#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h h TYR 4 N 0.00 -0.74 -0.80 4.78 3.20 -2.06 -1.43 116.97 119.93 3h1h h TYR 4 Ca 0.00 0.04 0.15 0.00 3.14 0.00 0.00 58.73 62.06 3h1h h TYR 4 Cb 0.00 0.37 -0.15 0.00 1.54 0.00 0.00 36.73 38.49 3h1h h TYR 4 CO 0.00 -0.35 -0.28 0.00 -1.64 0.00 0.00 178.16 175.89 3h1h h ALA 5 N 0.74 0.29 0.16 1.82 0.00 -2.05 -2.24 119.26 118.00 3h1h h ALA 5 Ca 0.14 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3h1h h ALA 5 Cb 0.49 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3h1h h ALA 5 CO -0.42 -0.53 -0.08 1.96 0.00 0.00 0.00 179.25 180.18 3h1h h GLN 6 N -0.05 -0.21 -0.78 0.00 4.20 -1.85 -2.80 115.11 113.62 3h1h h GLN 6 Ca 0.34 0.01 0.23 0.00 0.06 0.00 0.00 58.65 59.29 3h1h h GLN 6 Cb 0.59 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 3h1h h GLN 6 CO -0.83 0.13 0.85 1.79 -0.67 0.00 0.00 178.83 180.10 3h1h h THR 7 N -0.59 0.19 0.01 -0.54 1.35 -0.72 0.25 112.91 112.87 3h1h h THR 7 Ca -0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.84 3h1h h THR 7 Cb 0.44 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 3h1h h THR 7 CO 0.04 0.00 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.23 3h1h h LEU 8 N 0.00 -0.01 -1.32 3.87 3.38 -1.18 -3.29 115.31 116.76 3h1h h LEU 8 Ca 0.37 -0.81 0.08 0.00 0.09 0.00 0.00 57.88 57.62 3h1h h LEU 8 Cb 2.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.76 3h1h h LEU 8 CO -0.00 0.84 0.52 1.56 0.09 0.00 0.00 178.44 181.45 3h1h h GLN 9 N -0.91 0.76 0.00 1.13 4.20 -0.36 -1.46 115.11 118.47 3h1h h GLN 9 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3h1h h GLN 9 Cb 0.82 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3h1h h GLN 9 CO 0.00 0.51 0.00 0.09 -0.67 0.00 0.00 178.83 178.76 3h1h n ASN 10 N -4.50 0.00 -4.66 1.46 4.13 -0.23 -4.77 115.26 106.69 3h1h n ASN 10 Ca 0.13 -1.30 -0.43 0.00 1.68 0.00 0.00 54.58 54.66 3h1h n ASN 10 Cb 0.28 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.50 3h1h n ASN 10 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3h1h s ILE 11 N -2.00 4.62 0.73 2.41 1.01 -0.55 -4.98 121.20 122.44 3h1h s ILE 11 Ca 0.18 1.94 -0.16 0.00 0.00 0.00 0.00 60.65 62.61 3h1h s ILE 11 Cb 0.08 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.24 3h1h s ILE 11 CO 0.14 -0.15 0.31 -0.81 0.00 0.00 0.00 174.94 174.43 3h1h n PRO 12 N 6.17 0.20 -1.82 2.79 -0.04 -1.26 -4.96 135.00 136.09 3h1h n PRO 12 Ca 0.12 0.10 -0.30 0.00 -0.04 0.00 0.00 63.50 63.37 3h1h n PRO 12 Cb 0.46 -1.64 0.04 0.00 -0.04 0.00 0.00 33.50 32.32 3h1h n PRO 12 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3h1h s GLU 13 N -2.51 3.03 -0.35 0.54 2.12 -1.26 -4.97 118.70 115.30 3h1h s GLU 13 Ca 0.61 0.62 -0.11 0.00 0.36 0.00 0.00 54.97 56.45 3h1h s GLU 13 Cb -0.34 -2.03 0.01 0.00 0.26 0.00 0.00 34.13 32.02 3h1h s GLU 13 CO 0.62 -0.95 0.21 0.99 -0.54 0.00 0.00 175.26 175.59 3h1h s THR 14 N -3.25 4.83 0.05 -1.70 2.01 -1.26 -4.56 115.64 111.75 3h1h s THR 14 Ca 0.57 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 3h1h s THR 14 Cb -0.12 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 3h1h s THR 14 CO 0.53 -0.10 1.01 0.20 -0.69 0.00 0.00 174.62 175.57 3h1h s ASN 15 N 1.63 7.36 -0.10 3.53 0.01 -0.82 -4.85 114.94 121.69 3h1h s ASN 15 Ca 0.04 1.77 -0.01 0.00 -0.71 0.00 0.00 52.86 53.95 3h1h s ASN 15 Cb -0.18 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 38.93 3h1h s ASN 15 CO 0.08 -0.23 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.72 3h1h s VAL 16 N 0.66 0.66 0.01 1.60 1.01 -1.26 -2.23 120.40 120.85 3h1h s VAL 16 Ca 0.51 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.38 3h1h s VAL 16 Cb -0.23 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 3h1h s VAL 16 CO 0.29 0.24 -0.09 0.42 0.00 0.00 0.00 175.10 175.96 3h1h s THR 17 N 1.85 0.69 -0.18 3.92 -4.23 -0.73 -4.99 115.64 111.97 3h1h s THR 17 Ca 0.04 -0.55 -0.07 0.00 -1.18 0.00 0.00 61.69 59.92 3h1h s THR 17 Cb -0.13 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.06 3h1h s THR 17 CO -0.07 0.06 0.06 -0.89 -0.54 0.00 0.00 174.62 173.25 3h1h s THR 18 N -0.47 4.75 0.40 3.99 2.01 -1.26 -1.03 115.64 124.03 3h1h s THR 18 Ca 0.01 -0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.73 3h1h s THR 18 Cb -0.05 -3.14 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 3h1h s THR 18 CO 0.00 0.46 1.02 -0.76 -0.69 0.00 0.00 174.62 174.65 3h1h s LEU 19 N 0.36 4.12 0.66 4.42 1.43 -0.07 -4.89 118.68 124.71 3h1h s LEU 19 Ca 0.03 1.95 0.19 0.00 -1.03 0.00 0.00 54.13 55.26 3h1h s LEU 19 Cb -0.12 -4.24 1.02 0.00 0.03 0.00 0.00 46.19 42.87 3h1h s LEU 19 CO 0.00 -0.43 1.57 0.44 0.23 0.00 0.00 176.35 178.16 3h1h h ASP 20 N 2.43 0.00 0.17 2.29 3.32 -1.97 0.50 116.42 123.16 3h1h h ASP 20 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3h1h h ASP 20 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3h1h h ASP 20 CO 0.62 0.00 -0.22 -0.46 -1.72 0.00 0.00 179.24 177.46 3h1h n ASN 21 N -2.73 1.22 0.00 6.45 6.94 -1.26 -4.87 115.26 121.00 3h1h n ASN 21 Ca -0.01 -1.06 0.00 0.00 -0.02 0.00 0.00 54.58 53.48 3h1h n ASN 21 Cb 0.61 0.13 0.00 0.00 -2.36 0.00 0.00 39.78 38.16 3h1h n ASN 21 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3h1h n GLY 22 N 1.32 2.79 3.78 4.83 0.00 0.17 -4.37 105.19 113.70 3h1h n GLY 22 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3h1h n GLY 22 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h1h s LEU 23 N 0.00 4.08 -0.15 0.99 0.20 -1.14 -3.71 118.68 118.95 3h1h s LEU 23 Ca 0.00 2.19 -0.02 0.00 0.69 0.00 0.00 54.13 56.99 3h1h s LEU 23 Cb 0.00 -4.20 -0.02 0.00 -0.43 0.00 0.00 46.19 41.55 3h1h s LEU 23 CO 0.00 -0.70 -0.10 -0.13 -0.29 0.00 0.00 176.35 175.13 3h1h s ARG 24 N -2.57 3.44 -0.19 1.98 0.52 -1.19 -0.90 118.95 120.04 3h1h s ARG 24 Ca 0.60 -0.64 -0.04 0.00 -0.52 0.00 0.00 55.73 55.13 3h1h s ARG 24 Cb -0.26 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 3h1h s ARG 24 CO 0.32 0.14 -0.02 0.08 0.02 0.00 0.00 175.30 175.83 3h1h s VAL 25 N 0.57 3.77 0.07 3.52 1.01 -0.20 -1.18 120.40 127.96 3h1h s VAL 25 Ca -0.06 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3h1h s VAL 25 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 3h1h s VAL 25 CO 0.03 0.44 -0.08 0.00 0.00 0.00 0.00 175.10 175.50 3h1h s ALA 26 N 0.94 0.77 -0.16 5.51 0.00 0.18 -1.77 121.76 127.23 3h1h s ALA 26 Ca 0.01 -1.00 -0.31 0.00 0.00 0.00 0.00 51.96 50.65 3h1h s ALA 26 Cb -0.14 0.07 0.14 0.00 0.00 0.00 0.00 23.12 23.19 3h1h s ALA 26 CO 0.01 -0.08 1.10 -1.54 0.00 0.00 0.00 175.76 175.25 3h1h s SER 27 N -2.13 -0.24 -0.19 0.00 1.04 -0.95 -1.24 113.70 109.99 3h1h s SER 27 Ca -0.01 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.56 3h1h s SER 27 Cb -0.04 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.33 3h1h s SER 27 CO -0.01 -0.31 -0.15 -0.70 0.98 0.00 0.00 173.24 173.05 3h1h s GLU 28 N -1.90 2.47 -0.12 4.02 2.12 -0.63 -1.95 118.70 122.70 3h1h s GLU 28 Ca 0.05 -0.85 -0.21 0.00 0.36 0.00 0.00 54.97 54.32 3h1h s GLU 28 Cb -0.01 -2.47 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 3h1h s GLU 28 CO -0.04 -0.33 0.59 -2.00 -0.54 0.00 0.00 175.26 172.94 3h1h s GLU 29 N 1.33 4.34 0.47 4.30 2.12 -1.26 -2.23 118.70 127.78 3h1h s GLU 29 Ca 0.01 0.63 0.02 0.00 0.36 0.00 0.00 54.97 55.99 3h1h s GLU 29 Cb -0.15 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.75 3h1h s GLU 29 CO -0.10 0.02 0.06 -1.54 -0.54 0.00 0.00 175.26 173.16 3h1h s SER 30 N 0.84 3.61 -0.14 -1.70 1.04 0.38 -4.86 113.70 112.86 3h1h s SER 30 Ca 0.30 -1.68 0.04 0.00 0.48 0.00 0.00 55.95 55.09 3h1h s SER 30 Cb -0.16 0.56 0.30 0.00 0.10 0.00 0.00 66.02 66.82 3h1h s SER 30 CO 0.13 -0.91 1.19 -0.24 0.98 0.00 0.00 173.24 174.40 3h1h n SER 31 N -1.32 3.13 -4.71 7.02 2.88 -1.26 -3.86 113.62 115.49 3h1h n SER 31 Ca -0.14 -2.52 -0.39 0.00 -1.33 0.00 0.00 58.87 54.49 3h1h n SER 31 Cb 0.66 -0.61 -0.06 0.00 -0.75 0.00 0.00 64.21 63.46 3h1h n SER 31 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3h1h s GLN 32 N -1.53 4.35 0.55 -1.46 -0.21 -1.26 -4.91 119.66 115.20 3h1h s GLN 32 Ca 0.23 0.57 0.30 0.00 0.02 0.00 0.00 55.36 56.48 3h1h s GLN 32 Cb 0.18 -3.45 1.60 0.00 1.00 0.00 0.00 33.01 32.34 3h1h s GLN 32 CO 0.05 0.10 2.13 -1.00 -2.12 0.00 0.00 175.29 174.45 3h1h h PRO 33 N 6.80 0.00 -6.07 2.91 0.13 -1.93 0.37 132.00 134.21 3h1h h PRO 33 Ca -0.40 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.20 3h1h h PRO 33 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 3h1h h PRO 33 CO 0.76 0.08 -0.47 -0.08 -0.23 0.00 0.00 178.00 178.06 3h1h s THR 34 N -4.23 2.74 0.34 1.56 -1.32 -1.26 -0.32 115.64 113.16 3h1h s THR 34 Ca -0.03 -1.56 -0.16 0.00 -1.21 0.00 0.00 61.69 58.73 3h1h s THR 34 Cb 0.13 -3.01 0.06 0.00 -1.51 0.00 0.00 72.50 68.17 3h1h s THR 34 CO 0.56 -0.07 0.81 0.00 -2.21 0.00 0.00 174.62 173.71 3h1h s THR 36 N -2.12 -0.21 0.07 0.00 2.01 -0.39 -1.67 115.64 113.33 3h1h s THR 36 Ca 0.17 0.35 0.06 0.00 0.31 0.00 0.00 61.69 62.57 3h1h s THR 36 Cb -0.04 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 3h1h s THR 36 CO 0.10 0.15 -0.15 0.68 -0.69 0.00 0.00 174.62 174.71 3h1h s VAL 37 N 2.14 1.21 -0.05 3.82 -7.23 -0.21 -0.98 120.40 119.10 3h1h s VAL 37 Ca 0.02 -1.28 -0.31 0.00 -1.81 0.00 0.00 61.98 58.60 3h1h s VAL 37 Cb -0.12 -1.13 0.12 0.00 0.56 0.00 0.00 36.38 35.81 3h1h s VAL 37 CO -0.05 -0.15 1.23 -0.83 -0.31 0.00 0.00 175.10 174.98 3h1h s GLY 38 N -1.64 -0.37 -0.19 2.32 0.00 0.35 0.02 107.32 107.81 3h1h s GLY 38 Ca -0.00 0.91 -0.05 0.00 0.00 0.00 0.00 44.72 45.57 3h1h s GLY 38 CO 0.02 0.23 0.00 0.54 0.00 0.00 0.00 173.10 173.90 3h1h s VAL 39 N -2.52 4.04 -0.23 1.40 0.11 -0.47 -0.24 120.40 122.48 3h1h s VAL 39 Ca 0.12 -0.29 -0.07 0.00 -2.93 0.00 0.00 61.98 58.81 3h1h s VAL 39 Cb 0.03 -2.82 -0.03 0.00 -1.53 0.00 0.00 36.38 32.02 3h1h s VAL 39 CO -0.04 0.44 0.07 0.26 -3.33 0.00 0.00 175.10 172.49 3h1h s TRP 40 N 0.88 3.11 0.01 1.54 0.51 0.15 -2.03 118.94 123.12 3h1h s TRP 40 Ca 0.01 -0.30 0.02 0.00 -2.12 0.00 0.00 56.10 53.71 3h1h s TRP 40 Cb -0.14 -2.19 -0.04 0.00 -0.81 0.00 0.00 33.47 30.29 3h1h s TRP 40 CO 0.02 -0.23 0.01 0.42 -0.51 0.00 0.00 176.95 176.66 3h1h s ILE 41 N 1.30 4.20 -1.34 2.03 1.01 0.17 -1.93 121.20 126.64 3h1h s ILE 41 Ca 0.05 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 3h1h s ILE 41 Cb -0.15 -2.90 0.11 0.00 0.01 0.00 0.00 42.46 39.54 3h1h s ILE 41 CO 0.03 0.33 2.29 0.61 0.00 0.00 0.00 174.94 178.21 3h1h n GLY 42 N 1.24 5.01 3.20 6.18 0.00 -0.68 -1.56 105.19 118.59 3h1h n GLY 42 Ca -0.14 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 3h1h n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1h s ALA 43 N -0.40 1.13 0.00 4.61 0.00 -1.26 -4.94 121.76 120.90 3h1h s ALA 43 Ca 0.51 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3h1h s ALA 43 Cb 0.16 1.35 0.00 0.00 0.00 0.00 0.00 23.12 24.63 3h1h s ALA 43 CO -0.06 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.52 3h1h n GLY 44 N -0.26 -0.17 0.44 0.00 0.00 -1.26 -1.49 105.19 102.45 3h1h n GLY 44 Ca 0.01 -1.39 0.26 0.00 0.00 0.00 0.00 46.02 44.91 3h1h n GLY 44 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h1h h SER 45 N 0.00 0.29 -0.75 1.61 4.64 -1.47 0.31 113.55 118.19 3h1h h SER 45 Ca 0.00 0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.39 3h1h h SER 45 Cb 0.00 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 3h1h h SER 45 CO 0.00 0.06 0.48 -0.09 -0.87 0.00 0.00 176.83 176.41 3h1h h ARG 46 N 0.26 0.93 0.00 4.77 2.43 -0.95 0.38 114.38 122.19 3h1h h ARG 46 Ca 0.57 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 3h1h h ARG 46 Cb 1.71 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 3h1h h ARG 46 CO -0.19 0.62 0.00 0.66 -1.51 0.00 0.00 179.97 179.54 3h1h n TYR 47 N -4.60 0.12 -1.18 2.20 4.02 0.11 -4.75 117.16 113.08 3h1h n TYR 47 Ca 0.08 0.05 -0.10 0.00 -0.01 0.00 0.00 57.90 57.92 3h1h n TYR 47 Cb 0.06 -0.58 0.07 0.00 -0.02 0.00 0.00 39.34 38.87 3h1h n TYR 47 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3h1h n GLU 48 N -1.61 -0.67 -3.96 -0.72 1.02 0.12 -4.98 120.64 109.83 3h1h n GLU 48 Ca 0.03 -0.65 -0.16 0.00 -0.02 0.00 0.00 57.16 56.35 3h1h n GLU 48 Cb 0.16 -0.47 -0.05 0.00 -0.02 0.00 0.00 31.44 31.06 3h1h n GLU 48 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3h1h n ASN 49 N -3.35 -0.92 -0.12 1.62 6.94 -1.26 -4.94 115.26 113.23 3h1h n ASN 49 Ca 0.05 -2.92 0.13 0.00 -0.02 0.00 0.00 54.58 51.83 3h1h n ASN 49 Cb 0.19 1.91 0.50 0.00 -2.36 0.00 0.00 39.78 40.02 3h1h n ASN 49 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3h1h h GLU 50 N 0.00 0.40 0.00 -3.83 4.81 -1.98 -0.53 114.58 113.45 3h1h h GLU 50 Ca -0.23 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 58.84 3h1h h GLU 50 Cb 1.11 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3h1h h GLU 50 CO 0.33 0.27 -1.33 1.63 -0.73 0.00 0.00 179.01 179.17 3h1h n LYS 51 N -4.47 0.62 -0.08 1.92 5.02 -1.26 -4.31 118.16 115.60 3h1h n LYS 51 Ca 0.11 0.19 0.04 0.00 -2.02 0.00 0.00 58.31 56.64 3h1h n LYS 51 Cb 0.43 -1.81 0.08 0.00 -0.02 0.00 0.00 35.03 33.71 3h1h n LYS 51 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3h1h n ASN 52 N -2.83 2.29 -4.64 4.39 6.94 -1.08 -4.94 115.26 115.39 3h1h n ASN 52 Ca -0.08 -1.78 -0.52 0.00 -0.02 0.00 0.00 54.58 52.18 3h1h n ASN 52 Cb 0.77 -0.10 -0.06 0.00 -2.36 0.00 0.00 39.78 38.03 3h1h n ASN 52 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3h1h n ASN 53 N 0.26 2.73 0.00 0.53 4.05 -0.23 -0.74 115.26 121.86 3h1h n ASN 53 Ca 0.07 0.87 0.00 0.00 0.45 0.00 0.00 54.58 55.96 3h1h n ASN 53 Cb 0.31 -1.26 0.00 0.00 1.23 0.00 0.00 39.78 40.06 3h1h n ASN 53 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3h1h n GLY 54 N 4.87 2.41 0.45 8.20 0.00 -1.26 -4.12 105.19 115.74 3h1h n GLY 54 Ca 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 3h1h n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1h h ALA 55 N 0.00 -0.90 -0.74 4.61 0.00 -1.24 0.72 119.26 121.71 3h1h h ALA 55 Ca 0.00 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.01 3h1h h ALA 55 Cb 0.00 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3h1h h ALA 55 CO 0.00 -1.06 0.86 0.78 0.00 0.00 0.00 179.25 179.82 3h1h h GLY 56 N -0.79 0.00 0.58 0.00 0.00 -1.92 0.71 103.07 101.65 3h1h h GLY 56 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.02 3h1h h GLY 56 CO -0.18 0.00 -1.55 -1.82 0.00 0.00 0.00 176.54 173.00 3h1h h TYR 57 N 0.00 0.46 -0.69 5.60 3.20 -1.40 -2.73 116.97 121.41 3h1h h TYR 57 Ca 0.35 -0.33 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3h1h h TYR 57 Cb 2.07 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 40.28 3h1h h TYR 57 CO 0.00 1.61 0.42 0.35 -1.64 0.00 0.00 178.16 178.90 3h1h h PHE 58 N -0.23 0.90 -0.33 -3.82 3.57 0.23 -0.22 116.94 117.05 3h1h h PHE 58 Ca -0.33 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.14 3h1h h PHE 58 Cb 1.82 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 3h1h h PHE 58 CO 0.11 0.60 0.09 0.28 -2.23 0.00 0.00 178.31 177.16 3h1h h VAL 59 N 0.95 1.21 -0.73 1.41 2.07 -0.04 -2.25 116.25 118.87 3h1h h VAL 59 Ca 0.25 -0.69 0.11 0.00 0.82 0.00 0.00 66.70 67.19 3h1h h VAL 59 Cb -0.04 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3h1h h VAL 59 CO -0.05 0.23 0.48 -0.08 0.02 0.00 0.00 177.57 178.18 3h1h h