.08 0.40 0.00 0.00 0.00 178.15 178.75 2aaa h ILE 46 N -0.80 0.45 -0.10 -0.67 2.04 -1.10 -1.19 117.51 116.14 2aaa h ILE 46 Ca -0.01 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2aaa h ILE 46 Cb 0.57 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2aaa h ILE 46 CO 0.02 0.01 0.07 0.44 0.00 0.00 0.00 178.15 178.69 2aaa h ASP 47 N 0.05 0.03 -0.27 1.72 3.32 -1.20 -3.03 116.42 117.04 2aaa h ASP 47 Ca 0.30 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 2aaa h ASP 47 Cb 0.47 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.95 2aaa h ASP 47 CO -0.57 0.02 -0.06 1.41 -1.72 0.00 0.00 179.24 178.32 2aaa n HIS 48 N -4.51 0.88 0.21 4.55 8.25 -0.48 -4.80 115.22 119.32 2aaa n HIS 48 Ca -0.01 -1.30 0.04 0.00 -0.26 0.00 0.00 57.72 56.19 2aaa n HIS 48 Cb 0.16 -0.39 0.44 0.00 1.12 0.00 0.00 29.99 31.32 2aaa n HIS 48 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2aaa h LEU 49 N 1.15 0.00 -0.93 2.41 3.38 -1.34 -2.54 115.31 117.45 2aaa h LEU 49 Ca 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2aaa h LEU 49 Cb 1.49 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.20 2aaa h LEU 49 CO 0.28 0.26 0.56 0.44 0.09 0.00 0.00 178.44 180.07 2aaa h ASP 50 N 0.00 1.12 -0.29 -0.43 5.19 -1.87 0.19 116.42 120.34 2aaa h ASP 50 Ca -0.00 -0.07 0.04 0.00 -0.62 0.00 0.00 57.03 56.38 2aaa h ASP 50 Cb 0.45 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.64 2aaa h ASP 50 CO 0.03 0.86 0.06 0.22 -3.12 0.00 0.00 179.24 177.29 2aaa h TYR 51 N 1.28 0.10 0.03 4.55 3.20 -1.85 0.10 116.97 124.39 2aaa h TYR 51 Ca 0.33 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.22 2aaa h TYR 51 Cb -0.05 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2aaa h TYR 51 CO 0.00 0.02 -0.02 0.82 -1.64 0.00 0.00 178.16 177.35 2aaa h ILE 52 N 0.16 1.35 0.00 1.81 2.04 -1.25 -3.20 117.51 118.43 2aaa h ILE 52 Ca 0.13 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 2aaa h ILE 52 Cb 0.14 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2aaa h ILE 52 CO -0.17 0.33 -0.02 -0.08 0.00 0.00 0.00 178.15 178.20 2aaa h GLU 53 N -0.63 0.00 0.00 2.37 4.81 -0.56 -2.28 114.58 118.29 2aaa h GLU 53 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2aaa h GLU 53 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2aaa h GLU 53 CO 0.01 0.02 0.00 0.78 -0.73 0.00 0.00 179.01 179.09 2aaa h GLY 54 N 0.08 0.00 -0.54 1.92 0.00 -0.78 -0.41 103.07 103.34 2aaa h GLY 54 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aaa h GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.57 2aaa n MET 55 N -2.60 1.62 -1.01 4.80 2.81 -0.86 -4.75 117.12 117.14 2aaa n MET 55 Ca 0.00 -0.93 -0.00 0.00 -1.81 0.00 0.00 57.70 54.96 2aaa n MET 55 Cb 0.18 -1.41 -0.00 0.00 -0.71 0.00 0.00 33.22 31.28 2aaa n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2aaa n GLY 56 N 1.11 0.46 3.76 3.03 0.00 -0.16 -3.73 105.19 109.66 2aaa n GLY 56 Ca 0.17 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2aaa n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aaa s PHE 57 N -1.99 2.49 -0.61 1.61 0.08 -1.26 -4.90 117.98 113.40 2aaa s PHE 57 Ca 0.00 1.51 0.10 0.00 0.12 0.00 0.00 56.93 58.66 2aaa s PHE 57 Cb 0.00 -3.46 -0.07 0.00 -0.57 0.00 0.00 43.02 38.92 2aaa s PHE 57 CO 0.00 -2.06 0.49 0.25 -0.10 0.00 0.00 175.22 173.79 2aaa n THR 58 N -1.35 0.00 -3.65 0.64 -2.24 -0.56 -4.74 114.28 102.38 2aaa n THR 58 Ca 0.12 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 2aaa n THR 58 Cb 0.49 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.69 2aaa n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2aaa s ALA 59 N -1.76 -1.13 0.16 6.98 0.00 -0.73 -0.77 121.76 124.51 2aaa s ALA 59 Ca 0.05 0.50 0.09 0.00 0.00 0.00 0.00 51.96 52.60 2aaa s ALA 59 Cb 0.08 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2aaa s ALA 59 CO 0.36 -0.42 -0.20 0.96 0.00 0.00 0.00 175.76 176.46 2aaa s ILE 60 N -2.08 1.92 -0.18 0.00 -4.36 -0.85 -1.14 121.20 114.52 2aaa s ILE 60 Ca -0.08 -1.85 -0.01 0.00 -0.26 0.00 0.00 60.65 58.45 2aaa s ILE 60 Cb -0.02 -1.84 -0.00 0.00 1.25 0.00 0.00 42.46 41.85 2aaa s ILE 60 CO 0.01 -0.20 -0.11 0.86 0.24 0.00 0.00 174.94 175.74 2aaa s TRP 61 N -1.73 2.86 0.28 1.37 -0.00 0.28 -0.37 118.94 121.62 2aaa s TRP 61 Ca 0.15 -1.01 0.09 0.00 -0.00 0.00 0.00 56.10 55.32 2aaa s TRP 61 Cb -0.07 -1.97 -0.04 0.00 -0.00 0.00 0.00 33.47 31.38 2aaa s TRP 61 CO 0.07 -0.50 0.09 0.96 -0.00 0.00 0.00 176.95 177.57 2aaa s ILE 62 N 1.06 3.64 1.07 5.86 -4.36 -0.56 -2.43 121.20 125.49 2aaa s ILE 62 Ca -0.00 -1.71 -0.14 0.00 -0.26 0.00 0.00 60.65 58.54 2aaa s ILE 62 Cb -0.15 -3.04 0.16 0.00 1.25 0.00 0.00 42.46 40.69 2aaa s ILE 62 CO -0.02 -0.32 0.66 -1.20 0.24 0.00 0.00 174.94 174.29 2aaa n SER 63 N -1.04 -1.56 -4.52 4.36 7.64 -1.24 -2.68 113.62 114.58 2aaa n SER 63 Ca -0.06 0.06 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 2aaa n SER 63 Cb 0.59 -1.21 0.07 0.00 -1.01 0.00 0.00 64.21 62.65 2aaa n SER 63 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2aaa n PRO 64 N -3.43 0.43 0.00 1.43 -0.02 -1.25 -4.48 135.00 127.67 2aaa n PRO 64 Ca 0.05 0.19 0.05 0.00 -2.02 0.00 0.00 63.50 61.77 2aaa n PRO 64 Cb 0.56 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 2aaa n PRO 64 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2aaa n ILE 65 N -2.31 0.00 -2.65 4.25 -6.64 -1.26 -4.79 119.36 105.96 2aaa n ILE 65 Ca 0.11 -0.32 -0.34 0.00 -1.77 0.00 0.00 62.75 60.43 2aaa n ILE 65 Cb 0.49 1.06 -0.05 0.00 -1.44 0.00 0.00 39.64 39.70 2aaa n ILE 65 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 2aaa s THR 66 N -1.69 4.01 0.17 7.28 -4.23 -1.26 -1.17 115.64 118.74 2aaa s THR 66 Ca 0.06 1.29 -0.34 0.00 -1.18 0.00 0.00 61.69 61.53 2aaa s THR 66 Cb 0.08 -3.54 -0.15 0.00 1.34 0.00 0.00 72.50 70.22 2aaa s THR 66 CO 0.34 -0.23 1.34 1.21 -0.54 0.00 0.00 174.62 176.74 2aaa n GLU 67 N -0.71 1.56 -3.51 3.99 0.00 -1.03 -4.00 120.64 116.93 2aaa n GLU 67 Ca 0.08 0.56 -0.24 0.00 0.00 0.00 0.00 57.16 57.56 2aaa n GLU 67 Cb 0.53 -2.18 0.02 0.00 0.00 0.00 0.00 31.44 29.81 2aaa n GLU 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2aaa n GLN 68 N 2.31 0.66 -2.15 5.31 1.13 -1.26 -2.11 117.38 121.26 2aaa n GLN 68 Ca 0.15 -3.30 -0.41 0.00 -1.94 0.00 0.00 57.00 51.50 2aaa n GLN 68 Cb 0.26 0.15 -0.02 0.00 0.11 0.00 0.00 30.24 30.73 2aaa n GLN 68 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 2aaa s LEU 69 N 0.00 4.43 0.00 1.08 0.05 -0.95 -4.72 118.68 118.57 2aaa s LEU 69 Ca 0.41 2.60 0.27 0.00 0.05 0.00 0.00 54.13 57.46 2aaa s LEU 69 Cb -0.03 -3.64 0.90 0.00 -2.05 0.00 0.00 46.19 41.37 2aaa s LEU 69 CO 0.26 -0.52 1.66 -0.81 -0.55 0.00 0.00 176.35 176.40 2aaa n PRO 70 N 1.36 0.49 -2.08 1.48 -0.04 -1.26 -4.55 135.00 130.39 2aaa n PRO 70 Ca 0.02 -0.23 -0.30 0.00 -0.04 0.00 0.00 63.50 62.95 2aaa n PRO 70 Cb 0.42 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2aaa n PRO 70 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2aaa s GLN 71 N -2.67 3.36 -0.13 0.54 1.11 -1.26 -5.04 119.66 115.57 2aaa s GLN 71 Ca 0.21 0.50 -0.04 0.00 0.01 0.00 0.00 55.36 56.04 2aaa s GLN 71 Cb 0.19 -2.15 -0.03 0.00 -1.01 0.00 0.00 33.01 30.01 2aaa s GLN 71 CO 0.55 -0.61 0.02 0.34 0.01 0.00 0.00 175.29 175.60 2aaa s ASP 72 N -4.22 5.38 0.29 5.90 2.15 -1.26 -4.59 116.67 120.32 2aaa s ASP 72 Ca 0.54 0.11 0.04 0.00 0.43 0.00 0.00 52.55 53.67 2aaa s ASP 72 Cb -0.11 -1.72 -0.03 0.00 -0.30 0.00 0.00 42.92 40.76 2aaa s ASP 72 CO 0.51 0.29 0.21 0.42 -0.17 0.00 0.00 175.17 176.43 2aaa s THR 73 N -0.35 0.06 -1.30 1.71 -4.23 -1.19 -5.01 115.64 105.34 2aaa s THR 73 Ca 0.08 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.77 2aaa s THR 73 Cb -0.12 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.49 2aaa s THR 73 CO 0.02 0.00 1.56 0.00 -0.54 0.00 0.00 174.62 175.66 2aaa n ALA 74 N -0.52 1.93 1.11 3.99 0.00 -1.26 -0.86 120.51 124.91 2aaa n ALA 74 Ca 0.05 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2aaa n ALA 74 Cb 0.64 -1.29 0.36 0.00 0.00 0.00 0.00 19.45 19.15 2aaa n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2aaa n ASP 75 N -1.35 2.00 0.00 0.00 8.00 -1.26 -5.08 116.55 118.85 2aaa n ASP 75 Ca 0.07 -1.74 0.00 0.00 0.71 0.00 0.00 54.79 53.83 2aaa n ASP 75 Cb 0.16 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2aaa n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aaa n GLY 76 N 1.21 -1.80 3.79 0.44 0.00 -0.04 -4.99 105.19 103.79 2aaa n GLY 76 Ca 0.17 -1.57 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 2aaa n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aaa s GLU 77 N 0.00 2.45 0.00 1.61 2.02 0.56 -3.16 118.70 122.18 2aaa s GLU 77 Ca 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 54.97 53.44 2aaa s GLU 77 Cb 0.00 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.98 2aaa s GLU 77 CO 0.00 -0.00 1.29 0.00 0.02 0.00 0.00 175.26 176.57 2aaa n ALA 78 N -1.30 3.03 0.28 5.21 0.00 -1.26 -4.50 120.51 121.97 2aaa n ALA 78 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.57 2aaa n ALA 78 Cb 0.62 -1.12 0.83 0.00 0.00 0.00 0.00 19.45 19.77 2aaa n ALA 78 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 2aaa h TYR 79 N 1.12 0.00 0.00 0.00 -0.00 -1.91 -2.51 116.97 113.67 2aaa h TYR 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2aaa h TYR 79 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.53 2aaa h TYR 79 CO 0.17 0.06 -0.01 1.12 -0.00 0.00 0.00 178.16 179.49 2aaa h HIS 80 N 0.00 0.00 0.00 0.10 2.07 -1.98 -3.40 115.15 111.93 2aaa h HIS 80 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2aaa h HIS 80 Cb 0.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.13 2aaa h HIS 80 CO 0.00 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.27 2aaa n GLY 81 N 1.13 0.71 0.91 6.13 0.00 -0.95 -4.45 105.19 108.68 2aaa n GLY 81 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 2aaa n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2aaa n TYR 82 N -2.48 0.44 -2.58 1.61 4.01 -1.26 -4.43 117.16 112.47 2aaa n TYR 82 Ca 0.00 -0.22 -0.29 0.00 -0.16 0.00 0.00 57.90 57.23 2aaa n TYR 82 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 2aaa n TYR 82 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2aaa n TRP 83 N 0.99 3.55 -1.45 -0.72 8.01 -1.26 -4.76 117.44 121.80 2aaa n TRP 83 Ca 0.18 -3.29 -0.31 0.00 -1.31 0.00 0.00 57.50 52.76 2aaa n TRP 83 Cb 0.48 -0.35 0.07 0.00 -2.01 0.00 0.00 31.31 29.49 2aaa n TRP 83 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.69 177.82 2aaa s GLN 84 N -3.60 2.61 0.00 -0.99 -2.07 -1.26 -2.24 119.66 112.11 2aaa s GLN 84 Ca 0.48 1.09 0.00 0.00 -1.82 0.00 0.00 55.36 55.11 2aaa s GLN 84 Cb 0.36 -1.94 0.00 0.00 -1.09 0.00 0.00 33.01 30.33 2aaa s GLN 84 CO -0.19 -1.36 0.00 1.04 -1.32 0.00 0.00 175.29 173.46 2aaa n GLN 85 N -3.24 0.00 -4.07 9.60 6.02 -0.90 -0.72 117.38 124.08 2aaa n GLN 85 Ca 0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.75 2aaa n GLN 85 Cb 0.53 -0.13 -0.15 0.00 1.02 0.00 0.00 30.24 31.52 2aaa n GLN 85 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2aaa s LYS 86 N -1.96 2.23 0.16 -1.09 1.02 -1.23 -1.61 119.74 117.26 2aaa s LYS 86 Ca 0.00 -1.35 0.26 0.00 0.02 0.00 0.00 55.97 54.90 2aaa s LYS 86 Cb 0.00 -2.89 0.92 0.00 -0.52 0.00 0.00 37.83 35.35 2aaa s LYS 86 CO 0.00 -0.57 1.79 0.44 -0.92 0.00 0.00 175.35 176.09 2aaa n ILE 87 N 4.43 0.50 0.59 2.17 -5.35 -0.65 -2.94 119.36 118.12 2aaa n ILE 87 Ca -0.14 -0.13 0.10 0.00 -0.27 0.00 0.00 62.75 62.31 2aaa n ILE 87 Cb 0.42 -0.65 0.27 0.00 -1.74 0.00 0.00 39.64 37.94 2aaa n ILE 87 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2aaa n TYR 88 N -2.05 0.49 -4.17 4.28 4.01 -1.26 -4.90 117.16 113.55 2aaa n TYR 88 Ca 0.05 -0.24 -0.23 0.00 -0.16 0.00 0.00 57.90 57.32 2aaa n TYR 88 Cb 0.37 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.33 2aaa n TYR 88 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2aaa s ASP 89 N -1.34 4.56 0.34 7.72 1.01 -1.15 -5.08 116.67 122.73 2aaa s ASP 89 Ca 0.36 -0.81 0.02 0.00 0.71 0.00 0.00 52.55 52.83 2aaa s ASP 89 Cb 0.20 -0.70 -0.02 0.00 1.01 0.00 0.00 42.92 43.40 2aaa s ASP 89 CO 0.27 -0.25 0.52 0.68 0.21 0.00 0.00 175.17 176.60 2aaa s VAL 90 N -2.43 4.85 -0.82 -1.27 -7.23 -1.26 -2.47 120.40 109.76 2aaa s VAL 90 Ca 0.36 -0.63 -0.25 0.00 -1.81 0.00 0.00 61.98 59.65 2aaa s VAL 90 Cb -0.02 -3.75 0.01 0.00 0.56 0.00 0.00 36.38 33.18 2aaa s VAL 90 CO 0.22 -0.43 1.55 0.21 -0.31 0.00 0.00 175.10 176.33 2aaa s ASN 91 N -4.07 5.92 0.17 4.85 3.84 -0.32 -3.84 114.94 121.49 2aaa s ASN 91 Ca 0.41 -0.61 0.14 0.00 0.21 0.00 0.00 52.86 53.01 2aaa s ASN 91 Cb -0.10 -2.56 0.70 0.00 -0.55 0.00 0.00 41.25 38.75 2aaa s ASN 91 CO 0.34 -2.00 1.43 -1.54 -2.79 0.00 0.00 177.10 172.55 2aaa n SER 92 N 10.64 0.33 0.15 -4.21 3.41 -1.26 -0.71 113.62 121.98 2aaa n SER 92 Ca 0.21 0.63 0.01 0.00 -0.26 0.00 0.00 58.87 59.46 2aaa n SER 92 Cb 0.50 -0.68 0.21 0.00 -0.26 0.00 0.00 64.21 63.98 2aaa n SER 92 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2aaa h ASN 93 N 0.00 0.00 1.01 4.04 4.21 -1.96 -3.12 115.58 119.75 2aaa h ASN 93 Ca 0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 2aaa h ASN 93 Cb 0.09 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.27 2aaa h ASN 93 CO 0.00 0.53 -1.04 -0.26 -1.29 0.00 0.00 177.43 175.37 2aaa h PHE 94 N 0.00 0.00 0.00 1.19 0.04 -1.16 -3.45 116.94 113.57 2aaa h PHE 94 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2aaa h PHE 94 Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 2aaa h PHE 94 CO 0.00 0.30 0.00 0.41 -0.60 0.00 0.00 178.31 178.42 2aaa n GLY 95 N 1.27 0.56 3.83 -1.45 0.00 -1.08 -0.17 105.19 108.15 2aaa n GLY 95 Ca -0.04 -1.54 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 2aaa n GLY 95 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2aaa s THR 96 N -3.62 2.59 0.29 2.61 -1.32 -1.26 -4.21 115.64 110.72 2aaa s THR 96 Ca 0.00 -1.45 -0.01 0.00 -1.21 0.00 0.00 61.69 59.02 2aaa s THR 96 Cb 0.00 -3.00 0.21 0.00 -1.51 0.00 0.00 72.50 68.19 2aaa s THR 96 CO 0.00 -0.01 1.90 0.00 -2.21 0.00 0.00 174.62 174.30 2aaa h ALA 97 N 1.16 1.32 -0.31 11.08 0.00 -1.98 -2.29 119.26 128.24 2aaa h ALA 97 Ca -0.42 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2aaa h ALA 97 Cb 1.