#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l2h h THR 3 N 0.00 0.44 0.00 2.12 1.35 -2.04 -3.03 112.91 111.75 3l2h h THR 3 Ca 0.00 -0.71 -0.02 0.00 -0.55 0.00 0.00 66.41 65.13 3l2h h THR 3 Cb 0.00 1.50 -0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3l2h h THR 3 CO 0.00 0.13 -0.07 -0.09 -0.25 0.00 0.00 175.52 175.24 3l2h h ARG 4 N 0.00 0.00 0.00 4.72 9.65 -2.06 -1.93 114.38 124.76 3l2h h ARG 4 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3l2h h ARG 4 Cb 0.49 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 3l2h h ARG 4 CO 0.02 0.07 0.00 0.87 2.80 0.00 0.00 179.97 183.73 3l2h h LYS 5 N 0.00 0.00 0.00 0.20 6.56 -1.97 -2.14 116.57 119.22 3l2h h LYS 5 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3l2h h LYS 5 Cb 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 3l2h h LYS 5 CO 0.01 0.00 -0.42 1.28 -2.06 0.00 0.00 179.45 178.26 3l2h n LEU 6 N -2.62 0.64 -4.61 2.94 4.77 -0.73 -4.60 117.00 112.79 3l2h n LEU 6 Ca -0.01 0.29 -0.35 0.00 -0.03 0.00 0.00 56.01 55.91 3l2h n LEU 6 Cb 0.10 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 40.84 3l2h n LEU 6 CO 0.16 -0.05 -0.26 -0.22 -1.33 0.00 0.00 177.39 175.69 3l2h s LEU 7 N -4.01 3.76 -0.30 2.23 2.96 -0.81 -4.93 118.68 117.58 3l2h s LEU 7 Ca 0.08 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3l2h s LEU 7 Cb 0.14 -1.95 0.05 0.00 0.50 0.00 0.00 46.19 44.93 3l2h s LEU 7 CO 0.68 0.16 -0.01 -0.76 -1.32 0.00 0.00 176.35 175.10 3l2h s LEU 8 N 0.47 3.88 0.78 -0.68 1.43 -1.26 -4.99 118.68 118.30 3l2h s LEU 8 Ca 0.03 -1.29 -0.11 0.00 -1.03 0.00 0.00 54.13 51.73 3l2h s LEU 8 Cb -0.13 -1.70 0.06 0.00 0.03 0.00 0.00 46.19 44.46 3l2h s LEU 8 CO 0.01 -0.26 1.10 0.42 0.23 0.00 0.00 176.35 177.85 3l2h s THR 9 N 1.24 3.20 0.33 5.49 -4.23 -1.26 -4.79 115.64 115.62 3l2h s THR 9 Ca -0.05 0.40 0.10 0.00 -1.18 0.00 0.00 61.69 60.95 3l2h s THR 9 Cb -0.20 -2.84 0.32 0.00 1.34 0.00 0.00 72.50 71.12 3l2h s THR 9 CO -0.01 -0.50 1.76 0.00 -0.54 0.00 0.00 174.62 175.32 3l2h h ALA 10 N -1.14 1.83 -0.29 3.99 0.00 -1.99 0.96 119.26 122.62 3l2h h ALA 10 Ca -0.44 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 3l2h h ALA 10 Cb 1.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3l2h h ALA 10 CO 0.51 -0.25 -0.48 1.96 0.00 0.00 0.00 179.25 180.99 3l2h h GLN 11 N 0.62 0.78 -0.63 0.00 7.50 -1.99 -0.20 115.11 121.19 3l2h h GLN 11 Ca 0.61 -0.45 -0.05 0.00 0.50 0.00 0.00 58.65 59.26 3l2h h GLN 11 Cb 1.14 0.04 -0.03 0.00 0.05 0.00 0.00 27.48 28.68 3l2h h GLN 11 CO -0.40 1.08 0.21 0.93 -1.50 0.00 0.00 178.83 179.16 3l2h h GLU 12 N 0.62 0.97 -0.58 1.46 5.08 -1.61 -1.81 114.58 118.70 3l2h h GLU 12 Ca 0.03 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 3l2h h GLU 12 Cb 1.05 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 3l2h h GLU 12 CO 0.10 0.84 0.19 0.82 -1.00 0.00 0.00 179.01 179.97 3l2h h ILE 13 N 0.90 1.24 -0.79 3.13 2.04 -0.65 -2.52 117.51 120.85 3l2h h ILE 13 Ca 0.21 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.33 