GLU 60 N 0.37 0.55 0.00 1.57 4.81 -0.76 0.24 114.58 121.36 3h1h h GLU 60 Ca 0.10 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3h1h h GLU 60 Cb 0.26 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3h1h h GLU 60 CO -0.00 0.36 0.00 0.45 -0.73 0.00 0.00 179.01 179.09 3h1h h HIS 61 N 0.57 0.00 0.00 0.92 3.86 -0.59 -3.23 115.15 116.68 3h1h h HIS 61 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 3h1h h HIS 61 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 3h1h h HIS 61 CO -0.00 0.00 -1.10 1.28 0.86 0.00 0.00 177.93 178.97 3h1h n LEU 62 N -2.66 0.11 -0.30 2.43 4.77 0.48 -4.57 117.00 117.26 3h1h n LEU 62 Ca 0.02 -0.14 0.34 0.00 -0.03 0.00 0.00 56.01 56.19 3h1h n LEU 62 Cb 0.28 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 42.12 3h1h n LEU 62 CO 0.24 0.03 1.32 0.00 -1.33 0.00 0.00 177.39 177.64 3h1h h ALA 63 N 0.89 3.08 0.00 -1.18 0.00 -0.70 -1.02 119.26 120.34 3h1h h ALA 63 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h1h h ALA 63 Cb 0.33 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3h1h h ALA 63 CO 0.00 -1.42 -1.89 1.19 0.00 0.00 0.00 179.25 177.13 3h1h n PHE 64 N -4.17 0.00 0.43 0.00 0.99 -1.26 -4.49 117.46 108.96 3h1h n PHE 64 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.69 3h1h n PHE 64 Cb 1.21 -0.45 0.00 0.00 -1.00 0.00 0.00 39.48 39.24 3h1h n PHE 64 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3h1h n LYS 65 N -2.18 0.43 0.00 -1.08 4.76 -0.39 -4.79 118.16 114.92 3h1h n LYS 65 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 3h1h n LYS 65 Cb 0.52 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 3h1h n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h1h n GLY 66 N 0.66 0.36 1.32 0.72 0.00 -1.26 -3.84 105.19 103.15 3h1h n GLY 66 Ca 0.00 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 3h1h n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1h n THR 67 N 0.63 0.00 -0.02 2.61 -2.24 -1.15 -1.51 114.28 112.60 3h1h n THR 67 Ca 0.00 -0.76 -0.16 0.00 -2.27 0.00 0.00 64.05 60.86 3h1h n THR 67 Cb 0.00 -0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 67.77 3h1h n THR 67 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3h1h h LYS 68 N 0.00 0.31 -0.47 -0.78 1.57 -1.70 -3.09 116.57 112.41 3h1h h LYS 68 Ca -0.12 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.33 3h1h h LYS 68 Cb 0.44 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3h1h h LYS 68 CO 0.19 1.00 0.23 -0.22 -0.57 0.00 0.00 179.45 180.07 3h1h h LYS 69 N -0.25 0.65 -2.13 3.15 3.64 -1.95 -3.39 116.57 116.29 3h1h h LYS 69 Ca -0.05 -0.07 -0.35 0.00 -1.27 0.00 0.00 60.65 58.91 3h1h h LYS 69 Cb 1.13 -0.13 -0.33 0.00 -0.41 0.00 0.00 32.23 32.49 3h1h h LYS 69 CO 0.08 0.51 -0.66 -0.98 -2.27 0.00 0.00 179.45 176.13 3h1h s ARG 70 N -5.39 0.40 1.02 1.90 1.70 -1.24 -5.11 118.95 112.22 3h1h s ARG 70 Ca -0.09 -0.35 -0.17 0.00 -0.47 0.00 0.00 55.73 54.66 3h1h s ARG 70 Cb 0.17 -0.70 0.09 0.00 -0.57 0.00 0.00 34.95 33.94 3h1h s ARG 70 CO 0.76 -1.07 -0.05 -0.35 -1.08 0.00 0.00 175.30 173.50 3h1h n PRO 71 N 5.03 -1.66 0.00 3.89 -0.04 -1.17 -2.94 135.00 138.11 3h1h n PRO 71 Ca 0.01 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 3h1h n PRO 71 Cb 0.46 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 3h1h n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1h n ALA 73 N -1.61 -0.52 0.11 0.00 0.00 -1.26 -0.95 120.51 116.27 3h1h n ALA 73 Ca 0.00 0.83 -0.12 0.00 0.00 0.00 0.00 53.44 54.15 3h1h n ALA 73 Cb 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 3h1h n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1h h ALA 74 N 0.63 -0.33 -0.11 0.00 0.00 -1.82 0.70 119.26 118.33 3h1h h ALA 74 Ca 0.18 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3h1h h ALA 74 Cb 0.42 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3h1h h ALA 74 CO -0.90 -0.72 -0.23 0.35 0.00 0.00 0.00 179.25 177.75 3h1h h PHE 75 N -0.37 -0.62 0.35 0.00 3.57 0.13 0.49 116.94 120.48 3h1h h PHE 75 Ca 0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3h1h h PHE 75 Cb 0.38 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3h1h h PHE 75 CO -0.18 -0.31 -0.30 0.93 -2.23 0.00 0.00 178.31 176.22 3h1h h GLU 76 N -0.31 -0.64 -0.93 1.11 5.08 -0.91 -2.50 114.58 115.49 3h1h h GLU 76 Ca 0.09 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.63 3h1h h GLU 76 Cb 0.44 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 3h1h h GLU 76 CO -0.28 -0.42 0.56 -0.22 -1.00 0.00 0.00 179.01 177.64 3h1h h LYS 77 N -0.66 0.82 0.00 2.33 3.64 -0.42 -1.17 116.57 121.11 3h1h h LYS 77 Ca -0.02 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 3h1h h LYS 77 Cb 0.59 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3h1h h LYS 77 CO -0.03 0.54 -0.24 1.49 -2.27 0.00 0.00 179.45 178.94 3h1h h GLU 78 N 0.84 0.00 0.00 1.90 4.81 0.32 -2.52 114.58 119.94 3h1h h GLU 78 Ca 0.48 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.63 3h1h h GLU 78 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3h1h h GLU 78 CO -0.30 0.24 -0.54 0.28 -0.73 0.00 0.00 179.01 177.96 3h1h h VAL 79 N 0.00 0.86 -0.44 0.32 2.07 -0.83 -3.35 116.25 114.87 3h1h h VAL 79 Ca -0.00 -1.82 0.08 0.00 0.82 0.00 0.00 66.70 65.78 3h1h h VAL 79 Cb 0.49 1.79 -0.10 0.00 -1.52 0.00 0.00 31.29 31.96 3h1h h VAL 79 CO 0.03 0.29 -0.34 -0.33 0.02 0.00 0.00 177.57 177.24 3h1h h GLU 80 N -1.00 -0.23 0.00 1.57 5.08 -1.34 -0.61 114.58 118.05 3h1h h GLU 80 Ca -0.12 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3h1h h GLU 80 Cb 0.85 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3h1h h GLU 80 CO -0.08 -0.15 0.18 -1.13 -1.00 0.00 0.00 179.01 176.83 3h1h n SER 81 N -5.42 0.14 -0.57 1.42 3.41 -0.95 -0.03 113.62 111.62 3h1h n SER 81 Ca 0.02 0.44 0.06 0.00 -0.26 0.00 0.00 58.87 59.12 3h1h n SER 81 Cb 0.34 -0.43 0.12 0.00 -0.26 0.00 0.00 64.21 63.98 3h1h n SER 81 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 3h1h n MET 82 N -1.61 2.08 -1.18 4.33 0.00 -0.24 -4.97 117.12 115.53 3h1h n MET 82 Ca -0.00 -1.75 -0.06 0.00 0.00 0.00 0.00 57.70 55.89 3h1h n MET 82 Cb 0.18 -1.25 -0.03 0.00 0.00 0.00 0.00 33.22 32.13 3h1h n MET 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3h1h n GLY 83 N 0.54 0.81 3.84 3.17 0.00 0.96 -4.84 105.19 109.66 3h1h n GLY 83 Ca 0.10 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 3h1h n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1h s ALA 84 N -2.04 3.35 -0.18 4.61 0.00 -1.20 -4.83 121.76 121.47 3h1h s ALA 84 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.98 3h1h s ALA 84 Cb 0.00 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 3h1h s ALA 84 CO 0.00 0.33 0.00 -1.01 0.00 0.00 0.00 175.76 175.08 3h1h s HIS 85 N -1.86 3.08 -0.25 0.00 0.09 0.13 -4.59 115.29 111.89 3h1h s HIS 85 Ca 0.51 -0.28 -0.03 0.00 -0.00 0.00 0.00 55.06 55.26 3h1h s HIS 85 Cb -0.12 -2.04 0.01 0.00 -0.00 0.00 0.00 32.58 30.43 3h1h s HIS 85 CO 0.18 -0.08 -0.02 0.12 -0.00 0.00 0.00 174.74 174.94 3h1h s PHE 86 N 0.65 3.06 0.16 1.40 2.19 -1.26 -0.64 117.98 123.55 3h1h s PHE 86 Ca -0.00 -1.27 0.02 0.00 0.33 0.00 0.00 56.93 56.01 3h1h s PHE 86 Cb -0.14 -2.12 -0.05 0.00 -1.31 0.00 0.00 43.02 39.40 3h1h s PHE 86 CO 0.02 -0.65 -0.02 1.21 1.83 0.00 0.00 175.22 177.61 3h1h s ASN 87 N 1.40 1.30 0.03 6.13 2.47 -0.54 -5.02 114.94 120.71 3h1h s ASN 87 Ca 0.02 -1.14 -0.29 0.00 0.42 0.00 0.00 52.86 51.87 3h1h s ASN 87 Cb -0.16 0.10 0.10 0.00 -1.45 0.00 0.00 41.25 39.84 3h1h s ASN 87 CO -0.02 -0.53 1.20 -0.83 -3.72 0.00 0.00 177.10 173.19 3h1h s GLY 88 N -3.16 -0.36 0.29 1.21 0.00 -1.26 -0.26 107.32 103.77 3h1h s GLY 88 Ca 0.22 0.54 -0.09 0.00 0.00 0.00 0.00 44.72 45.39 3h1h s GLY 88 CO 0.03 0.09 0.54 1.58 0.00 0.00 0.00 173.10 175.33 3h1h n TYR 89 N -0.48 -1.82 -3.65 1.90 0.18 0.45 -4.99 117.16 108.75 3h1h n TYR 89 Ca -0.08 -1.50 -0.06 0.00 1.88 0.00 0.00 57.90 58.14 3h1h n TYR 89 Cb 0.62 0.63 -0.07 0.00 -0.38 0.00 0.00 39.34 40.14 3h1h n TYR 89 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 3h1h s THR 90 N -2.43 -0.40 0.00 -3.48 -1.32 -1.26 -1.21 115.64 105.54 3h1h s THR 90 Ca 0.15 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 3h1h s THR 90 Cb -0.03 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 3h1h s THR 90 CO 0.11 0.02 0.00 -1.54 -2.21 0.00 0.00 174.62 170.99 3h1h n SER 91 N 4.81 1.02 0.07 8.08 3.41 0.36 -4.98 113.62 126.40 3h1h n SER 91 Ca -0.16 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.29 3h1h n SER 91 Cb 0.54 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 3h1h n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3h1h h ARG 92 N 0.00 0.44 0.00 4.33 3.08 -1.93 -3.12 114.38 117.17 3h1h h ARG 92 Ca 0.00 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3h1h h ARG 92 Cb 0.00 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3h1h h ARG 92 CO 0.00 1.17 -0.03 0.39 -1.07 0.00 0.00 179.97 180.43 3h1h n GLU 93 N -3.73 1.94 -3.66 0.04 1.02 -1.26 -0.36 120.64 114.63 3h1h n GLU 93 Ca -0.08 -1.63 -0.11 0.00 -0.02 0.00 0.00 57.16 55.32 3h1h n GLU 93 Cb 0.88 -1.04 -0.08 0.00 -0.02 0.00 0.00 31.44 31.18 3h1h n GLU 93 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3h1h s GLN 94 N -1.32 0.66 0.15 3.49 0.74 -0.55 -4.09 119.66 118.75 3h1h s GLN 94 Ca 0.09 0.99 0.08 0.00 0.05 0.00 0.00 55.36 56.57 3h1h s GLN 94 Cb 0.08 0.20 -0.04 0.00 1.10 0.00 0.00 33.01 34.35 3h1h s GLN 94 CO 0.01 -0.12 -0.18 0.99 -0.55 0.00 0.00 175.29 175.43 3h1h s THR 95 N 1.03 1.74 -0.24 -0.34 2.01 -0.60 0.14 115.64 119.38 3h1h s THR 95 Ca -0.06 -1.85 -0.26 0.00 0.31 0.00 0.00 61.69 59.83 3h1h s THR 95 Cb -0.05 -1.77 0.09 0.00 0.01 0.00 0.00 72.50 70.78 3h1h s THR 95 CO -0.10 -0.30 0.85 0.00 -0.69 0.00 0.00 174.62 174.38 3h1h s ALA 96 N -1.95 -1.86 -0.09 7.40 0.00 -0.35 0.43 121.76 125.34 3h1h s ALA 96 Ca 0.14 1.85 0.01 0.00 0.00 0.00 0.00 51.96 53.96 3h1h s ALA 96 Cb -0.06 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 22.00 3h1h s ALA 96 CO 0.06 -0.31 -0.12 -0.06 0.00 0.00 0.00 175.76 175.34 3h1h s PHE 97 N -0.01 1.58 0.05 0.00 0.40 -0.86 -0.41 117.98 118.73 3h1h s PHE 97 Ca -0.00 -0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 55.63 3h1h s PHE 97 Cb -0.04 -1.19 -0.04 0.00 0.51 0.00 0.00 43.02 42.26 3h1h s PHE 97 CO -0.00 -0.39 -0.01 1.52 0.70 0.00 0.00 175.22 177.04 3h1h s TYR 98 N 1.01 0.47 0.04 0.36 -0.85 0.64 -1.37 117.35 117.65 3h1h s TYR 98 Ca -0.08 -0.98 0.05 0.00 -0.52 0.00 0.00 57.07 55.55 3h1h s TYR 98 Cb -0.15 -0.34 -0.02 0.00 0.38 0.00 0.00 41.96 41.83 3h1h s TYR 98 CO -0.01 -0.37 -0.15 0.42 -1.52 0.00 0.00 175.55 173.92 3h1h s ILE 99 N -3.67 1.20 -0.26 -3.49 1.01 0.10 -1.47 121.20 114.62 3h1h s ILE 99 Ca 0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 3h1h s ILE 99 Cb 0.06 -1.09 0.03 0.00 0.01 0.00 0.00 42.46 41.48 3h1h s ILE 99 CO -0.09 0.01 -0.05 -0.54 0.00 0.00 0.00 174.94 174.27 3h1h s LYS 100 N -1.22 2.68 0.33 2.79 1.02 0.19 -1.04 119.74 124.49 3h1h s LYS 100 Ca 0.02 -1.09 -0.14 0.00 0.02 0.00 0.00 55.97 54.79 3h1h s LYS 100 Cb -0.08 -3.04 0.03 0.00 -0.52 0.00 0.00 37.83 34.22 3h1h s LYS 100 CO 0.01 -0.47 0.66 0.00 -0.92 0.00 0.00 175.35 174.63 3h1h s ALA 101 N 1.29 -0.46 0.53 5.17 0.00 -0.67 0.19 121.76 127.81 3h1h s ALA 101 Ca -0.02 -0.83 -0.21 0.00 0.00 0.00 0.00 51.96 50.90 3h1h s ALA 101 Cb -0.18 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 3h1h s ALA 101 CO -0.03 -0.94 1.22 -0.51 0.00 0.00 0.00 175.76 175.50 3h1h s LEU 102 N -3.06 3.84 0.39 0.00 1.43 -1.26 0.11 118.68 120.13 3h1h s LEU 102 Ca 0.19 2.42 0.10 0.00 -1.03 0.00 0.00 54.13 55.81 3h1h s LEU 102 Cb -0.04 -4.39 0.87 0.00 0.03 0.00 0.00 46.19 42.66 3h1h s LEU 102 CO 0.12 -1.30 1.94 0.28 0.23 0.00 0.00 176.35 177.62 3h1h h SER 103 N 1.48 0.55 -0.73 2.29 0.02 -0.90 -1.05 113.55 115.20 3h1h h SER 103 Ca -0.50 0.01 0.21 0.00 -0.84 0.00 0.00 61.79 60.68 3h1h h SER 103 Cb 1.28 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 3h1h h SER 103 CO 0.58 0.33 0.68 0.50 -1.14 0.00 0.00 176.83 177.77 3h1h h LYS 104 N 0.61 0.00 -0.47 3.45 3.64 -1.89 0.27 116.57 122.18 3h1h h LYS 104 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3h1h h LYS 104 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3h1h h LYS 104 CO -0.12 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.81 3h1h n ASP 105 N -3.80 3.79 -0.32 4.20 8.00 -0.40 -4.68 116.55 123.35 3h1h n ASP 105 Ca 0.15 -2.33 0.19 0.00 0.71 0.00 0.00 54.79 53.51 3h1h n ASP 105 Cb 0.94 -0.43 0.37 0.00 -0.02 0.00 0.00 41.12 41.98 3h1h n ASP 105 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3h1h h MET 106 N 2.88 0.13 -0.06 -1.24 1.85 -0.49 -0.37 114.93 117.63 3h1h h MET 106 Ca 0.00 -0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.02 3h1h h MET 106 Cb 1.12 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.12 3h1h h MET 106 CO 0.11 0.08 -0.20 -1.00 -0.40 0.00 0.00 176.91 175.51 3h1h h PRO 107 N 0.13 0.23 0.00 0.39 0.13 -1.83 -2.22 132.00 128.83 3h1h h PRO 107 Ca 0.65 -0.18 -0.00 0.00 -0.87 0.00 0.00 66.00 65.60 3h1h h PRO 107 Cb 1.44 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.60 3h1h h PRO 107 CO -0.74 0.81 -0.02 -0.22 -0.23 0.00 0.00 178.00 177.60 3h1h h LYS 108 N -0.29 0.00 0.53 0.86 1.63 -1.72 -1.45 116.57 116.13 3h1h h LYS 108 Ca -0.01 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 3h1h h LYS 108 Cb 0.83 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.47 3h1h h LYS 108 CO 0.04 0.02 -0.25 0.28 -3.45 0.00 0.00 179.45 176.08 3h1h h VAL 109 N 0.00 0.00 -0.98 2.00 2.07 -1.07 -2.51 116.25 115.76 3h1h h VAL 109 Ca -0.00 -0.32 0.34 0.00 0.82 0.00 0.00 66.70 67.54 3h1h h VAL 109 Cb 0.03 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.63 3h1h h VAL 109 CO 0.00 0.00 0.34 0.58 0.02 0.00 0.00 177.57 178.51 3h1h h VAL 110 N -1.03 0.08 0.50 2.57 2.07 -0.74 0.64 116.25 120.34 3h1h h VAL 110 Ca -0.07 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3h1h h VAL 110 Cb 0.55 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3h1h h VAL 110 CO 0.12 0.01 -0.29 -0.08 0.02 0.00 0.00 177.57 177.35 3h1h h GLU 111 N 0.07 -0.72 -0.49 1.57 4.81 -1.25 -1.92 114.58 116.66 3h1h h GLU 111 Ca 0.72 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 60.10 3h1h h GLU 111 Cb 1.72 0.16 -0.09 0.00 0.63 0.00 0.00 28.75 31.18 3h1h h GLU 111 CO -0.79 -0.48 -0.07 -0.07 -0.73 0.00 0.00 179.01 176.88 3h1h h LEU 112 N -0.74 -0.35 0.12 1.64 3.38 0.67 -0.20 115.31 119.83 3h1h h LEU 112 Ca -0.06 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3h1h h LEU 112 Cb 0.60 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3h1h h LEU 112 CO 0.07 -0.12 -0.31 -0.07 0.09 0.00 0.00 178.44 178.10 3h1h h LEU 113 N 0.05 -0.93 -1.43 1.67 3.38 -0.89 -1.15 115.31 116.02 3h1h h LEU 113 Ca 0.24 0.09 0.30 0.00 0.09 0.00 0.00 57.88 58.60 3h1h h LEU 113 Cb 0.37 0.34 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 3h1h h LEU 113 CO -0.47 -0.34 0.71 0.00 0.09 0.00 0.00 178.44 178.43 3h1h h ALA 114 N -1.01 2.38 0.00 1.53 0.00 -0.95 0.83 119.26 122.04 3h1h h ALA 114 Ca -0.01 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3h1h h ALA 114 Cb 0.46 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3h1h h ALA 114 CO -0.15 -0.81 -0.38 0.22 0.00 0.00 0.00 179.25 178.14 3h1h h ASP 115 N 0.31 0.00 