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2aaa h ALA 97 CO 0.61 0.53 0.17 -0.44 0.00 0.00 0.00 179.25 180.12 2aaa h ASP 98 N 0.93 0.36 -0.35 0.00 3.32 -1.99 -0.43 116.42 118.26 2aaa h ASP 98 Ca 0.23 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 2aaa h ASP 98 Cb 0.09 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2aaa h ASP 98 CO -0.03 0.29 -0.36 0.78 -1.72 0.00 0.00 179.24 178.20 2aaa h ASN 99 N 0.42 0.93 -0.12 6.45 -0.26 -1.81 -0.84 115.58 120.36 2aaa h ASN 99 Ca 0.11 -0.47 -0.01 0.00 -0.56 0.00 0.00 56.30 55.37 2aaa h ASN 99 Cb 0.01 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.00 2aaa h ASN 99 CO -0.02 1.21 0.03 0.25 -1.06 0.00 0.00 177.43 177.84 2aaa h LEU 100 N 0.67 0.18 -1.24 1.61 5.85 -1.23 -1.06 115.31 120.09 2aaa h LEU 100 Ca 0.05 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2aaa h LEU 100 Cb 0.95 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 2aaa h LEU 100 CO 0.09 0.35 -0.15 0.11 -0.34 0.00 0.00 178.44 178.51 2aaa h LYS 101 N -0.01 0.34 -0.37 1.25 1.57 -1.01 -2.41 116.57 115.93 2aaa h LYS 101 Ca 0.04 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 2aaa h LYS 101 Cb 0.25 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2aaa h LYS 101 CO 0.00 0.49 -0.20 0.77 -0.57 0.00 0.00 179.45 179.94 2aaa h SER 102 N 0.32 0.70 0.36 0.86 0.02 -0.70 -1.96 113.55 113.14 2aaa h SER 102 Ca 0.06 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 2aaa h SER 102 Cb 0.45 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 2aaa h SER 102 CO 0.03 0.90 -0.20 0.25 -1.14 0.00 0.00 176.83 176.67 2aaa h LEU 103 N 0.62 -0.48 -0.31 5.07 6.46 -0.86 -1.27 115.31 124.54 2aaa h LEU 103 Ca 0.09 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.95 2aaa h LEU 103 Cb 0.68 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.67 2aaa h LEU 103 CO 0.05 -0.32 -0.22 -1.28 -0.62 0.00 0.00 178.44 176.05 2aaa h SER 104 N -0.52 -0.73 -0.60 1.25 0.87 -1.30 -2.33 113.55 110.20 2aaa h SER 104 Ca -0.04 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2aaa h SER 104 Cb 0.42 0.36 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 2aaa h SER 104 CO 0.06 -0.25 0.38 0.44 -0.53 0.00 0.00 176.83 176.93 2aaa h ASP 105 N -0.19 0.69 -0.57 6.23 3.32 -1.24 -0.92 116.42 123.73 2aaa h ASP 105 Ca 0.16 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.20 2aaa h ASP 105 Cb 0.44 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 2aaa h ASP 105 CO -0.42 0.52 0.38 0.00 -1.72 0.00 0.00 179.24 177.99 2aaa h ALA 106 N 1.21 1.64 0.08 3.45 0.00 -0.95 -1.13 119.26 123.55 2aaa h ALA 106 Ca 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2aaa h ALA 106 Cb -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2aaa h ALA 106 CO -0.05 0.32 -0.04 -0.07 0.00 0.00 0.00 179.25 179.42 2aaa h LEU 107 N 0.73 -0.09 -1.61 0.00 3.38 -1.20 -3.09 115.31 113.44 2aaa h LEU 107 Ca 0.22 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2aaa h LEU 107 Cb -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2aaa h LEU 107 CO -0.05 0.55 0.18 0.45 0.09 0.00 0.00 178.44 179.66 2aaa h HIS 108 N -0.80 0.43 0.00 1.13 3.86 -0.95 0.50 115.15 119.32 2aaa h HIS 108 Ca -0.01 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 2aaa h HIS 108 Cb 0.61 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 2aaa h HIS 108 CO 0.13 0.30 -0.14 0.00 0.86 0.00 0.00 177.93 179.08 2aaa h ALA 109 N 1.75 1.21 -0.47 2.45 0.00 -1.29 -1.95 119.26 120.97 2aaa h ALA 109 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2aaa h ALA 109 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2aaa h ALA 109 CO -0.02 0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.95 2aaa n ARG 110 N -3.57 2.42 -1.39 0.00 1.74 0.16 -4.94 116.66 111.08 2aaa n ARG 110 Ca -0.01 -2.17 -0.01 0.00 -0.77 0.00 0.00 57.85 54.89 2aaa n ARG 110 Cb 0.28 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2aaa n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aaa n GLY 111 N 1.48 0.40 3.57 -0.13 0.00 -0.73 -5.05 105.19 104.73 2aaa n GLY 111 Ca 0.20 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 2aaa n GLY 111 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2aaa s MET 112 N -2.79 2.05 0.12 1.61 1.00 -0.05 -4.92 119.30 116.32 2aaa s MET 112 Ca 0.00 -1.53 0.07 0.00 0.00 0.00 0.00 55.69 54.23 2aaa s MET 112 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 34.83 32.77 2aaa s MET 112 CO 0.00 0.36 -0.06 0.71 0.00 0.00 0.00 175.02 176.03 2aaa s TYR 113 N -2.33 2.81 -0.19 -0.03 2.02 0.05 -3.46 117.35 116.22 2aaa s TYR 113 Ca 0.30 -0.13 -0.03 0.00 -0.37 0.00 0.00 57.07 56.85 2aaa s TYR 113 Cb -0.06 -1.44 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 2aaa s TYR 113 CO 0.18 0.46 -0.06 -1.17 -1.57 0.00 0.00 175.55 173.38 2aaa s LEU 114 N -2.38 2.91 -0.14 -1.29 2.96 -1.26 -2.00 118.68 117.48 2aaa s LEU 114 Ca 0.23 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.79 2aaa s LEU 114 Cb -0.11 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 2aaa s LEU 114 CO 0.16 0.05 -0.06 -0.32 -1.32 0.00 0.00 176.35 174.85 2aaa s MET 115 N 1.04 3.53 -0.11 1.98 -2.45 0.50 -0.96 119.30 122.83 2aaa s MET 115 Ca 0.00 -0.57 0.00 0.00 -1.25 0.00 0.00 55.69 53.88 2aaa s MET 115 Cb -0.15 -2.81 -0.02 0.00 1.25 0.00 0.00 34.83 33.10 2aaa s MET 115 CO -0.00 0.27 -0.12 0.08 1.05 0.00 0.00 175.02 176.30 2aaa s VAL 116 N 0.27 3.22 -0.01 10.11 1.01 -1.05 -1.49 120.40 132.46 2aaa s VAL 116 Ca -0.05 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 2aaa s VAL 116 Cb -0.14 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2aaa s VAL 116 CO 0.04 0.54 1.12 -0.62 0.00 0.00 0.00 175.10 176.18 2aaa s ASP 117 N -0.03 7.16 0.04 3.32 -1.08 -1.09 -2.07 116.67 122.92 2aaa s ASP 117 Ca -0.02 1.81 0.05 0.00 -0.52 0.00 0.00 52.55 53.87 2aaa s ASP 117 Cb -0.14 -2.57 -0.02 0.00 -1.46 0.00 0.00 42.92 38.73 2aaa s ASP 117 CO 0.04 -0.45 -0.15 0.68 0.52 0.00 0.00 175.17 175.81 2aaa s VAL 118 N 1.51 1.15 -0.51 1.11 -7.23 -0.07 -3.84 120.40 112.52 2aaa s VAL 118 Ca 0.55 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.69 2aaa s VAL 118 Cb -0.25 -1.05 0.14 0.00 0.56 0.00 0.00 36.38 35.78 2aaa s VAL 118 CO 0.25 -0.02 0.29 -0.69 -0.31 0.00 0.00 175.10 174.63 2aaa s VAL 119 N -0.91 2.12 0.29 1.32 1.01 -1.26 -1.36 120.40 121.62 2aaa s VAL 119 Ca 0.01 -3.16 0.06 0.00 0.00 0.00 0.00 61.98 58.89 2aaa s VAL 119 Cb -0.08 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.87 2aaa s VAL 119 CO 0.01 -0.88 1.70 -0.65 0.00 0.00 0.00 175.10 175.28 2aaa h PRO 120 N 6.39 0.26 0.05 2.72 0.11 -1.96 -3.39 132.00 136.18 2aaa h PRO 120 Ca -0.01 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 2aaa h PRO 120 Cb 0.88 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2aaa h PRO 120 CO 0.61 0.63 -0.02 0.22 -0.21 0.00 0.00 178.00 179.22 2aaa h ASP 121 N 0.22 -0.06 -5.50 -2.05 3.58 -1.87 -3.45 116.42 107.29 2aaa h ASP 121 Ca 0.02 -0.09 -0.21 0.00 0.42 0.00 0.00 57.03 57.16 2aaa h ASP 121 Cb 0.82 0.02 -0.12 0.00 1.72 0.00 0.00 39.33 41.77 2aaa h ASP 121 CO 0.06 0.06 -0.36 -1.38 -2.88 0.00 0.00 179.24 174.74 2aaa s HIS 122 N -5.77 0.96 0.38 0.28 -3.43 -1.26 -1.39 115.29 105.05 2aaa s HIS 122 Ca -0.14 -1.19 0.08 0.00 -0.80 0.00 0.00 55.06 53.01 2aaa s HIS 122 Cb 0.05 -0.25 -0.02 0.00 -1.43 0.00 0.00 32.58 30.93 2aaa s HIS 122 CO 0.66 -0.87 0.36 -1.64 -2.00 0.00 0.00 174.74 171.24 2aaa s MET 123 N -3.82 2.66 0.07 -0.38 -1.94 -1.01 -4.73 119.30 110.16 2aaa s MET 123 Ca 0.32 -1.39 0.09 0.00 -1.71 0.00 0.00 55.69 53.00 2aaa s MET 123 Cb 0.03 -2.47 -0.03 0.00 2.01 0.00 0.00 34.83 34.36 2aaa s MET 123 CO 0.14 -0.07 -0.23 0.20 -0.01 0.00 0.00 175.02 175.05 2aaa s GLY 124 N -4.09 1.29 -0.18 -0.03 0.00 0.11 -3.36 107.32 101.05 2aaa s GLY 124 Ca 0.46 -1.21 -0.07 0.00 0.00 0.00 0.00 44.72 43.89 2aaa s GLY 124 CO 0.28 -1.15 0.40 -0.47 0.00 0.00 0.00 173.10 172.16 2aaa s TYR 125 N -0.91 -0.69 -1.25 1.90 5.04 -0.40 -4.77 117.35 116.26 2aaa s TYR 125 Ca 0.09 1.38 -0.19 0.00 -2.44 0.00 0.00 57.07 55.92 2aaa s TYR 125 Cb -0.10 0.25 0.01 0.00 0.35 0.00 0.00 41.96 42.48 2aaa s TYR 125 CO 0.03 -0.42 1.88 0.00 -1.34 0.00 0.00 175.55 175.70 2aaa n ALA 126 N 5.02 3.44 0.00 3.97 0.00 -1.26 -0.71 120.51 130.97 2aaa n ALA 126 Ca -0.13 -3.61 0.00 0.00 0.00 0.00 0.00 53.44 49.70 2aaa n ALA 126 Cb 0.51 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.39 2aaa n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aaa n GLY 127 N 5.20 1.67 3.85 0.00 0.00 -0.47 -4.95 105.19 110.49 2aaa n GLY 127 Ca 0.49 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 2aaa n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aaa s ASN 128 N 0.00 6.50 0.58 1.61 4.22 -1.20 -2.83 114.94 123.81 2aaa s ASN 128 Ca 0.00 1.53 0.33 0.00 -2.14 0.00 0.00 52.86 52.58 2aaa s ASN 128 Cb 0.00 -2.50 1.37 0.00 1.28 0.00 0.00 41.25 41.40 2aaa s ASN 128 CO 0.00 -0.68 1.66 1.23 -2.04 0.00 0.00 177.10 177.27 2aaa h GLY 129 N 0.54 0.00 1.47 0.45 0.00 -1.87 -1.82 103.07 101.84 2aaa h GLY 129 Ca -0.46 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.70 2aaa h GLY 129 CO 0.62 0.00 -0.61 3.43 0.00 0.00 0.00 176.54 179.97 2aaa h ASN 130 N 0.00 0.61 -0.97 0.19 -0.26 -1.99 -3.33 115.58 109.84 2aaa h ASN 130 Ca 0.48 -0.35 -0.56 0.00 -0.56 0.00 0.00 56.30 55.30 2aaa h ASN 130 Cb 2.30 -0.18 -0.30 0.00 -1.06 0.00 0.00 38.32 39.09 2aaa h ASN 130 CO -0.01 1.08 0.68 0.47 -1.06 0.00 0.00 177.43 178.60 2aaa n ASP 131 N -3.93 5.04 -4.75 5.81 8.00 -0.69 -5.00 116.55 121.05 2aaa n ASP 131 Ca -0.04 -3.68 -0.41 0.00 0.71 0.00 0.00 54.79 51.38 2aaa n ASP 131 Cb 0.64 -0.87 -0.04 0.00 -0.02 0.00 0.00 41.12 40.83 2aaa n ASP 131 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2aaa s VAL 132 N -3.83 3.73 -0.56 2.53 1.01 -1.23 -4.82 120.40 117.22 2aaa s VAL 132 Ca 0.59 1.58 -0.17 0.00 0.00 0.00 0.00 61.98 63.98 2aaa s VAL 132 Cb 0.49 -4.01 0.12 0.00 0.00 0.00 0.00 36.38 32.97 2aaa s VAL 132 CO 0.06 0.32 0.59 -0.62 0.00 0.00 0.00 175.10 175.45 2aaa s ASP 133 N -0.43 6.19 0.00 3.32 2.15 -1.26 -4.98 116.67 121.66 2aaa s ASP 133 Ca 0.47 -1.63 0.14 0.00 0.43 0.00 0.00 52.55 51.96 2aaa s ASP 133 Cb -0.30 -2.25 0.64 0.00 -0.30 0.00 0.00 42.92 40.71 2aaa s ASP 133 CO 0.37 -0.98 1.44 -1.22 -0.17 0.00 0.00 175.17 174.61 2aaa n TYR 134 N 5.74 0.00 0.26 -5.34 4.02 -1.26 -3.13 117.16 117.44 2aaa n TYR 134 Ca -0.12 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.90 2aaa n TYR 134 Cb 0.41 -0.44 0.67 0.00 -0.02 0.00 0.00 39.34 39.96 2aaa n TYR 134 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2aaa h SER 135 N 0.00 0.00 0.76 7.72 4.64 -1.91 -3.07 113.55 121.69 2aaa h SER 135 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aaa h SER 135 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2aaa h SER 135 CO 0.00 0.14 0.00 -0.37 -0.87 0.00 0.00 176.83 175.73 2aaa h VAL 136 N 0.00 0.00 -3.23 0.95 -1.51 -1.94 -3.46 116.25 107.05 2aaa h VAL 136 Ca -0.00 -0.31 -0.57 0.00 -1.23 0.00 0.00 66.70 64.59 2aaa h VAL 136 Cb 0.46 1.13 -0.04 0.00 -2.13 0.00 0.00 31.29 30.71 2aaa h VAL 136 CO 0.02 0.00 -0.17 -0.36 -1.23 0.00 0.00 177.57 175.83 2aaa s PHE 137 N -3.49 3.57 -0.05 5.19 0.08 -1.16 -4.59 117.98 117.54 2aaa s PHE 137 Ca 0.02 0.90 -0.02 0.00 0.12 0.00 0.00 56.93 57.95 2aaa s PHE 137 Cb 0.09 -2.25 0.03 0.00 -0.57 0.00 0.00 43.02 40.32 2aaa s PHE 137 CO 0.43 0.45 0.04 0.34 -0.10 0.00 0.00 175.22 176.38 2aaa s ASP 138 N -1.83 1.18 0.00 1.36 2.15 -0.63 -3.72 116.67 115.18 2aaa s ASP 138 Ca 0.37 0.02 0.29 0.00 0.43 0.00 0.00 52.55 53.65 2aaa s ASP 138 Cb -0.14 -0.24 1.18 0.00 -0.30 0.00 0.00 42.92 43.42 2aaa s ASP 138 CO 0.19 -0.22 1.82 -0.81 -0.17 0.00 0.00 175.17 175.98 2aaa n PRO 139 N 5.11 1.35 -0.69 4.34 -0.04 -1.26 -1.64 135.00 142.17 2aaa n PRO 139 Ca -0.07 -0.66 -0.11 0.00 -0.04 0.00 0.00 63.50 62.62 2aaa n PRO 139 Cb 0.50 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2aaa n PRO 139 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2aaa n PHE 140 N -0.25 0.28 0.71 0.54 3.72 -1.26 -4.73 117.46 116.47 2aaa n PHE 140 Ca 0.19 -1.19 -0.01 0.00 -0.05 0.00 0.00 57.45 56.38 2aaa n PHE 140 Cb 0.30 -1.30 0.01 0.00 -0.94 0.00 0.00 39.48 37.55 2aaa n PHE 140 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2aaa n ASP 141 N 2.92 3.33 -3.81 4.37 5.75 -1.24 -4.74 116.55 123.12 2aaa n ASP 141 Ca 0.32 -2.14 -0.14 0.00 -0.01 0.00 0.00 54.79 52.83 2aaa n ASP 141 Cb 0.52 -0.59 -0.15 0.00 -1.03 0.00 0.00 41.12 39.87 2aaa n ASP 141 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2aaa s SER 142 N 0.97 0.03 0.31 -1.12 0.15 -1.26 -4.63 113.70 108.15 2aaa s SER 142 Ca 0.03 0.04 0.21 0.00 0.70 0.00 0.00 55.95 56.93 2aaa s SER 142 Cb 0.03 -0.02 1.14 0.00 -1.71 0.00 0.00 66.02 65.46 2aaa s SER 142 CO 0.01 -0.08 1.65 -1.54 1.20 0.00 0.00 173.24 174.48 2aaa n SER 143 N 3.71 0.55 0.24 5.45 3.41 -1.26 -2.86 113.62 122.85 2aaa n SER 143 Ca -0.21 0.76 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 2aaa n SER 143 Cb 0.54 -0.83 0.70 0.00 -0.26 0.00 0.00 64.21 64.36 2aaa n SER 143 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2aaa h SER 144 N 0.00 0.00 0.72 4.04 0.02 -1.95 -1.97 113.55 114.41 2aaa h SER 144 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2aaa h SER 144 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2aaa h SER 144 CO 0.00 0.00 -0.18 -1.22 -1.14 0.00 0.00 176.83 174.29 2aaa n TYR 145 N -4.39 0.00 -4.05 3.45 4.01 -1.14 -4.93 117.16 110.11 2aaa n TYR 145 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.51 2aaa n TYR 145 Cb 0.14 -0.36 -0.04 0.00 -0.31 0.00 0.00 39.34 38.77 2aaa n TYR 145 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2aaa s PHE 146 N -2.90 3.04 0.32 -0.72 0.40 -0.74 -0.31 117.98 117.07 2aaa s PHE 146 Ca 0.16 -0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 56.17 2aaa s PHE 146 Cb 0.19 -1.48 -0.09 0.00 0.51 0.00 0.00 43.02 42.14 2aaa s PHE 146 CO 0.58 0.45 0.75 -1.01 0.70 0.00 0.00 175.22 176.68 2aaa s HIS 147 N -2.18 3.38 0.24 0.36 3.76 0.19 -4.61 115.29 116.43 2aaa s HIS 147 Ca 0.35 1.25 -0.31 0.00 -0.15 0.00 0.00 55.06 56.20 2aaa s HIS 147 Cb -0.07 -2.56 -0.14 0.00 1.11 0.00 0.00 32.58 30.92 2aaa s HIS 147 CO 0.25 0.09 1.37 -0.35 -0.85 0.00 0.00 174.74 175.25 2aaa n PRO 148 N -0.33 1.94 -1.69 8.40 -0.04 -1.26 -4.68 135.00 137.35 2aaa n PRO 148 Ca 0.03 0.69 -0.44 0.00 -0.04 0.00 0.00 63.50 63.74 2aaa n PRO 148 Cb 0.53 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.63 2aaa n PRO 148 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2aaa n TYR 149 N 1.76 2.48 -3.55 0.54 9.36 -1.26 -4.83 117.16 121.66 2aaa n TYR 149 Ca 0.12 0.03 -0.16 0.00 3.32 0.00 0.00 57.90 61.20 2aaa n TYR 149 Cb 0.31 -2.65 -0.06 0.00 -0.63 0.00 0.00 39.34 36.30 2aaa n TYR 149 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2aaa s LEU 151 N -0.79 4.00 -0.55 0.00 1.43 -1.26 0.13 118.68 121.65 2aaa s LEU 151 Ca -0.07 0.70 -0.23 0.00 -1.03 0.00 0.00 54.13 53.50 2aaa s LEU 151 Cb -0.01 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.71 2aaa s LEU 151 CO 0.07 -0.26 0.88 -0.63 0.23 0.00 0.00 176.35 176.64 2aaa s ILE 152 N -2.20 4.49 -0.08 -0.59 1.01 -0.90 -4.63 121.20 118.31 2aaa s ILE 152 Ca 0.44 0.