3l2h h ILE 13 Cb 0.27 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3l2h h ILE 13 CO -0.01 0.30 0.52 0.28 0.00 0.00 0.00 178.15 179.24 3l2h h SER 14 N 0.81 0.78 -1.25 1.72 0.02 -0.83 -3.46 113.55 111.36 3l2h h SER 14 Ca 0.19 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.53 3l2h h SER 14 Cb 0.27 -0.17 -0.11 0.00 0.14 0.00 0.00 62.40 62.53 3l2h h SER 14 CO -0.01 0.52 1.44 -0.13 -1.14 0.00 0.00 176.83 177.51 3l2h s ARG 15 N -5.78 3.60 -0.03 3.45 0.52 -0.70 -5.08 118.95 114.92 3l2h s ARG 15 Ca -0.11 -1.20 -0.00 0.00 -0.52 0.00 0.00 55.73 53.90 3l2h s ARG 15 Cb 0.19 -5.31 -0.02 0.00 0.52 0.00 0.00 34.95 30.33 3l2h s ARG 15 CO 0.78 -2.16 -0.03 1.63 0.02 0.00 0.00 175.30 175.54 3l2h n LYS 17 N 8.63 0.08 0.00 3.54 4.01 -1.26 -5.09 118.16 128.06 3l2h n LYS 17 Ca 0.32 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 58.14 3l2h n LYS 17 Cb 0.51 -0.97 0.00 0.00 -0.51 0.00 0.00 35.03 34.05 3l2h n LYS 17 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3l2h n GLY 18 N 3.23 -1.96 3.46 0.72 0.00 -1.26 -4.96 105.19 104.41 3l2h n GLY 18 Ca -0.06 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 3l2h n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3l2h s GLU 19 N -3.00 2.85 -0.07 1.61 2.02 0.97 -4.86 118.70 118.22 3l2h s GLU 19 Ca 0.00 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 3l2h s GLU 19 Cb 0.00 -2.50 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 3l2h s GLU 19 CO 0.00 0.49 1.18 -1.58 0.02 0.00 0.00 175.26 175.37 3l2h s HIS 20 N -0.36 3.20 -0.05 1.61 5.65 -1.26 -0.43 115.29 123.65 3l2h s HIS 20 Ca 0.04 1.24 0.03 0.00 0.25 0.00 0.00 55.06 56.63 3l2h s HIS 20 Cb -0.12 -3.40 0.00 0.00 -1.18 0.00 0.00 32.58 27.88 3l2h s HIS 20 CO 0.02 -1.21 -0.14 0.15 -0.65 0.00 0.00 174.74 172.91 3l2h s LYS 21 N 2.29 1.63 -0.09 2.88 -0.14 0.20 -4.96 119.74 121.55 3l2h s LYS 21 Ca 0.55 -0.49 0.02 0.00 -1.36 0.00 0.00 55.97 54.69 3l2h s LYS 21 Cb -0.24 -1.39 0.01 0.00 -1.68 0.00 0.00 37.83 34.53 3l2h s LYS 21 CO 0.21 0.14 -0.17 0.08 -0.76 0.00 0.00 175.35 174.85 3l2h s VAL 22 N 0.28 1.56 0.27 3.17 1.01 -1.26 -1.45 120.40 123.99 3l2h s VAL 22 Ca -0.08 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 3l2h s VAL 22 Cb -0.12 -1.39 -0.10 0.00 0.00 0.00 0.00 36.38 34.76 3l2h s VAL 22 CO 0.03 0.45 1.46 -2.28 0.00 0.00 0.00 175.10 174.76 3l2h s HIS 23 N 0.72 2.95 0.32 5.22 2.46 -0.47 -4.90 115.29 121.60 3l2h s HIS 23 Ca -0.12 1.02 0.36 0.00 0.47 0.00 0.00 55.06 56.79 3l2h s HIS 23 Cb -0.16 -3.87 1.93 0.00 -0.13 0.00 0.00 32.58 30.36 3l2h s HIS 23 CO 0.03 -2.79 2.10 0.27 -2.47 0.00 0.00 174.74 171.87 3l2h h PHE 24 N 4.76 0.00 -0.02 3.88 -0.00 -2.00 -2.12 116.94 121.44 3l2h h PHE 24 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.50 3l2h h PHE 24 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.17 3l2h h PHE 24 CO 0.59 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 180.18 3l2h n LEU 25 N -2.77 1.65 -3.40 2.10 4.77 -1.26 -4.93 