0.02 0.00 3.58 0.04 -1.91 116.42 118.46 3h1h h ASP 115 Ca 0.62 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 58.04 3h1h h ASP 115 Cb 1.72 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.77 3h1h h ASP 115 CO -0.29 0.38 -0.13 0.58 -2.88 0.00 0.00 179.24 176.90 3h1h h VAL 116 N 0.00 1.73 -0.01 2.25 2.07 0.18 -1.36 116.25 121.10 3h1h h VAL 116 Ca -0.00 -2.29 -0.12 0.00 0.82 0.00 0.00 66.70 65.10 3h1h h VAL 116 Cb 0.83 3.27 -0.02 0.00 -1.52 0.00 0.00 31.29 33.86 3h1h h VAL 116 CO 0.05 0.61 -0.56 -0.37 0.02 0.00 0.00 177.57 177.32 3h1h h VAL 117 N -0.86 1.40 0.06 2.57 -1.51 -1.44 -3.20 116.25 113.28 3h1h h VAL 117 Ca -0.02 -1.91 -0.36 0.00 -1.23 0.00 0.00 66.70 63.18 3h1h h VAL 117 Cb 1.06 2.02 -0.04 0.00 -2.13 0.00 0.00 31.29 32.20 3h1h h VAL 117 CO 0.02 0.55 -2.11 0.00 -1.23 0.00 0.00 177.57 174.80 3h1h n GLN 118 N -3.88 0.70 -2.20 5.19 6.02 -0.72 -4.70 117.38 117.80 3h1h n GLN 118 Ca -0.01 0.21 -0.21 0.00 -0.01 0.00 0.00 57.00 56.97 3h1h n GLN 118 Cb 0.57 -1.66 0.02 0.00 1.02 0.00 0.00 30.24 30.19 3h1h n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3h1h n ASN 119 N -3.28 4.44 -4.68 1.08 3.02 -0.51 -5.07 115.26 110.26 3h1h n ASN 119 Ca -0.33 -3.53 -0.45 0.00 -0.03 0.00 0.00 54.58 50.24 3h1h n ASN 119 Cb 1.04 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 39.80 3h1h n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1h h ALA 121 N 4.98 -0.91 -2.96 0.00 0.00 -1.49 -3.43 119.26 115.45 3h1h h ALA 121 Ca -0.45 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.15 3h1h h ALA 121 Cb 1.26 0.61 0.05 0.00 0.00 0.00 0.00 17.79 19.71 3h1h h ALA 121 CO 0.82 -0.95 -0.34 1.28 0.00 0.00 0.00 179.25 180.05 3h1h n LEU 122 N -4.17 -2.36 -4.64 0.00 4.77 -1.26 -4.89 117.00 104.45 3h1h n LEU 122 Ca -0.06 -0.20 -0.48 0.00 -0.03 0.00 0.00 56.01 55.24 3h1h n LEU 122 Cb 0.26 -1.84 -0.05 0.00 -2.33 0.00 0.00 43.42 39.45 3h1h n LEU 122 CO 0.13 0.20 1.60 1.21 -1.33 0.00 0.00 177.39 179.19 3h1h n GLU 123 N -2.65 2.03 -0.46 3.23 4.07 -1.26 -4.81 120.64 120.79 3h1h n GLU 123 Ca -0.04 0.71 0.39 0.00 -0.06 0.00 0.00 57.16 58.15 3h1h n GLU 123 Cb 0.55 -2.72 0.67 0.00 -0.06 0.00 0.00 31.44 29.88 3h1h n GLU 123 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3h1h h GLU 124 N 10.57 0.05 0.00 5.31 4.57 -2.01 0.49 114.58 133.55 3h1h h GLU 124 Ca -0.45 -0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.60 3h1h h GLU 124 Cb 1.27 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.83 3h1h h GLU 124 CO 0.96 0.03 -0.64 0.66 -1.18 0.00 0.00 179.01 178.84 3h1h h SER 125 N 0.05 0.00 -0.09 1.04 4.64 -2.02 -3.31 113.55 113.86 3h1h h SER 125 Ca 0.85 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 62.07 3h1h h SER 125 Cb 2.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.81 3h1h h SER 125 CO -0.44 0.64 -0.35 -0.61 -0.87 0.00 0.00 176.83 175.20 3h1h h GLN 126 N 0.00 0.40 -0.21 4.77 5.75 -0.38 -3.33 115.11 122.10 3h1h h GLN 126 Ca -0.01 -0.31 0.04 0.00 -0.15 0.00 0.00 58.65 58.22 3h1h h GLN 126 Cb 1.32 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 29.86 3h1h h GLN 126 CO 0.08 0.94 -0.54 0.82 -2.65 0.00 0.00 178.83 177.49 3h1h h ILE 127 N -0.06 0.01 0.00 2.39 2.04 -1.57 0.12 117.51 120.44 3h1h h ILE 127 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3h1h h ILE 127 Cb 0.99 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3h1h h ILE 127 CO 0.07 0.00 0.25 -0.33 0.00 0.00 0.00 178.15 178.14 3h1h h GLU 128 N -0.52 0.00 0.00 2.37 4.39 -1.67 -0.08 114.58 119.07 3h1h h GLU 128 Ca 0.05 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.58 3h1h h GLU 128 Cb 0.66 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 3h1h h GLU 128 CO -0.48 0.00 -1.11 1.17 -1.16 0.00 0.00 179.01 177.43 3h1h n LYS 129 N -2.29 0.53 0.30 2.33 4.81 -0.08 -3.87 118.16 119.89 3h1h n LYS 129 Ca -0.01 0.52 0.19 0.00 -0.87 0.00 0.00 58.31 58.14 3h1h n LYS 129 Cb 0.28 -1.69 1.01 0.00 0.02 0.00 0.00 35.03 34.65 3h1h n LYS 129 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3h1h h GLU 130 N -1.00 0.00 -0.27 1.64 4.39 -0.54 0.24 114.58 119.03 3h1h h GLU 130 Ca -0.25 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.34 3h1h h GLU 130 Cb 1.05 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3h1h h GLU 130 CO -0.15 0.00 -0.27 -0.09 -1.16 0.00 0.00 179.01 177.34 3h1h h ARG 131 N 0.00 0.66 -0.06 2.33 2.43 -1.18 0.14 114.38 118.70 3h1h h ARG 131 Ca 0.00 -0.35 -0.12 0.00 -0.81 0.00 0.00 59.98 58.70 3h1h h ARG 131 Cb 0.15 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3h1h h ARG 131 CO 0.00 0.95 -0.53 0.78 -1.51 0.00 0.00 179.97 179.67 3h1h h GLY 132 N 0.39 0.18 0.68 2.80 0.00 -0.67 -2.16 103.07 104.28 3h1h h GLY 132 Ca 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3h1h h GLY 132 CO 0.07 0.18 -0.19 -2.08 0.00 0.00 0.00 176.54 174.51 3h1h h VAL 133 N 0.13 0.53 -0.38 4.60 2.07 -1.11 -2.85 116.25 119.23 3h1h h VAL 133 Ca 0.00 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.07 3h1h h VAL 133 Cb 0.97 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 3h1h h VAL 133 CO 0.08 0.08 0.06 0.40 0.02 0.00 0.00 177.57 178.21 3h1h h ILE 134 N -0.87 0.78 -1.02 4.57 2.04 -0.76 -0.93 117.51 121.33 3h1h h ILE 134 Ca -0.05 -0.06 0.27 0.00 1.00 0.00 0.00 64.86 66.01 3h1h h ILE 134 Cb 0.55 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 3h1h h ILE 134 CO 0.09 0.03 0.69 -0.07 0.00 0.00 0.00 178.15 178.89 3h1h h LEU 135 N 0.17 0.29 0.12 1.44 3.38 -1.38 0.68 115.31 120.01 3h1h h LEU 135 Ca 0.18 0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.91 3h1h h LEU 135 Cb 0.23 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3h1h h LEU 135 CO -0.26 0.07 -1.38 1.56 0.09 0.00 0.00 178.44 178.53 3h1h h GLN 136 N 0.26 0.26 -0.76 1.13 1.08 -0.97 -3.17 115.11 112.95 3h1h h GLN 136 Ca 0.54 -0.45 0.06 0.00 -1.45 0.00 0.00 58.65 57.35 3h1h h GLN 136 Cb 1.61 0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 29.16 3h1h h GLN 136 CO -0.17 1.17 0.50 0.93 -0.95 0.00 0.00 178.83 180.30 3h1h h GLU 137 N 0.07 0.80 -0.49 1.46 5.08 0.16 -0.37 114.58 121.29 3h1h h GLU 137 Ca -0.18 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3h1h h GLU 137 Cb 2.00 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 31.04 3h1h h GLU 137 CO 0.19 0.53 0.20 -0.07 -1.00 0.00 0.00 179.01 178.85 3h1h h LEU 138 N 0.82 0.67 -1.14 1.33 3.38 -1.16 -0.72 115.31 118.50 3h1h h LEU 138 Ca 0.32 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3h1h h LEU 138 Cb 0.22 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3h1h h LEU 138 CO -0.11 0.66 0.17 0.11 0.09 0.00 0.00 178.44 179.36 3h1h h LYS 139 N 0.65 0.77 -0.34 1.13 1.57 -1.10 0.38 116.57 119.64 3h1h h LYS 139 Ca 0.16 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 3h1h h LYS 139 Cb 0.19 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3h1h h LYS 139 CO -0.01 0.67 -0.38 0.93 -0.57 0.00 0.00 179.45 180.08 3h1h h GLU 140 N 0.76 0.86 0.00 3.15 5.08 -0.87 -2.95 114.58 120.62 3h1h h GLU 140 Ca 0.18 -0.47 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 3h1h h GLU 140 Cb 0.21 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3h1h h GLU 140 CO -0.01 1.11 -0.26 0.52 -1.00 0.00 0.00 179.01 179.37 3h1h h MET 141 N 0.66 0.00 0.00 2.33 2.86 -0.79 -2.56 114.93 117.43 3h1h h MET 141 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3h1h h MET 141 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 3h1h h MET 141 CO 0.09 0.26 0.00 0.22 1.06 0.00 0.00 176.91 178.54 3h1h h ASP 142 N 0.00 0.00 -0.66 1.22 3.58 -0.74 -1.04 116.42 118.77 3h1h h ASP 142 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3h1h h ASP 142 Cb 0.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.82 3h1h h ASP 142 CO 0.03 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 176.98 3h1h n ASN 143 N -2.34 4.38 -3.94 2.28 3.02 -0.97 -4.64 115.26 113.06 3h1h n ASN 143 Ca 0.00 -2.27 -0.38 0.00 -0.03 0.00 0.00 54.58 51.91 3h1h n ASN 143 Cb 0.15 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 3h1h n ASN 143 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3h1h n ASP 144 N 1.27 5.09 -0.20 6.41 2.03 -0.40 -4.93 116.55 125.83 3h1h n ASP 144 Ca 0.25 -3.30 0.19 0.00 0.52 0.00 0.00 54.79 52.45 3h1h n ASP 144 Cb 0.77 -1.08 0.35 0.00 -0.72 0.00 0.00 41.12 40.44 3h1h n ASP 144 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3h1h n MET 145 N 1.63 -0.03 -0.26 -0.67 2.81 -1.26 0.26 117.12 119.59 3h1h n MET 145 Ca 0.26 0.79 -0.05 0.00 -1.81 0.00 0.00 57.70 56.88 3h1h n MET 145 Cb 0.37 -1.44 0.06 0.00 -0.71 0.00 0.00 33.22 31.49 3h1h n MET 145 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3h1h h THR 146 N 0.00 1.20 0.00 2.03 2.02 -1.95 0.48 112.91 116.69 3h1h h THR 146 Ca 0.50 -0.45 -0.14 0.00 0.77 0.00 0.00 66.41 67.09 3h1h h THR 146 Cb 1.36 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3h1h h THR 146 CO -0.42 0.21 -1.01 0.78 0.37 0.00 0.00 175.52 175.45 3h1h h ASN 147 N 0.98 0.00 0.24 4.18 2.35 -0.54 -2.68 115.58 120.11 3h1h h ASN 147 Ca 0.26 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.94 3h1h h ASN 147 Cb -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3h1h h ASN 147 CO -0.05 0.54 -0.29 0.58 -1.65 0.00 0.00 177.43 176.56 3h1h h VAL 148 N 0.00 1.23 0.02 2.81 2.07 -1.08 -1.95 116.25 119.35 3h1h h VAL 148 Ca -0.09 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3h1h h VAL 148 Cb 1.49 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3h1h h VAL 148 CO 0.06 0.32 -0.01 0.74 0.02 0.00 0.00 177.57 178.70 3h1h h THR 149 N 0.08 1.48 -0.29 2.57 2.02 -0.86 -2.65 112.91 115.26 3h1h h THR 149 Ca 0.01 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.48 3h1h h THR 149 Cb 0.56 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 3h1h h THR 149 CO 0.04 0.43 0.19 -0.26 0.37 0.00 0.00 175.52 176.29 3h1h h PHE 150 N -0.79 0.36 0.55 3.16 -1.00 -1.44 0.38 116.94 118.16 3h1h h PHE 150 Ca -0.00 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 3h1h h PHE 150 Cb 0.72 -0.12 0.01 0.00 3.61 0.00 0.00 35.95 40.16 3h1h h PHE 150 CO 0.18 0.23 -0.27 -0.44 -1.61 0.00 0.00 178.31 176.40 3h1h h ASP 151 N 0.39 -0.63 -0.97 2.17 3.32 -1.39 -1.32 116.42 117.99 3h1h h ASP 151 Ca 0.11 -0.03 0.13 0.00 0.02 0.00 0.00 57.03 57.26 3h1h h ASP 151 Cb -0.04 0.16 -0.08 0.00 0.22 0.00 0.00 39.33 39.59 3h1h h ASP 151 CO -0.02 -0.36 0.61 1.88 -1.72 0.00 0.00 179.24 179.63 3h1h h TYR 152 N -0.88 1.05 -0.06 4.55 0.99 -1.01 0.39 116.97 122.00 3h1h h TYR 152 Ca -0.08 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.72 3h1h h TYR 152 Cb 0.62 -0.33 -0.05 0.00 1.00 0.00 0.00 36.73 37.97 3h1h h TYR 152 CO -0.01 0.40 -0.25 1.25 -0.00 0.00 0.00 178.16 179.55 3h1h h LEU 153 N 0.90 -0.76 0.18 3.88 5.85 0.22 -1.87 115.31 123.70 3h1h h LEU 153 Ca 0.49 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.31 3h1h h LEU 153 Cb 0.57 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 3h1h h LEU 153 CO -0.25 -0.31 -0.09 0.45 -0.34 0.00 0.00 178.44 177.89 3h1h h HIS 154 N -0.35 -0.24 -1.75 1.25 3.86 -0.03 0.26 115.15 118.14 3h1h h HIS 154 Ca 0.08 -0.00 0.53 0.00 -1.16 0.00 0.00 60.37 59.82 3h1h h HIS 154 Cb 0.47 0.08 -0.10 0.00 1.06 0.00 0.00 27.41 28.93 3h1h h HIS 154 CO -0.32 -0.15 1.23 0.00 0.86 0.00 0.00 177.93 179.54 3h1h h ALA 155 N 0.57 3.50 0.00 2.45 0.00 0.44 0.08 119.26 126.31 3h1h h ALA 155 Ca -0.02 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3h1h h ALA 155 Cb 0.20 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3h1h h ALA 155 CO 0.03 -2.10 -1.67 -2.37 0.00 0.00 0.00 179.25 173.15 3h1h n THR 156 N -4.21 0.67 -0.10 0.00 5.66 -0.77 -3.02 114.28 112.51 3h1h n THR 156 Ca 0.42 -0.32 0.05 0.00 -3.05 0.00 0.00 64.05 61.15 3h1h n THR 156 Cb 1.83 -0.85 0.38 0.00 -1.55 0.00 0.00 70.33 70.14 3h1h n THR 156 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h1h h ALA 157 N 0.20 1.69 -0.05 1.79 0.00 0.51 -2.06 119.26 121.35 3h1h h ALA 157 Ca -0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3h1h h ALA 157 Cb 1.49 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3h1h h ALA 157 CO -0.02 0.26 -0.05 1.19 0.00 0.00 0.00 179.25 180.63 3h1h n PHE 158 N -4.46 0.17 -1.13 0.00 3.01 -0.08 -1.09 117.46 113.88 3h1h n PHE 158 Ca 0.07 -1.05 -0.38 0.00 1.01 0.00 0.00 57.45 57.10 3h1h n PHE 158 Cb 0.12 -0.19 -0.01 0.00 -0.01 0.00 0.00 39.48 39.38 3h1h n PHE 158 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h1h n GLN 159 N -1.26 0.00 -0.91 -1.08 10.64 -0.77 -1.31 117.38 122.69 3h1h n GLN 159 Ca 0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 3h1h n GLN 159 Cb 0.69 -0.84 0.00 0.00 -0.86 0.00 0.00 30.24 29.24 3h1h n GLN 159 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h1h n GLY 160 N 1.81 0.44 2.73 2.61 0.00 -1.26 -4.88 105.19 106.63 3h1h n GLY 160 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3h1h n GLY 160 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1h n THR 161 N -2.32 0.00 -0.27 2.61 -2.24 -0.43 -5.04 114.28 106.60 3h1h n THR 161 Ca 0.00 -1.86 -0.04 0.00 -2.27 0.00 0.00 64.05 59.88 3h1h n THR 161 Cb 0.11 0.51 0.07 0.00 -2.10 0.00 0.00 70.33 68.91 3h1h n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1h h ALA 162 N 1.35 0.94 0.00 6.98 0.00 -1.90 -2.49 119.26 124.15 3h1h h ALA 162 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3h1h h ALA 162 Cb 0.97 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3h1h h ALA 162 CO 0.47 0.32 0.00 -0.07 0.00 0.00 0.00 179.25 179.98 3h1h h LEU 163 N 0.97 0.00 0.00 0.00 3.38 -1.87 -3.06 115.31 114.72 3h1h h LEU 163 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3h1h h LEU 163 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3h1h h LEU 163 CO -0.07 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.46 3h1h n ALA 164 N -1.89 2.32 -2.88 1.53 0.00 -0.94 -4.74 120.51 113.92 3h1h n ALA 164 Ca 0.01 -0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3h1h n ALA 164 Cb 0.24 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 3h1h n ALA 164 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1h s ARG 165 N -2.00 3.43 0.41 0.00 0.52 -1.16 -4.22 118.95 115.93 3h1h s ARG 165 Ca 0.01 -0.16 -0.25 0.00 -0.52 0.00 0.00 55.73 54.81 3h1h s ARG 165 Cb 0.00 -3.17 -0.08 0.00 0.52 0.00 0.00 34.95 32.23 3h1h s ARG 165 CO 0.01 0.76 1.17 0.95 0.02 0.00 0.00 175.30 178.21 3h1h s THR 166 N -1.07 3.15 0.33 0.02 -4.23 -1.26 -4.89 115.64 107.69 3h1h s THR 166 Ca 0.17 0.94 0.05 0.00 -1.18 0.00 0.00 61.69 61.67 3h1h s THR 166 Cb -0.12 -3.52 0.12 0.00 1.34 0.00 0.00 72.50 70.32 3h1h s THR 166 CO 0.06 0.06 1.82 0.58 -0.54 0.00 0.00 174.62 176.60 3h1h h VAL 167 N 2.23 1.23 -0.10 2.29 2.07 -1.94 -2.91 116.25 119.12 3h1h h VAL 167 Ca -0.49 -1.02 -0.23 0.00 0.82 0.00 0.00 66.70 65.79 3h1h h VAL 167 Cb 1.24 1.22 0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3h1h h VAL 167 CO 0.62 0.32 -0.83 -0.33 0.02 0.00 0.00 177.57 177.37 3h1h h GLU 168 N 0.38 0.70 0.00 1.57 3.07 -1.93 -3.42 114.58 114.95 3h1h h GLU 168 Ca 0.07 -0.61 0.00 0.00 -0.50 0.00 0.00 59.36 58.32 3h1h h GLU 168 Cb 0.50 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 3h1h h GLU 168 CO 0.03 1.22 0.00 0.41 -1.40 0.00 0.00 179.01 179.27 3h1h n GLY 169 N 0.77 1.22 3.70 -3.84 0.00 -1.10 -4.26 105.19 101.68 3h1h n GLY 169 Ca -0.08 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.56 3h1h n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1h s THR 170 N -1.61 2.54 0.00 2.61 2.01 -1.26 -4.95 115.64 114.97 3h1h s THR 170 Ca 0.00 0.17 -0.20 0.00 0.31 0.00 0.00 61.69 61.97 3h1h s THR 170 Cb 0.00 -2.61 -0.23 0.00 0.01 0.00 0.00 72.50 69.67 3h1h s THR 170 CO 0.00 -0.23 1.11 0.74 -0.69 0.00 0.00 174.62 175.55 3h1h h THR 171 N -1.66 1.44 0.60 -0.82 2.02 -1.96 -3.04 112.91 109.49 3h1h h THR 171 Ca -0.50 -2.01 -0.03 0.00 0.77 0.00 0.00 66.41 64.64 3h1h h THR 171 Cb 1.29 2.56 -0.00 0.00 -1.74 0.00 0.00 68.15 70.26 3h1h h THR 171 CO 0.54 0.58 -0.38 -0.33 0.37 0.00 0.00 175.52 176.30 3h1h h GLU 172 N -0.14 -0.89 -0.89 6.66 4.39 -1.98 -1.45 114.58 120.28 3h1h h GLU 172 Ca -0.06 0.06 0.36 0.00 0.34 0.00 0.00 59.36 60.06 3h1h h GLU 172 Cb 1.23 0.20 -0.16 0.00 -0.10 0.00 0.00 28.75 29.92 3h1h h GLU 172 CO 0.10 -0.59 0.44 0.09 -1.16 0.00 0.00 179.01 177.89 3h1h n ASN 173 N -4.76 0.27 0.09 1.42 4.13 -1.25 0.13 115.26 115.29 3h1h n ASN 173 Ca -0.11 1.48 -0.04 0.00 1.68 0.00 0.00 54.58 57.59 3h1h n ASN 173 Cb 0.38 -0.71 -0.07 0.00 -1.54 0.00 0.00 39.78 37.85 3h1h n ASN 173 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3h1h h ILE 174 N 0.00 1.43 0.00 2.41 2.04 -1.36 -1.04 117.51 120.99 3h1h h ILE 174 Ca 0.74 -3.01 -0.07 0.00 1.00 0.00 0.00 64.86 63.52 3h1h h ILE 174 Cb 1.92 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 40.69 3h1h h ILE 174 CO -0.70 0.81 -0.31 0.11 0.00 0.00 0.00 178.15 178.06 3h1h h LYS 175 N 0.00 0.00 0.00 2.37 1.57 0.22 -3.36 116.57 117.37 3h1h h LYS 175 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3h1h h LYS 175 Cb 1.