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.15 2aaa s ILE 152 Cb -0.10 -4.50 -0.26 0.00 0.01 0.00 0.00 42.46 37.61 2aaa s ILE 152 CO 0.32 -1.07 0.54 0.00 0.00 0.00 0.00 174.94 174.74 2aaa h THR 153 N 5.98 0.78 -3.43 2.92 1.03 -1.92 -3.45 112.91 114.82 2aaa h THR 153 Ca -0.27 -2.51 -0.63 0.00 -0.01 0.00 0.00 66.41 62.99 2aaa h THR 153 Cb 1.08 2.54 -0.40 0.00 -1.07 0.00 0.00 68.15 70.30 2aaa h THR 153 CO 1.07 0.78 -0.73 -0.62 -0.01 0.00 0.00 175.52 176.01 2aaa s ASP 154 N -6.81 4.41 0.00 0.00 2.15 -1.26 -5.05 116.67 110.11 2aaa s ASP 154 Ca -0.15 -2.00 0.13 0.00 0.43 0.00 0.00 52.55 50.96 2aaa s ASP 154 Cb 0.07 -1.29 0.62 0.00 -0.30 0.00 0.00 42.92 42.02 2aaa s ASP 154 CO 0.80 -0.38 1.38 0.79 -0.17 0.00 0.00 175.17 177.59 2aaa n TRP 155 N 4.42 0.00 0.53 -5.34 7.02 -1.26 -2.40 117.44 120.40 2aaa n TRP 155 Ca 0.02 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.62 2aaa n TRP 155 Cb 0.41 -0.38 0.23 0.00 -2.42 0.00 0.00 31.31 29.15 2aaa n TRP 155 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2aaa h ASP 156 N 0.00 0.00 -2.30 -0.99 3.32 -2.02 -3.42 116.42 111.00 2aaa h ASP 156 Ca 0.00 -0.12 -0.68 0.00 0.02 0.00 0.00 57.03 56.25 2aaa h ASP 156 Cb 0.17 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.55 2aaa h ASP 156 CO 0.00 0.06 0.87 0.21 -1.72 0.00 0.00 179.24 178.66 2aaa s ASN 157 N -4.54 6.57 0.56 6.45 3.04 -1.01 -4.92 114.94 121.09 2aaa s ASN 157 Ca 0.07 -1.88 0.24 0.00 0.04 0.00 0.00 52.86 51.33 2aaa s ASN 157 Cb 0.12 -2.42 1.54 0.00 -1.54 0.00 0.00 41.25 38.95 2aaa s ASN 157 CO 0.69 -1.14 2.15 0.25 -3.04 0.00 0.00 177.10 176.00 2aaa h LEU 158 N 10.73 0.00 -0.47 3.21 5.85 -1.85 -1.24 115.31 131.54 2aaa h LEU 158 Ca 0.12 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.69 2aaa h LEU 158 Cb 1.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2aaa h LEU 158 CO 1.15 0.00 -0.33 0.74 -0.34 0.00 0.00 178.44 179.66 2aaa h THR 159 N 0.00 1.27 -0.70 1.05 2.02 -1.95 -2.65 112.91 111.95 2aaa h THR 159 Ca 0.05 -1.50 -0.07 0.00 0.77 0.00 0.00 66.41 65.66 2aaa h THR 159 Cb 0.24 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 2aaa h THR 159 CO -0.00 0.50 0.15 -0.03 0.37 0.00 0.00 175.52 176.51 2aaa h MET 160 N 0.76 1.13 -0.57 6.66 1.85 -1.61 0.11 114.93 123.26 2aaa h MET 160 Ca 0.08 -0.28 -0.01 0.00 -0.61 0.00 0.00 59.70 58.88 2aaa h MET 160 Cb 0.91 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.76 2aaa h MET 160 CO 0.08 1.01 0.32 0.28 -0.40 0.00 0.00 176.91 178.20 2aaa h VAL 161 N 1.07 1.17 0.06 -5.77 2.07 -1.10 0.63 116.25 114.37 2aaa h VAL 161 Ca 0.22 -0.41 -0.30 0.00 0.82 0.00 0.00 66.70 67.03 2aaa h VAL 161 Cb 0.40 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2aaa h VAL 161 CO 0.01 0.19 -1.62 -0.33 0.02 0.00 0.00 177.57 175.84 2aaa h GLU 162 N 0.79 0.12 0.00 1.57 5.08 -1.26 -3.41 114.58 117.48 2aaa h GLU 162 Ca 0.20 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2aaa h GLU 162 Cb 0.00 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2aaa h GLU 162 CO -0.04 0.86 -1.64 -0.25 -1.00 0.00 0.00 179.01 176.94 2aaa n ASP 163 N -3.28 0.81 -4.85 1.42 9.92 0.35 -4.75 116.55 116.18 2aaa n ASP 163 Ca -0.17 -0.18 -0.22 0.00 -0.53 0.00 0.00 54.79 53.69 2aaa n ASP 163 Cb 1.04 1.67 0.08 0.00 -0.64 0.00 0.00 41.12 43.27 2aaa n ASP 163 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aaa s TRP 165 N -2.89 3.50 0.90 0.00 0.52 0.36 -4.83 118.94 116.50 2aaa s TRP 165 Ca 0.63 0.44 -0.12 0.00 0.02 0.00 0.00 56.10 57.07 2aaa s TRP 165 Cb -0.06 -1.96 0.13 0.00 -1.15 0.00 0.00 33.47 30.43 2aaa s TRP 165 CO 0.41 0.62 1.10 -1.21 0.02 0.00 0.00 176.95 177.88 2aaa s GLU 166 N -0.75 1.22 0.25 4.98 2.02 -1.26 -2.12 118.70 123.04 2aaa s GLU 166 Ca 0.13 0.67 0.00 0.00 0.02 0.00 0.00 54.97 55.79 2aaa s GLU 166 Cb -0.12 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.30 2aaa s GLU 166 CO 0.03 -2.23 0.00 0.41 0.02 0.00 0.00 175.26 173.49 2aaa n GLY 167 N -1.40 -1.79 0.00 -1.39 0.00 -1.26 -2.97 105.19 96.37 2aaa n GLY 167 Ca 0.07 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2aaa n GLY 167 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2aaa n ASP 168 N 0.09 0.12 -0.01 1.61 5.68 -1.10 -4.87 116.55 118.07 2aaa n ASP 168 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.41 2aaa n ASP 168 Cb 0.00 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.15 2aaa n ASP 168 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2aaa n THR 169 N 0.00 0.00 -0.10 2.12 5.66 -1.26 -3.74 114.28 116.96 2aaa n THR 169 Ca 0.00 -0.01 -0.22 0.00 -3.05 0.00 0.00 64.05 60.77 2aaa n THR 169 Cb 0.00 0.43 -0.12 0.00 -1.55 0.00 0.00 70.33 69.10 2aaa n THR 169 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2aaa n ILE 170 N -1.46 1.54 -3.94 1.09 5.41 -1.26 -3.27 119.36 117.48 2aaa n ILE 170 Ca 0.05 -0.07 -0.31 0.00 1.00 0.00 0.00 62.75 63.43 2aaa n ILE 170 Cb 0.34 -2.02 -0.15 0.00 -0.71 0.00 0.00 39.64 37.09 2aaa n ILE 170 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2aaa s VAL 171 N -2.38 1.64 0.27 1.39 1.01 -1.26 -1.36 120.40 119.71 2aaa s VAL 171 Ca -0.29 -1.47 -0.07 0.00 0.00 0.00 0.00 61.98 60.15 2aaa s VAL 171 Cb 0.06 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 2aaa s VAL 171 CO 0.59 -0.24 0.56 -0.94 0.00 0.00 0.00 175.10 175.07 2aaa s SER 172 N 1.31 6.51 -0.87 3.32 1.04 0.11 -2.71 113.70 122.41 2aaa s SER 172 Ca -0.02 0.81 -0.01 0.00 0.48 0.00 0.00 55.95 57.22 2aaa s SER 172 Cb -0.19 -2.18 0.21 0.00 0.10 0.00 0.00 66.02 63.96 2aaa s SER 172 CO -0.09 -0.16 0.74 -0.76 0.98 0.00 0.00 173.24 173.95 2aaa s LEU 173 N -3.31 5.45 -0.38 2.42 1.43 -1.16 -1.28 118.68 121.86 2aaa s LEU 173 Ca 0.46 -3.76 -0.40 0.00 -1.03 0.00 0.00 54.13 49.39 2aaa s LEU 173 Cb -0.11 -1.87 -0.16 0.00 0.03 0.00 0.00 46.19 44.09 2aaa s LEU 173 CO 0.27 -0.16 1.94 -2.65 0.23 0.00 0.00 176.35 175.98 2aaa n PRO 174 N 2.25 0.73 -2.68 1.29 -0.02 -1.21 -4.35 135.00 131.01 2aaa n PRO 174 Ca 0.21 0.24 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 2aaa n PRO 174 Cb 0.37 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 2aaa n PRO 174 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2aaa s ASP 175 N 5.11 6.79 0.52 2.55 2.15 -1.26 -2.40 116.67 130.13 2aaa s ASP 175 Ca 1.07 0.78 -0.19 0.00 0.43 0.00 0.00 52.55 54.64 2aaa s ASP 175 Cb -1.16 -2.52 -0.07 0.00 -0.30 0.00 0.00 42.92 38.87 2aaa s ASP 175 CO 0.63 -0.96 1.08 -0.76 -0.17 0.00 0.00 175.17 174.99 2aaa s LEU 176 N 3.78 3.77 -1.03 -1.34 1.43 -0.49 0.54 118.68 125.33 2aaa s LEU 176 Ca 0.44 2.03 -0.18 0.00 -1.03 0.00 0.00 54.13 55.39 2aaa s LEU 176 Cb -0.11 -4.57 0.13 0.00 0.03 0.00 0.00 46.19 41.67 2aaa s LEU 176 CO 0.20 -1.01 1.27 -0.62 0.23 0.00 0.00 176.35 176.42 2aaa s ASP 177 N -1.96 6.74 0.00 2.29 -1.08 0.58 -4.56 116.67 118.68 2aaa s ASP 177 Ca 0.69 -2.26 0.22 0.00 -0.52 0.00 0.00 52.55 50.69 2aaa s ASP 177 Cb -0.20 -2.43 1.03 0.00 -1.46 0.00 0.00 42.92 39.87 2aaa s ASP 177 CO 0.25 -1.03 1.72 0.35 0.52 0.00 0.00 175.17 176.97 2aaa n THR 178 N 5.45 0.40 0.21 1.71 -2.24 -1.26 -2.77 114.28 115.77 2aaa n THR 178 Ca 0.30 0.10 0.10 0.00 -2.27 0.00 0.00 64.05 62.28 2aaa n THR 178 Cb 0.47 -0.73 0.18 0.00 -2.10 0.00 0.00 70.33 68.16 2aaa n THR 178 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2aaa h THR 179 N 0.00 0.22 -3.08 4.28 1.35 -1.98 -3.42 112.91 110.29 2aaa h THR 179 Ca 0.00 -1.26 -0.53 0.00 -0.55 0.00 0.00 66.41 64.07 2aaa h THR 179 Cb 0.29 2.06 0.02 0.00 -1.73 0.00 0.00 68.15 68.80 2aaa h THR 179 CO 0.00 0.12 0.71 -1.61 -0.25 0.00 0.00 175.52 174.49 2aaa s GLU 180 N -3.20 4.34 0.33 4.72 2.02 -1.12 -4.92 118.70 120.88 2aaa s GLU 180 Ca 0.06 2.06 0.03 0.00 0.02 0.00 0.00 54.97 57.14 2aaa s GLU 180 Cb 0.06 -3.24 0.64 0.00 0.10 0.00 0.00 34.13 31.69 2aaa s GLU 180 CO 0.68 -0.40 1.94 1.15 0.02 0.00 0.00 175.26 178.65 2aaa h THR 181 N 4.17 1.05 -0.36 3.63 2.02 -1.89 -0.44 112.91 121.09 2aaa h THR 181 Ca -0.43 -0.30 -0.11 0.00 0.77 0.00 0.00 66.41 66.34 2aaa h THR 181 Cb 1.21 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2aaa h THR 181 CO 0.85 0.16 -0.22 0.00 0.37 0.00 0.00 175.52 176.68 2aaa h ALA 182 N 1.56 0.52 -0.02 6.16 0.00 -1.95 -0.98 119.26 124.54 2aaa h ALA 182 Ca 0.34 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2aaa h ALA 182 Cb 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2aaa h ALA 182 CO -0.12 0.49 -0.70 -0.39 0.00 0.00 0.00 179.25 178.53 2aaa h VAL 183 N 0.58 1.45 -0.56 0.00 -1.51 -1.63 -2.07 116.25 112.52 2aaa h VAL 183 Ca 0.08 -2.27 -0.11 0.00 -1.23 0.00 0.00 66.70 63.16 2aaa h VAL 183 Cb 0.78 2.21 -0.02 0.00 -2.13 0.00 0.00 31.29 32.13 2aaa h VAL 183 CO 0.06 0.66 -0.09 0.03 -1.23 0.00 0.00 177.57 177.00 2aaa h ARG 184 N 0.09 1.04 0.07 5.19 3.08 -0.99 -2.32 114.38 120.54 2aaa h ARG 184 Ca -0.01 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.66 2aaa h ARG 184 Cb 1.24 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2aaa h ARG 184 CO 0.10 1.07 -0.03 1.15 -1.07 0.00 0.00 179.97 181.19 2aaa h THR 185 N 0.92 0.95 -0.13 2.04 2.02 -1.15 0.71 112.91 118.26 2aaa h THR 185 Ca 0.15 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.33 2aaa h THR 185 Cb 0.66 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 2aaa h THR 185 CO 0.05 0.01 -0.09 0.40 0.37 0.00 0.00 175.52 176.25 2aaa h ILE 186 N -0.10 0.73 -0.55 3.11 2.04 -1.28 -1.61 117.51 119.85 2aaa h ILE 186 Ca -0.01 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 2aaa h ILE 186 Cb 0.08 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2aaa h ILE 186 CO 0.01 0.00 0.01 -0.50 0.00 0.00 0.00 178.15 177.68 2aaa h TRP 187 N -0.09 1.04 -0.42 1.37 -0.00 -1.16 0.59 115.95 117.28 2aaa h TRP 187 Ca 0.08 -0.18 -0.15 0.00 -0.00 0.00 0.00 58.89 58.65 2aaa h TRP 187 Cb 0.21 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 29.09 2aaa h TRP 187 CO -0.22 0.94 -0.33 1.88 -0.00 0.00 0.00 178.44 180.72 2aaa h TYR 188 N 0.84 1.12 -0.24 0.49 0.05 0.62 -1.59 116.97 118.27 2aaa h TYR 188 Ca 0.16 -0.32 -0.02 0.00 0.05 0.00 0.00 58.73 58.60 2aaa h TYR 188 Cb 0.52 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 2aaa h TYR 188 CO 0.04 1.14 0.07 -0.44 -1.05 0.00 0.00 178.16 177.92 2aaa h ASP 189 N 0.79 0.35 -0.21 3.88 3.32 -1.27 -2.69 116.42 120.61 2aaa h ASP 189 Ca 0.08 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 56.98 2aaa h ASP 189 Cb 0.92 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.31 2aaa h ASP 189 CO 0.09 0.47 -0.26 -0.25 -1.72 0.00 0.00 179.24 177.57 2aaa h TRP 190 N 0.22 -0.69 -0.11 4.55 7.01 -0.63 -1.47 115.95 124.83 2aaa h TRP 190 Ca 0.08 0.04 -0.11 0.00 2.11 0.00 0.00 58.89 61.00 2aaa h TRP 190 Cb 0.24 0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 2aaa h TRP 190 CO 0.00 -0.33 -0.42 -0.24 -2.79 0.00 0.00 178.44 174.66 2aaa h VAL 191 N -0.28 1.32 -0.67 2.65 3.04 -1.28 -0.63 116.25 120.40 2aaa h VAL 191 Ca 0.12 -1.56 -0.07 0.00 -1.01 0.00 0.00 66.70 64.19 2aaa h VAL 191 Cb 0.48 1.71 -0.03 0.00 -2.01 0.00 0.00 31.29 31.43 2aaa h VAL 191 CO -0.37 0.46 0.15 0.00 -1.01 0.00 0.00 177.57 176.80 2aaa h ALA 192 N 1.36 0.89 -0.04 3.17 0.00 -1.21 -1.76 119.26 121.66 2aaa h ALA 192 Ca 0.02 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 2aaa h ALA 192 Cb 0.84 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2aaa h ALA 192 CO 0.07 0.62 -0.76 -0.44 0.00 0.00 0.00 179.25 178.73 2aaa h ASP 193 N 1.01 0.34 -0.06 0.00 3.32 -1.15 -1.97 116.42 117.91 2aaa h ASP 193 Ca 0.21 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2aaa h ASP 193 Cb 0.39 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 2aaa h ASP 193 CO 0.01 0.98 0.04 0.25 -1.72 0.00 0.00 179.24 178.80 2aaa h LEU 194 N 0.18 0.07 -0.81 1.55 5.85 -0.87 0.30 115.31 121.59 2aaa h LEU 194 Ca -0.03 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2aaa h LEU 194 Cb 1.34 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 2aaa h LEU 194 CO 0.12 0.07 0.29 0.58 -0.34 0.00 0.00 178.44 179.16 2aaa h VAL 195 N 0.07 1.26 -0.10 1.05 2.07 -1.23 -1.86 116.25 117.51 2aaa h VAL 195 Ca 0.02 -0.85 -0.21 0.00 0.82 0.00 0.00 66.70 66.49 2aaa h VAL 195 Cb 0.01 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2aaa h VAL 195 CO -0.00 0.34 -0.78 -1.28 0.02 0.00 0.00 177.57 175.86 2aaa h SER 196 N 1.14 0.72 0.45 0.57 0.87 -1.27 -0.63 113.55 115.41 2aaa h SER 196 Ca 0.26 -0.49 -0.25 0.00 -1.23 0.00 0.00 61.79 60.08 2aaa h SER 196 Cb 0.24 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2aaa h SER 196 CO -0.02 1.26 -1.08 0.78 -0.53 0.00 0.00 176.83 177.24 2aaa h ASN 197 N 0.40 0.50 -0.20 6.23 2.35 -0.18 -3.32 115.58 121.36 2aaa h ASN 197 Ca -0.05 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 2aaa h ASN 197 Cb 1.39 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2aaa h ASN 197 CO 0.15 1.29 0.00 -1.22 -1.65 0.00 0.00 177.43 176.00 2aaa n TYR 198 N -3.66 0.26 -3.68 1.19 4.01 -0.72 -4.95 117.16 109.61 2aaa n TYR 198 Ca -0.08 -0.23 -0.22 0.00 -0.16 0.00 0.00 57.90 57.22 2aaa n TYR 198 Cb 0.92 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.97 2aaa n TYR 198 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2aaa n SER 199 N 0.75 -1.61 -4.76 7.72 7.64 -0.27 -4.77 113.62 118.32 2aaa n SER 199 Ca 0.11 -0.83 -0.36 0.00 1.01 0.00 0.00 58.87 58.80 2aaa n SER 199 Cb 0.40 -4.06 0.02 0.00 -1.01 0.00 0.00 64.21 59.55 2aaa n SER 199 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2aaa s VAL 200 N -3.65 2.75 -0.08 0.44 1.01 -1.02 -4.84 120.40 115.01 2aaa s VAL 200 Ca 0.05 0.50 0.21 0.00 0.00 0.00 0.00 61.98 62.74 2aaa s VAL 200 Cb -0.01 -3.22 -0.32 0.00 0.00 0.00 0.00 36.38 32.83 2aaa s VAL 200 CO 0.81 -0.07 0.48 0.47 0.00 0.00 0.00 175.10 176.79 2aaa n ASP 201 N -1.21 0.30 -3.55 3.32 8.00 -0.13 -4.70 116.55 118.58 2aaa n ASP 201 Ca 0.11 -0.05 -0.07 0.00 0.71 0.00 0.00 54.79 55.49 2aaa n ASP 201 Cb 0.49 1.90 -0.02 0.00 -0.02 0.00 0.00 41.12 43.47 2aaa n ASP 201 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2aaa s GLY 202 N -4.31 -0.42 0.04 0.44 0.00 -1.09 -1.63 107.32 100.35 2aaa s GLY 202 Ca -0.07 0.83 0.06 0.00 0.00 0.00 0.00 44.72 45.54 2aaa s GLY 202 CO 0.86 0.27 -0.17 1.08 0.00 0.00 0.00 173.10 175.13 2aaa s LEU 203 N -2.58 2.18 -0.22 0.66 1.43 0.31 -2.54 118.68 117.91 2aaa s LEU 203 Ca 0.06 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2aaa s LEU 203 Cb -0.01 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 2aaa s LEU 203 CO -0.07 0.09 -0.02 -0.60 0.23 0.00 0.00 176.35 175.98 2aaa s ARG 204 N -1.21 3.43 -0.33 1.70 3.00 -0.88 -1.39 118.95 123.27 2aaa s ARG 204 Ca 0.04 -0.60 -0.11 0.00 -1.00 0.00 0.00 55.73 54.07 2aaa s ARG 204 Cb -0.08 -3.06 -0.00 0.00 0.00 0.00 0.00 34.95 31.80 2aaa s ARG 204 CO 0.02 -0.19 0.19 0.42 0.00 0.00 0.00 175.30 175.73 2aaa s ILE 205 N 1.49 4.81 0.53 4.11 1.01 -0.67 -0.89 121.20 131.59 2aaa s ILE 205 Ca 0.06 -0.44 -0.21 0.00 0.00 0.00 0.00 60.65 60.06 2aaa s ILE 205 Cb -0.14 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 2aaa s ILE 205 CO -0.02 -0.01 1.21 -0.62 0.00 0.00 0.00 174.94 175.50 2aaa s ASP 206 N 1.64 5.63 -1.29 3.58 2.15 -0.46 -0.65 116.67 127.27 2aaa s ASP 206 Ca 0.05 2.40 -0.03 0.00 0.43 0.00 0.00 52.55 55.40 2aaa s ASP 206 Cb -0.17 -2.60 -0.00 0.00 -0.30 0.00 0.00 42.92 39.84 2aaa s ASP 206 CO 0.08 -1.30 0.68 -1.20 -0.17 0.00 0.00 175.17 173.26 2aaa n SER 207 N -1.05 -1.75 0.03 -0.34 7.64 -1.25 -4.68 113.62 112.21 2aaa n SER 207 Ca 0.10 -0.87 -0.12 0.00 1.01 0.00 0.00 58.87 59.00 2aaa n SER 207 Cb 0.48 -3.89 -0.00 0.00 -1.01 0.00 0.00 64.21 59.79 2aaa n SER 207 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2aaa h VAL 208 N -1.83 1.35 -0.13 0.44 2.07 -1.32 -2.83 116.25 113.99 2aaa h VAL 208 Ca -0.62 -2.09 0.04 0.00 0.82 0.00 0.00 66.70 64.85 2aaa h VAL 208 Cb 1.36 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 2aaa h VAL 208 CO 0.56 0.64 0.13 0.25 0.02 0.00 0.00 177.57 179.17 2aaa h LEU 209 N 0.36 0.00 -0.63 2.57 5.85 -1.91 -1.51 115.31 120.04 2aaa h LEU 209 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2aaa h LEU 209 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2aaa h LEU 209 CO 0.14 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 177.62 2aaa n GLU 210 N -3.96 1.42 -4.76 1.25 4.71 -1.07 -4.47 120.64 113.76 2aaa n GLU 210 Ca 0.00 -0.63 -0.25 0.00 -0.01 0.00 0.00 57.16 56.28 2aaa n GLU 210 Cb 0.25 -1.42 -0.15 0.00 -1.01 0.00 0.00 31.44 29.11 2aaa n GLU 210 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2aaa s VAL 211 N -1.94 1.51 0.30 2.62 1.01 -0.57 -4.30 120.40 119.04 2aaa s VAL 211 Ca 0.36 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 2aaa s VAL 211 Cb 0.19 -1.29 -0.11 0.00 0.00 0.00 0.00 36.38 35.17 2aaa s VAL 211 CO 0.30 0.31 1.50 0.00 0.00 0.00 0.00 175.10 177.21 2aaa s GLN 212 N -0.76 4.18 0.49 2.72 0.00 -1.26 -4.92 119.66 120.11 2aaa s GLN 212 Ca 0.07 2.46 0.15 0.00 -0.00 0.00 0.00 55.36 58.04 2aaa s GLN 212 Cb -0.08 -3.04 1.17 0.00 0.00 0.00 0.00 33.01 31.06 2aaa s GLN 212 CO 0.00 -0.51 2.08 -1.00 0.00 0.00 0.00 175.29 175.86 2aaa h PRO 213 N 4.45 0.17 0.00 9.60 0.13 -1.97 -0.73 132.00 143.64 2aaa h PRO 213 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2aaa h PRO 213 Cb 1.22 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2aaa h PRO 213 CO 0.75 0.11 0.00 0.38 -0.23 0.00 0.00 178.00 179.01 2aaa h ASP 214 N 0.17 0.00 -0.40 1.44 2.03 -1.99 -1.97 116.42 115.71 2aaa h ASP 214 Ca 0.11 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.35 2aaa h ASP 214 Cb 0.22 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.70 2aaa h ASP 214 CO -0.02 0.00 0.06 0.15 -1.03 0.00 0.00 179.24 178.41 2aaa h PHE 215 N 0.00 0.77 -0.32 4.15 3.57 -1.47 -3.38 116.94 120.25 2aaa h PHE 215 Ca 0.00 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 2aaa h PHE 215 Cb 0.27 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2aaa h PHE 215 CO 0.00 0.68 0.06 0.74 -2.23 0.00 0.00 178.31 177.57 2aaa h PHE 216 N 0.71 0.55 -0.75 0.41 0.04 -1.53 -3.20 116.94 113.16 2aaa h PHE 216 Ca 0.15 -0.07 0.11 0.00 2.80 0.00 0.00 57.97 60.96 2aaa h PHE 216 Cb 0.34 -0.15 -0.08 0.00 2.20 0.00 0.00 35.95 38.26 2aaa h PHE 216 CO 0.02 0.59 0.37 -1.35 -0.60 0.00 0.00 178.31 177.33 2aaa h PRO 217 N 0.36 0.57 0.00 1.51 0.11 -1.73 0.98 132.00 133.80 2aaa h PRO 217 Ca 0.10 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 2aaa h PRO 217 Cb 0.32 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 2aaa h PRO 217 CO 0.00 0.38 -0.11 0.78 -0.21 0.00 0.00 178.00 178.84 2aaa h GLY 218 N 0.59 0.00 0.19 -0.55 0.00 -1.84 -1.32 103.07 100.13 2aaa h GLY 218 Ca 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 2aaa h GLY 218 CO -0.31 0.00 -0.01 -1.82 0.00 0.00 0.00 176.54 174.39 2aaa h TYR 219 N 0.00 -0.04 -0.42 5.60 3.20 -1.21 -1.49 116.97 122.61 2aaa h TYR 219 Ca -0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.95 2aaa h TYR 219 Cb 0.87 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 39.07 2aaa h TYR 219 CO 0.00 0.66 -0.16 -0.97 -1.64 0.00 0.00 178.16 176.05 2aaa h ASN 220 N -0.85 -0.55 -0.33 -2.11 -0.00 -0.80 -1.95 115.58 108.99 2aaa h ASN 220 Ca -0.00 0.14 -0.10 0.00 -0.00 0.00 0.00 56.30 56.34 2aaa h ASN 220 Cb 0.71 0.32 -0.02 0.00 -0.00 0.00 0.00 38.32 39.34 2aaa h ASN 220 CO 0.01 -0.19 -0.15 0.11 -0.00 0.00 0.00 177.43 177.20 2aaa h LYS 221 N -0.07 0.78 -0.10 6.67 1.79 -1.29 -2.22 116.57 122.13 2aaa h LYS 221 Ca 0.20 -0.28 -0.12 0.00 -2.18 0.00 0.00 60.65 58.28 2aaa h LYS 221 Cb 0.38 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2aaa h LYS 221 CO -0.47 0.88 -0.48 0.00 -1.08 0.00 0.00 179.45 178.30 2aaa h ALA 222 N 1.14 1.01 0.00 3.86 0.00 -0.72 -3.04 119.26 121.50 2aaa h ALA 222 Ca 0.11 -0.46 -0.23 0.00 0.00 0.00 0.00 54.91 54.33 2aaa h ALA 222 Cb 0.64 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2aaa h ALA 222 CO 0.04 0.64 -1.13 0.66 0.00 0.00 0.00 179.25 179.47 2aaa h SER 223 N 0.20 0.01 -0.42 0.00 4.64 -1.19 -3.33 113.55 113.45 2aaa h SER 223 Ca 0.01 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2aaa h SER 223 Cb 0.92 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.97 2aaa h SER 223 CO 0.07 1.01 -0.13 0.61 -0.87 0.00 0.00 176.83 177.53 2aaa n GLY 224 N 1.39 0.74 3.31 -0.77 0.00 -0.85 -4.84 105.19 104.17 2aaa n GLY 224 Ca -0.03 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 2aaa n GLY 224 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aaa s VAL 225 N -2.26 0.08 0.35 1.61 -7.23 -1.26 -4.57 120.40 107.13 2aaa s VAL 225 Ca 0.00 -1.26 -0.26 0.00 -1.81 0.00 0.00 61.98 58.65 2aaa s VAL 225 Cb 0.00 -1.66 -0.12 0.00 0.56 0.00 0.00 36.38 35.15 2aaa s VAL 225 CO 0.00 -0.38 1.02 0.00 -0.31 0.00 0.00 175.10 175.44 2aaa n TYR 226 N -0.18 1.28 -4.28 2.82 9.36 -0.47 -4.78 117.16 120.91 2aaa n TYR 226 Ca -0.10 0.62 -0.25 0.00 3.32 0.00 0.00 57.90 61.49 2aaa n TYR 226 Cb 0.63 -2.25 -0.17 0.00 -0.63 0.00 0.00 39.34 36.92 2aaa n TYR 226 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2aaa s VAL 228 N 1.11 2.76 0.21 0.00 0.11 -0.48 -2.35 120.40 121.75 2aaa s VAL 228 Ca -0.06 -0.83 -0.04 0.00 -2.93 0.00 0.00 61.98 58.12 2aaa s VAL 228 Cb -0.14 -2.29 -0.05 0.00 -1.53 0.00 0.00 36.38 32.37 2aaa s VAL 228 CO -0.02 0.38 0.44 -0.83 -3.33 0.00 0.00 175.10 171.74 2aaa s GLY 229 N 1.36 1.97 -0.42 6.54 0.00 0.07 -1.68 107.32 115.17 2aaa s GLY 229 Ca 0.03 -0.65 -0.18 0.00 0.00 0.00 0.00 44.72 43.93 2aaa s GLY 229 CO -0.07 -0.57 0.50 1.85 0.00 0.00 0.00 173.10 174.81 2aaa s GLU 230 N -3.15 3.22 -0.40 2.90 2.12 0.18 -1.59 118.70 121.98 2aaa s GLU 230 Ca 0.41 -0.57 0.03 0.00 0.36 0.00 0.00 54.97 55.20 2aaa s GLU 230 Cb -0.11 -3.94 0.11 0.00 0.26 0.00 0.00 34.13 30.45 2aaa s GLU 230 CO 0.27 -0.86 0.14 0.42 -0.54 0.00 0.00 175.26 174.69 2aaa s ILE 231 N 2.36 2.55 -1.25 -3.70 1.09 -1.26 -1.11 121.20 119.88 2aaa s ILE 231 Ca 0.16 -2.56 -0.19 0.00 -1.10 0.00 0.00 60.65 56.96 2aaa s ILE 231 Cb -0.16 -2.82 0.04 0.00 -1.06 0.00 0.00 42.46 38.45 2aaa s ILE 231 CO 0.15 -0.67 1.76 -0.62 -0.10 0.00 0.00 174.94 175.46 2aaa s ASP 232 N 0.75 6.43 -0.21 3.58 -1.08 -1.26 -4.80 116.67 120.08 2aaa s ASP 232 Ca 0.12 -2.18 -0.27 0.00 -0.52 0.00 0.00 52.55 49.70 2aaa s ASP 232 Cb -0.21 -2.58 0.09 0.00 -1.46 0.00 0.00 42.92 38.76 2aaa s ASP 232 CO -0.06 -1.60 0.83 0.21 0.52 0.00 0.00 175.17 175.07 2aaa s ASN 233 N 4.80 -0.60 0.00 -0.34 2.47 -1.26 -5.05 114.94 114.95 2aaa s ASN 233 Ca 0.56 1.01 0.31 0.00 0.42 0.00 0.00 52.86 55.17 2aaa s ASN 233 Cb 0.03 0.97 1.77 0.00 -1.45 0.00 0.00 41.25 42.57 2aaa s ASN 233 CO 0.07 -0.31 2.16 0.61 -3.72 0.00 0.00 177.10 175.91 2aaa n GLY 234 N 1.94 -0.91 3.48 1.21 0.00 -1.26 -4.07 105.19 105.58 2aaa n GLY 234 Ca -0.14 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 2aaa n GLY 234 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2aaa s ASN 235 N -2.05 5.69 0.47 1.61 3.04 -1.26 -4.37 114.94 118.06 2aaa s ASN 235 Ca 0.45 -0.39 0.13 0.00 0.04 0.00 0.00 52.86 53.09 2aaa s ASN 235 Cb 0.22 -2.04 1.09 0.00 -1.54 0.00 0.00 41.25 38.98 2aaa s ASN 235 CO 0.38 -0.17 2.09 1.55 -3.04 0.00 0.00 177.10 177.91 2aaa h PRO 236 N 8.37 0.26 0.00 0.43 0.13 -1.95 0.16 132.00 139.39 2aaa h PRO 236 Ca -0.33 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 2aaa h PRO 236 Cb 1.16 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2aaa h PRO 236 CO 0.61 0.17 -0.23 0.00 -0.23 0.00 0.00 178.00 178.31 2aaa h ALA 237 N 1.85 1.10 0.07 -0.56 0.00 -1.93 0.16 119.26 119.94 2aaa h ALA 237 Ca 0.11 -0.21 -0.36 0.00 0.00 0.00 0.00 54.91 54.45 2aaa h ALA 237 Cb 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2aaa h ALA 237 CO -0.02 0.29 -2.07 0.45 0.00 0.00 0.00 179.25 177.90 2aaa n SER 238 N -3.51 1.73 0.01 0.00 2.88 0.35 -4.58 113.62 110.49 2aaa n SER 238 Ca -0.01 0.16 0.11 0.00 -1.33 0.00 0.00 58.87 57.81 2aaa n SER 238 Cb 0.39 -0.50 -0.12 0.00 -0.75 0.00 0.00 64.21 63.23 2aaa n SER 238 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2aaa n ASP 239 N -3.31 0.32 -0.13 -3.46 5.68 0.02 -4.32 116.55 111.34 2aaa n ASP 239 Ca -0.32 -0.14 -0.03 0.00 -0.50 0.00 0.00 54.79 53.80 2aaa n ASP 239 Cb 1.04 1.53 0.19 0.00 -1.14 0.00 0.00 41.12 42.75 2aaa n ASP 239 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2aaa h PRO 241 N 0.81 0.00 0.00 0.00 0.11 -1.76 -2.03 132.00 129.13 2aaa h PRO 241 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2aaa h PRO 241 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 2aaa h PRO 241 CO -0.00 0.00 0.00 1.88 -0.21 0.00 0.00 178.00 179.67 2aaa h TYR 242 N 0.00 0.00 0.00 0.65 0.05 -1.76 -1.30 116.97 114.61 2aaa h TYR 242 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2aaa h TYR 242 Cb 0.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.91 2aaa h TYR 242 CO 0.00 0.00 0.00 0.37 -1.05 0.00 0.00 178.16 177.48 2aaa h GLN 243 N 0.00 0.00 0.00 4.88 4.15 -1.55 0.41 115.11 123.00 2aaa h GLN 243 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2aaa h GLN 243 Cb 0.48 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 2aaa h GLN 243 CO 0.00 0.00 -0.05 -0.22 -1.93 0.00 0.00 178.83 176.63 2aaa h LYS 244 N 0.00 0.00 0.00 1.69 1.63 -1.38 -3.27 116.57 115.24 2aaa h LYS 244 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2aaa h LYS 244 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2aaa h LYS 244 CO 0.00 0.05 -0.26 1.55 -3.45 0.00 0.00 179.45 177.34 2aaa n VAL 245 N -3.16 0.00 0.00 2.00 3.14 0.59 -4.91 118.33 115.98 2aaa n VAL 245 Ca 0.01 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 2aaa n VAL 245 Cb 0.34 0.81 0.00 0.00 -1.06 0.00 0.00 33.84 33.93 2aaa n VAL 245 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2aaa n LEU 246 N -0.96 2.63 0.00 6.55 4.77 0.11 -3.75 117.00 126.35 2aaa n LEU 246 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2aaa n LEU 246 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2aaa n LEU 246 CO 0.00 0.44 0.00 0.47 -1.33 0.00 0.00 177.39 176.97 2aaa n ASP 247 N -2.38 0.00 -4.08 -1.43 8.00 -1.23 -4.62 116.55 110.81 2aaa n ASP 247 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2aaa n ASP 247 Cb 0.44 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.46 2aaa n ASP 247 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2aaa s GLY 248 N 0.00 0.89 0.14 0.44 0.00 -0.99 -4.84 107.32 102.96 2aaa s GLY 248 Ca 0.00 -1.23 0.05 0.00 0.00 0.00 0.00 44.72 43.55 2aaa s GLY 248 CO 0.00 -1.01 -0.12 0.54 0.00 0.00 0.00 173.10 172.51 2aaa s VAL 249 N -4.06 1.27 0.27 1.40 0.11 -1.26 -0.75 120.40 117.37 2aaa s VAL 249 Ca 0.28 -1.89 -0.29 0.00 -2.93 0.00 0.00 61.98 57.14 2aaa s VAL 249 Cb 0.04 -1.68 -0.09 0.00 -1.53 0.00 0.00 36.38 33.11 2aaa s VAL 249 CO 0.08 -0.58 1.11 -0.76 -3.33 0.00 0.00 175.10 171.62 2aaa s LEU 250 N -2.81 4.54 -1.34 2.54 2.01 -0.62 -2.20 118.68 120.81 2aaa s LEU 250 Ca 0.13 2.27 -0.09 0.00 0.01 0.00 0.00 54.13 56.45 2aaa s LEU 250 Cb -0.01 -3.63 0.12 0.00 0.01 0.00 0.00 46.19 42.68 2aaa s LEU 250 CO 0.02 -0.16 2.11 -3.20 1.01 0.00 0.00 176.35 176.13 2aaa n ASN 251 N 1.30 5.91 -0.21 2.29 4.05 0.19 -4.67 115.26 124.13 2aaa n ASN 251 Ca -0.01 -3.05 -0.04 0.00 0.45 0.00 0.00 54.58 51.93 2aaa n ASN 251 Cb 0.45 -1.48 0.13 0.00 1.23 0.00 0.00 39.78 40.11 2aaa n ASN 251 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 177.26 176.09 2aaa h TYR 252 N 5.44 1.03 -0.18 1.20 0.05 -1.84 -1.51 116.97 121.16 2aaa h TYR 252 Ca 0.52 -0.09 0.05 0.00 0.05 0.00 0.00 58.73 59.26 2aaa h TYR 252 Cb 0.53 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 37.91 2aaa h TYR 252 CO 1.40 0.82 -0.16 -1.35 -1.05 0.00 0.00 178.16 177.83 2aaa h PRO 253 N 0.97 -0.16 -0.10 4.88 0.11 -1.76 -2.58 132.00 133.36 2aaa h PRO 253 Ca 0.22 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 2aaa h PRO 253 Cb 0.27 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2aaa h PRO 253 CO -0.01 -0.11 -0.36 0.82 -0.21 0.00 0.00 178.00 178.13 2aaa h ILE 254 N -0.17 1.28 -0.21 4.15 1.08 -1.88 -3.30 117.51 118.47 2aaa h ILE 254 Ca 0.11 -1.36 0.05 0.00 -0.39 0.00 0.00 64.86 63.27 2aaa h ILE 254 Cb 0.33 1.61 -0.07 0.00 -3.07 0.00 0.00 36.82 35.62 2aaa h ILE 254 CO -0.28 0.41 -0.45 0.22 -0.69 0.00 0.00 178.15 177.35 2aaa h TYR 255 N 0.17 -1.31 -0.15 1.37 3.20 -0.85 -1.21 116.97 118.18 2aaa h TYR 255 Ca 0.02 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.96 2aaa h TYR 255 Cb 0.72 0.60 -0.02 0.00 1.54 0.00 0.00 36.73 39.57 2aaa h TYR 255 CO 0.01 -0.48 0.03 -1.49 -1.64 0.00 0.00 178.16 174.59 2aaa h TRP 256 N -0.47 0.06 -0.38 -3.82 4.06 -1.62 -0.33 115.95 113.44 2aaa h TRP 256 Ca 0.08 0.01 -0.13 0.00 2.06 0.00 0.00 58.89 60.91 2aaa h TRP 256 Cb 0.63 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.77 2aaa h TRP 256 CO -0.55 0.02 -0.28 1.96 -3.56 0.00 0.00 178.44 176.03 2aaa h GLN 257 N 0.10 0.81 -0.18 0.49 1.08 -1.63 -2.76 115.11 113.01 2aaa h GLN 257 Ca 0.07 -0.36 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 2aaa h GLN 257 Cb 0.06 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2aaa h GLN 257 CO -0.09 0.99 0.08 1.25 -0.95 0.00 0.00 178.83 180.11 2aaa h LEU 258 N 0.69 0.24 0.01 1.46 5.85 -1.13 -1.93 115.31 120.50 2aaa h LEU 258 Ca 0.08 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.69 2aaa h LEU 258 Cb 0.82 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 2aaa h LEU 258 CO 0.07 0.32 -0.23 0.25 -0.34 0.00 0.00 178.44 178.51 2aaa h LEU 259 N 0.15 -0.67 -0.77 2.25 5.85 -0.97 -2.64 115.31 118.50 2aaa h LEU 259 Ca 0.06 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 2aaa h LEU 259 Cb 0.15 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2aaa h LEU 259 CO -0.01 -0.30 -0.35 1.88 -0.34 0.00 0.00 178.44 179.32 2aaa h TYR 260 N -0.37 0.60 -0.64 1.25 0.05 -1.48 -1.77 116.97 114.61 2aaa h TYR 260 Ca 0.06 -0.16 0.05 0.00 0.05 0.00 0.00 58.73 58.73 2aaa h TYR 260 Cb 0.44 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 2aaa h TYR 260 CO -0.26 0.80 0.43 0.00 -1.05 0.00 0.00 178.16 178.08 2aaa h ALA 261 N 1.18 1.72 -0.02 3.88 0.00 -1.20 -3.17 119.26 121.65 2aaa h ALA 261 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2aaa h ALA 261 Cb 0.82 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2aaa h ALA 261 CO 0.07 0.19 -0.15 1.19 0.00 0.00 0.00 179.25 180.55 2aaa n PHE 262 N -4.47 0.00 0.33 0.00 3.72 -1.01 -3.90 117.46 112.13 2aaa n PHE 262 Ca 0.09 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.62 