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.95 3h1h h LYS 175 CO 0.11 0.31 -0.02 0.72 -0.57 0.00 0.00 179.45 180.00 3h1h n HIS 176 N -3.35 0.00 -1.32 -1.35 8.25 -0.51 -5.06 115.22 111.88 3h1h n HIS 176 Ca 0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.10 3h1h n HIS 176 Cb 0.53 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.69 3h1h n HIS 176 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h1h n LEU 177 N -1.01 0.03 -4.29 2.41 4.77 -0.40 -4.97 117.00 113.55 3h1h n LEU 177 Ca 0.00 0.63 -0.21 0.00 -0.03 0.00 0.00 56.01 56.40 3h1h n LEU 177 Cb 0.00 -1.14 -0.11 0.00 -2.33 0.00 0.00 43.42 39.84 3h1h n LEU 177 CO 0.00 -3.40 -0.48 -0.89 -1.33 0.00 0.00 177.39 171.30 3h1h s THR 178 N -1.85 1.61 0.41 -5.08 2.01 -1.26 -5.00 115.64 106.48 3h1h s THR 178 Ca 0.65 -1.76 0.28 0.00 0.31 0.00 0.00 61.69 61.16 3h1h s THR 178 Cb -0.39 -1.66 0.44 0.00 0.01 0.00 0.00 72.50 70.90 3h1h s THR 178 CO 0.59 -0.30 1.54 -1.14 -0.69 0.00 0.00 174.62 174.61 3h1h n ARG 179 N 0.55 -0.04 0.31 4.92 0.00 -1.26 0.02 116.66 121.14 3h1h n ARG 179 Ca -0.15 1.27 -0.12 0.00 -0.00 0.00 0.00 57.85 58.85 3h1h n ARG 179 Cb 0.56 -2.43 -0.06 0.00 0.00 0.00 0.00 32.46 30.53 3h1h n ARG 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h1h h ALA 180 N 1.70 -0.89 -0.79 5.13 0.00 -1.98 -1.67 119.26 120.76 3h1h h ALA 180 Ca 0.85 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.76 3h1h h ALA 180 Cb 2.59 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 20.58 3h1h h ALA 180 CO -0.56 -0.83 0.26 -0.44 0.00 0.00 0.00 179.25 177.67 3h1h h ASP 181 N -1.10 0.15 0.07 0.00 5.19 -0.81 0.68 116.42 120.61 3h1h h ASP 181 Ca -0.08 0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3h1h h ASP 181 Cb 0.62 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.29 3h1h h ASP 181 CO 0.14 -0.00 -0.03 -0.07 -3.12 0.00 0.00 179.24 176.15 3h1h h LEU 182 N 0.34 -0.08 -0.18 1.55 3.38 -1.22 0.52 115.31 119.61 3h1h h LEU 182 Ca 0.45 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.38 3h1h h LEU 182 Cb 0.79 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 3h1h h LEU 182 CO -0.50 0.04 -0.14 0.00 0.09 0.00 0.00 178.44 177.93 3h1h h ALA 183 N 0.72 -0.01 -0.27 1.53 0.00 -0.03 -1.99 119.26 119.21 3h1h h ALA 183 Ca -0.01 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3h1h h ALA 183 Cb 0.17 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3h1h h ALA 183 CO 0.02 -0.57 -0.13 1.03 0.00 0.00 0.00 179.25 179.59 3h1h h SER 184 N -0.15 -0.44 -0.46 0.00 0.87 0.56 -0.85 113.55 113.08 3h1h h SER 184 Ca 0.11 0.11 0.09 0.00 -1.23 0.00 0.00 61.79 60.87 3h1h h SER 184 Cb 0.31 0.24 -0.09 0.00 -0.44 0.00 0.00 62.40 62.43 3h1h h SER 184 CO -0.27 -0.17 -0.15 0.22 -0.53 0.00 0.00 176.83 175.93 3h1h h TYR 185 N -0.10 -0.34 -0.08 2.24 3.20 -0.20 0.42 116.97 122.11 3h1h h TYR 185 Ca 0.14 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3h1h h TYR 185 Cb 0.31 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 3h1h h TYR 185 CO -0.32 -0.23 0.04 0.82 -1.64 0.00 0.00 178.16 176.83 3h1h h ILE 186 N -0.04 1.07 0.00 1.81 2.04 -0.95 0.17 117.51 121.60 3h1h h ILE 186 Ca 0.22 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3h1h h ILE 186 Cb 0.38 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3h1h h ILE 186 CO -0.50 0.06 -0.06 0.44 0.00 0.00 0.00 178.15 178.09 3h1h h ASP 187 N 0.05 0.00 0.21 1.72 3.32 -0.44 0.23 116.42 121.50 3h1h h ASP 187 Ca 0.03 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.73 3h1h h ASP 187 Cb 0.06 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3h1h h ASP 187 CO -0.00 0.06 -1.99 0.41 -1.72 0.00 0.00 179.24 175.99 3h1h n THR 188 N -3.24 1.69 -0.11 0.35 -1.04 0.14 -4.74 114.28 107.33 3h1h n THR 188 Ca -0.01 -0.70 -0.16 0.00 -2.04 0.00 0.00 64.05 61.15 3h1h n THR 188 Cb 0.27 -1.45 -0.10 0.00 -1.82 0.00 0.00 70.33 67.24 3h1h n THR 188 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3h1h n HIS 189 N -3.30 0.00 -2.28 -1.42 8.25 0.56 -4.83 115.22 112.21 3h1h n HIS 189 Ca -0.29 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.83 3h1h n HIS 189 Cb 1.05 -0.82 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 3h1h n HIS 189 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3h1h s PHE 190 N -2.43 2.25 -0.03 4.41 2.99 0.06 -4.91 117.98 120.32 3h1h s PHE 190 Ca -0.29 -0.30 0.02 0.00 0.00 0.00 0.00 56.93 56.36 3h1h s PHE 190 Cb 0.08 -4.32 0.01 0.00 0.00 0.00 0.00 43.02 38.79 3h1h s PHE 190 CO 0.48 -1.55 -0.08 0.15 -0.00 0.00 0.00 175.22 174.22 3h1h s LYS 191 N 5.70 0.98 0.06 0.44 1.02 -1.26 -4.87 119.74 121.80 3h1h s LYS 191 Ca 0.62 -0.25 -0.04 0.00 0.02 0.00 0.00 55.97 56.31 3h1h s LYS 191 Cb -0.00 -0.91 0.06 0.00 -0.52 0.00 0.00 37.83 36.46 3h1h s LYS 191 CO 0.07 0.05 0.38 0.00 -0.92 0.00 0.00 175.35 174.93 3h1h n ALA 192 N 3.55 -0.02 0.28 5.17 0.00 -1.26 0.25 120.51 128.47 3h1h n ALA 192 Ca -0.21 0.25 0.15 0.00 0.00 0.00 0.00 53.44 53.63 3h1h n ALA 192 Cb 0.53 -0.11 0.83 0.00 0.00 0.00 0.00 19.45 20.70 3h1h n ALA 192 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3h1h h PRO 193 N 0.00 0.00 -0.68 0.00 0.13 -1.76 -1.51 132.00 128.18 3h1h h PRO 193 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3h1h h PRO 193 Cb 0.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.28 3h1h h PRO 193 CO -0.25 0.07 0.00 0.54 -0.23 0.00 0.00 178.00 178.13 3h1h n ARG 194 N -3.63 2.75 -4.45 0.86 1.74 0.14 -4.87 116.66 109.19 3h1h n ARG 194 Ca -0.02 -2.58 -0.25 0.00 -0.77 0.00 0.00 57.85 54.23 3h1h n ARG 194 Cb 0.18 -1.53 -0.11 0.00 -1.02 0.00 0.00 32.46 29.98 3h1h n ARG 194 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3h1h s MET 195 N -1.01 1.62 -0.04 5.56 -1.94 -0.58 -1.68 119.30 121.23 3h1h s MET 195 Ca 0.45 -1.66 -0.01 0.00 -1.71 0.00 0.00 55.69 52.76 3h1h s MET 195 Cb 0.24 -1.81 0.03 0.00 2.01 0.00 0.00 34.83 35.30 3h1h s MET 195 CO 0.31 0.36 0.06 0.08 -0.01 0.00 0.00 175.02 175.82 3h1h s VAL 196 N -2.14 -0.10 -0.48 -6.03 1.01 -0.81 -3.15 120.40 108.69 3h1h s VAL 196 Ca 0.26 0.35 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 3h1h s VAL 196 Cb -0.06 -0.14 0.05 0.00 0.00 0.00 0.00 36.38 36.23 3h1h s VAL 196 CO 0.13 0.15 0.56 -0.22 0.00 0.00 0.00 175.10 175.71 3h1h s LEU 197 N 1.80 5.03 0.22 3.92 2.96 -0.33 -0.67 118.68 131.62 3h1h s LEU 197 Ca -0.00 -0.91 0.09 0.00 -0.22 0.00 0.00 54.13 53.09 3h1h s LEU 197 Cb -0.12 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 3h1h s LEU 197 CO -0.03 -0.80 -0.04 0.00 -1.32 0.00 0.00 176.35 174.16 3h1h s ALA 198 N 2.40 3.08 -0.07 5.97 0.00 0.66 -0.65 121.76 133.16 3h1h s ALA 198 Ca 0.13 -1.56 -0.29 0.00 0.00 0.00 0.00 51.96 50.24 3h1h s ALA 198 Cb -0.19 -0.77 0.10 0.00 0.00 0.00 0.00 23.12 22.26 3h1h s ALA 198 CO 0.12 0.37 0.86 0.00 0.00 0.00 0.00 175.76 177.11 3h1h s ALA 199 N -2.03 -1.84 -0.09 0.00 0.00 -0.37 -0.49 121.76 116.93 3h1h s ALA 199 Ca 0.28 1.29 -0.15 0.00 0.00 0.00 0.00 51.96 53.38 3h1h s ALA 199 Cb -0.08 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.95 3h1h s ALA 199 CO 0.18 -0.46 0.38 0.00 0.00 0.00 0.00 175.76 175.86 3h1h s ALA 200 N -1.86 -0.94 0.00 0.00 0.00 -0.15 -1.60 121.76 117.21 3h1h s ALA 200 Ca -0.02 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.74 3h1h s ALA 200 Cb -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.80 3h1h s ALA 200 CO -0.00 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.94 3h1h n GLY 201 N 2.11 0.33 2.74 0.00 0.00 -0.94 -1.27 105.19 108.16 3h1h n GLY 201 Ca -0.17 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 3h1h n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1h n GLY 202 N 0.00 5.34 3.57 -0.02 0.00 0.13 0.14 105.19 114.35 3h1h n GLY 202 Ca 0.00 -2.33 -0.32 0.00 0.00 0.00 0.00 46.02 43.36 3h1h n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1h s ILE 203 N -4.00 3.52 -0.25 -0.61 1.01 -1.26 -4.84 121.20 114.78 3h1h s ILE 203 Ca 0.51 -0.73 -0.21 0.00 0.00 0.00 0.00 60.65 60.23 3h1h s ILE 203 Cb 0.36 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 3h1h s ILE 203 CO -0.30 0.46 0.64 -0.55 0.00 0.00 0.00 174.94 175.19 3h1h s SER 204 N -1.19 6.60 0.26 3.58 0.15 -1.26 -4.53 113.70 117.30 3h1h s SER 204 Ca 0.15 0.74 -0.07 0.00 0.70 0.00 0.00 55.95 57.47 3h1h s SER 204 Cb -0.11 -2.34 0.46 0.00 -1.71 0.00 0.00 66.02 62.32 3h1h s SER 204 CO 0.05 -0.37 1.61 -0.74 1.20 0.00 0.00 173.24 174.99 3h1h h HIS 205 N 7.84 -0.17 0.06 3.44 2.76 -1.99 -0.30 115.15 126.78 3h1h h HIS 205 Ca -0.27 0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 57.96 3h1h h HIS 205 Cb 1.12 0.21 -0.00 0.00 1.55 0.00 0.00 27.41 30.29 3h1h h HIS 205 CO 0.75 -0.31 -0.07 0.87 -1.30 0.00 0.00 177.93 177.87 3h1h h LYS 206 N 0.05 -0.12 -0.98 5.26 6.56 -1.98 0.76 116.57 126.12 3h1h h LYS 206 Ca 0.44 0.01 0.29 0.00 -1.06 0.00 0.00 60.65 60.32 3h1h h LYS 206 Cb 0.77 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 32.42 3h1h h LYS 206 CO -0.77 -0.08 0.98 0.93 -2.06 0.00 0.00 179.45 178.45 3h1h h GLU 207 N -0.13 0.00 0.00 3.15 5.08 -1.76 0.51 114.58 121.43 3h1h h GLU 207 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3h1h h GLU 207 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3h1h h GLU 207 CO -0.02 0.00 -0.02 1.25 -1.00 0.00 0.00 179.01 179.22 3h1h h LEU 208 N 0.00 0.00 -1.32 1.33 5.85 0.15 -2.92 115.31 118.39 3h1h h LEU 208 Ca 0.47 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.22 3h1h h LEU 208 Cb 2.42 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 43.39 3h1h h LEU 208 CO -0.00 0.55 0.54 1.62 -0.34 0.00 0.00 178.44 180.81 3h1h h VAL 209 N -1.00 0.91 0.40 1.05 3.04 0.31 0.19 116.25 121.15 3h1h h VAL 209 Ca -0.00 -0.25 -0.02 0.00 -1.01 0.00 0.00 66.70 65.42 3h1h h VAL 209 Cb 0.10 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.51 3h1h h VAL 209 CO -0.00 0.13 -0.19 0.44 -1.01 0.00 0.00 177.57 176.94 3h1h h ASP 210 N 0.72 -0.46 0.12 3.17 3.32 -0.25 -0.96 116.42 122.09 3h1h h ASP 210 Ca 0.39 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3h1h h ASP 210 Cb 0.54 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3h1h h ASP 210 CO -0.16 -0.24 0.00 0.00 -1.72 0.00 0.00 179.24 177.12 3h1h h ALA 211 N -0.08 1.00 0.23 3.45 0.00 -1.12 -2.43 119.26 120.30 3h1h h ALA 211 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3h1h h ALA 211 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3h1h h ALA 211 CO 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 179.25 179.23 3h1h h ALA 212 N 2.01 -0.31 -0.57 0.00 0.00 0.39 -3.08 119.26 117.71 3h1h h ALA 212 Ca 0.00 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.92 3h1h h ALA 212 Cb 0.06 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3h1h h ALA 212 CO 0.00 -0.33 0.46 0.00 0.00 0.00 0.00 179.25 179.38 3h1h h ARG 213 N -1.01 0.00 -0.18 0.00 3.08 -0.76 0.18 114.38 115.70 3h1h h ARG 213 Ca -0.03 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 3h1h h ARG 213 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3h1h h ARG 213 CO 0.05 0.00 -0.49 0.37 -1.07 0.00 0.00 179.97 178.83 3h1h h GLN 214 N 0.00 0.64 0.00 0.04 4.15 -1.49 -3.30 115.11 115.15 3h1h h GLN 214 Ca 0.27 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.23 3h1h h GLN 214 Cb 1.19 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.95 3h1h h GLN 214 CO -0.00 1.08 -0.91 0.72 -1.93 0.00 0.00 178.83 177.78 3h1h n HIS 215 N -4.18 0.00 -2.83 3.99 8.25 -0.79 -4.49 115.22 115.17 3h1h n HIS 215 Ca -0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.10 3h1h n HIS 215 Cb 0.59 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 3h1h n HIS 215 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3h1h n PHE 216 N -1.49 3.78 0.01 4.41 0.99 0.57 -4.83 117.46 120.90 3h1h n PHE 216 Ca 0.02 -3.65 -0.13 0.00 -0.00 0.00 0.00 57.45 53.68 3h1h n PHE 216 Cb 0.28 -0.59 -0.14 0.00 -1.00 0.00 0.00 39.48 38.03 3h1h n PHE 216 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3h1h h SER 217 N 3.16 0.19 -0.23 4.37 4.64 -1.77 -3.42 113.55 120.48 3h1h h SER 217 Ca 0.22 -0.34 -0.52 0.00 -0.47 0.00 0.00 61.79 60.68 3h1h h SER 217 Cb 0.49 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3h1h h SER 217 CO 0.90 1.30 0.70 0.61 -0.87 0.00 0.00 176.83 179.46 3h1h n GLY 218 N 1.66 -0.02 3.94 -0.77 0.00 -1.26 -4.91 105.19 103.84 3h1h n GLY 218 Ca -0.19 0.69 -0.26 0.00 0.00 0.00 0.00 46.02 46.27 3h1h n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1h s VAL 219 N 3.15 5.30 -0.03 1.61 1.01 -1.26 -4.79 120.40 125.39 3h1h s VAL 219 Ca 0.73 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 3h1h s VAL 219 Cb -0.96 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 3h1h s VAL 219 CO 0.46 -0.13 0.05 -0.94 0.00 0.00 0.00 175.10 174.54 3h1h s SER 220 N -3.28 5.55 -0.20 3.32 1.04 -1.26 -5.05 113.70 113.81 3h1h s SER 220 Ca 0.35 0.15 -0.16 0.00 0.48 0.00 0.00 55.95 56.77 3h1h s SER 220 Cb -0.11 -1.58 -0.08 0.00 0.10 0.00 0.00 66.02 64.35 3h1h s SER 220 CO 0.29 0.31 -0.31 0.49 0.98 0.00 0.00 173.24 175.00 3h1h n PHE 221 N 1.52 0.15 -1.71 5.02 3.01 -1.26 -5.03 117.46 119.16 3h1h n PHE 221 Ca -0.15 0.06 -0.30 0.00 1.01 0.00 0.00 57.45 58.08 3h1h n PHE 221 Cb 0.53 -0.67 0.09 0.00 -0.01 0.00 0.00 39.48 39.42 3h1h n PHE 221 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3h1h s THR 222 N -2.72 2.74 0.14 4.37 -4.23 -1.26 -4.98 115.64 109.70 3h1h s THR 222 Ca -0.30 0.24 0.15 0.00 -1.18 0.00 0.00 61.69 60.61 3h1h s THR 222 Cb 0.06 -3.10 0.06 0.00 1.34 0.00 0.00 72.50 70.86 3h1h s THR 222 CO 0.43 -0.31 1.63 0.10 -0.54 0.00 0.00 174.62 175.92 