2aaa n PHE 262 Cb 0.19 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 39.06 2aaa n PHE 262 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2aaa h GLU 263 N 3.07 0.00 -3.28 -1.08 4.11 -1.29 -3.46 114.58 112.65 2aaa h GLU 263 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2aaa h GLU 263 Cb 0.73 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.84 2aaa h GLU 263 CO 0.00 0.00 -0.05 -1.54 0.07 0.00 0.00 179.01 177.49 2aaa s SER 264 N -5.62 -0.27 0.65 3.06 1.04 -1.26 -4.67 113.70 106.62 2aaa s SER 264 Ca 0.07 -0.22 0.39 0.00 0.48 0.00 0.00 55.95 56.67 2aaa s SER 264 Cb 0.08 0.47 2.20 0.00 0.10 0.00 0.00 66.02 68.87 2aaa s SER 264 CO 0.61 -0.82 2.30 -1.28 0.98 0.00 0.00 173.24 175.03 2aaa h SER 265 N 2.46 0.00 -0.37 7.02 0.87 -1.83 0.24 113.55 121.94 2aaa h SER 265 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2aaa h SER 265 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2aaa h SER 265 CO 0.45 0.00 0.00 -1.54 -0.53 0.00 0.00 176.83 175.21 2aaa n SER 266 N -3.27 4.20 -4.78 6.23 3.41 -1.26 -4.83 113.62 113.32 2aaa n SER 266 Ca -0.03 -2.80 -0.32 0.00 -0.26 0.00 0.00 58.87 55.46 2aaa n SER 266 Cb 0.11 -0.53 0.06 0.00 -0.26 0.00 0.00 64.21 63.59 2aaa n SER 266 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2aaa s GLY 267 N -1.48 1.93 -0.55 5.00 0.00 0.83 -4.99 107.32 108.07 2aaa s GLY 267 Ca 0.43 0.38 -0.28 0.00 0.00 0.00 0.00 44.72 45.26 2aaa s GLY 267 CO 0.13 0.73 1.14 -0.45 0.00 0.00 0.00 173.10 174.64 2aaa s SER 268 N -3.01 6.47 0.14 1.64 0.15 -1.24 -4.81 113.70 113.04 2aaa s SER 268 Ca 0.64 0.12 -0.00 0.00 0.70 0.00 0.00 55.95 57.41 2aaa s SER 268 Cb -0.18 -2.53 -0.07 0.00 -1.71 0.00 0.00 66.02 61.53 2aaa s SER 268 CO 0.47 -1.39 1.33 0.40 1.20 0.00 0.00 173.24 175.25 2aaa h ILE 269 N 6.15 1.47 -0.68 6.45 1.08 -1.86 -3.19 117.51 126.93 2aaa h ILE 269 Ca -0.25 -2.62 0.06 0.00 -0.39 0.00 0.00 64.86 61.66 2aaa h ILE 269 Cb 1.06 2.50 -0.06 0.00 -3.07 0.00 0.00 36.82 37.26 2aaa h ILE 269 CO 1.16 0.77 0.38 0.28 -0.69 0.00 0.00 178.15 180.04 2aaa h SER 270 N 0.14 0.56 -0.56 1.72 0.02 -1.91 -1.29 113.55 112.23 2aaa h SER 270 Ca -0.06 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2aaa h SER 270 Cb 1.58 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 64.01 2aaa h SER 270 CO 0.15 0.36 0.36 0.78 -1.14 0.00 0.00 176.83 177.34 2aaa h ASN 271 N 0.69 0.62 0.19 3.07 2.35 -1.95 0.23 115.58 120.78 2aaa h ASN 271 Ca 0.31 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 2aaa h ASN 271 Cb 0.20 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2aaa h ASN 271 CO -0.19 0.44 -0.09 0.25 -1.65 0.00 0.00 177.43 176.20 2aaa h LEU 272 N 0.74 -0.21 -0.57 1.61 5.85 -1.48 -2.06 115.31 119.18 2aaa h LEU 272 Ca 0.21 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2aaa h LEU 272 Cb -0.06 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2aaa h LEU 272 CO -0.06 -0.02 0.37 0.22 -0.34 0.00 0.00 178.44 178.61 2aaa h TYR 273 N -0.40 0.73 -0.63 1.25 5.03 -1.02 -1.07 116.97 120.85 2aaa h TYR 273 Ca -0.03 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 2aaa h TYR 273 Cb 0.31 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.31 2aaa h TYR 273 CO -0.02 0.47 0.39 -0.91 -1.32 0.00 0.00 178.16 176.77 2aaa h ASN 274 N 0.77 0.75 -0.24 -2.11 2.35 -0.56 -2.82 115.58 113.72 2aaa h ASN 274 Ca 0.21 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 2aaa h ASN 274 Cb -0.07 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 2aaa h ASN 274 CO -0.04 0.58 0.10 -0.03 -1.65 0.00 0.00 177.43 176.39 2aaa h MET 275 N 0.86 0.43 -0.33 0.81 4.05 -0.80 -1.29 114.93 118.66 2aaa h MET 275 Ca 0.23 -0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.63 2aaa h MET 275 Cb -0.04 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 2aaa h MET 275 CO -0.04 0.38 0.10 0.82 0.23 0.00 0.00 176.91 178.39 2aaa h ILE 276 N 0.43 0.89 -0.71 1.77 2.04 -0.96 -1.46 117.51 119.49 2aaa h ILE 276 Ca 0.10 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 2aaa h ILE 276 Cb 0.13 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2aaa h ILE 276 CO -0.01 0.04 0.23 0.11 0.00 0.00 0.00 178.15 178.52 2aaa h LYS 277 N 0.23 1.11 -0.18 2.37 1.57 -1.39 -1.29 116.57 118.99 2aaa h LYS 277 Ca 0.15 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2aaa h LYS 277 Cb 0.14 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2aaa h LYS 277 CO -0.17 0.95 -0.08 0.77 -0.57 0.00 0.00 179.45 180.35 2aaa h SER 278 N 1.05 0.38 -0.57 0.86 0.02 -0.88 -1.85 113.55 112.56 2aaa h SER 278 Ca 0.23 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 2aaa h SER 278 Cb 0.30 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 2aaa h SER 278 CO -0.01 0.70 0.23 0.58 -1.14 0.00 0.00 176.83 177.19 2aaa h VAL 279 N 0.05 1.22 0.00 2.27 2.07 -1.29 -1.09 116.25 119.49 2aaa h VAL 279 Ca 0.04 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2aaa h VAL 279 Cb 0.55 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2aaa h VAL 279 CO 0.02 0.26 -0.07 0.00 0.02 0.00 0.00 177.57 177.81 2aaa h ALA 280 N 1.08 1.24 0.00 1.67 0.00 -1.18 0.58 119.26 122.65 2aaa h ALA 280 Ca 0.19 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2aaa h ALA 280 Cb 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2aaa h ALA 280 CO -0.02 0.08 -1.10 0.66 0.00 0.00 0.00 179.25 178.87 2aaa h SER 281 N 0.00 0.00 0.00 0.00 4.64 -0.79 -3.39 113.55 114.01 2aaa h SER 281 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.06 2aaa h SER 281 Cb 0.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.28 2aaa h SER 281 CO 0.01 0.42 -2.07 0.47 -0.87 0.00 0.00 176.83 174.79 2aaa n ASP 282 N -2.92 0.98 -4.79 4.97 8.00 -0.46 -4.91 116.55 117.42 2aaa n ASP 282 Ca -0.05 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.07 2aaa n ASP 282 Cb 0.75 1.03 -0.06 0.00 -0.02 0.00 0.00 41.12 42.82 2aaa n ASP 282 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aaa h SER 284 N 5.37 0.11 -1.97 0.00 4.64 -1.85 -3.40 113.55 116.45 2aaa h SER 284 Ca -0.47 -0.06 -0.38 0.00 -0.47 0.00 0.00 61.79 60.40 2aaa h SER 284 Cb 1.20 -0.03 -0.31 0.00 -0.31 0.00 0.00 62.40 62.95 2aaa h SER 284 CO 0.67 0.65 -0.70 -0.62 -0.87 0.00 0.00 176.83 175.96 2aaa s ASP 285 N -6.88 1.21 0.57 4.97 -1.08 -1.26 -4.98 116.67 109.22 2aaa s ASP 285 Ca -0.03 -1.68 0.27 0.00 -0.52 0.00 0.00 52.55 50.60 2aaa s ASP 285 Cb 0.13 0.51 1.53 0.00 -1.46 0.00 0.00 42.92 43.63 2aaa s ASP 285 CO 0.77 -0.25 2.03 -0.65 0.52 0.00 0.00 175.17 177.59 2aaa h PRO 286 N 6.96 0.00 0.00 4.34 0.11 -1.89 -2.11 132.00 139.41 2aaa h PRO 286 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2aaa h PRO 286 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2aaa h PRO 286 CO 0.20 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.24 2aaa n THR 287 N -3.96 0.87 1.04 -1.15 -2.24 -1.26 -2.89 114.28 104.69 2aaa n THR 287 Ca 0.05 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 62.17 2aaa n THR 287 Cb 0.46 -0.96 0.23 0.00 -2.10 0.00 0.00 70.33 67.97 2aaa n THR 287 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2aaa n LEU 288 N -1.45 2.62 -4.82 3.22 4.77 -0.79 -3.96 117.00 116.59 2aaa n LEU 288 Ca 0.04 -0.93 -0.33 0.00 -0.03 0.00 0.00 56.01 54.77 2aaa n LEU 288 Cb 0.16 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 2aaa n LEU 288 CO 0.14 0.46 0.67 -0.76 -1.33 0.00 0.00 177.39 176.57 2aaa s LEU 289 N -1.90 3.83 -0.38 2.23 1.43 -1.14 -4.27 118.68 118.47 2aaa s LEU 289 Ca 0.32 1.69 -0.16 0.00 -1.03 0.00 0.00 54.13 54.95 2aaa s LEU 289 Cb 0.20 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.90 2aaa s LEU 289 CO 0.31 -0.50 0.40 -0.83 0.23 0.00 0.00 176.35 175.96 2aaa s GLY 290 N -2.42 1.90 -0.01 -3.19 0.00 -0.93 -0.68 107.32 101.99 2aaa s GLY 290 Ca 0.62 -1.38 -0.18 0.00 0.00 0.00 0.00 44.72 43.77 2aaa s GLY 290 CO 0.20 1.08 0.52 -1.31 0.00 0.00 0.00 173.10 173.58 2aaa s ASN 291 N 1.77 6.89 0.08 1.64 0.02 -0.22 0.56 114.94 125.67 2aaa s ASN 291 Ca 0.12 1.06 -0.15 0.00 -1.02 0.00 0.00 52.86 52.87 2aaa s ASN 291 Cb -0.17 -2.32 0.03 0.00 0.02 0.00 0.00 41.25 38.81 2aaa s ASN 291 CO 0.13 0.17 0.34 0.72 0.02 0.00 0.00 177.10 178.48 2aaa s PHE 292 N -0.43 -0.14 0.00 2.20 -0.71 -1.26 -0.71 117.98 116.93 2aaa s PHE 292 Ca 0.28 -0.07 0.00 0.00 -1.04 0.00 0.00 56.93 56.09 2aaa s PHE 292 Cb -0.17 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.79 2aaa s PHE 292 CO 0.15 -0.59 0.19 1.51 -1.34 0.00 0.00 175.22 175.14 2aaa n ILE 293 N 0.22 0.00 -3.58 -4.49 0.13 -1.26 -4.63 119.36 105.74 2aaa n ILE 293 Ca -0.17 -0.40 -0.16 0.00 -1.10 0.00 0.00 62.75 60.92 2aaa n ILE 293 Cb 0.61 1.10 -0.06 0.00 -0.84 0.00 0.00 39.64 40.44 2aaa n ILE 293 CO 0.00 0.00 0.00 -1.83 2.80 0.00 0.00 176.55 177.52 2aaa s GLU 294 N -0.42 0.97 0.21 9.51 -1.05 -1.26 -4.40 118.70 122.26 2aaa s GLU 294 Ca 0.00 0.07 -0.04 0.00 -0.15 0.00 0.00 54.97 54.85 2aaa s GLU 294 Cb 0.00 0.45 0.02 0.00 -0.44 0.00 0.00 34.13 34.16 2aaa s GLU 294 CO 0.00 -0.30 0.35 0.27 0.95 0.00 0.00 175.26 176.52 2aaa n ASN 295 N 0.91 -1.00 0.00 0.83 0.23 -1.26 -4.42 115.26 110.55 2aaa n ASN 295 Ca -0.19 -1.99 0.15 0.00 -0.53 0.00 0.00 54.58 52.02 2aaa n ASN 295 Cb 0.57 1.74 0.82 0.00 -2.08 0.00 0.00 39.78 40.84 2aaa n ASN 295 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2aaa n HIS 296 N -0.31 0.00 0.39 -2.53 1.44 -1.26 -3.75 115.22 109.20 2aaa n HIS 296 Ca -0.02 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.73 2aaa n HIS 296 Cb 0.33 -0.13 -0.01 0.00 0.12 0.00 0.00 29.99 30.30 2aaa n HIS 296 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2aaa n ASP 297 N -1.13 0.94 -4.22 4.39 8.00 -1.26 -4.89 116.55 118.38 2aaa n ASP 297 Ca 0.19 -0.97 -0.13 0.00 0.71 0.00 0.00 54.79 54.59 2aaa n ASP 297 Cb 0.16 0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 41.77 2aaa n ASP 297 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2aaa s ASN 298 N -1.39 1.44 0.61 -2.24 0.01 -1.25 -4.76 114.94 107.37 2aaa s ASN 298 Ca 0.06 -1.05 -0.18 0.00 -0.71 0.00 0.00 52.86 50.98 2aaa s ASN 298 Cb 0.07 0.06 -0.05 0.00 0.41 0.00 0.00 41.25 41.73 2aaa s ASN 298 CO 0.25 -0.44 0.88 -2.65 -1.51 0.00 0.00 177.10 173.64 2aaa n PRO 299 N -0.16 0.78 -2.29 -0.60 -0.02 -1.24 -4.56 135.00 126.91 2aaa n PRO 299 Ca -0.10 0.31 -0.36 0.00 -2.02 0.00 0.00 63.50 61.33 2aaa n PRO 299 Cb 0.61 -2.09 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 2aaa n PRO 299 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2aaa s ARG 300 N -2.70 3.61 0.19 -0.52 3.00 -0.62 -4.82 118.95 117.10 2aaa s ARG 300 Ca 0.75 1.67 -0.11 0.00 0.00 0.00 0.00 55.73 58.04 2aaa s ARG 300 Cb -0.41 -2.23 0.22 0.00 0.00 0.00 0.00 34.95 32.53 2aaa s ARG 300 CO 0.48 -0.65 1.73 0.35 0.00 0.00 0.00 175.30 177.21 2aaa h PHE 301 N 1.68 0.28 0.00 -0.53 3.57 -1.85 -1.26 116.94 118.84 2aaa h PHE 301 Ca -0.50 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.03 2aaa h PHE 301 Cb 1.25 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2aaa h PHE 301 CO 0.53 0.05 0.00 0.00 -2.23 0.00 0.00 178.31 176.66 2aaa n ALA 302 N -2.48 1.46 0.10 2.41 0.00 -1.26 -1.31 120.51 119.43 2aaa n ALA 302 Ca 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.51 2aaa n ALA 302 Cb 0.25 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 2aaa n ALA 302 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2aaa h LYS 303 N 0.00 0.00 0.01 0.00 5.09 -1.37 -3.34 116.57 116.96 2aaa h LYS 303 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.43 2aaa h LYS 303 Cb 0.03 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.31 2aaa h LYS 303 CO 0.00 0.37 -1.82 0.66 -2.09 0.00 0.00 179.45 176.57 2aaa n TYR 304 N -3.06 0.86 -3.71 0.07 4.02 -0.43 -4.95 117.16 109.97 2aaa n TYR 304 Ca -0.02 0.31 -0.12 0.00 -0.01 0.00 0.00 57.90 58.05 2aaa n TYR 304 Cb 0.75 -1.16 -0.10 0.00 -0.02 0.00 0.00 39.34 38.82 2aaa n TYR 304 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2aaa s THR 305 N -2.58 -0.01 -0.76 -0.72 -1.32 -1.20 -5.01 115.64 104.03 2aaa s THR 305 Ca -0.06 0.03 0.17 0.00 -1.21 0.00 0.00 61.69 60.62 2aaa s THR 305 Cb 0.08 -0.64 0.77 0.00 -1.51 0.00 0.00 72.50 71.20 2aaa s THR 305 CO 0.82 0.01 1.69 -1.54 -2.21 0.00 0.00 174.62 173.40 2aaa n SER 306 N 3.41 5.22 -4.67 8.08 3.41 -1.26 -4.30 113.62 123.51 2aaa n SER 306 Ca -0.17 -2.66 -0.42 0.00 -0.26 0.00 0.00 58.87 55.36 2aaa n SER 306 Cb 0.56 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 2aaa n SER 306 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2aaa s ASP 307 N -0.86 6.85 0.39 4.04 -1.08 -1.26 -4.93 116.67 119.81 2aaa s ASP 307 Ca 0.53 2.00 0.14 0.00 -0.52 0.00 0.00 52.55 54.70 2aaa s ASP 307 Cb 0.37 -2.55 0.81 0.00 -1.46 0.00 0.00 42.92 40.09 2aaa s ASP 307 CO 0.21 -0.78 1.87 1.88 0.52 0.00 0.00 175.17 178.88 2aaa h TYR 308 N 8.35 0.00 -0.34 -5.34 -1.99 -1.99 -3.00 116.97 112.67 2aaa h TYR 308 Ca -0.34 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.26 2aaa h TYR 308 Cb 1.15 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.88 2aaa h TYR 308 CO 0.80 0.32 -0.28 0.77 -0.00 0.00 0.00 178.16 179.77 2aaa h SER 309 N 0.00 0.83 -0.28 3.88 0.02 -1.90 -1.73 113.55 114.38 2aaa h SER 309 Ca -0.00 -0.45 0.04 0.00 -0.84 0.00 0.00 61.79 60.53 2aaa h SER 309 Cb 0.58 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 2aaa h SER 309 CO 0.04 1.11 0.05 1.56 -1.14 0.00 0.00 176.83 178.45 2aaa h GLN 310 N 0.56 0.15 -0.39 3.45 1.08 -1.82 -2.45 115.11 115.69 2aaa h GLN 310 Ca 0.06 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.31 2aaa h GLN 310 Cb 0.85 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 28.20 2aaa h GLN 310 CO 0.07 0.10 0.09 0.00 -0.95 0.00 0.00 178.83 178.14 2aaa h ALA 311 N 1.21 0.42 -0.90 3.87 0.00 -1.49 -2.03 119.26 120.34 2aaa h ALA 311 Ca 0.13 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2aaa h ALA 311 Cb 0.14 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2aaa h ALA 311 CO -0.18 -0.31 0.53 0.87 0.00 0.00 0.00 179.25 180.16 2aaa h LYS 312 N 0.22 1.22 -0.62 0.00 1.57 -1.14 -2.80 116.57 115.02 2aaa h LYS 312 Ca 0.18 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 2aaa h LYS 312 Cb 0.21 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2aaa h LYS 312 CO -0.23 0.86 0.02 -0.91 -0.57 0.00 0.00 179.45 178.63 2aaa h ASN 313 N 1.24 1.06 0.19 0.86 2.35 -1.24 0.50 115.58 120.53 2aaa h ASN 313 Ca 0.32 -0.30 -0.20 0.00 -0.55 0.00 0.00 56.30 55.58 2aaa h ASN 313 Cb -0.04 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.05 2aaa h ASN 313 CO -0.06 1.09 -0.78 -0.37 -1.65 0.00 0.00 177.43 175.67 2aaa h VAL 314 N 0.99 1.36 0.00 2.81 -1.51 -1.18 -2.73 116.25 115.99 2aaa h VAL 314 Ca 0.18 -2.16 -0.00 0.00 -1.23 0.00 0.00 66.70 63.49 2aaa h VAL 314 Cb 0.54 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 2aaa h VAL 314 CO 0.03 0.65 -0.00 -0.07 -1.23 0.00 0.00 177.57 176.95 2aaa h LEU 315 N 0.32 -0.00 -0.88 4.19 3.38 -1.40 -2.13 115.31 118.79 2aaa h LEU 315 Ca -0.04 