3h1h h TYR 223 N -1.05 0.00 -0.63 3.99 -0.00 -2.01 -3.19 116.97 114.08 3h1h h TYR 223 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.26 3h1h h TYR 223 Cb 1.29 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.99 3h1h h TYR 223 CO 0.41 0.50 0.39 0.87 -0.00 0.00 0.00 178.16 180.33 3h1h h LYS 224 N 0.00 0.84 0.00 0.10 1.57 -1.94 -2.39 116.57 114.76 3h1h h LYS 224 Ca -0.00 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3h1h h LYS 224 Cb 1.08 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 3h1h h LYS 224 CO 0.06 0.59 -0.00 0.93 -0.57 0.00 0.00 179.45 180.46 3h1h h GLU 225 N 0.85 0.00 -0.01 3.15 5.08 -1.95 -0.85 114.58 120.86 3h1h h GLU 225 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3h1h h GLU 225 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3h1h h GLU 225 CO -0.05 0.00 -0.49 -0.25 -1.00 0.00 0.00 179.01 177.23 3h1h n ASP 226 N -3.14 1.16 -4.63 1.42 9.92 -0.91 -4.79 116.55 115.57 3h1h n ASP 226 Ca -0.03 -0.93 -0.35 0.00 -0.53 0.00 0.00 54.79 52.95 3h1h n ASP 226 Cb 0.07 0.39 -0.10 0.00 -0.64 0.00 0.00 41.12 40.84 3h1h n ASP 226 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h1h s ALA 227 N -2.68 3.46 -0.25 2.24 0.00 -0.32 -4.98 121.76 119.22 3h1h s ALA 227 Ca 0.17 -0.81 -0.26 0.00 0.00 0.00 0.00 51.96 51.06 3h1h s ALA 227 Cb 0.18 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.24 3h1h s ALA 227 CO 0.63 0.02 0.91 0.54 0.00 0.00 0.00 175.76 177.86 3h1h s VAL 228 N 0.65 4.76 0.09 0.00 0.11 -1.26 -4.99 120.40 119.76 3h1h s VAL 228 Ca 0.05 1.70 -0.31 0.00 -2.93 0.00 0.00 61.98 60.49 3h1h s VAL 228 Cb -0.13 -4.20 -0.08 0.00 -1.53 0.00 0.00 36.38 30.45 3h1h s VAL 228 CO 0.01 -0.14 1.50 -2.16 -3.33 0.00 0.00 175.10 170.99 3h1h s PRO 229 N 3.01 4.25 0.06 1.54 0.04 -1.26 -5.01 135.00 137.64 3h1h s PRO 229 Ca 0.38 2.19 -0.26 0.00 0.04 0.00 0.00 61.00 63.35 3h1h s PRO 229 Cb -0.15 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 30.94 3h1h s PRO 229 CO 0.08 -0.59 0.81 0.42 0.04 0.00 0.00 177.00 177.76 3h1h s ILE 230 N 1.82 4.68 0.28 0.56 1.01 -1.26 -5.04 121.20 123.24 3h1h s ILE 230 Ca 0.68 1.74 -0.20 0.00 0.00 0.00 0.00 60.65 62.87 3h1h s ILE 230 Cb -0.38 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 37.83 3h1h s ILE 230 CO 0.30 0.35 0.79 -0.76 0.00 0.00 0.00 174.94 175.63 3h1h s LEU 231 N -0.03 4.26 0.19 2.97 1.43 -1.26 -5.02 118.68 121.22 3h1h s LEU 231 Ca 0.41 1.51 -0.31 0.00 -1.03 0.00 0.00 54.13 54.71 3h1h s LEU 231 Cb -0.21 -3.84 -0.09 0.00 0.03 0.00 0.00 46.19 42.08 3h1h s LEU 231 CO 0.25 -0.06 1.41 -2.16 0.23 0.00 0.00 176.35 176.02 3h1h s PRO 232 N -2.25 4.30 0.76 1.29 0.04 -1.26 -4.94 135.00 132.94 3h1h s PRO 232 Ca 0.48 2.19 -0.11 0.00 0.04 0.00 0.00 61.00 63.60 3h1h s PRO 232 Cb -0.15 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.26 3h1h s PRO 232 CO 0.20 -0.41 1.08 -0.98 0.04 0.00 0.00 177.00 176.94 3h1h s ARG 233 N 0.31 2.36 -0.17 4.56 1.70 -1.26 -4.95 118.95 121.49 3h1h s ARG 233 Ca 0.62 0.84 -0.08 0.00 -0.47 0.00 0.00 55.73 56.64 3h1h s ARG 233 Cb -0.39 -1.93 -0.04 0.00 -0.57 0.00 0.00 34.95 32.01 3h1h s ARG 233 CO 0.37 -1.48 0.11 0.00 -1.08 0.00 0.00 175.30 173.21 3h1h s ARG 235 N -0.05 4.27 0.48 0.00 3.52 -1.26 -5.02 118.95 120.88 3h1h s ARG 235 Ca 0.09 0.55 -0.19 0.00 -0.13 0.00 0.00 55.73 56.05 3h1h s ARG 235 Cb -0.12 -3.52 -0.09 0.00 -1.56 0.00 0.00 34.95 29.66 3h1h s ARG 235 CO 0.00 -0.08 0.98 0.12 -0.81 0.00 0.00 175.30 175.51 3h1h s PHE 236 N 1.37 3.32 -0.15 5.12 5.36 -1.26 -4.44 117.98 127.30 3h1h s PHE 236 Ca 0.28 1.55 -0.04 0.00 -0.96 0.00 0.00 56.93 57.75 3h1h s PHE 236 Cb -0.16 -2.85 0.07 0.00 -0.34 0.00 0.00 43.02 39.74 3h1h s PHE 236 CO 0.11 -0.33 0.25 0.99 -1.46 0.00 0.00 175.22 174.79 3h1h s THR 237 N -2.35 -0.40 -0.26 0.12 2.01 -0.25 -4.99 115.64 109.53 3h1h s THR 237 Ca 0.61 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 62.50 3h1h s THR 237 Cb -0.10 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 3h1h s THR 237 CO 0.22 0.03 2.08 -0.83 -0.69 0.00 0.00 174.62 175.42 3h1h s GLY 238 N 2.40 0.59 0.27 4.40 0.00 -1.26 -4.56 107.32 109.16 3h1h s GLY 238 Ca 0.03 0.58 -0.20 0.00 0.00 0.00 0.00 44.72 45.14 3h1h s GLY 238 CO -0.10 3.62 0.88 -1.35 0.00 0.00 0.00 173.10 176.16 3h1h s SER 239 N 7.60 -0.07 0.06 1.64 1.04 -0.92 -4.92 113.70 118.12 3h1h s SER 239 Ca 0.93 -0.78 0.02 0.00 0.48 0.00 0.00 55.95 56.60 3h1h s SER 239 Cb -0.29 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 3h1h s SER 239 CO 0.34 -1.29 -0.07 -1.83 0.98 0.00 0.00 173.24 171.38 3h1h s GLU 240 N -2.73 0.63 -0.04 4.02 -1.05 -1.26 0.07 118.70 118.34 3h1h s GLU 240 Ca 0.16 -0.98 -0.00 0.00 -0.15 0.00 0.00 54.97 53.99 3h1h s GLU 240 Cb -0.04 -0.20 0.03 0.00 -0.44 0.00 0.00 34.13 33.48 3h1h s GLU 240 CO 0.07 0.01 0.01 -1.50 0.95 0.00 0.00 175.26 174.81 3h1h s ILE 241 N -2.35 0.12 -0.26 1.83 2.07 -0.27 -4.96 121.20 117.38 3h1h s ILE 241 Ca -0.02 0.17 0.02 0.00 -1.41 0.00 0.00 60.65 59.41 3h1h s ILE 241 Cb -0.03 -0.26 0.07 0.00 0.13 0.00 0.00 42.46 42.36 3h1h s ILE 241 CO -0.02 0.16 -0.06 -0.13 -1.91 0.00 0.00 174.94 172.98 3h1h s ARG 242 N 1.35 1.81 -0.58 3.50 0.52 -1.26 -1.23 118.95 123.06 3h1h s ARG 242 Ca -0.05 -1.25 -0.17 0.00 -0.52 0.00 0.00 55.73 53.74 3h1h s ARG 242 Cb -0.13 -2.76 0.13 0.00 0.52 0.00 0.00 34.95 32.71 3h1h s ARG 242 CO -0.03 -0.65 0.59 0.00 0.02 0.00 0.00 175.30 175.24 3h1h s ALA 243 N 1.22 3.62 0.09 2.13 0.00 0.11 -4.98 121.76 123.94 3h1h s ALA 243 Ca -0.04 -2.52 -0.07 0.00 0.00 0.00 0.00 51.96 49.32 3h1h s ALA 243 Cb -0.19 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 3h1h s ALA 243 CO -0.07 -2.15 0.36 0.50 0.00 0.00 0.00 175.76 174.41 3h1h s ARG 244 N 1.80 3.67 -0.37 0.00 3.52 -1.26 -1.27 118.95 125.05 3h1h s ARG 244 Ca 0.07 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.71 3h1h s ARG 244 Cb -0.26 -2.96 0.18 0.00 -1.56 0.00 0.00 34.95 30.35 3h1h s ARG 244 CO 0.03 0.55 0.81 0.34 -0.81 0.00 0.00 175.30 176.21 3h1h s ASP 245 N -1.98 -1.01 0.00 -2.12 -1.08 0.20 -4.82 116.67 105.85 3h1h s ASP 245 Ca 0.35 -0.49 0.01 0.00 -0.52 0.00 0.00 52.55 51.90 3h1h s ASP 245 Cb -0.13 1.30 0.05 0.00 -1.46 0.00 0.00 42.92 42.69 3h1h s ASP 245 CO 0.20 -0.11 0.85 0.47 0.52 0.00 0.00 175.17 177.09 3h1h n ASP 246 N 4.14 0.00 0.17 -0.34 8.00 -1.26 -1.19 116.55 126.07 3h1h n ASP 246 Ca 0.09 0.29 0.13 0.00 0.71 0.00 0.00 54.79 56.00 3h1h n ASP 246 Cb 0.60 -0.30 0.31 0.00 -0.02 0.00 0.00 41.12 41.70 3h1h n ASP 246 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h1h h ALA 247 N 2.05 1.00 -2.61 2.24 0.00 -1.95 -3.44 119.26 116.55 3h1h h ALA 247 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 3h1h h ALA 247 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3h1h h ALA 247 CO 0.00 0.00 0.33 -0.51 0.00 0.00 0.00 179.25 179.07 3h1h s LEU 248 N -5.42 4.50 0.33 0.00 1.43 -0.33 -4.97 118.68 114.22 3h1h s LEU 248 Ca 0.08 1.87 0.04 0.00 -1.03 0.00 0.00 54.13 55.09 3h1h s LEU 248 Cb 0.09 -3.78 0.58 0.00 0.03 0.00 0.00 46.19 43.11 3h1h s LEU 248 CO 0.62 0.06 1.88 1.55 0.23 0.00 0.00 176.35 180.69 3h1h h PRO 249 N 3.71 0.58 -5.00 1.29 0.13 -1.89 -3.40 132.00 127.42 3h1h h PRO 249 Ca -0.46 -0.12 -0.38 0.00 -0.87 0.00 0.00 66.00 64.17 3h1h h PRO 249 Cb 1.20 -0.09 -0.14 0.00 0.13 0.00 0.00 31.00 32.10 3h1h h PRO 249 CO 0.66 0.58 -0.62 0.14 -0.23 0.00 0.00 178.00 178.53 3h1h s VAL 250 N -5.04 0.79 0.12 1.56 -7.23 -1.26 -4.62 120.40 104.71 3h1h s VAL 250 Ca -0.08 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.17 3h1h s VAL 250 Cb 0.16 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 3h1h s VAL 250 CO 0.77 -0.07 -0.12 0.00 -0.31 0.00 0.00 175.10 175.37 3h1h s ALA 251 N -3.59 2.87 -0.10 1.32 0.00 0.81 -4.25 121.76 118.82 3h1h s ALA 251 Ca 0.36 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 51.05 3h1h s ALA 251 Cb 0.08 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.39 3h1h s ALA 251 CO 0.13 0.61 -0.23 -1.01 0.00 0.00 0.00 175.76 175.26 3h1h s HIS 252 N -1.24 2.52 -0.02 0.00 3.76 -0.12 -1.33 115.29 118.85 3h1h s HIS 252 Ca 0.21 -1.05 0.03 0.00 -0.15 0.00 0.00 55.06 54.09 3h1h s HIS 252 Cb -0.11 -1.69 -0.00 0.00 1.11 0.00 0.00 32.58 31.89 3h1h s HIS 252 CO 0.13 -0.43 -0.11 0.08 -0.85 0.00 0.00 174.74 173.56 3h1h s VAL 253 N 0.40 0.91 -0.02 -0.90 1.01 -0.28 -1.20 120.40 120.31 3h1h s VAL 253 Ca -0.18 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3h1h s VAL 253 Cb -0.18 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.42 3h1h s VAL 253 CO 0.08 0.27 -0.05 0.00 0.00 0.00 0.00 175.10 175.40 3h1h s ALA 254 N 0.06 0.57 -0.01 5.51 0.00 -0.65 -0.77 121.76 126.47 3h1h s ALA 254 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.81 3h1h s ALA 254 Cb -0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 3h1h s ALA 254 CO 0.00 0.06 -0.05 -1.17 0.00 0.00 0.00 175.76 174.61 3h1h s LEU 255 N 0.36 1.91 0.05 0.00 2.96 0.17 -1.42 118.68 122.72 3h1h s LEU 255 Ca -0.04 -0.09 -0.27 0.00 -0.22 0.00 0.00 54.13 53.51 3h1h s LEU 255 Cb -0.08 -0.27 0.08 0.00 0.50 0.00 0.00 46.19 46.42 3h1h s LEU 255 CO -0.00 0.04 0.69 0.00 -1.32 0.00 0.00 176.35 175.77 3h1h s ALA 256 N 0.02 -1.71 0.38 5.97 0.00 0.12 -0.78 121.76 125.76 3h1h s ALA 256 Ca 0.00 0.89 0.08 0.00 0.00 0.00 0.00 51.96 52.93 3h1h s ALA 256 Cb -0.03 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 3h1h s ALA 256 CO -0.00 -0.60 0.23 0.14 0.00 0.00 0.00 175.76 175.53 3h1h s VAL 257 N -2.69 2.77 0.28 0.00 -7.23 -0.73 0.46 120.40 113.26 3h1h s VAL 257 Ca -0.02 -1.57 -0.29 0.00 -1.81 0.00 0.00 61.98 58.29 3h1h s VAL 257 Cb -0.01 -3.01 -0.10 0.00 0.56 0.00 0.00 36.38 33.83 3h1h s VAL 257 CO -0.04 -0.08 1.20 -0.70 -0.31 0.00 0.00 175.10 175.16 3h1h s GLU 258 N -3.95 4.51 0.52 4.82 2.12 -1.26 -2.06 118.70 123.39 3h1h s GLU 258 Ca 0.42 1.98 -0.03 0.00 0.36 0.00 0.00 54.97 57.70 3h1h s GLU 258 Cb -0.01 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.23 3h1h s GLU 258 CO 0.24 0.00 0.79 0.20 -0.54 0.00 0.00 175.26 175.96 3h1h s GLY 259 N -0.54 1.60 0.16 -1.50 0.00 0.43 -4.71 107.32 102.76 3h1h s GLY 259 Ca 0.48 -0.89 0.09 0.00 0.00 0.00 0.00 44.72 44.40 3h1h s GLY 259 CO 0.44 -0.65 1.34 -0.56 0.00 0.00 0.00 173.10 173.67 3h1h h PRO 260 N 0.10 0.00 0.00 2.90 0.13 -1.88 -3.06 132.00 130.18 3h1h h PRO 260 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3h1h h PRO 260 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3h1h h PRO 260 CO 0.59 0.88 0.00 0.41 -0.23 0.00 0.00 178.00 179.65 3h1h n GLY 261 N 1.21 2.02 0.02 1.56 0.00 -0.80 -4.33 105.19 104.87 3h1h n GLY 261 Ca 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 46.02 44.51 3h1h n GLY 261 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3h1h n TRP 262 N 2.29 -0.02 -0.35 1.61 7.02 0.26 -1.13 117.44 127.11 3h1h n TRP 262 Ca 0.00 0.06 0.08 0.00 -1.02 0.00 0.00 57.50 56.62 3h1h n TRP 262 Cb 0.00 -0.42 0.26 0.00 -2.42 0.00 0.00 31.31 28.74 3h1h n TRP 262 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3h1h h ALA 263 N 0.01 1.57 -2.49 6.99 0.00 -1.84 -3.44 119.26 120.07 3h1h h ALA 263 Ca 0.01 0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.39 3h1h h ALA 263 Cb 0.02 -0.19 0.06 0.00 0.00 0.00 0.00 17.79 17.68 3h1h h ALA 263 CO -0.05 0.17 0.90 -3.47 0.00 0.00 0.00 179.25 176.81 3h1h n ASP 264 N -4.61 3.57 -0.09 0.00 -0.08 -0.29 -4.91 116.55 110.15 3h1h n ASP 264 Ca 0.19 1.08 -0.02 0.00 -1.51 0.00 0.00 54.79 54.53 3h1h n ASP 264 Cb 0.38 -1.51 0.23 0.00 2.34 0.00 0.00 41.12 42.56 3h1h n ASP 264 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3h1h h PRO 265 N 6.26 0.74 -1.21 -0.67 0.11 -1.89 -2.79 132.00 132.54 3h1h h PRO 265 Ca -0.44 -0.15 0.35 0.00 0.11 0.00 0.00 66.00 65.87 3h1h h PRO 265 Cb 1.23 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 3h1h h PRO 265 CO 0.92 0.68 0.84 -0.44 -0.21 0.00 0.00 178.00 179.79 3h1h h ASP 266 N 0.71 0.14 -1.18 -2.05 3.32 -1.96 0.20 116.42 115.59 3h1h h ASP 266 Ca 0.16 0.03 0.33 0.00 0.02 0.00 0.00 57.03 57.58 3h1h h ASP 266 Cb 0.29 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.79 3h1h h ASP 266 CO 0.00 0.01 0.82 0.78 -1.72 0.00 0.00 179.24 179.12 3h1h h ASN 267 N 0.11 0.15 0.42 6.45 2.35 -1.85 0.44 115.58 123.64 3h1h h ASN 267 Ca 0.62 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 56.38 3h1h h ASN 267 Cb 2.20 0.01 0.00 0.00 0.05 0.00 0.00 38.32 40.58 3h1h h ASN 267 CO -0.12 0.01 -0.20 0.58 -1.65 0.00 0.00 177.43 176.05 3h1h h VAL 268 N 0.12 0.56 -0.38 2.81 2.07 -0.84 -0.52 116.25 120.07 3h1h h VAL 268 Ca 0.60 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.81 3h1h h VAL 268 Cb 2.11 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.58 3h1h h VAL 268 CO -0.12 0.06 0.17 0.58 0.02 0.00 0.00 177.57 178.29 3h1h h VAL 269 N -0.77 0.95 -0.84 2.57 2.07 -0.58 -0.02 116.25 119.64 3h1h h VAL 269 Ca -0.06 -0.12 0.16 0.00 0.82 0.00 0.00 66.70 67.50 3h1h h VAL 269 Cb 0.53 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 3h1h h VAL 269 CO 0.09 0.07 0.40 -0.07 0.02 0.00 0.00 177.57 178.08 3h1h h LEU 270 N 0.36 0.43 -0.29 2.57 3.38 -0.20 0.33 115.31 121.89 3h1h h LEU 270 Ca 0.17 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 3h1h h LEU 270 Cb 0.10 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3h1h h LEU 270 CO -0.13 0.15 0.05 0.45 0.09 0.00 0.00 178.44 179.04 3h1h h HIS 271 N 0.53 0.51 -0.79 1.13 3.86 0.13 -1.65 115.15 118.87 3h1h h HIS 271 Ca 0.47 -0.07 0.15 0.00 -1.16 0.00 0.00 60.37 59.76 3h1h h HIS 271 Cb 0.74 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 29.01 3h1h h HIS 271 CO -0.12 0.58 0.52 0.28 0.86 0.00 0.00 177.93 180.05 3h1h h VAL 272 N 0.30 0.81 0.71 2.45 2.07 0.89 -0.48 116.25 123.00 3h1h h VAL 272 Ca 0.09 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3h1h h VAL 272 Cb 0.34 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3h1h h VAL 272 CO 0.01 0.09 -0.34 0.00 0.02 0.00 0.00 177.57 177.34 3h1h h ALA 273 N 1.63 -0.96 -0.11 1.67 0.00 0.32 -2.75 119.26 119.06 3h1h h ALA 273 Ca 0.39 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3h1h h ALA 273 Cb 0.81 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3h1h h ALA 273 CO -0.14 -0.90 0.33 -0.91 0.00 0.00 0.00 179.25 177.63 3h1h h ASN 274 N -1.23 0.00 0.39 0.00 -0.26 -0.66 0.46 115.58 114.28 3h1h h ASN 274 Ca -0.10 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.57 3h1h h ASN 274 Cb 0.75 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 3h1h h ASN 274 CO 0.16 0.00 -0.35 0.00 -1.06 0.00 0.00 177.43 176.18 3h1h h ALA 275 N 1.44 1.36 0.18 -0.83 0.00 -0.80 0.91 119.26 121.53 3h1h h ALA 275 Ca 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3h1h h ALA 275 Cb 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3h1h h ALA 275 CO -0.00 0.44 -0.09 0.82 0.00 0.00 0.00 179.25 180.42 3h1h h ILE 276 N 0.00 0.62 -0.38 0.00 2.04 -0.02 -3.29 117.51 116.49 3h1h h ILE 276 Ca -0.00 -1.08 -0.07 0.00 1.00 0.00 0.00 64.86 64.70 3h1h h ILE 276 Cb 0.64 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3h1h h ILE 276 CO 0.05 0.17 -0.07 0.40 0.00 0.00 0.00 178.15 178.69 3h1h h ILE 277 N -0.95 1.24 0.00 -0.67 2.04 -1.43 -3.43 117.51 114.30 3h1h h ILE 277 Ca -0.03 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.82 3h1h h ILE 277 Cb 0.47 