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.85 2aaa h LEU 315 Cb 1.37 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.05 2aaa h LEU 315 CO 0.14 0.16 0.53 0.28 0.09 0.00 0.00 178.44 179.64 2aaa h SER 316 N -0.17 0.80 0.09 -0.43 0.02 -0.84 -2.76 113.55 110.27 2aaa h SER 316 Ca -0.00 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2aaa h SER 316 Cb 0.17 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2aaa h SER 316 CO 0.00 0.48 -0.11 0.22 -1.14 0.00 0.00 176.83 176.28 2aaa h TYR 317 N 0.92 -0.27 -0.43 3.45 3.20 -1.39 0.25 116.97 122.71 2aaa h TYR 317 Ca 0.41 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.26 2aaa h TYR 317 Cb 0.30 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 2aaa h TYR 317 CO -0.04 -0.17 0.17 -0.84 -1.64 0.00 0.00 178.16 175.65 2aaa h ILE 318 N -0.23 1.16 0.04 1.81 3.07 -1.10 -1.89 117.51 120.37 2aaa h ILE 318 Ca 0.01 -0.50 -0.24 0.00 1.55 0.00 0.00 64.86 65.67 2aaa h ILE 318 Cb 0.23 0.66 -0.02 0.00 -0.27 0.00 0.00 36.82 37.41 2aaa h ILE 318 CO -0.04 0.20 -1.17 -0.26 -1.05 0.00 0.00 178.15 175.82 2aaa h PHE 319 N 0.60 0.16 0.00 0.16 -1.00 -1.31 -3.34 116.94 112.21 2aaa h PHE 319 Ca 0.15 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2aaa h PHE 319 Cb 0.12 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.68 2aaa h PHE 319 CO 0.01 1.10 -0.90 1.28 -1.61 0.00 0.00 178.31 178.19 2aaa n LEU 320 N -3.37 0.58 0.00 1.54 4.32 0.86 -4.89 117.00 116.04 2aaa n LEU 320 Ca -0.05 -0.41 -0.17 0.00 -0.02 0.00 0.00 56.01 55.36 2aaa n LEU 320 Cb 0.98 0.00 0.12 0.00 -1.62 0.00 0.00 43.42 42.90 2aaa n LEU 320 CO 0.49 0.14 0.51 -1.54 -1.22 0.00 0.00 177.39 175.77 2aaa n SER 321 N -1.49 0.04 -4.75 -1.43 3.41 -0.72 -4.97 113.62 103.71 2aaa n SER 321 Ca 0.02 -1.27 -0.41 0.00 -0.26 0.00 0.00 58.87 56.95 2aaa n SER 321 Cb 0.27 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 2aaa n SER 321 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2aaa s ASP 322 N -3.80 6.98 0.00 4.04 1.01 -1.26 -4.94 116.67 118.69 2aaa s ASP 322 Ca 0.43 2.42 0.00 0.00 0.71 0.00 0.00 52.55 56.11 2aaa s ASP 322 Cb -0.01 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.30 2aaa s ASP 322 CO 0.31 -0.42 0.00 0.61 0.21 0.00 0.00 175.17 175.87 2aaa n GLY 323 N 1.70 1.48 3.56 0.21 0.00 -1.21 -4.75 105.19 106.17 2aaa n GLY 323 Ca 0.03 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 2aaa n GLY 323 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aaa s ILE 324 N -1.48 4.97 0.31 -0.61 1.01 0.15 -4.89 121.20 120.66 2aaa s ILE 324 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 2aaa s ILE 324 Cb 0.00 -4.01 -0.11 0.00 0.01 0.00 0.00 42.46 38.35 2aaa s ILE 324 CO 0.00 -0.26 1.56 -2.16 0.00 0.00 0.00 174.94 174.08 2aaa s PRO 325 N 2.50 4.13 -0.09 2.79 0.04 -1.25 -1.06 135.00 142.06 2aaa s PRO 325 Ca 0.20 2.56 -0.01 0.00 0.04 0.00 0.00 61.00 63.79 2aaa s PRO 325 Cb -0.15 -3.02 0.03 0.00 0.04 0.00 0.00 34.50 31.40 2aaa s PRO 325 CO 0.14 -0.60 -0.02 0.42 0.04 0.00 0.00 177.00 176.98 2aaa s ILE 326 N -0.26 0.58 -0.15 0.56 1.01 0.12 -1.99 121.20 121.07 2aaa s ILE 326 Ca 0.61 -0.02 -0.07 0.00 0.00 0.00 0.00 60.65 61.16 2aaa s ILE 326 Cb -0.47 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2aaa s ILE 326 CO 0.51 0.28 0.10 -0.69 0.00 0.00 0.00 174.94 175.14 2aaa s VAL 327 N 1.89 5.13 -0.33 2.92 1.01 -0.69 -4.50 120.40 125.83 2aaa s VAL 327 Ca 0.05 0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 2aaa s VAL 327 Cb -0.12 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 2aaa s VAL 327 CO -0.06 0.53 0.55 -0.47 0.00 0.00 0.00 175.10 175.65 2aaa s TYR 328 N -0.30 3.19 -0.21 5.22 5.04 -1.26 0.18 117.35 129.21 2aaa s TYR 328 Ca 0.10 0.33 -0.41 0.00 -2.44 0.00 0.00 57.07 54.65 2aaa s TYR 328 Cb -0.12 -2.93 -0.19 0.00 0.35 0.00 0.00 41.96 39.07 2aaa s TYR 328 CO 0.01 -0.50 1.24 0.00 -1.34 0.00 0.00 175.55 174.96 2aaa n ALA 329 N 5.78 -2.54 0.00 3.97 0.00 0.44 -1.19 120.51 126.97 2aaa n ALA 329 Ca -0.04 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2aaa n ALA 329 Cb 0.49 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.19 2aaa n ALA 329 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aaa n GLY 330 N 2.48 1.31 0.32 0.00 0.00 -1.26 -4.92 105.19 103.10 2aaa n GLY 330 Ca 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.26 2aaa n GLY 330 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2aaa h GLU 331 N 0.14 0.94 0.00 1.61 4.81 -1.50 -1.68 114.58 118.90 2aaa h GLU 331 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2aaa h GLU 331 Cb 0.00 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.17 2aaa h GLU 331 CO 0.00 0.62 0.00 1.05 -0.73 0.00 0.00 179.01 179.95 2aaa h GLU 332 N 0.97 0.00 -0.30 1.92 9.09 -1.89 -1.88 114.58 122.49 2aaa h GLU 332 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 2aaa h GLU 332 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 2aaa h GLU 332 CO -0.16 0.00 0.00 1.04 0.05 0.00 0.00 179.01 179.94 2aaa n GLN 333 N -2.87 2.43 -3.00 1.06 1.13 -0.74 -3.12 117.38 112.28 2aaa n GLN 333 Ca 0.01 -2.14 -0.19 0.00 -1.94 0.00 0.00 57.00 52.74 2aaa n GLN 333 Cb 0.29 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.18 2aaa n GLN 333 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2aaa n HIS 334 N 1.39 -1.80 -1.78 1.08 -0.00 -0.71 -4.95 115.22 108.46 2aaa n HIS 334 Ca 0.18 0.52 -0.41 0.00 0.46 0.00 0.00 57.72 58.47 2aaa n HIS 334 Cb 0.59 -4.03 -0.00 0.00 -0.12 0.00 0.00 29.99 26.43 2aaa n HIS 334 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2aaa n TYR 335 N -4.37 3.01 0.09 1.57 4.02 -0.71 -4.93 117.16 115.85 2aaa n TYR 335 Ca -0.07 0.42 0.02 0.00 -0.01 0.00 0.00 57.90 58.26 2aaa n TYR 335 Cb 0.59 -2.54 0.02 0.00 -0.02 0.00 0.00 39.34 37.39 2aaa n TYR 335 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2aaa n ALA 336 N 0.60 2.38 -1.56 -0.72 0.00 -1.26 -4.16 120.51 115.78 2aaa n ALA 336 Ca 0.02 -0.66 -0.50 0.00 0.00 0.00 0.00 53.44 52.29 2aaa n ALA 336 Cb 0.39 -0.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.67 2aaa n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aaa n GLY 337 N 0.10 -0.01 0.00 0.00 0.00 -1.26 -4.07 105.19 99.95 2aaa n GLY 337 Ca 0.03 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2aaa n GLY 337 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aaa n GLY 338 N 2.04 0.62 3.22 -0.02 0.00 -1.26 -1.59 105.19 108.21 2aaa n GLY 338 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2aaa n GLY 338 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aaa n LYS 339 N 0.00 0.07 -2.05 1.61 4.76 -1.26 -3.13 118.16 118.16 2aaa n LYS 339 Ca 0.00 0.03 -0.38 0.00 -2.87 0.00 0.00 58.31 55.09 2aaa n LYS 339 Cb 0.00 -1.19 0.01 0.00 -1.84 0.00 0.00 35.03 32.01 2aaa n LYS 339 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2aaa s VAL 340 N -1.98 2.65 -2.01 -0.18 1.01 -1.26 -1.15 120.40 117.47 2aaa s VAL 340 Ca 0.54 0.51 0.10 0.00 0.00 0.00 0.00 61.98 63.13 2aaa s VAL 340 Cb -0.37 -3.27 0.28 0.00 0.00 0.00 0.00 36.38 33.01 2aaa s VAL 340 CO 0.69 0.02 1.24 -0.81 0.00 0.00 0.00 175.10 176.24 2aaa n PRO 341 N -0.46 1.70 0.04 2.72 -0.04 -1.26 -4.93 135.00 132.77 2aaa n PRO 341 Ca 0.07 -1.09 0.12 0.00 -0.04 0.00 0.00 63.50 62.56 2aaa n PRO 341 Cb 0.46 -1.24 0.57 0.00 -0.04 0.00 0.00 33.50 33.25 2aaa n PRO 341 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2aaa h TYR 342 N 1.79 0.22 0.00 0.54 0.05 -1.36 -1.69 116.97 116.52 2aaa h TYR 342 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2aaa h TYR 342 Cb 0.41 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2aaa h TYR 342 CO 0.20 0.12 0.00 0.27 -1.05 0.00 0.00 178.16 177.70 2aaa n ASN 343 N -4.47 0.29 -1.64 3.88 6.94 -1.18 -4.23 115.26 114.85 2aaa n ASN 343 Ca 0.05 -1.90 -0.16 0.00 -0.02 0.00 0.00 54.58 52.55 2aaa n ASN 343 Cb 0.31 -0.15 0.08 0.00 -2.36 0.00 0.00 39.78 37.67 2aaa n ASN 343 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2aaa n ARG 344 N -0.34 2.94 -1.76 -3.83 1.74 -0.64 -4.84 116.66 109.93 2aaa n ARG 344 Ca 0.00 -3.83 -0.41 0.00 -0.77 0.00 0.00 57.85 52.83 2aaa n ARG 344 Cb 0.07 -2.09 -0.00 0.00 -1.02 0.00 0.00 32.46 29.42 2aaa n ARG 344 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2aaa n GLU 345 N -0.85 2.58 -2.11 5.56 4.71 -1.26 -4.92 120.64 124.35 2aaa n GLU 345 Ca 0.39 0.90 -0.42 0.00 -0.01 0.00 0.00 57.16 58.02 2aaa n GLU 345 Cb 0.89 -2.61 -0.03 0.00 -1.01 0.00 0.00 31.44 28.69 2aaa n GLU 345 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2aaa s ALA 346 N -1.10 3.62 0.33 0.62 0.00 -1.26 -4.92 121.76 119.05 2aaa s ALA 346 Ca 0.54 1.20 0.09 0.00 0.00 0.00 0.00 51.96 53.79 2aaa s ALA 346 Cb -0.49 -3.55 0.58 0.00 0.00 0.00 0.00 23.12 19.66 2aaa s ALA 346 CO 0.63 -0.65 1.76 1.15 0.00 0.00 0.00 175.76 178.65 2aaa h THR 347 N 4.00 1.29 0.00 0.00 2.02 -0.80 -3.13 112.91 116.29 2aaa h THR 347 Ca -0.43 -1.41 -0.01 0.00 0.77 0.00 0.00 66.41 65.33 2aaa h THR 347 Cb 1.21 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 69.30 2aaa h THR 347 CO 0.84 0.41 -0.04 4.11 0.37 0.00 0.00 175.52 181.22 2aaa h TRP 348 N 0.11 0.00 0.00 3.16 0.09 -1.74 -1.80 115.95 115.76 2aaa h TRP 348 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.99 2aaa h TRP 348 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.98 2aaa h TRP 348 CO 0.01 0.04 0.00 -0.07 0.09 0.00 0.00 178.44 178.51 2aaa h LEU 349 N 0.00 0.00 -0.86 0.11 3.38 -1.71 -2.05 115.31 114.19 2aaa h LEU 349 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aaa h LEU 349 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2aaa h LEU 349 CO 0.01 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.31 2aaa h SER 350 N 0.00 0.00 -0.05 -0.43 4.64 -1.54 -3.47 113.55 112.69 2aaa h SER 350 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2aaa h SER 350 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2aaa h SER 350 CO 0.00 0.00 -0.02 0.61 -0.87 0.00 0.00 176.83 176.55 2aaa n GLY 351 N 0.38 0.48 3.39 -0.77 0.00 -0.77 -3.56 105.19 104.34 2aaa n GLY 351 Ca 0.02 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 2aaa n GLY 351 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2aaa n TYR 352 N -2.83 -2.36 -2.18 1.61 4.01 -1.26 -4.85 117.16 109.30 2aaa n TYR 352 Ca -0.01 0.93 -0.42 0.00 -0.16 0.00 0.00 57.90 58.24 2aaa n TYR 352 Cb 0.10 -4.91 -0.03 0.00 -0.31 0.00 0.00 39.34 34.19 2aaa n TYR 352 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2aaa s ASP 353 N -3.91 5.97 0.00 7.72 2.15 -1.23 -4.80 116.67 122.57 2aaa s ASP 353 Ca 0.22 0.84 0.01 0.00 0.43 0.00 0.00 52.55 54.06 2aaa s ASP 353 Cb -0.10 -2.53 0.08 0.00 -0.30 0.00 0.00 42.92 40.07 2aaa s ASP 353 CO 0.70 -1.72 0.94 0.35 -0.17 0.00 0.00 175.17 175.26 2aaa n THR 354 N 7.19 0.00 -0.86 1.71 -2.24 -1.26 -2.89 114.28 115.93 2aaa n THR 354 Ca 0.19 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.05 2aaa n THR 354 Cb 0.48 -0.08 0.23 0.00 -2.10 0.00 0.00 70.33 68.86 2aaa n THR 354 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2aaa n SER 355 N -0.52 3.54 -4.77 3.42 3.41 -1.26 -4.69 113.62 112.75 2aaa n SER 355 Ca 0.01 -2.86 -0.40 0.00 -0.26 0.00 0.00 58.87 55.36 2aaa n SER 355 Cb 0.00 -0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 63.46 2aaa n SER 355 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aaa s ALA 356 N -2.53 3.46 0.24 7.33 0.00 -1.14 -4.92 121.76 124.19 2aaa s ALA 356 Ca 0.37 1.24 -0.13 0.00 0.00 0.00 0.00 51.96 53.45 2aaa s ALA 356 Cb 0.30 -3.47 0.31 0.00 0.00 0.00 0.00 23.12 20.25 2aaa s ALA 356 CO 0.09 -0.64 1.59 1.49 0.00 0.00 0.00 175.76 178.29 2aaa h GLU 357 N 3.29 -0.02 0.00 0.00 4.81 -1.93 -1.26 114.58 119.47 2aaa h GLU 357 Ca -0.49 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 2aaa h GLU 357 Cb 1.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2aaa h GLU 357 CO 0.65 -0.01 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.66 2aaa h LEU 358 N -0.02 0.00 -0.01 1.64 4.07 -1.92 -2.55 115.31 116.52 2aaa h LEU 358 Ca 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.32 2aaa h LEU 358 Cb 0.58 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.32 2aaa h LEU 358 CO -0.82 0.19 0.01 0.22 -1.08 0.00 0.00 178.44 176.96 2aaa h TYR 359 N 0.00 0.02 -0.21 1.13 5.03 -1.17 -2.62 116.97 119.15 2aaa h TYR 359 Ca -0.00 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 2aaa h TYR 359 Cb 1.00 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.27 2aaa h TYR 359 CO 0.00 0.06 0.10 1.15 -1.32 0.00 0.00 178.16 178.15 2aaa h THR 360 N -0.03 1.14 -0.96 1.81 2.02 -1.55 -2.61 112.91 112.74 2aaa h THR 360 Ca 0.01 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.81 2aaa h THR 360 Cb 0.05 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 2aaa h THR 360 CO -0.00 0.14 0.63 -0.25 0.37 0.00 0.00 175.52 176.41 2aaa h TRP 361 N 0.20 1.17 -0.15 3.16 2.91 -1.37 -2.13 115.95 119.74 2aaa h TRP 361 Ca 0.07 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 59.97 2aaa h TRP 361 Cb 0.13 -0.39 0.00 0.00 -0.51 0.00 0.00 29.16 28.39 2aaa h TRP 361 CO -0.02 0.67 -0.48 0.82 -1.03 0.00 0.00 178.44 178.39 2aaa h ILE 362 N 1.20 1.34 -0.75 2.65 2.04 -1.41 -1.57 117.51 121.02 2aaa h ILE 362 Ca 0.39 -1.76 0.06 0.00 1.00 0.00 0.00 64.86 64.54 2aaa h ILE 362 Cb 0.03 2.04 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 2aaa h ILE 362 CO -0.12 0.54 0.44 0.00 0.00 0.00 0.00 178.15 179.01 2aaa h ALA 363 N 0.53 1.01 -0.21 1.87 0.00 -1.27 0.76 119.26 121.96 2aaa h ALA 363 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2aaa h ALA 363 Cb 1.11 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2aaa h ALA 363 CO 0.10 0.15 -0.22 1.15 0.00 0.00 0.00 179.25 180.43 2aaa h THR 364 N 0.81 1.33 -0.73 0.00 2.02 -1.38 -2.14 112.91 112.81 2aaa h THR 364 Ca 0.33 -1.40 0.02 0.00 0.77 0.00 0.00 66.41 66.13 2aaa h THR 364 Cb 0.17 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 2aaa h THR 364 CO -0.17 0.43 0.47 0.74 0.37 0.00 0.00 175.52 177.35 2aaa h THR 365 N 0.20 1.14 -0.74 3.16 2.02 -1.00 -2.23 112.91 115.46 2aaa h THR 365 Ca 0.03 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 2aaa h THR 365 Cb 0.78 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 2aaa h THR 365 CO 0.05 0.17 0.24 0.78 0.37 0.00 0.00 175.52 177.14 2aaa h ASN 366 N 0.94 1.06 -0.45 4.18 2.35 -0.83 -1.50 115.58 121.33 2aaa h ASN 366 Ca 0.28 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2aaa h ASN 366 Cb -0.03 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.04 2aaa h ASN 366 CO -0.09 0.98 0.25 0.00 -1.65 0.00 0.00 177.43 176.92 2aaa h ALA 367 N 1.12 0.57 -0.17 -0.83 0.00 -0.81 -1.59 119.26 117.55 2aaa h ALA 367 Ca 0.24 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2aaa h ALA 367 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2aaa h ALA 367 CO -0.01 0.09 0.02 0.82 0.00 0.00 0.00 179.25 180.17 2aaa h ILE 368 N 0.59 0.90 -0.24 0.00 2.04 -1.37 -0.61 117.51 118.81 2aaa h ILE 368 Ca 0.16 