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3h1h h ILE 277 CO 0.04 0.35 0.00 0.61 0.00 0.00 0.00 178.15 179.15 3h1h n GLY 278 N -0.62 2.82 3.46 5.37 0.00 0.31 -4.73 105.19 111.81 3h1h n GLY 278 Ca 0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 3h1h n GLY 278 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h1h s ARG 279 N 0.00 1.30 0.12 1.61 1.70 -1.26 -3.28 118.95 119.14 3h1h s ARG 279 Ca 0.00 -0.79 -0.06 0.00 -0.47 0.00 0.00 55.73 54.41 3h1h s ARG 279 Cb 0.00 0.52 -0.02 0.00 -0.57 0.00 0.00 34.95 34.88 3h1h s ARG 279 CO 0.00 -0.54 0.16 -0.47 -1.08 0.00 0.00 175.30 173.37 3h1h s TYR 280 N -3.84 0.48 -0.30 5.89 5.04 -0.90 -4.93 117.35 118.78 3h1h s TYR 280 Ca 0.07 -0.89 -0.17 0.00 -2.44 0.00 0.00 57.07 53.65 3h1h s TYR 280 Cb -0.00 -0.21 0.18 0.00 0.35 0.00 0.00 41.96 42.27 3h1h s TYR 280 CO -0.06 -0.59 1.11 0.34 -1.34 0.00 0.00 175.55 175.01 3h1h s ASP 281 N -2.96 -0.38 0.00 4.32 2.15 -1.26 -1.74 116.67 116.80 3h1h s ASP 281 Ca 0.15 0.52 0.00 0.00 0.43 0.00 0.00 52.55 53.65 3h1h s ASP 281 Cb 0.05 1.43 0.00 0.00 -0.30 0.00 0.00 42.92 44.10 3h1h s ASP 281 CO -0.03 -0.07 0.19 0.54 -0.17 0.00 0.00 175.17 175.63 3h1h n ARG 282 N 4.79 0.00 -0.25 4.34 1.74 -0.88 0.44 116.66 126.83 3h1h n ARG 282 Ca -0.08 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.08 3h1h n ARG 282 Cb 0.54 -0.79 0.22 0.00 -1.02 0.00 0.00 32.46 31.41 3h1h n ARG 282 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3h1h n THR 283 N -0.39 1.00 -2.66 0.55 -2.24 -1.26 -4.91 114.28 104.37 3h1h n THR 283 Ca 0.00 -1.00 -0.42 0.00 -2.27 0.00 0.00 64.05 60.36 3h1h n THR 283 Cb 0.19 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 3h1h n THR 283 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3h1h s PHE 284 N -1.00 3.48 -0.01 4.78 0.40 0.17 -4.91 117.98 120.88 3h1h s PHE 284 Ca 0.33 1.55 0.20 0.00 -0.60 0.00 0.00 56.93 58.41 3h1h s PHE 284 Cb 0.17 -3.22 0.51 0.00 0.51 0.00 0.00 43.02 41.00 3h1h s PHE 284 CO 0.23 -0.36 1.65 0.78 0.70 0.00 0.00 175.22 178.21 3h1h h GLY 285 N 7.96 0.00 0.39 4.36 0.00 -1.90 -3.19 103.07 110.68 3h1h h GLY 285 Ca -0.32 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.20 3h1h h GLY 285 CO 0.85 0.00 0.58 -1.33 0.00 0.00 0.00 176.54 176.64 3h1h h GLY 286 N 2.75 0.90 0.00 4.60 0.00 -1.98 -3.45 103.07 105.88 3h1h h GLY 286 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3h1h h GLY 286 CO 0.04 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.21 3h1h n GLY 287 N -1.50 2.02 0.03 4.60 0.00 -1.21 -1.76 105.19 107.37 3h1h n GLY 287 Ca 0.18 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.93 3h1h n GLY 287 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3h1h n LYS 288 N 14.00 0.01 0.00 1.61 2.85 -1.26 -0.89 118.16 134.48 3h1h n LYS 288 Ca 0.00 0.36 0.10 0.00 -1.05 0.00 0.00 58.31 57.72 3h1h n LYS 288 Cb 0.00 -1.75 -0.04 0.00 -0.65 0.00 0.00 35.03 32.60 3h1h n LYS 288 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3h1h n HIS 289 N -1.43 0.00 -1.36 5.58 8.25 -0.72 -4.89 115.22 120.65 3h1h n HIS 289 Ca -0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 3h1h n HIS 289 Cb 0.20 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.35 3h1h n HIS 289 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h1h n LEU 290 N -0.47 -0.75 0.11 2.41 4.77 -0.07 -4.85 117.00 118.15 3h1h n LEU 290 Ca 0.07 0.67 -0.01 0.00 -0.03 0.00 0.00 56.01 56.72 3h1h n LEU 290 Cb 0.41 -1.07 0.01 0.00 -2.33 0.00 0.00 43.42 40.44 3h1h n LEU 290 CO 0.31 -3.67 0.37 0.28 -1.33 0.00 0.00 177.39 173.35 3h1h h SER 291 N 0.04 0.00 -2.84 -1.43 0.02 -1.93 -3.44 113.55 103.97 3h1h h SER 291 Ca -0.44 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 59.94 3h1h h SER 291 Cb 1.40 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.91 3h1h h SER 291 CO 0.44 0.69 1.19 -0.55 -1.14 0.00 0.00 176.83 177.46 3h1h s SER 292 N -6.58 6.12 0.26 3.07 0.15 -1.26 -4.90 113.70 110.56 3h1h s SER 292 Ca 0.02 1.27 -0.03 0.00 0.70 0.00 0.00 55.95 57.91 3h1h s SER 292 Cb 0.09 -2.53 0.54 0.00 -1.71 0.00 0.00 66.02 62.41 3h1h s SER 292 CO 0.77 -1.53 1.66 0.03 1.20 0.00 0.00 173.24 175.37 3h1h h ARG 293 N 11.83 0.22 -0.48 5.44 3.08 -1.86 0.83 114.38 133.45 3h1h h ARG 293 Ca -0.32 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 3h1h h ARG 293 Cb 1.15 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 3h1h h ARG 293 CO 1.04 0.15 0.18 1.25 -1.07 0.00 0.00 179.97 181.51 3h1h h LEU 294 N 0.23 0.68 -0.50 3.04 5.85 -1.90 -2.00 115.31 120.70 3h1h h LEU 294 Ca 0.46 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 59.06 3h1h h LEU 294 Cb 0.84 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 3h1h h LEU 294 CO -0.58 0.68 0.21 0.00 -0.34 0.00 0.00 178.44 178.40 3h1h h ALA 295 N 1.03 0.63 0.32 1.25 0.00 -1.19 0.81 119.26 122.10 3h1h h ALA 295 Ca 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3h1h h ALA 295 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3h1h h ALA 295 CO -0.01 -0.17 -0.31 0.00 0.00 0.00 0.00 179.25 178.76 3h1h h ALA 296 N 1.31 -1.00 -0.79 0.00 0.00 -0.84 0.43 119.26 118.37 3h1h h ALA 296 Ca 0.24 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.22 3h1h h ALA 296 Cb 0.22 0.54 -0.13 0.00 0.00 0.00 0.00 17.79 18.42 3h1h h ALA 296 CO -0.21 -1.02 0.15 -0.07 0.00 0.00 0.00 179.25 178.10 3h1h h LEU 297 N -0.62 -0.09 -0.86 0.00 3.38 -1.21 1.03 115.31 116.95 3h1h h LEU 297 Ca -0.04 0.18 0.17 0.00 0.09 0.00 0.00 57.88 58.28 3h1h h LEU 297 Cb 0.53 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 3h1h h LEU 297 CO -0.03 -0.11 0.41 0.00 0.09 0.00 0.00 178.44 178.80 3h1h h ALA 298 N 1.69 1.32 0.02 1.53 0.00 -0.08 0.52 119.26 124.27 3h1h h ALA 298 Ca 0.46 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 3h1h h ALA 298 Cb 0.85 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3h1h h ALA 298 CO -0.60 -0.19 -0.01 0.28 0.00 0.00 0.00 179.25 178.73 3h1h h VAL 299 N 0.53 1.19 -0.71 0.00 2.07 0.28 0.18 116.25 119.80 3h1h h VAL 299 Ca 0.49 -1.79 0.10 0.00 0.82 0.00 0.00 66.70 66.33 3h1h h VAL 299 Cb 0.80 2.21 -0.08 0.00 -1.52 0.00 0.00 31.29 32.70 3h1h h VAL 299 CO -0.42 0.39 0.33 -0.08 0.02 0.00 0.00 177.57 177.80 3h1h h GLU 300 N -0.96 0.53 -0.54 1.57 4.81 0.98 -2.92 114.58 118.04 3h1h h GLU 300 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3h1h h GLU 300 Cb 0.66 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3h1h h GLU 300 CO 0.01 0.35 0.00 0.72 -0.73 0.00 0.00 179.01 179.36 3h1h n HIS 301 N -4.91 1.01 -3.92 0.92 8.25 0.18 -4.97 115.22 111.78 3h1h n HIS 301 Ca 0.11 -0.58 -0.26 0.00 -0.26 0.00 0.00 57.72 56.73 3h1h n HIS 301 Cb 0.30 -0.13 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 3h1h n HIS 301 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3h1h n LYS 302 N 0.89 -3.99 0.21 -0.41 4.76 0.06 -4.88 118.16 114.80 3h1h n LYS 302 Ca 0.21 0.48 0.09 0.00 -2.87 0.00 0.00 58.31 56.22 3h1h n LYS 302 Cb 0.69 -4.89 0.41 0.00 -1.84 0.00 0.00 35.03 29.40 3h1h n LYS 302 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3h1h h LEU 303 N -1.84 0.00 -7.46 -0.35 3.38 -0.96 -3.48 115.31 104.60 3h1h h LEU 303 Ca -0.61 0.00 0.26 0.00 0.09 0.00 0.00 57.88 57.61 3h1h h LEU 303 Cb 1.37 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.02 3h1h h LEU 303 CO 0.63 0.25 0.67 0.00 0.09 0.00 0.00 178.44 180.09 3h1h h HIS 305 N 2.00 0.00 -1.13 0.00 3.86 -1.36 -3.44 115.15 115.08 3h1h h HIS 305 Ca -0.27 0.00 0.35 0.00 -1.16 0.00 0.00 60.37 59.29 3h1h h HIS 305 Cb 1.22 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.52 3h1h h HIS 305 CO 0.41 0.40 0.95 -1.54 0.86 0.00 0.00 177.93 179.01 3h1h s SER 306 N -5.74 -0.03 -0.13 2.45 1.04 -1.23 -2.08 113.70 107.98 3h1h s SER 306 Ca -0.01 -0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.09 3h1h s SER 306 Cb 0.09 0.04 0.11 0.00 0.10 0.00 0.00 66.02 66.36 3h1h s SER 306 CO 0.80 -0.08 0.92 0.72 0.98 0.00 0.00 173.24 176.58 3h1h s PHE 307 N -2.12 -0.43 -0.01 5.02 -0.12 -0.71 -2.04 117.98 117.56 3h1h s PHE 307 Ca 0.13 0.74 -0.05 0.00 -0.05 0.00 0.00 56.93 57.70 3h1h s PHE 307 Cb 0.03 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.87 3h1h s PHE 307 CO -0.05 -0.41 0.11 1.14 -0.05 0.00 0.00 175.22 175.97 3h1h s GLN 308 N -1.16 0.35 0.08 1.99 -2.07 0.81 -2.12 119.66 117.54 3h1h s GLN 308 Ca -0.04 -0.24 0.03 0.00 -1.82 0.00 0.00 55.36 53.29 3h1h s GLN 308 Cb -0.00 0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 3h1h s GLN 308 CO 0.03 -0.07 0.10 0.95 -1.32 0.00 0.00 175.29 174.98 3h1h s THR 309 N -0.91 4.68 0.04 3.63 -4.23 -1.20 -1.18 115.64 116.46 3h1h s THR 309 Ca -0.10 -0.70 -0.13 0.00 -1.18 0.00 0.00 61.69 59.58 3h1h s THR 309 Cb -0.06 -3.26 0.02 0.00 1.34 0.00 0.00 72.50 70.53 3h1h s THR 309 CO 0.01 0.13 0.27 0.72 -0.54 0.00 0.00 174.62 175.20 3h1h s PHE 310 N -1.41 -0.06 -0.46 3.99 -0.71 -0.81 -4.99 117.98 113.52 3h1h s PHE 310 Ca 0.30 -0.08 0.08 0.00 -1.04 0.00 0.00 56.93 56.19 3h1h s PHE 310 Cb -0.12 0.06 0.26 0.00 -1.21 0.00 0.00 43.02 42.00 3h1h s PHE 310 CO 0.23 -0.47 0.60 -1.71 -1.34 0.00 0.00 175.22 172.52 3h1h n ASN 311 N 0.66 1.20 -4.60 1.98 5.15 -1.26 -2.42 115.26 115.97 3h1h n ASN 311 Ca -0.19 -2.92 -0.43 0.00 -0.60 0.00 0.00 54.58 50.45 3h1h n ASN 311 Cb 0.59 -0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 39.17 3h1h n ASN 311 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3h1h s THR 312 N -1.62 3.57 0.23 -0.44 2.01 -0.27 -4.88 115.64 114.23 3h1h s THR 312 Ca 0.37 0.59 0.03 0.00 0.31 0.00 0.00 61.69 62.98 3h1h s THR 312 Cb 0.17 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 3h1h s THR 312 CO -0.08 -0.45 0.38 -0.44 -0.69 0.00 0.00 174.62 173.33 3h1h s SER 313 N 5.49 6.33 0.30 3.53 0.01 -1.26 0.12 113.70 128.22 3h1h s SER 313 Ca 0.76 0.21 0.04 0.00 1.31 0.00 0.00 55.95 58.27 3h1h s SER 313 Cb -0.21 -1.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.06 3h1h s SER 313 CO 0.33 -0.07 0.20 -0.31 0.41 0.00 0.00 173.24 173.81 3h1h s TYR 314 N -1.95 1.58 0.13 2.43 1.51 -0.55 -4.87 117.35 115.63 3h1h s TYR 314 Ca 0.36 -1.50 -0.24 0.00 -1.01 0.00 0.00 57.07 54.68 3h1h s TYR 314 Cb -0.10 -0.74 -0.03 0.00 -0.11 0.00 0.00 41.96 40.98 3h1h s TYR 314 CO 0.30 -0.70 1.65 0.66 -1.11 0.00 0.00 175.55 176.35 3h1h h SER 315 N 2.25 -0.64 -0.01 2.29 4.64 -1.97 0.76 113.55 120.87 3h1h h SER 315 Ca -0.30 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3h1h h SER 315 Cb 1.24 0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 3h1h h SER 315 CO 0.45 -0.27 -0.00 -0.90 -0.87 0.00 0.00 176.83 175.24 3h1h n ASP 316 N -5.34 1.47 0.00 4.97 5.75 -1.26 -4.12 116.55 118.02 3h1h n ASP 316 Ca -0.04 -1.23 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 3h1h n ASP 316 Cb 0.26 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 3h1h n ASP 316 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 3h1h n THR 317 N 0.30 0.00 -0.21 2.12 5.66 -1.25 -4.70 114.28 116.21 3h1h n THR 317 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 3h1h n THR 317 Cb 0.15 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 3h1h n THR 317 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h1h n GLY 318 N 0.00 -2.06 2.71 1.09 0.00 -1.16 -1.47 105.19 104.30 3h1h n GLY 318 Ca 0.00 -1.18 -0.21 0.00 0.00 0.00 0.00 46.02 44.63 3h1h n GLY 318 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1h s LEU 319 N 0.00 0.35 -0.28 0.99 1.43 0.12 -0.43 118.68 120.85 3h1h s LEU 319 Ca 0.00 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3h1h s LEU 319 Cb 0.00 -0.27 0.06 0.00 0.03 0.00 0.00 46.19 46.01 3h1h s LEU 319 CO 0.00 -0.23 -0.07 0.12 0.23 0.00 0.00 176.35 176.40 3h1h s PHE 320 N 2.08 3.34 0.00 0.29 5.36 -0.88 -1.12 117.98 127.06 3h1h s PHE 320 Ca 0.05 -2.36 0.00 0.00 -0.96 0.00 0.00 56.93 53.66 3h1h s PHE 320 Cb -0.12 -2.10 0.00 0.00 -0.34 0.00 0.00 43.02 40.45 3h1h s PHE 320 CO -0.04 -0.88 0.00 0.41 -1.46 0.00 0.00 175.22 173.25 3h1h n GLY 321 N 4.43 2.90 3.40 13.12 0.00 -1.02 -1.77 105.19 126.26 3h1h n GLY 321 Ca -0.11 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 3h1h n GLY 321 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h1h s PHE 322 N -0.86 -0.08 0.01 1.61 -0.12 0.04 -1.92 117.98 116.66 3h1h s PHE 322 Ca 0.00 -0.25 0.01 0.00 -0.05 0.00 0.00 56.93 56.63 3h1h s PHE 322 Cb 0.00 0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 42.65 3h1h s PHE 322 CO 0.00 -0.79 -0.03 -1.58 -0.05 0.00 0.00 175.22 172.77 3h1h s HIS 323 N -3.86 0.23 0.03 3.49 2.46 -0.32 -0.65 115.29 116.66 3h1h s HIS 323 Ca 0.08 -0.19 -0.16 0.00 0.47 0.00 0.00 55.06 55.25 3h1h s HIS 323 Cb 0.01 -0.15 0.03 0.00 -0.13 0.00 0.00 32.58 32.34 3h1h s HIS 323 CO -0.06 -0.05 0.36 -0.59 -2.47 0.00 0.00 174.74 171.92 3h1h s PHE 324 N -0.51 -0.20 -0.13 3.88 -0.12 0.05 -0.14 117.98 120.81 3h1h s PHE 324 Ca -0.04 0.18 0.01 0.00 -0.05 0.00 0.00 56.93 57.02 3h1h s PHE 324 Cb -0.04 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.49 3h1h s PHE 324 CO -0.00 -0.50 -0.15 0.08 -0.05 0.00 0.00 175.22 174.59 3h1h s VAL 325 N -2.16 2.79 0.25 -2.49 1.01 -0.86 -1.12 120.40 117.81 3h1h s VAL 325 Ca -0.07 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 3h1h s VAL 325 Cb -0.02 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3h1h s VAL 325 CO -0.01 0.53 0.30 0.00 0.00 0.00 0.00 175.10 175.92 3h1h s ALA 326 N 0.49 0.80 0.38 5.51 0.00 -0.44 -0.84 121.76 127.67 3h1h s ALA 326 Ca -0.10 -1.49 -0.13 0.00 0.00 0.00 0.00 51.96 50.23 3h1h s ALA 326 Cb -0.16 1.27 -0.08 0.00 0.00 0.00 0.00 23.12 24.16 3h1h s ALA 326 CO 0.05 -0.71 0.79 -0.51 0.00 0.00 0.00 175.76 175.38 3h1h s ASP 327 N -3.16 6.65 0.44 0.00 1.01 -1.26 -0.13 116.67 120.22 3h1h s ASP 327 Ca 0.33 1.26 0.30 0.00 0.71 0.00 0.00 52.55 55.16 3h1h s ASP 327 Cb 0.03 -2.37 1.42 0.00 1.01 0.00 0.00 42.92 43.01 3h1h s ASP 327 CO 0.15 -0.34 1.63 1.55 0.21 0.00 0.00 175.17 178.37 3h1h h PRO 328 N 1.65 0.10 -0.24 8.23 0.13 -1.82 -0.87 132.00 139.18 3h1h h PRO 328 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3h1h h PRO 328 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3h1h h PRO 328 CO 0.64 0.06 0.00 1.28 -0.23 0.00 0.00 178.00 179.75 3h1h n LEU 329 N -4.64 2.74 -0.06 1.56 4.77 -1.26 -4.14 117.00 115.97 3h1h n LEU 329 Ca 0.36 -1.11 0.05 0.00 -0.03 0.00 0.00 56.01 55.28 3h1h n LEU 329 Cb 1.42 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 42.43 3h1h n LEU 329 CO 0.23 0.55 0.51 -1.54 -1.33 0.00 0.00 177.39 175.81 3h1h n SER 330 N 1.05 1.96 -0.02 -1.43 3.41 -0.34 -4.76 113.62 113.49 3h1h n SER 330 Ca 0.17 -2.45 -0.11 0.00 -0.26 0.00 0.00 58.87 56.22 3h1h n SER 330 Cb 0.51 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 3h1h n SER 330 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3h1h h ILE 331 N 0.52 1.15 0.54 -1.33 2.04 -1.70 -2.83 117.51 115.90 3h1h h ILE 331 Ca 0.00 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 3h1h h ILE 331 Cb 0.80 1.25 0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3h1h h ILE 331 CO 0.00 0.14 -0.26 -0.78 0.00 0.00 0.00 178.15 177.25 3h1h h ASP 332 N 0.02 -0.62 -0.67 1.72 3.58 -1.85 -0.47 116.42 118.13 3h1h h ASP 332 Ca 0.04 0.02 0.10 0.00 0.42 0.00 0.00 57.03 57.60 3h1h h ASP 332 Cb 0.18 0.16 -0.07 0.00 1.72 0.00 0.00 39.33 41.32 3h1h h ASP 332 CO -0.00 -0.43 0.29 0.44 -2.88 0.00 0.00 179.24 176.66 3h1h h ASP 333 N -0.74 0.34 0.35 2.28 3.32 -1.90 0.43 116.42 120.50 3h1h h ASP 333 Ca -0.07 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h1h h ASP 333 Cb 0.56 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 3h1h h ASP 333 CO 0.12 0.19 -0.42 -0.03 -1.72 0.00 0.00 179.24 177.38 3h1h h MET 334 N 0.50 -0.78 -0.20 3.56 4.05 -1.30 0.11 114.93 120.87 3h1h h MET 334 Ca 0.34 0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.85 3h1h h MET 334 Cb 0.40 0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.33 3h1h h MET 334 CO -0.30 -0.52 -0.08 1.98 0.23 0.00 0.00 176.91 178.22 3h1h h MET 335 N -0.81 -0.05 -0.41 0.39 1.85 -0.51 0.31 114.93 115.71 3h1h h MET 335 Ca -0.03 0.00 0.09 0.00 -0.61 0.00 0.00 59.70 59.15 3h1h h MET 335 Cb 0.74 0.01 -0.09 0.00 0.43 0.00 0.00 31.60 32.69 3h1h h MET 335 CO -0.10 -0.03 -0.21 0.35 -0.40 0.00 0.00 176.91 176.51 3h1h h PHE 336 N -0.05 -0.54 -0.67 1.39 3.57 0.25 -0.04 116.94 120.85 3h1h h PHE 336 Ca 0.11 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3h1h h PHE 336 Cb 0.21 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 3h1h h PHE 336 CO -0.24 -0.29 0.32 0.00 -2.23 0.00 0.00 178.31 175.87 3h1h h ALA 338 N 1.15 -1.14 -0.81 0.00 0.00 0.15 -0.47 119.26 118.14 3h1h h ALA 338 Ca 0.23 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.19 3h1h h ALA 338 Cb 0.11 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3h1h h ALA 338 CO -0.03 -1.14 0.60 1.96 0.00 0.00 0.00 179.25 180.64 3h1h h GLN 339 N -0.90 0.00 -0.06 0.00 4.20 -1.04 0.12 115.11 117.44 3h1h h GLN 339 Ca -0.07 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.65 3h1h h GLN 339 Cb 0.75 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 3h1h h GLN 339 CO 0.00 0.00 -0.00 0.78 -0.67 0.00 0.00 178.83 178.94 3h1h h GLY 340 N 0.00 0.05 1.30 3.46 0.00 -0.49 -1.94 103.07 105.45 3h1h h GLY 340 Ca 0.38 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 3h1h h GLY 340 CO -0.00 -0.01 0.34 0.83 0.00 0.00 0.00 176.54 177.70 3h1h h GLU 341 N 0.02 0.91 -0.38 4.80 4.39 -0.04 0.12 114.58 124.40 3h1h h GLU 341 Ca 0.03 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3h1h h GLU 341 Cb 0.03 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 3h1h h GLU 341 CO -0.05 0.69 0.24 -1.49 -1.16 0.00 0.00 179.01 177.24 3h1h h TRP 342 N 0.92 0.49 -0.83 4.33 4.06 -1.20 0.87 115.95 124.59 3h1h h TRP 342 Ca 0.23 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.18 3h1h h TRP 342 Cb 0.05 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.01 3h1h h TRP 342 CO 0.01 0.33 0.48 0.52 -3.56 0.00 0.00 178.44 176.21 3h1h h MET 343 N 0.51 1.14 -0.64 0.49 2.86 -0.52 -1.43 114.93 117.34 3h1h h MET 343 Ca 0.14 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3h1h h MET 343 Cb -0.03 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.37 3h1h h MET 343 CO -0.03 0.81 0.34 -0.09 1.06 0.00 0.00 176.91 179.00 3h1h h ARG 344 N 1.15 0.88 -0.12 1.72 2.43 0.54 -0.89 114.38 120.09 3h1h h ARG 344 Ca 0.29 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3h1h h ARG 344 Cb -0.01 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 3h1h h ARG 344 CO -0.05 0.66 0.02 -0.07 -1.51 0.00 0.00 179.97 179.01 3h1h h LEU 345 N 0.89 -0.01 -0.72 3.80 3.38 0.20 0.16 115.31 123.02 3h1h h LEU 345 Ca 0.22 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 3h1h h LEU 345 Cb 0.04 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3h1h h LEU 345 CO -0.03 0.02 -0.10 0.00 0.09 0.00 0.00 178.44 178.41 3h1h n THR 347 N -4.16 0.49 -2.72 0.00 -2.24 -0.38 -4.72 114.28 100.56 3h1h n THR 347 Ca 0.02 -0.49 -0.05 0.00 -2.27 0.00 0.00 64.05 61.26 3h1h n THR 347 Cb 0.38 -0.23 0.07 0.00 -2.10 0.00 0.00 70.33 68.44 3h1h n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3h1h n SER 348 N -2.29 0.43 -4.78 3.42 3.41 0.57 -5.07 113.62 109.31 3h1h n SER 348 Ca -0.13 -2.37 -0.34 0.00 -0.26 0.00 0.00 58.87 55.76 3h1h n SER 348 Cb 0.69 -0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.61 3h1h n SER 348 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3h1h s THR 349 N -2.23 3.25 0.20 6.66 2.01 -1.17 -4.92 115.64 119.45 3h1h s THR 349 Ca 0.23 0.70 0.08 0.00 0.31 0.00 0.00 61.69 63.01 3h1h s THR 349 Cb 0.40 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 3h1h s THR 349 CO -0.03 -0.25 -0.02 -0.89 -0.69 0.00 0.00 174.62 172.74 3h1h s THR 350 N -2.03 3.57 0.21 -0.82 2.01 -1.26 -4.89 115.64 112.44 3h1h s THR 350 Ca 0.70 -1.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 3h1h s THR 350 Cb -0.22 -2.82 0.14 0.00 0.01 0.00 0.00 72.50 69.61 3h1h s THR 350 CO 0.32 -0.18 1.75 -0.33 -0.69 0.00 0.00 174.62 175.50 3h1h h GLU 351 N 2.52 1.16 -0.62 4.92 4.39 -1.98 -2.14 114.58 122.84 3h1h h GLU 351 Ca -0.46 -0.24 0.07 0.00 0.34 0.00 0.00 59.36 59.06 3h1h h GLU 351 Cb 1.21 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.63 3h1h h GLU 351 CO 0.58 0.98 0.31 0.77 -1.16 0.00 0.00 179.01 180.49 3h1h h SER 352 N 1.12 0.42 0.68 1.42 0.02 -1.99 0.40 113.55 115.62 3h1h h SER 352 Ca 0.25 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 3h1h h SER 352 Cb 0.29 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.81 3h1h h SER 352 CO -0.01 0.27 -0.33 -0.33 -1.14 0.00 0.00 176.83 175.28 3h1h h GLU 353 N 0.57 -0.89 -0.55 3.45 5.08 -1.82 -2.96 114.58 117.45 3h1h h GLU 353 Ca 0.29 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.73 3h1h h GLU 353 Cb 0.24 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3h1h h GLU 353 CO -0.22 -0.59 0.35 -0.39 -1.00 0.00 0.00 179.01 177.16 3h1h h VAL 354 N -0.93 1.10 -0.75 3.13 -1.51 -1.13 -1.02 116.25 115.15 3h1h h VAL 354 Ca -0.09 -0.24 0.17 0.00 -1.23 0.00 0.00 66.70 65.31 3h1h h VAL 354 Cb 0.71 0.34 -0.12 0.00 -2.13 0.00 0.00 31.29 30.09 3h1h h VAL 354 CO 0.15 0.13 0.14 0.50 -1.23 0.00 0.00 177.57 177.25 3h1h h LYS 355 N 0.70 0.21 0.56 5.19 3.64 -0.89 0.25 116.57 126.24 3h1h h LYS 355 Ca 0.21 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3h1h h LYS 355 Cb -0.04 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3h1h h LYS 355 CO -0.07 0.14 -0.27 -0.09 -2.27 0.00 0.00 179.45 176.89 3h1h h ARG 356 N 0.21 -0.73 -1.00 1.90 2.43 -1.29 -2.84 114.38 113.06 3h1h h ARG 356 Ca 0.43 0.05 0.38 0.00 -0.81 0.00 0.00 59.98 60.02 3h1h h ARG 356 Cb 0.75 0.17 -0.18 0.00 -0.42 0.00 0.00 29.97 30.29 3h1h h ARG 356 CO -0.56 -0.46 0.38 0.00 -1.51 0.00 0.00 179.97 177.82 3h1h n ALA 357 N -2.69 0.87 0.42 2.80 0.00 -0.42 0.10 120.51 121.59 3h1h n ALA 357 Ca -0.10 1.04 -0.19 0.00 0.00 0.00 0.00 53.44 54.19 3h1h n ALA 357 Cb 0.31 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 18.72 3h1h n ALA 357 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h1h h LYS 358 N 0.00 -1.01 -0.95 0.00 1.57 -0.44 0.14 116.57 115.89 3h1h h LYS 358 Ca 0.77 0.07 0.12 0.00 -1.87 0.00 0.00 60.65 59.74 3h1h h LYS 358 Cb 1.94 0.23 -0.08 0.00 0.08 0.00 0.00 32.23 34.40 3h1h h LYS 358 CO -0.82 -0.68 0.57 -0.91 -0.57 0.00 0.00 179.45 177.05 3h1h h ASN 359 N -1.05 0.82 -0.74 0.86 2.35 -0.09 0.61 115.58 118.34 3h1h h ASN 359 Ca -0.11 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 3h1h h ASN 359 Cb 0.81 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 3h1h h ASN 359 CO 0.17 0.43 0.28 -0.74 -1.65 0.00 0.00 177.43 175.92 3h1h h HIS 360 N 0.90 1.15 -0.22 1.19 2.76 -0.63 -1.55 115.15 118.75 3h1h h HIS 360 Ca 0.47 -0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.51 3h1h h HIS 360 Cb 0.50 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 3h1h h HIS 360 CO -0.03 0.88 -0.04 1.25 -1.30 0.00 0.00 177.93 178.70 3h1h h LEU 361 N 1.10 0.41 -0.09 0.26 5.85 0.25 -1.76 115.31 121.33 3h1h h LEU 361 Ca 0.25 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3h1h h LEU 361 Cb 0.24 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3h1h h LEU 361 CO -0.02 0.67 -0.20 0.03 -0.34 0.00 0.00 178.44 178.58 3h1h h ARG 362 N 0.15 -0.27 -0.36 1.25 3.08 0.23 0.25 114.38 118.70 3h1h h ARG 362 Ca 0.06 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.23 3h1h h ARG 362 Cb 0.48 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3h1h h ARG 362 CO 0.02 -0.18 0.26 0.77 -1.07 0.00 0.00 179.97 179.77 3h1h h SER 363 N -0.28 0.02 0.19 7.04 0.02 -1.25 -2.03 113.55 117.26 3h1h h SER 363 Ca 0.09 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3h1h h SER 363 Cb 0.40 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3h1h h SER 363 CO -0.25 0.01 -0.09 0.00 -1.14 0.00 0.00 176.83 175.36 3h1h h ALA 364 N 1.82 -0.25 -0.74 3.77 0.00 0.33 -2.08 119.26 122.10 3h1h h ALA 364 Ca 0.17 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3h1h h ALA 364 Cb 0.66 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3h1h h ALA 364 CO -0.01 -0.44 0.45 0.00 0.00 0.00 0.00 179.25 179.26 3h1h h MET 365 N -0.67 0.83 -0.71 0.00 -0.00 -0.47 -1.73 114.93 112.18 3h1h h MET 365 Ca -0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.70 59.62 3h1h h MET 365 Cb 0.48 -0.19 -0.03 0.00 -0.00 0.00 0.00 31.60 31.86 3h1h h MET 365 CO 0.04 0.55 0.42 0.28 -0.00 0.00 0.00 176.91 178.20 3h1h h VAL 366 N 0.85 1.21 0.00 -0.10 2.07 -1.42 -1.83 116.25 117.04 3h1h h VAL 366 Ca 0.31 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3h1h h VAL 366 Cb 0.10 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3h1h h VAL 366 CO -0.14 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.66 3h1h h ALA 367 N 1.22 1.00 0.00 1.67 0.00 -0.70 -2.07 119.26 120.38 3h1h h ALA 367 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3h1h h ALA 367 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3h1h h ALA 367 CO -0.05 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.24 3h1h n GLN 368 N -2.96 0.00 -2.76 0.00 6.02 -0.69 -2.67 117.38 114.33 3h1h n GLN 368 Ca 0.01 0.27 -0.25 0.00 -0.01 0.00 0.00 57.00 57.02 3h1h n GLN 368 Cb 0.29 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 3h1h n GLN 368 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3h1h n LEU 369 N -1.51 4.07 -4.13 1.08 4.77 -0.78 -4.40 117.00 116.10 3h1h n LEU 369 Ca 0.03 -5.31 -0.37 0.00 -0.03 0.00 0.00 56.01 50.34 3h1h n LEU 369 Cb 0.16 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 3h1h n LEU 369 CO 0.13 2.25 0.35 -0.62 -1.33 0.00 0.00 177.39 178.16 3h1h s ASP 370 N -3.39 6.04 0.00 -1.43 2.15 -1.09 -4.83 116.67 114.12 3h1h s ASP 370 Ca 0.46 -3.60 0.00 0.00 0.43 0.00 0.00 52.55 49.84 3h1h s ASP 370 Cb 0.35 -1.93 0.00 0.00 -0.30 0.00 0.00 42.92 41.03 3h1h s ASP 370 CO -0.14 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 3h1h n GLY 371 N 2.51 0.57 0.13 2.66 0.00 -1.26 -4.75 105.19 105.05 3h1h n GLY 371 Ca 0.20 -2.14 -0.23 0.00 0.00 0.00 0.00 46.02 43.85 3h1h n GLY 371 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1h n THR 372 N 3.72 1.61 -0.03 2.61 -2.24 -1.26 -3.64 114.28 115.03 3h1h n THR 372 Ca 0.00 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.28 3h1h n THR 372 Cb 0.00 -1.78 -0.02 0.00 -2.10 0.00 0.00 70.33 66.43 3h1h n THR 372 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3h1h h THR 373 N -0.44 0.63 -0.73 4.28 2.02 -1.90 0.30 112.91 117.05 3h1h h THR 373 Ca -0.49 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.70 3h1h h THR 373 Cb 1.73 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 3h1h h THR 373 CO -0.13 0.00 0.48 1.55 0.37 0.00 0.00 175.52 177.79 3h1h h PRO 374 N -0.12 0.92 0.05 6.66 0.13 -1.85 0.38 132.00 138.17 3h1h h PRO 374 Ca 0.11 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3h1h h PRO 374 Cb 0.29 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.21 3h1h h PRO 374 CO -0.27 0.61 -0.02 0.28 -0.23 0.00 0.00 178.00 178.37 3h1h h VAL 375 N 0.95 1.16 -0.95 1.56 2.07 -1.42 -2.09 116.25 117.53 3h1h h VAL 375 Ca 0.28 -0.68 0.13 0.00 0.82 0.00 0.00 66.70 67.26 3h1h h VAL 375 Cb -0.05 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 3h1h h VAL 375 CO -0.07 0.17 0.60 0.00 0.02 0.00 0.00 177.57 178.30 3h1h h GLU 377 N 0.84 0.00 0.18 0.00 4.57 -0.72 0.61 114.58 120.05 3h1h h GLU 377 Ca 0.48 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 58.36 3h1h h GLU 377 Cb 0.62 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.23 3h1h h GLU 377 CO -0.24 0.28 -1.36 1.15 -1.18 0.00 0.00 179.01 177.66 3h1h h THR 378 N 0.00 1.39 -0.06 0.32 2.02 0.17 -2.82 112.91 113.94 3h1h h THR 378 Ca -0.00 -2.91 -0.03 0.00 0.77 0.00 0.00 66.41 64.24 3h1h h THR 378 Cb 0.58 2.97 -0.00 0.00 -1.74 0.00 0.00 68.15 69.96 3h1h h THR 378 CO 0.04 0.86 -0.08 0.40 0.37 0.00 0.00 175.52 177.10 3h1h h ILE 379 N 0.10 1.40 -0.39 3.11 2.04 -0.90 0.19 117.51 123.06 3h1h h ILE 379 Ca -0.19 -1.32 0.11 0.00 1.00 0.00 0.00 64.86 64.46 3h1h h ILE 379 Cb 2.05 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 40.27 3h1h h ILE 379 CO 0.23 0.36 0.29 1.23 0.00 0.00 0.00 178.15 180.26 3h1h h GLY 380 N -0.32 0.00 0.08 5.37 0.00 -0.98 -2.78 103.07 104.43 3h1h h GLY 380 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.08 3h1h h GLY 380 CO 0.02 0.00 -1.42 1.44 0.00 0.00 0.00 176.54 176.58 3h1h n SER 381 N -4.37 1.90 -0.30 0.19 7.64 -1.06 -3.46 113.62 114.15 3h1h n SER 381 Ca 0.06 0.39 0.10 0.00 1.01 0.00 0.00 58.87 60.43 3h1h n SER 381 Cb 0.47 -0.95 0.26 0.00 -1.01 0.00 0.00 64.21 62.99 3h1h n SER 381 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3h1h h HIS 382 N -0.87 0.73 0.32 1.43 -0.00 -0.46 0.16 115.15 116.46 3h1h h HIS 382 Ca -0.38 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.01 3h1h h HIS 382 Cb 1.41 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 3h1h h HIS 382 CO 0.09 0.09 -0.15 -0.07 -0.00 0.00 0.00 177.93 177.88 3h1h h LEU 383 N 0.54 -0.36 -1.81 2.43 3.38 -1.22 1.01 115.31 119.28 3h1h h LEU 383 Ca 0.51 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.45 3h1h h LEU 383 Cb 0.83 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 3h1h h LEU 383 CO -0.43 -0.03 0.39 0.25 0.09 0.00 0.00 178.44 178.71 3h1h h LEU 384 N -0.72 0.19 0.00 1.67 5.85 -1.37 0.64 115.31 121.57 3h1h h LEU 384 Ca -0.04 0.01 -0.31 0.00 0.84 0.00 0.00 57.88 58.37 3h1h h LEU 384 Cb 0.49 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 3h1h h LEU 384 CO 0.07 0.11 -2.07 0.59 -0.34 0.00 0.00 178.44 176.80 3h1h n ASN 385 N -4.44 1.61 0.04 1.25 3.02 0.48 -4.69 115.26 112.53 3h1h n ASN 385 Ca 0.10 0.17 0.11 0.00 -0.03 0.00 0.00 54.58 54.93 3h1h n ASN 385 Cb 0.49 -0.51 0.06 0.00 -0.61 0.00 0.00 39.78 39.21 3h1h n ASN 385 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3h1h n TYR 386 N -3.70 0.35 -0.89 3.10 4.01 0.33 -4.71 117.16 115.64 3h1h n TYR 386 Ca -0.37 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 3h1h n TYR 386 Cb 0.78 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 3h1h n TYR 386 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h1h n GLY 387 N 1.36 0.68 0.00 2.72 0.00 0.22 -4.95 105.19 105.22 3h1h n GLY 387 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3h1h n GLY 387 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3h1h n ARG 388 N -2.61 0.00 -4.83 1.61 1.85 -1.16 -4.83 116.66 106.69 3h1h n ARG 388 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.52 3h1h n ARG 388 Cb 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 3h1h n ARG 388 