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 2aaa h ILE 368 Cb 0.04 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2aaa h ILE 368 CO -0.03 0.01 0.08 -0.09 0.00 0.00 0.00 178.15 178.13 2aaa h ARG 369 N 0.08 0.37 -0.54 2.37 2.43 -1.14 -1.51 114.38 116.44 2aaa h ARG 369 Ca 0.08 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2aaa h ARG 369 Cb 0.08 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2aaa h ARG 369 CO -0.12 0.43 0.34 0.87 -1.51 0.00 0.00 179.97 179.98 2aaa h LYS 370 N 0.23 0.72 -0.34 0.20 1.57 -1.19 -2.47 116.57 115.29 2aaa h LYS 370 Ca 0.08 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 2aaa h LYS 370 Cb 0.21 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2aaa h LYS 370 CO -0.00 0.50 -0.10 1.25 -0.57 0.00 0.00 179.45 180.53 2aaa h LEU 371 N 0.74 0.67 -0.35 2.94 5.85 -0.82 -1.24 115.31 123.10 2aaa h LEU 371 Ca 0.20 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2aaa h LEU 371 Cb -0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2aaa h LEU 371 CO -0.04 0.89 0.18 0.00 -0.34 0.00 0.00 178.44 179.13 2aaa h ALA 372 N 0.81 0.45 0.04 1.25 0.00 -0.96 -1.76 119.26 119.09 2aaa h ALA 372 Ca 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2aaa h ALA 372 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2aaa h ALA 372 CO 0.04 -0.01 -0.02 0.82 0.00 0.00 0.00 179.25 180.08 2aaa h ILE 373 N 0.43 0.96 -0.79 0.00 2.04 -1.42 -2.56 117.51 116.17 2aaa h ILE 373 Ca 0.12 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 66.08 2aaa h ILE 373 Cb 0.09 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 2aaa h ILE 373 CO -0.02 0.00 0.52 0.00 0.00 0.00 0.00 178.15 178.65 2aaa h ALA 374 N 0.90 1.82 0.00 1.87 0.00 -1.10 -3.18 119.26 119.57 2aaa h ALA 374 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2aaa h ALA 374 Cb 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2aaa h ALA 374 CO 0.01 -0.00 -0.64 0.00 0.00 0.00 0.00 179.25 178.62 2aaa h ALA 375 N 1.61 0.70 -2.93 0.00 0.00 -0.94 -3.44 119.26 114.27 2aaa h ALA 375 Ca 0.37 -0.11 -0.44 0.00 0.00 0.00 0.00 54.91 54.73 2aaa h ALA 375 Cb 0.53 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.94 2aaa h ALA 375 CO -0.14 0.13 -0.73 0.34 0.00 0.00 0.00 179.25 178.85 2aaa s ASP 376 N -5.79 2.27 0.49 0.00 2.15 -1.01 -5.01 116.67 109.77 2aaa s ASP 376 Ca 0.02 -0.60 0.33 0.00 0.43 0.00 0.00 52.55 52.73 2aaa s ASP 376 Cb 0.08 -0.14 1.58 0.00 -0.30 0.00 0.00 42.92 44.14 2aaa s ASP 376 CO 0.75 -0.35 1.99 0.28 -0.17 0.00 0.00 175.17 177.66 2aaa h SER 377 N 8.40 0.00 -0.11 -0.34 0.02 -1.86 -2.60 113.55 117.06 2aaa h SER 377 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2aaa h SER 377 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2aaa h SER 377 CO 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.99 2aaa n ALA 378 N -1.97 2.46 0.47 3.77 0.00 -1.26 -4.56 120.51 119.42 2aaa n ALA 378 Ca -0.01 -0.75 -0.18 0.00 0.00 0.00 0.00 53.44 52.50 2aaa n ALA 378 Cb 0.17 -0.85 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 2aaa n ALA 378 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2aaa h TYR 379 N 4.51 -1.12 -0.36 0.00 3.20 -1.81 -1.74 116.97 119.67 2aaa h TYR 379 Ca 0.00 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.90 2aaa h TYR 379 Cb 0.97 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.59 2aaa h TYR 379 CO 0.06 -0.69 0.24 0.97 -1.64 0.00 0.00 178.16 177.10 2aaa h ILE 380 N -1.21 0.95 -0.00 1.81 6.09 -1.80 -0.23 117.51 123.12 2aaa h ILE 380 Ca -0.12 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 2aaa h ILE 380 Cb 0.92 0.68 0.00 0.00 0.47 0.00 0.00 36.82 38.90 2aaa h ILE 380 CO 0.20 0.04 -0.62 0.35 -3.07 0.00 0.00 178.15 175.06 2aaa n THR 381 N -4.48 0.00 -2.24 2.19 -2.24 -1.24 -4.89 114.28 101.38 2aaa n THR 381 Ca 0.04 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 2aaa n THR 381 Cb 0.25 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 2aaa n THR 381 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2aaa s TYR 382 N -2.91 2.83 0.22 4.78 6.14 -0.10 -4.96 117.35 123.35 2aaa s TYR 382 Ca 0.12 0.83 -0.32 0.00 0.64 0.00 0.00 57.07 58.34 2aaa s TYR 382 Cb 0.17 -3.65 -0.12 0.00 0.42 0.00 0.00 41.96 38.78 2aaa s TYR 382 CO 0.72 -2.39 1.69 0.00 0.64 0.00 0.00 175.55 176.21 2aaa n ALA 383 N 5.53 2.64 -1.74 3.97 0.00 -1.26 -4.62 120.51 125.02 2aaa n ALA 383 Ca 0.13 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.56 2aaa n ALA 383 Cb 0.44 -2.50 -0.00 0.00 0.00 0.00 0.00 19.45 17.39 2aaa n ALA 383 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2aaa n ASN 384 N 3.62 3.38 -3.98 0.00 5.15 -1.26 -4.78 115.26 117.39 2aaa n ASN 384 Ca 0.15 1.21 -0.30 0.00 -0.60 0.00 0.00 54.58 55.04 2aaa n ASN 384 Cb 0.34 -1.56 -0.16 0.00 -0.53 0.00 0.00 39.78 37.87 2aaa n ASN 384 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2aaa s ASP 385 N -0.14 3.38 -0.50 1.20 2.15 0.50 -4.97 116.67 118.30 2aaa s ASP 385 Ca 0.55 -0.89 -0.27 0.00 0.43 0.00 0.00 52.55 52.37 2aaa s ASP 385 Cb -0.52 -1.20 0.03 0.00 -0.30 0.00 0.00 42.92 40.93 2aaa s ASP 385 CO 0.62 -0.16 1.06 0.00 -0.17 0.00 0.00 175.17 176.53 2aaa s ALA 386 N 1.42 3.15 -0.50 3.66 0.00 -1.26 -1.34 121.76 126.89 2aaa s ALA 386 Ca -0.01 -0.69 0.21 0.00 0.00 0.00 0.00 51.96 51.47 2aaa s ALA 386 Cb -0.16 -3.83 -0.28 0.00 0.00 0.00 0.00 23.12 18.85 2aaa s ALA 386 CO -0.08 -2.27 0.68 1.97 0.00 0.00 0.00 175.76 176.05 2aaa n PHE 387 N 7.70 0.00 -3.90 0.00 -1.74 0.05 -4.96 117.46 114.61 2aaa n PHE 387 Ca 0.09 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.87 2aaa n PHE 387 Cb 0.49 -0.25 -0.10 0.00 1.52 0.00 0.00 39.48 41.13 2aaa n PHE 387 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 2aaa s TYR 388 N -3.24 0.11 0.07 2.97 5.04 -0.83 -4.95 117.35 116.52 2aaa s TYR 388 Ca -0.00 -0.26 -0.08 0.00 -2.44 0.00 0.00 57.07 54.29 2aaa s TYR 388 Cb 0.15 -0.09 -0.01 0.00 0.35 0.00 0.00 41.96 42.36 2aaa s TYR 388 CO 0.88 -0.27 0.15 0.95 -1.34 0.00 0.00 175.55 175.93 2aaa s THR 389 N -1.50 0.15 0.29 4.34 -4.23 -1.26 -1.81 115.64 111.62 2aaa s THR 389 Ca -0.14 -1.21 -0.03 0.00 -1.18 0.00 0.00 61.69 59.13 2aaa s THR 389 Cb -0.08 -1.26 0.01 0.00 1.34 0.00 0.00 72.50 72.52 2aaa s THR 389 CO 0.00 -0.67 0.43 -0.90 -0.54 0.00 0.00 174.62 172.95 2aaa n ASP 390 N 0.15 -1.22 0.32 3.99 5.68 -0.31 -4.97 116.55 120.19 2aaa n ASP 390 Ca -0.16 -2.49 0.20 0.00 -0.50 0.00 0.00 54.79 51.84 2aaa n ASP 390 Cb 0.61 2.21 1.10 0.00 -1.14 0.00 0.00 41.12 43.91 2aaa n ASP 390 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2aaa h SER 391 N 1.59 0.00 0.00 -1.12 0.87 -2.00 -3.09 113.55 109.80 2aaa h SER 391 Ca -0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2aaa h SER 391 Cb 0.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2aaa h SER 391 CO 0.30 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 177.19 2aaa n ASN 392 N -3.34 0.65 -4.00 6.23 3.02 -1.26 -4.69 115.26 111.87 2aaa n ASN 392 Ca -0.03 -1.19 -0.12 0.00 -0.03 0.00 0.00 54.58 53.21 2aaa n ASN 392 Cb 0.09 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.14 2aaa n ASN 392 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2aaa s THR 393 N -0.19 0.33 -0.06 3.41 2.01 -1.17 -0.66 115.64 119.31 2aaa s THR 393 Ca 0.00 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 2aaa s THR 393 Cb 0.00 -0.40 0.03 0.00 0.01 0.00 0.00 72.50 72.14 2aaa s THR 393 CO 0.00 -0.33 0.13 -0.51 -0.69 0.00 0.00 174.62 173.22 2aaa s ILE 394 N -1.14 -0.04 -0.07 1.82 2.07 -0.75 -1.17 121.20 121.93 2aaa s ILE 394 Ca -0.10 0.16 0.05 0.00 -1.41 0.00 0.00 60.65 59.35 2aaa s ILE 394 Cb -0.08 -0.22 -0.00 0.00 0.13 0.00 0.00 42.46 42.29 2aaa s ILE 394 CO -0.00 0.07 -0.22 0.00 -1.91 0.00 0.00 174.94 172.88 2aaa s ALA 395 N 1.01 1.93 0.04 1.50 0.00 -0.75 -0.46 121.76 125.04 2aaa s ALA 395 Ca -0.08 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.04 2aaa s ALA 395 Cb -0.10 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 2aaa s ALA 395 CO -0.05 0.32 -0.12 -1.64 0.00 0.00 0.00 175.76 174.27 2aaa s MET 396 N 0.08 0.81 0.00 0.00 1.00 0.14 -0.77 119.30 120.56 2aaa s MET 396 Ca -0.09 -0.75 0.07 0.00 0.00 0.00 0.00 55.69 54.92 2aaa s MET 396 Cb -0.14 -0.77 -0.02 0.00 0.00 0.00 0.00 34.83 33.89 2aaa s MET 396 CO 0.05 0.18 -0.23 0.00 0.00 0.00 0.00 175.02 175.02 2aaa s ALA 397 N -0.96 1.91 -0.20 3.03 0.00 -0.45 -1.29 121.76 123.80 2aaa s ALA 397 Ca -0.01 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 2aaa s ALA 397 Cb -0.08 -0.46 0.07 0.00 0.00 0.00 0.00 23.12 22.65 2aaa s ALA 397 CO 0.01 0.46 0.48 0.21 0.00 0.00 0.00 175.76 176.92 2aaa s LYS 398 N -0.73 0.46 0.00 0.00 2.20 -1.10 -0.37 119.74 120.20 2aaa s LYS 398 Ca 0.09 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 2aaa s LYS 398 Cb -0.09 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 2aaa s LYS 398 CO -0.00 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 2aaa n GLY 399 N 4.43 2.98 3.78 5.54 0.00 -1.26 -0.57 105.19 120.09 2aaa n GLY 399 Ca -0.21 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 2aaa n GLY 399 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2aaa n THR 400 N -1.37 2.04 -1.64 2.61 -1.04 -1.26 -4.33 114.28 109.29 2aaa n THR 400 Ca 0.00 -0.50 -0.47 0.00 -2.04 0.00 0.00 64.05 61.04 2aaa n THR 400 Cb 0.00 -1.98 -0.04 0.00 -1.82 0.00 0.00 70.33 66.49 2aaa n THR 400 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2aaa n SER 401 N 0.41 2.31 0.00 8.00 7.64 -1.26 -0.34 113.62 130.38 2aaa n SER 401 Ca 0.01 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.02 2aaa n SER 401 Cb 0.39 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2aaa n SER 401 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aaa n GLY 402 N 2.43 0.78 0.00 0.23 0.00 -1.26 -4.80 105.19 102.56 2aaa n GLY 402 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2aaa n GLY 402 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2aaa n SER 403 N 0.00 0.58 -4.42 1.61 7.64 0.53 -4.92 113.62 114.64 2aaa n SER 403 Ca 0.00 -0.18 -0.40 0.00 1.01 0.00 0.00 58.87 59.30 2aaa n SER 403 Cb 0.00 0.47 0.01 0.00 -1.01 0.00 0.00 64.21 63.69 2aaa n SER 403 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aaa n GLN 404 N -0.53 0.45 -3.49 1.43 0.00 -0.71 -4.70 117.38 109.84 2aaa n GLN 404 Ca 0.00 0.17 -0.38 0.00 0.00 0.00 0.00 57.00 56.79 2aaa n GLN 404 Cb 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 30.24 28.72 2aaa n GLN 404 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2aaa s VAL 405 N -1.61 5.10 -0.15 -0.39 1.01 0.27 -4.64 120.40 119.99 2aaa s VAL 405 Ca 0.64 0.80 -0.02 0.00 0.00 0.00 0.00 61.98 63.40 2aaa s VAL 405 Cb -0.55 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2aaa s VAL 405 CO 0.58 0.52 -0.08 -0.63 0.00 0.00 0.00 175.10 175.49 2aaa s ILE 406 N -0.61 3.44 -0.12 2.22 1.09 0.67 -2.73 121.20 125.17 2aaa s ILE 406 Ca 0.23 -0.51 0.01 0.00 -1.10 0.00 0.00 60.65 59.28 2aaa s ILE 406 Cb -0.16 -2.49 -0.01 0.00 -1.06 0.00 0.00 42.46 38.75 2aaa s ILE 406 CO 0.11 0.50 -0.17 -0.89 -0.10 0.00 0.00 174.94 174.39 2aaa s THR 407 N 0.50 2.68 -0.18 2.92 2.01 -0.41 0.18 115.64 123.34 2aaa s THR 407 Ca -0.06 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.15 2aaa s THR 407 Cb -0.15 -2.10 0.03 0.00 0.01 0.00 0.00 72.50 70.29 2aaa s THR 407 CO 0.03 0.54 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.68 2aaa s VAL 408 N 0.39 1.69 0.03 3.82 1.01 0.26 0.27 120.40 127.87 2aaa s VAL 408 Ca -0.13 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.04 2aaa s VAL 408 Cb -0.17 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2aaa s VAL 408 CO 0.06 0.33 -0.14 -0.76 0.00 0.00 0.00 175.10 174.60 2aaa s LEU 409 N 1.41 2.81 -0.02 3.92 1.02 0.39 -0.63 118.68 127.58 2aaa s LEU 409 Ca 0.02 -0.33 0.01 0.00 0.02 0.00 0.00 54.13 53.85 2aaa s LEU 409 Cb -0.14 -1.63 0.02 0.00 0.02 0.00 0.00 46.19 44.45 2aaa s LEU 409 CO -0.10 0.26 -0.02 -0.55 0.02 0.00 0.00 176.35 175.97 2aaa s SER 410 N -1.43 0.49 -0.27 2.29 0.15 -1.26 -1.82 113.70 111.86 2aaa s SER 410 Ca 0.16 -0.06 0.12 0.00 0.70 0.00 0.00 55.95 56.87 2aaa s SER 410 Cb -0.11 -0.19 0.67 0.00 -1.71 0.00 0.00 66.02 64.68 2aaa s SER 410 CO 0.06 -0.04 1.66 -0.46 1.20 0.00 0.00 173.24 175.66 2aaa n ASN 411 N 3.71 4.43 0.19 5.45 2.04 0.17 -4.63 115.26 126.63 2aaa n ASN 411 Ca -0.22 -3.20 0.03 0.00 -0.44 0.00 0.00 54.58 50.75 2aaa n ASN 411 Cb 0.53 -0.67 0.39 0.00 -2.53 0.00 0.00 39.78 37.50 2aaa n ASN 411 CO 0.00 0.00 0.00 0.11 -0.44 0.00 0.00 177.26 176.93 2aaa h LYS 412 N 2.41 0.00 0.00 -3.83 1.57 -1.84 -3.09 116.57 111.80 2aaa h LYS 412 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2aaa h LYS 412 Cb 1.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.29 2aaa h LYS 412 CO 0.53 0.33 0.00 0.41 -0.57 0.00 0.00 179.45 180.15 2aaa n GLY 413 N -0.56 -3.53 0.35 3.86 0.00 -1.26 -4.25 105.19 99.80 2aaa n GLY 413 Ca -0.02 -1.93 0.18 0.00 0.00 0.00 0.00 46.02 44.25 2aaa n GLY 413 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2aaa h SER 414 N 0.00 0.00 -0.69 1.61 0.02 -1.90 -0.38 113.55 112.21 2aaa h SER 414 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2aaa h SER 414 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2aaa h SER 414 CO 0.00 0.00 0.44 -1.28 -1.14 0.00 0.00 176.83 174.85 2aaa h SER 415 N 0.00 0.74 0.00 3.07 0.87 -1.85 -3.43 113.55 112.96 2aaa h SER 415 Ca 0.19 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2aaa h SER 415 Cb 0.77 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2aaa h SER 415 CO -0.00 0.52 0.00 0.61 -0.53 0.00 0.00 176.83 177.43 2aaa n GLY 416 N -1.29 2.09 0.00 5.77 0.00 -0.19 -4.81 105.19 106.77 2aaa n GLY 416 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2aaa n GLY 416 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2aaa n SER 417 N 2.90 0.00 -4.69 1.61 2.88 -1.26 -4.82 113.62 110.25 2aaa n SER 417 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 2aaa n SER 417 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2aaa n SER 417 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2aaa s SER 418 N 0.00 6.99 0.25 -3.46 0.01 -1.26 -4.47 113.70 111.77 2aaa s SER 418 Ca 0.00 1.91 -0.16 0.00 1.31 0.00 0.00 55.95 59.01 2aaa s SER 418 Cb 0.00 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.68 2aaa s SER 418 CO 0.00 -0.62 0.56 -0.72 0.41 0.00 0.00 173.24 172.87 2aaa s TYR 419 N 2.22 0.14 -0.07 2.43 1.13 0.13 -5.01 117.35 118.32 2aaa s TYR 419 Ca 0.58 -0.53 0.04 0.00 -1.41 0.00 0.00 57.07 55.75 2aaa s TYR 419 Cb -0.27 0.37 -0.02 0.00 -1.10 0.00 0.00 41.96 40.94 2aaa s TYR 419 CO 0.24 -1.06 -0.18 0.95 -2.51 0.00 0.00 175.55 172.99 2aaa s THR 420 N -3.97 2.74 -0.10 -3.49 -4.23 -1.26 -0.42 115.64 104.90 2aaa s THR 420 Ca 0.17 -0.82 -0.04 0.00 -1.18 0.00 0.00 61.69 59.82 2aaa s THR 420 Cb -0.02 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 2aaa s THR 420 CO 0.07 0.57 0.04 -0.22 -0.54 0.00 0.00 174.62 174.54 2aaa s LEU 421 