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3h1h s ARG 389 N -0.78 3.22 -0.31 2.89 6.06 -1.26 -2.53 118.95 126.24 3h1h s ARG 389 Ca 0.00 -0.70 -0.08 0.00 -2.50 0.00 0.00 55.73 52.45 3h1h s ARG 389 Cb 0.00 -2.57 0.01 0.00 0.06 0.00 0.00 34.95 32.45 3h1h s ARG 389 CO 0.00 0.28 0.10 0.42 -2.50 0.00 0.00 175.30 173.60 3h1h s ILE 390 N 0.17 4.10 0.47 4.11 1.01 -1.26 -5.08 121.20 124.72 3h1h s ILE 390 Ca -0.08 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 3h1h s ILE 390 Cb -0.15 -3.14 -0.09 0.00 0.01 0.00 0.00 42.46 39.08 3h1h s ILE 390 CO 0.05 0.03 0.97 -0.94 0.00 0.00 0.00 174.94 175.05 3h1h s SER 391 N 1.51 6.77 0.35 3.58 1.04 -1.26 -4.83 113.70 120.86 3h1h s SER 391 Ca 0.02 1.64 0.11 0.00 0.48 0.00 0.00 55.95 58.20 3h1h s SER 391 Cb -0.17 -2.53 0.88 0.00 0.10 0.00 0.00 66.02 64.30 3h1h s SER 391 CO 0.03 -0.48 1.82 -0.07 0.98 0.00 0.00 173.24 175.52 3h1h h LEU 392 N 1.42 0.63 -1.11 2.42 3.38 -1.98 0.71 115.31 120.78 3h1h h LEU 392 Ca -0.48 0.07 0.14 0.00 0.09 0.00 0.00 57.88 57.70 3h1h h LEU 392 Cb 1.18 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 3h1h h LEU 392 CO 0.61 0.24 0.61 -0.08 0.09 0.00 0.00 178.44 179.91 3h1h h GLU 393 N 0.62 0.83 0.17 1.13 4.81 -1.92 -0.12 114.58 120.09 3h1h h GLU 393 Ca 0.53 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 3h1h h GLU 393 Cb 1.00 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3h1h h GLU 393 CO -0.28 0.55 -0.08 1.49 -0.73 0.00 0.00 179.01 179.96 3h1h h GLU 394 N 0.86 -0.22 -0.84 1.92 4.81 0.01 -3.15 114.58 117.96 3h1h h GLU 394 Ca 0.49 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.88 3h1h h GLU 394 Cb 0.63 0.05 -0.14 0.00 0.63 0.00 0.00 28.75 29.92 3h1h h GLU 394 CO -0.26 -0.15 -0.30 0.91 -0.73 0.00 0.00 179.01 178.48 3h1h n TRP 395 N -4.69 0.08 -0.17 0.92 5.03 -0.33 0.65 117.44 118.93 3h1h n TRP 395 Ca -0.03 1.04 -0.02 0.00 3.03 0.00 0.00 57.50 61.53 3h1h n TRP 395 Cb 0.09 -0.85 0.07 0.00 -1.03 0.00 0.00 31.31 29.58 3h1h n TRP 395 CO 0.00 0.00 0.00 0.22 -0.03 0.00 0.00 177.69 177.88 3h1h h ASP 396 N 0.00 -0.26 -0.90 -0.99 1.82 -1.12 0.63 116.42 115.60 3h1h h ASP 396 Ca 0.32 0.13 -0.00 0.00 -0.39 0.00 0.00 57.03 57.09 3h1h h ASP 396 Cb 0.53 0.24 -0.04 0.00 0.68 0.00 0.00 39.33 40.73 3h1h h ASP 396 CO -0.85 -0.09 0.56 -1.28 -1.61 0.00 0.00 179.24 175.97 3h1h h SER 397 N 0.10 1.07 0.11 2.28 0.87 0.26 0.62 113.55 118.86 3h1h h SER 397 Ca 0.27 -0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 3h1h h SER 397 Cb 0.41 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3h1h h SER 397 CO -0.46 0.82 -0.29 0.03 -0.53 0.00 0.00 176.83 176.40 3h1h h ARG 398 N 1.24 0.29 0.13 2.24 3.08 -0.25 -2.58 114.38 118.53 3h1h h ARG 398 Ca 0.33 -0.11 -0.24 0.00 0.07 0.00 0.00 59.98 60.03 3h1h h ARG 398 Cb -0.07 -0.02 0.03 0.00 0.08 0.00 0.00 29.97 29.99 3h1h h ARG 398 CO -0.06 0.57 -1.00 0.82 -1.07 0.00 0.00 179.97 179.22 3h1h h ILE 399 N 0.26 1.40 -0.02 2.04 2.04 -0.22 -3.27 117.51 119.74 3h1h h ILE 399 Ca 0.04 -2.45 0.01 0.00 1.00 0.00 0.00 64.86 63.45 3h1h h ILE 399 Cb 0.65 2.92 -0.00 0.00 -0.74 0.00 0.00 36.82 39.66 3h1h h ILE 399 CO 0.05 0.72 0.02 0.28 0.00 0.00 0.00 178.15 179.21 3h1h h SER 400 N -0.06 0.00 1.00 1.72 0.02 0.32 -1.91 113.55 114.65 3h1h h SER 400 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3h1h h SER 400 Cb 1.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.28 3h1h h SER 400 CO 0.19 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.88 3h1h n ALA 401 N -2.38 2.30 -2.09 3.77 0.00 -0.98 -4.83 120.51 116.30 3h1h n ALA 401 Ca -0.03 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 3h1h n ALA 401 Cb 0.10 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.05 3h1h n ALA 401 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3h1h s VAL 402 N -3.01 4.06 0.20 0.00 1.01 -0.72 -5.05 120.40 116.90 3h1h s VAL 402 Ca 0.13 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.91 3h1h s VAL 402 Cb 0.18 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3h1h s VAL 402 CO 0.52 0.31 0.05 1.51 0.00 0.00 0.00 175.10 177.50 3h1h s ASP 403 N -0.19 1.03 0.01 3.32 -4.77 -1.26 -4.95 116.67 109.86 3h1h s ASP 403 Ca 0.48 -1.27 -0.03 0.00 -3.30 0.00 0.00 52.55 48.42 3h1h s ASP 403 Cb -0.27 0.17 -0.01 0.00 -1.09 0.00 0.00 42.92 41.72 3h1h s ASP 403 CO 0.33 -0.67 1.05 0.00 0.70 0.00 0.00 175.17 176.59 3h1h h ALA 404 N 2.59 -0.39 -1.34 2.11 0.00 -1.91 0.74 119.26 121.06 3h1h h ALA 404 Ca -0.37 -0.00 0.42 0.00 0.00 0.00 0.00 54.91 54.96 3h1h h ALA 404 Cb 1.22 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 19.62 3h1h h ALA 404 CO 0.61 -0.41 0.92 -2.13 0.00 0.00 0.00 179.25 178.23 3h1h n ARG 405 N -2.92 -0.02 0.03 0.00 0.00 -1.26 0.11 116.66 112.60 3h1h n ARG 405 Ca -0.00 0.94 -0.19 0.00 -0.00 0.00 0.00 57.85 58.59 3h1h n ARG 405 Cb 0.03 -1.99 -0.14 0.00 0.00 0.00 0.00 32.46 30.36 3h1h n ARG 405 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 3h1h h MET 406 N 0.00 0.24 -0.96 -0.14 4.05 -1.34 -2.92 114.93 113.86 3h1h h MET 406 Ca 0.73 -0.41 0.03 0.00 -0.28 0.00 0.00 59.70 59.77 3h1h h MET 406 Cb 2.64 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 33.54 3h1h h MET 406 CO -0.20 1.20 0.63 0.28 0.23 0.00 0.00 176.91 179.05 3h1h h VAL 407 N -0.50 1.20 0.82 -5.77 2.07 0.25 -2.34 116.25 111.99 3h1h h VAL 407 Ca -0.12 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 3h1h h VAL 407 Cb 1.52 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3h1h h VAL 407 CO 0.12 0.23 -0.46 0.03 0.02 0.00 0.00 177.57 177.51 3h1h h ARG 408 N 1.25 -1.14 -0.73 1.57 3.08 -1.21 -1.98 114.38 115.22 3h1h h ARG 408 Ca 0.37 0.08 0.16 0.00 0.07 0.00 0.00 59.98 60.66 3h1h h ARG 408 Cb -0.06 0.26 -0.11 0.00 0.08 0.00 0.00 29.97 30.14 3h1h h ARG 408 CO -0.10 -0.76 0.15 -0.44 -1.07 0.00 0.00 179.97 177.75 3h1h h ASP 409 N -1.18 -0.03 0.45 7.04 3.32 -1.33 -0.09 116.42 124.59 3h1h h ASP 409 Ca -0.11 0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3h1h h ASP 409 Cb 0.93 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3h1h h ASP 409 CO 0.15 -0.06 -0.22 0.58 -1.72 0.00 0.00 179.24 177.97 3h1h h VAL 410 N 0.24 0.49 -0.95 -1.35 2.07 -1.38 -0.22 116.25 115.15 3h1h h VAL 410 Ca 0.41 -0.38 0.12 0.00 0.82 0.00 0.00 66.70 67.66 3h1h h VAL 410 Cb 0.70 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 3h1h h VAL 410 CO -0.52 0.06 0.58 0.00 0.02 0.00 0.00 177.57 177.71 3h1h h SER 412 N 0.91 0.06 -0.82 0.00 0.02 -0.94 0.81 113.55 113.60 3h1h h SER 412 Ca 0.47 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.56 3h1h h SER 412 Cb 0.49 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 3h1h h SER 412 CO -0.27 0.05 0.54 0.50 -1.14 0.00 0.00 176.83 176.51 3h1h h LYS 413 N 0.11 0.62 0.00 3.45 3.64 0.14 -2.58 116.57 121.96 3h1h h LYS 413 Ca 0.05 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3h1h h LYS 413 Cb 0.02 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3h1h h LYS 413 CO -0.05 0.41 -1.78 0.66 -2.27 0.00 0.00 179.45 176.42 3h1h n TYR 414 N -4.52 0.00 -0.06 1.91 4.02 -0.02 -4.83 117.16 113.66 3h1h n TYR 414 Ca 0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.92 3h1h n TYR 414 Cb 0.43 -0.41 -0.05 0.00 -0.02 0.00 0.00 39.34 39.30 3h1h n TYR 414 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3h1h n ILE 415 N -2.11 0.68 -1.68 -0.72 5.41 0.28 -4.72 119.36 116.49 3h1h n ILE 415 Ca -0.05 -0.19 -0.51 0.00 1.00 0.00 0.00 62.75 63.01 3h1h n ILE 415 Cb 0.47 -1.51 -0.05 0.00 -0.71 0.00 0.00 39.64 37.84 3h1h n ILE 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h1h n TYR 416 N -3.40 2.19 -2.75 1.39 9.36 -0.98 -2.16 117.16 120.82 3h1h n TYR 416 Ca -0.24 0.22 -0.20 0.00 3.32 0.00 0.00 57.90 61.01 3h1h n TYR 416 Cb 0.68 -2.57 0.01 0.00 -0.63 0.00 0.00 39.34 36.83 3h1h n TYR 416 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3h1h n ASP 417 N 5.62 -5.23 -4.89 2.98 4.64 0.45 -4.95 116.55 115.17 3h1h n ASP 417 Ca 0.23 -0.11 -0.34 0.00 -1.38 0.00 0.00 54.79 53.19 3h1h n ASP 417 Cb 0.24 -4.32 -0.05 0.00 -1.04 0.00 0.00 41.12 35.95 3h1h n ASP 417 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3h1h s LYS 418 N -5.40 3.42 -0.31 -0.67 -0.14 -0.92 -5.04 119.74 110.68 3h1h s LYS 418 Ca 0.16 -0.30 -0.29 0.00 -1.36 0.00 0.00 55.97 54.18 3h1h s LYS 418 Cb -0.07 -3.10 0.02 0.00 -1.68 0.00 0.00 37.83 32.99 3h1h s LYS 418 CO 0.19 0.69 1.09 0.00 -0.76 0.00 0.00 175.35 176.56 3h1h s PRO 420 N 3.66 2.99 -0.15 0.00 0.04 -1.26 -4.13 135.00 136.15 3h1h s PRO 420 Ca 0.46 -0.12 -0.06 0.00 0.04 0.00 0.00 61.00 61.33 3h1h s PRO 420 Cb -0.13 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 3h1h s PRO 420 CO 0.15 -0.57 0.05 0.00 0.04 0.00 0.00 177.00 176.67 3h1h s ALA 421 N -2.87 3.39 0.00 8.56 0.00 0.17 -2.18 121.76 128.84 3h1h s ALA 421 Ca 0.52 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.75 3h1h s ALA 421 Cb -0.10 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 3h1h s ALA 421 CO 0.43 0.33 -0.08 -1.17 0.00 0.00 0.00 175.76 175.28 3h1h s LEU 422 N -0.09 2.04 -0.06 0.00 2.96 0.11 -0.70 118.68 122.94 3h1h s LEU 422 Ca 0.06 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3h1h s LEU 422 Cb -0.12 -0.38 0.02 0.00 0.50 0.00 0.00 46.19 46.20 3h1h s LEU 422 CO 0.01 0.07 -0.08 0.00 -1.32 0.00 0.00 176.35 175.03 3h1h s ALA 423 N -0.30 0.99 -0.02 5.97 0.00 -0.51 -1.11 121.76 126.77 3h1h s ALA 423 Ca 0.02 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.76 3h1h s ALA 423 Cb -0.04 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3h1h s ALA 423 CO -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 175.76 175.61 3h1h s ALA 424 N 0.91 1.16 0.02 0.00 0.00 -0.37 -1.63 121.76 121.85 3h1h s ALA 424 Ca -0.11 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3h1h s ALA 424 Cb -0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 3h1h s ALA 424 CO 0.01 0.26 -0.08 0.08 0.00 0.00 0.00 175.76 176.03 3h1h s VAL 425 N -0.17 0.58 0.00 0.00 1.01 -0.34 0.04 120.40 121.51 3h1h s VAL 425 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3h1h s VAL 425 Cb -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3h1h s VAL 425 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.66 3h1h n GLY 426 N 2.33 0.32 2.36 4.51 0.00 -0.39 -0.95 105.19 113.36 3h1h n GLY 426 Ca -0.17 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.77 3h1h n GLY 426 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h1h n PRO 427 N 0.00 2.79 0.00 1.61 -0.04 -1.16 0.59 135.00 138.78 3h1h n PRO 427 Ca 0.00 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.26 3h1h n PRO 427 Cb 0.00 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 3h1h n PRO 427 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3h1h n ILE 428 N 1.62 0.23 -0.34 0.52 -5.35 -1.26 -4.48 119.36 110.30 3h1h n ILE 428 Ca 0.52 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.99 3h1h n ILE 428 Cb 0.56 -0.55 0.12 0.00 -1.74 0.00 0.00 39.64 38.04 3h1h n ILE 428 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3h1h h GLU 429 N 0.25 1.13 -0.01 6.28 4.81 -1.88 -2.56 114.58 122.60 3h1h h GLU 429 Ca 0.00 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 3h1h h GLU 429 Cb 0.52 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3h1h h GLU 429 CO 0.00 0.75 -0.36 0.37 -0.73 0.00 0.00 179.01 179.03 3h1h h GLN 430 N 1.16 0.02 -6.21 1.92 4.15 -1.78 -3.40 115.11 110.96 3h1h h GLN 430 Ca 0.36 -0.01 -0.56 0.00 0.77 0.00 0.00 58.65 59.21 3h1h h GLN 430 Cb -0.02 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 3h1h h GLN 430 CO -0.11 0.38 0.71 -1.17 -1.93 0.00 0.00 178.83 176.71 3h1h s LEU 431 N -8.22 4.21 0.26 -2.39 2.96 -0.96 -4.64 118.68 109.90 3h1h s LEU 431 Ca -0.03 1.60 -0.12 0.00 -0.22 0.00 0.00 54.13 55.36 3h1h s LEU 431 Cb 0.14 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.28 3h1h s LEU 431 CO 0.73 -0.59 0.50 -0.22 -1.32 0.00 0.00 176.35 175.45 3h1h s LEU 432 N 2.59 0.36 0.11 -0.68 2.96 -1.26 -4.98 118.68 117.77 3h1h s LEU 432 Ca 0.50 -0.99 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 3h1h s LEU 432 Cb -0.20 1.81 0.00 0.00 0.50 0.00 0.00 46.19 48.30 3h1h s LEU 432 CO 0.16 -1.19 0.00 -0.67 -1.32 0.00 0.00 176.35 173.33 3h1h n ASP 433 N -0.53 -6.09 -0.13 3.68 4.64 -1.26 -4.53 116.55 112.33 3h1h n ASP 433 Ca -0.02 1.35 -0.08 0.00 -1.38 0.00 0.00 54.79 54.66 3h1h n ASP 433 Cb 0.62 -3.95 -0.00 0.00 -1.04 0.00 0.00 41.12 36.75 3h1h n ASP 433 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 3h1h h TYR 434 N 4.04 0.51 -0.62 -0.67 3.20 -1.99 -2.53 116.97 118.92 3h1h h TYR 434 Ca 0.00 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 3h1h h TYR 434 Cb 0.00 -0.17 -0.11 0.00 1.54 0.00 0.00 36.73 37.99 3h1h h TYR 434 CO 0.00 0.36 -0.43 -0.91 -1.64 0.00 0.00 178.16 175.54 3h1h h ASN 435 N 0.52 -1.49 -0.43 -2.11 2.35 -1.99 0.57 115.58 113.00 3h1h h ASN 435 Ca 0.14 0.25 0.06 0.00 -0.55 0.00 0.00 56.30 56.20 3h1h h ASN 435 Cb -0.01 0.69 -0.05 0.00 0.05 0.00 0.00 38.32 39.00 3h1h h ASN 435 CO -0.03 -0.33 0.15 0.03 -1.65 0.00 0.00 177.43 175.60 3h1h h ARG 436 N -0.20 0.30 -0.58 0.81 2.47 -1.76 -1.03 114.38 114.40 3h1h h ARG 436 Ca 0.19 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.88 3h1h h ARG 436 Cb 0.56 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.78 3h1h h ARG 436 CO -0.71 0.20 0.30 0.82 0.56 0.00 0.00 179.97 181.14 3h1h h ILE 437 N 0.31 1.18 -0.63 2.04 2.04 -0.63 -1.71 117.51 120.11 3h1h h ILE 437 Ca 0.20 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3h1h h ILE 437 Cb 0.20 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3h1h h ILE 437 CO -0.21 0.20 0.24 -0.09 0.00 0.00 0.00 178.15 178.30 3h1h h ARG 438 N 0.81 0.93 0.00 2.37 9.65 0.13 -1.68 114.38 126.59 3h1h h ARG 438 Ca 0.20 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3h1h h ARG 438 Cb 0.04 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 3h1h h ARG 438 CO -0.03 0.77 0.00 0.43 2.80 0.00 0.00 179.97 183.94 3h1h n SER 439 N -4.31 0.54 0.00 -3.80 7.64 -0.68 -1.76 113.62 111.26 3h1h n SER 439 Ca 0.05 0.58 0.07 0.00 1.01 0.00 0.00 58.87 60.58 3h1h n SER 439 Cb 0.18 -0.71 0.42 0.00 -1.01 0.00 0.00 64.21 63.08 3h1h n SER 439 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h1h n GLY 440 N 0.86 -0.94 1.00 0.23 0.00 -0.63 -3.17 105.19 102.54 3h1h n GLY 440 Ca 0.05 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.06 3h1h n GLY 440 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3h1h n MET 441 N -0.73 2.36 -3.53 1.61 2.00 -0.72 -4.80 117.12 113.31 3h1h n MET 441 Ca 0.11 -1.86 -0.18 0.00 0.00 0.00 0.00 57.70 55.76 3h1h n MET 441 Cb 0.05 -1.47 -0.06 0.00 0.00 0.00 0.00 33.22 31.73 3h1h n MET 441 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 3h1h s TYR 442 N -1.44 -0.66 -0.03 2.03 -0.85 -1.19 -0.42 117.35 114.79 3h1h s TYR 442 Ca 0.34 1.17 -0.02 0.00 -0.52 0.00 0.00 57.07 58.04 3h1h s TYR 442 Cb 0.19 0.40 0.01 0.00 0.38 0.00 0.00 41.96 42.94 3h1h s TYR 442 CO 0.21 -0.59 0.04 1.87 -1.52 0.00 0.00 175.55 175.56 3h1h n TRP 443 N 1.02 -0.85 0.00 -3.49 -0.00 -1.26 -5.04 117.44 107.82 3h1h n TRP 443 Ca -0.19 0.49 0.00 0.00 -0.00 0.00 0.00 57.50 57.81 3h1h n TRP 443 Cb 0.57 -1.98 0.00 0.00 -0.00 0.00 0.00 31.31 29.90 3h1h n TRP 443 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 177.69 178.13