N -0.33 3.78 -0.67 4.79 2.96 0.21 -4.89 118.68 124.53 2aaa s LEU 421 Ca 0.02 0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 54.05 2aaa s LEU 421 Cb -0.13 -1.89 0.17 0.00 0.50 0.00 0.00 46.19 44.85 2aaa s LEU 421 CO 0.02 0.36 0.55 -0.89 -1.32 0.00 0.00 176.35 175.07 2aaa s THR 422 N -0.76 4.63 -0.34 3.68 2.01 -1.26 0.17 115.64 123.77 2aaa s THR 422 Ca 0.12 -2.45 -0.29 0.00 0.31 0.00 0.00 61.69 59.39 2aaa s THR 422 Cb -0.12 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.45 2aaa s THR 422 CO 0.02 -0.91 1.30 -0.22 -0.69 0.00 0.00 174.62 174.12 2aaa s LEU 423 N 0.41 3.80 0.08 4.42 2.96 -0.74 -4.86 118.68 124.76 2aaa s LEU 423 Ca 0.14 1.06 0.02 0.00 -0.22 0.00 0.00 54.13 55.13 2aaa s LEU 423 Cb -0.18 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2aaa s LEU 423 CO -0.05 -1.16 0.16 -0.55 -1.32 0.00 0.00 176.35 173.43 2aaa s SER 424 N 2.95 5.95 0.00 3.68 0.15 -1.26 -0.89 113.70 124.27 2aaa s SER 424 Ca 0.56 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.33 2aaa s SER 424 Cb -0.15 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 2aaa s SER 424 CO 0.25 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.46 2aaa n GLY 425 N 0.25 0.48 0.27 9.45 0.00 -1.26 -4.82 105.19 109.55 2aaa n GLY 425 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 2aaa n GLY 425 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2aaa h SER 426 N 0.00 0.00 0.00 1.61 4.64 -1.84 -3.47 113.55 114.50 2aaa h SER 426 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aaa h SER 426 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2aaa h SER 426 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 2aaa n GLY 427 N -0.68 0.73 3.90 -0.77 0.00 -1.26 -5.03 105.19 102.07 2aaa n GLY 427 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2aaa n GLY 427 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aaa s TYR 428 N -2.77 3.48 0.32 1.61 2.02 -1.26 -4.76 117.35 115.98 2aaa s TYR 428 Ca 0.00 0.58 0.07 0.00 -0.37 0.00 0.00 57.07 57.34 2aaa s TYR 428 Cb 0.00 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.53 2aaa s TYR 428 CO 0.00 0.43 0.43 0.95 -1.57 0.00 0.00 175.55 175.79 2aaa s THR 429 N -1.65 4.12 -0.05 -0.71 -4.23 -1.26 -4.81 115.64 107.05 2aaa s THR 429 Ca 0.41 -1.06 -0.41 0.00 -1.18 0.00 0.00 61.69 59.45 2aaa s THR 429 Cb -0.12 -3.42 -0.20 0.00 1.34 0.00 0.00 72.50 70.10 2aaa s THR 429 CO 0.24 -0.18 1.14 -0.24 -0.54 0.00 0.00 174.62 175.04 2aaa n SER 430 N -1.57 0.19 0.00 3.99 2.88 -1.26 -1.32 113.62 116.54 2aaa n SER 430 Ca -0.01 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2aaa n SER 430 Cb 0.58 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 2aaa n SER 430 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aaa n GLY 431 N 1.80 0.96 3.76 0.46 0.00 -0.84 -4.95 105.19 106.39 2aaa n GLY 431 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2aaa n GLY 431 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aaa s THR 432 N -3.85 2.67 -0.27 2.61 2.01 -0.44 -4.74 115.64 113.64 2aaa s THR 432 Ca 0.00 0.64 -0.11 0.00 0.31 0.00 0.00 61.69 62.54 2aaa s THR 432 Cb 0.00 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2aaa s THR 432 CO 0.00 0.14 0.18 -0.54 -0.69 0.00 0.00 174.62 173.71 2aaa s LYS 433 N -1.42 3.97 0.29 4.92 -0.14 -1.26 -1.79 119.74 124.32 2aaa s LYS 433 Ca 0.52 -0.31 0.11 0.00 -1.36 0.00 0.00 55.97 54.93 2aaa s LYS 433 Cb -0.41 -3.62 -0.05 0.00 -1.68 0.00 0.00 37.83 32.07 2aaa s LYS 433 CO 0.51 -0.12 -0.15 -0.51 -0.76 0.00 0.00 175.35 174.32 2aaa s LEU 434 N 1.57 2.70 -0.06 3.17 1.43 -0.90 -0.95 118.68 125.65 2aaa s LEU 434 Ca 0.07 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.17 2aaa s LEU 434 Cb -0.15 -1.17 0.02 0.00 0.03 0.00 0.00 46.19 44.92 2aaa s LEU 434 CO 0.09 -0.02 -0.05 -0.63 0.23 0.00 0.00 176.35 175.97 2aaa s ILE 435 N -2.51 0.66 -0.42 -0.59 1.01 -0.92 -0.74 121.20 117.70 2aaa s ILE 435 Ca 0.31 -0.17 -0.27 0.00 0.00 0.00 0.00 60.65 60.53 2aaa s ILE 435 Cb -0.04 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.77 2aaa s ILE 435 CO 0.16 0.27 0.98 -0.70 0.00 0.00 0.00 174.94 175.64 2aaa s GLU 436 N 1.09 3.73 0.43 2.79 -6.30 -0.26 -2.31 118.70 117.88 2aaa s GLU 436 Ca -0.08 0.47 0.20 0.00 -2.50 0.00 0.00 54.97 53.06 2aaa s GLU 436 Cb -0.14 -3.86 0.97 0.00 0.00 0.00 0.00 34.13 31.10 2aaa s GLU 436 CO -0.01 -1.12 1.89 0.00 0.02 0.00 0.00 175.26 176.04 2aaa h ALA 437 N 8.80 1.23 0.00 6.30 0.00 -1.39 0.16 119.26 134.36 2aaa h ALA 437 Ca -0.23 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 2aaa h ALA 437 Cb 1.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2aaa h ALA 437 CO 1.03 0.34 -0.61 1.88 0.00 0.00 0.00 179.25 181.89 2aaa h TYR 438 N 0.00 0.00 -0.00 0.00 0.05 -1.92 -3.35 116.97 111.75 2aaa h TYR 438 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2aaa h TYR 438 Cb 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2aaa h TYR 438 CO 0.00 0.61 -0.08 2.41 -1.05 0.00 0.00 178.16 180.05 2aaa n THR 439 N -3.32 0.00 -2.98 -2.88 -1.04 -1.18 -5.00 114.28 97.87 2aaa n THR 439 Ca 0.01 -0.46 -0.22 0.00 -2.04 0.00 0.00 64.05 61.34 2aaa n THR 439 Cb 0.75 1.00 0.03 0.00 -1.82 0.00 0.00 70.33 70.29 2aaa n THR 439 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2aaa s THR 441 N -3.16 4.92 -0.09 0.00 2.01 -1.11 -4.85 115.64 113.37 2aaa s THR 441 Ca 0.28 1.56 -0.20 0.00 0.31 0.00 0.00 61.69 63.65 2aaa s THR 441 Cb -0.13 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2aaa s THR 441 CO 0.35 0.08 0.54 -0.44 -0.69 0.00 0.00 174.62 174.46 2aaa s SER 442 N 1.10 6.80 0.12 3.53 0.01 -1.26 -1.10 113.70 122.90 2aaa s SER 442 Ca 0.37 0.96 0.05 0.00 1.31 0.00 0.00 55.95 58.64 2aaa s SER 442 Cb -0.17 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2aaa s SER 442 CO 0.14 -0.00 -0.13 0.68 0.41 0.00 0.00 173.24 174.34 2aaa s VAL 443 N 0.49 1.26 -0.04 3.43 -7.23 0.08 -5.00 120.40 113.39 2aaa s VAL 443 Ca 0.29 -1.74 0.05 0.00 -1.81 0.00 0.00 61.98 58.78 2aaa s VAL 443 Cb -0.16 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 2aaa s VAL 443 CO 0.13 -0.47 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.37 2aaa s THR 444 N -2.29 2.61 0.37 5.32 2.01 -1.26 -2.13 115.64 120.28 2aaa s THR 444 Ca 0.09 -0.89 -0.26 0.00 0.31 0.00 0.00 61.69 60.94 2aaa s THR 444 Cb -0.04 -1.98 -0.09 0.00 0.01 0.00 0.00 72.50 70.40 2aaa s THR 444 CO 0.02 0.58 1.17 -0.69 -0.69 0.00 0.00 174.62 175.02 2aaa s VAL 445 N -0.62 3.17 1.00 3.82 1.01 -0.74 -4.62 120.40 123.42 2aaa s VAL 445 Ca 0.09 1.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.89 2aaa s VAL 445 Cb -0.11 -3.60 -0.16 0.00 0.00 0.00 0.00 36.38 32.52 2aaa s VAL 445 CO 0.00 0.14 -1.07 0.47 0.00 0.00 0.00 175.10 174.63 2aaa n ASP 446 N 0.33 -4.48 0.13 3.32 9.92 0.73 -1.98 116.55 124.52 2aaa n ASP 446 Ca 0.03 0.10 0.13 0.00 -0.53 0.00 0.00 54.79 54.51 2aaa n ASP 446 Cb 0.46 -0.67 0.35 0.00 -0.64 0.00 0.00 41.12 40.62 2aaa n ASP 446 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2aaa h SER 447 N -1.05 0.00 0.71 -2.24 4.64 -1.96 -2.05 113.55 111.59 2aaa h SER 447 Ca -0.42 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2aaa h SER 447 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2aaa h SER 447 CO 0.23 0.00 -0.55 -1.54 -0.87 0.00 0.00 176.83 174.11 2aaa n SER 448 N -2.43 0.57 0.00 4.97 3.41 -1.26 -4.84 113.62 114.05 2aaa n SER 448 Ca 0.05 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2aaa n SER 448 Cb 0.45 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 2aaa n SER 448 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aaa n GLY 449 N 1.42 0.94 3.86 5.00 0.00 -0.77 -4.98 105.19 110.65 2aaa n GLY 449 Ca 0.04 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2aaa n GLY 449 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aaa s ASP 450 N -2.04 6.71 -0.35 1.61 1.11 -1.26 -4.61 116.67 117.84 2aaa s ASP 450 Ca 0.00 0.95 -0.12 0.00 0.18 0.00 0.00 52.55 53.56 2aaa s ASP 450 Cb 0.00 -2.24 0.00 0.00 1.07 0.00 0.00 42.92 41.75 2aaa s ASP 450 CO 0.00 0.06 0.21 -0.63 1.18 0.00 0.00 175.17 175.99 2aaa s ILE 451 N -1.57 4.90 -0.54 0.77 1.01 -0.07 -0.19 121.20 125.50 2aaa s ILE 451 Ca 0.40 -0.49 -0.28 0.00 0.00 0.00 0.00 60.65 60.27 2aaa s ILE 451 Cb -0.13 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.77 2aaa s ILE 451 CO 0.20 -0.08 1.28 -2.16 0.00 0.00 0.00 174.94 174.18 2aaa s PRO 452 N 1.64 3.47 -0.28 2.79 0.05 -1.26 -1.79 135.00 139.63 2aaa s PRO 452 Ca 0.05 0.42 -0.11 0.00 0.05 0.00 0.00 61.00 61.41 2aaa s PRO 452 Cb -0.18 -4.04 -0.04 0.00 0.05 0.00 0.00 34.50 30.29 2aaa s PRO 452 CO 0.08 -1.72 0.18 0.08 0.05 0.00 0.00 177.00 175.67 2aaa s VAL 453 N 5.32 5.20 -0.35 -0.36 1.01 0.46 -4.89 120.40 126.79 2aaa s VAL 453 Ca 0.49 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 2aaa s VAL 453 Cb -0.09 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 2aaa s VAL 453 CO 0.27 0.23 1.47 -2.16 0.00 0.00 0.00 175.10 174.91 2aaa s PRO 454 N 1.74 3.65 -0.16 2.72 0.04 -1.26 0.64 135.00 142.37 2aaa s PRO 454 Ca 0.07 1.18 -0.06 0.00 0.04 0.00 0.00 61.00 62.23 2aaa s PRO 454 Cb -0.16 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 2aaa s PRO 454 CO 0.10 -1.46 0.04 -1.64 0.04 0.00 0.00 177.00 174.07 2aaa s MET 455 N 4.82 3.74 -0.01 4.56 -1.94 0.44 -4.97 119.30 125.93 2aaa s MET 455 Ca 0.64 -0.38 -0.11 0.00 -1.71 0.00 0.00 55.69 54.14 2aaa s MET 455 Cb -0.17 -3.09 0.01 0.00 2.01 0.00 0.00 34.83 33.59 2aaa s MET 455 CO 0.30 0.36 0.22 0.00 -0.01 0.00 0.00 175.02 175.90 2aaa s ALA 456 N 0.09 -0.55 -1.00 3.03 0.00 -1.26 -0.69 121.76 121.38 2aaa s ALA 456 Ca 0.04 0.14 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 2aaa s ALA 456 Cb -0.13 0.04 0.09 0.00 0.00 0.00 0.00 23.12 23.13 2aaa s ALA 456 CO 0.01 -0.22 0.23 0.43 0.00 0.00 0.00 175.76 176.21 2aaa n SER 457 N 1.53 -0.53 -4.33 0.00 7.64 -1.26 -0.97 113.62 115.69 2aaa n SER 457 Ca -0.21 -0.70 -0.37 0.00 1.01 0.00 0.00 58.87 58.59 2aaa n SER 457 Cb 0.56 -0.89 -0.05 0.00 -1.01 0.00 0.00 64.21 62.81 2aaa n SER 457 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aaa n GLY 458 N -1.15 -0.38 3.89 0.23 0.00 -0.98 -4.04 105.19 102.77 2aaa n GLY 458 Ca -0.01 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2aaa n GLY 458 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aaa s LEU 459 N -7.25 4.26 0.76 0.99 1.02 -0.15 -4.50 118.68 113.82 2aaa s LEU 459 Ca 0.64 0.64 -0.15 0.00 0.02 0.00 0.00 54.13 55.28 2aaa s LEU 459 Cb -0.36 -3.33 0.06 0.00 0.02 0.00 0.00 46.19 42.57 2aaa s LEU 459 CO 0.97 0.04 1.23 -2.84 0.02 0.00 0.00 176.35 175.77 2aaa s PRO 460 N -2.63 1.89 -0.02 1.29 0.02 -1.26 -4.71 135.00 129.57 2aaa s PRO 460 Ca 0.41 1.84 0.03 0.00 0.02 0.00 0.00 61.00 63.30 2aaa s PRO 460 Cb -0.12 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.61 2aaa s PRO 460 CO 0.24 -2.05 -0.10 1.03 -0.33 0.00 0.00 177.00 175.79 2aaa s ARG 461 N -3.93 1.00 -0.07 5.54 1.81 0.20 -4.94 118.95 118.55 2aaa s ARG 461 Ca 0.76 -0.33 0.01 0.00 -1.72 0.00 0.00 55.73 54.44 2aaa s ARG 461 Cb -0.31 -0.93 0.02 0.00 -0.45 0.00 0.00 34.95 33.28 2aaa s ARG 461 CO 0.47 0.13 -0.08 0.08 -0.68 0.00 0.00 175.30 175.23 2aaa s VAL 462 N 0.13 0.88 -0.02 3.52 1.01 -1.26 -0.58 120.40 124.09 2aaa s VAL 462 Ca -0.02 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.76 2aaa s VAL 462 Cb -0.08 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2aaa s VAL 462 CO 0.00 0.32 -0.26 -0.76 0.00 0.00 0.00 175.10 174.40 2aaa s LEU 463 N 1.13 2.06 0.14 3.92 1.02 0.13 -0.98 118.68 126.10 2aaa s LEU 463 Ca -0.07 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 53.64 2aaa s LEU 463 Cb -0.14 -1.34 -0.04 0.00 0.02 0.00 0.00 46.19 44.68 2aaa s LEU 463 CO -0.01 0.32 -0.06 -0.76 0.02 0.00 0.00 176.35 175.86 2aaa s LEU 464 N -0.62 2.40 0.34 1.79 2.01 -0.98 -0.23 118.68 123.39 2aaa s LEU 464 Ca 0.10 -1.06 -0.27 0.00 0.01 0.00 0.00 54.13 52.91 2aaa s LEU 464 Cb -0.10 -0.17 -0.13 0.00 0.01 0.00 0.00 46.19 45.81 2aaa s LEU 464 CO -0.01 -0.45 1.09 -2.65 1.01 0.00 0.00 176.35 175.34 2aaa n PRO 465 N -0.16 1.58 0.01 1.29 -0.02 -1.26 -2.17 135.00 134.27 2aaa n PRO 465 Ca -0.10 0.56 0.06 0.00 -2.02 0.00 0.00 63.50 62.00 2aaa n PRO 465 Cb 0.61 -2.04 0.46 0.00 -0.02 0.00 0.00 33.50 32.51 2aaa n PRO 465 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aaa h ALA 466 N 2.04 1.79 -0.83 3.55 0.00 -1.32 -1.40 119.26 123.09 2aaa h ALA 466 Ca -0.43 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.59 2aaa h ALA 466 Cb 1.32 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 2aaa h ALA 466 CO 0.60 0.18 0.44 1.03 0.00 0.00 0.00 179.25 181.50 2aaa h SER 467 N 0.48 0.56 -0.03 0.00 0.87 -1.87 0.38 113.55 113.95 2aaa h SER 467 Ca 0.16 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 2aaa h SER 467 Cb 0.04 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2aaa h SER 467 CO -0.04 0.27 -0.35 0.58 -0.53 0.00 0.00 176.83 176.76 2aaa h VAL 468 N 0.67 1.47 -0.28 2.23 2.07 -1.61 -2.95 116.25 117.85 2aaa h VAL 468 Ca 0.43 -1.88 -0.10 0.00 0.82 0.00 0.00 66.70 65.98 2aaa h VAL 468 Cb 0.54 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 2aaa h VAL 468 CO -0.32 0.53 -0.26 0.58 0.02 0.00 0.00 177.57 178.12 2aaa h VAL 469 N -0.27 1.27 0.00 2.57 2.07 -1.15 -0.17 116.25 120.57 2aaa h VAL 469 Ca -0.04 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 2aaa h VAL 469 Cb 1.05 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2aaa h VAL 469 CO 0.07 0.42 -0.01 0.44 0.02 0.00 0.00 177.57 178.51 2aaa h ASP 470 N 0.48 0.00 0.38 0.57 5.19 -0.32 -2.27 116.42 120.44 2aaa h ASP 470 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2aaa h ASP 470 Cb 0.70 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.21 2aaa h ASP 470 CO 0.05 0.01 -0.25 -1.54 -3.12 0.00 0.00 179.24 174.39 2aaa n SER 471 N -3.70 0.68 0.00 6.45 3.41 -0.08 -4.91 113.62 115.47 2aaa n SER 471 Ca -0.03 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2aaa n SER 471 Cb 0.09 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2aaa n SER 471 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2aaa n SER 472 N -0.97 0.36 -2.37 4.04 3.41 -0.85 -5.07 113.62 112.17 2aaa n SER 472 Ca 0.11 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.73 2aaa n SER 472 Cb 0.32 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.32 2aaa n SER 472 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2aaa n SER 473 N 0.00 0.98 -0.06 4.04 2.88 -1.26 -4.67 113.62 115.53 2aaa n SER 473 Ca 0.00 -2.03 -0.08 0.00 -1.33 0.00 0.00 58.87 55.42 2aaa n SER 473 Cb 0.00 -0.27 0.08 0.00 -0.75 0.00 0.00 64.21 63.26 2aaa n SER 473 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2aaa h LEU 474 N 1.88 0.76 -4.88 2.46 -0.00 -1.97 -3.27 115.31 110.29 2aaa h LEU 474 Ca -0.22 -0.30 -0.60 0.00 -0.00 0.00 0.00 57.88 56.76 2aaa h LEU 474 Cb 1.45 -0.21 -0.41 0.00 -0.00 0.00 0.00 40.66 41.49 2aaa h LEU 474 CO 0.10 1.01 -0.59 0.00 -0.00 0.00 0.00 178.44 178.95