117.00 113.15 3l2h n LEU 25 Ca -0.02 -1.05 -0.17 0.00 -0.03 0.00 0.00 56.01 54.74 3l2h n LEU 25 Cb 0.07 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 3l2h n LEU 25 CO 0.17 0.34 -0.17 0.21 -1.33 0.00 0.00 177.39 176.61 3l2h s ASN 26 N -0.62 1.52 0.57 -1.43 3.84 -0.80 -4.98 114.94 113.03 3l2h s ASN 26 Ca 0.09 -0.63 0.38 0.00 0.21 0.00 0.00 52.86 52.91 3l2h s ASN 26 Cb 0.06 0.55 1.95 0.00 -0.55 0.00 0.00 41.25 43.27 3l2h s ASN 26 CO 0.09 -0.38 2.15 -0.65 -2.79 0.00 0.00 177.10 175.52 3l2h h PRO 27 N 8.26 0.00 -0.01 0.43 0.11 -1.92 -0.87 132.00 137.99 3l2h h PRO 27 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3l2h h PRO 27 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3l2h h PRO 27 CO 0.32 0.00 -0.08 0.41 -0.21 0.00 0.00 178.00 178.44 3l2h n GLY 28 N -0.85 -0.45 3.39 -0.55 0.00 -1.26 -4.57 105.19 100.90 3l2h n GLY 28 Ca -0.02 -0.37 -0.45 0.00 0.00 0.00 0.00 46.02 45.19 3l2h n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3l2h s ALA 29 N -2.21 4.33 -0.08 4.61 0.00 -0.33 -0.93 121.76 127.14 3l2h s ALA 29 Ca 0.34 -3.56 0.05 0.00 0.00 0.00 0.00 51.96 48.79 3l2h s ALA 29 Cb 0.21 -3.81 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 3l2h s ALA 29 CO 0.41 -2.47 -0.24 0.08 0.00 0.00 0.00 175.76 173.54 3l2h s VAL 30 N 0.18 2.12 0.12 0.00 1.01 -1.14 -1.36 120.40 121.32 3l2h s VAL 30 Ca 0.34 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 3l2h s VAL 30 Cb -0.07 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.52 3l2h s VAL 30 CO -0.05 0.56 0.27 -0.13 0.00 0.00 0.00 175.10 175.75 3l2h s ARG 31 N 0.12 1.01 -0.23 2.72 3.00 -0.52 -4.52 118.95 120.53 3l2h s ARG 31 Ca -0.12 -0.98 -0.08 0.00 0.00 0.00 0.00 55.73 54.55 3l2h s ARG 31 Cb -0.16 0.38 -0.04 0.00 0.00 0.00 0.00 34.95 35.14 3l2h s ARG 31 CO 0.07 -0.36 0.08 0.08 0.00 0.00 0.00 175.30 175.17 3l2h s VAL 32 N -3.89 4.59 -0.11 3.52 1.01 -0.49 -0.63 120.40 124.40 3l2h s VAL 32 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3l2h s VAL 32 Cb 0.04 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3l2h s VAL 32 CO -0.07 0.37 -0.12 0.21 0.00 0.00 0.00 175.10 175.48 3l2h s ASN 33 N 1.21 4.12 -0.27 3.32 2.47 0.43 -1.62 114.94 124.60 3l2h s ASN 33 Ca 0.05 -0.26 -0.01 0.00 0.42 0.00 0.00 52.86 53.06 3l2h s ASN 33 Cb -0.14 -1.42 0.04 0.00 -1.45 0.00 0.00 41.25 38.28 3l2h s ASN 33 CO 0.04 0.22 -0.04 -0.54 -3.72 0.00 0.00 177.10 173.05 3l2h s LYS 34 N 0.03 2.51 -0.77 0.43 1.02 0.06 -0.02 119.74 122.99 3l2h s LYS 34 Ca -0.04 -1.20 -0.21 0.00 0.02 0.00 0.00 55.97 54.55 3l2h s LYS 34 Cb -0.14 -3.05 0.09 0.00 -0.52 0.00 0.00 37.83 34.21 3l2h s LYS 34 CO 0.04 -0.54 1.04 0.45 -0.92 0.00 0.00 175.35 175.42 3l2h s SER 35 N 1.24 6.36 0.16 2.83 0.15 -1.26 -0.85 113.70 122.32 3l2h s SER 35 Ca -0.04 -1.41 -0.12 0.00 0.70 0.00 0.00 55.95 55.08 3l2h s SER 35 Cb -0.19 -2.42 0.03 0.00 -1.71 0.00 0.00 66.02 61.74 3l2h s SER 35 CO -0.03 -1.30 1.62 -0.07 1.20 0.00 0.00 173.24 174.66 3l2h h LEU 36 N 11.04 0.88 -0.62 3.45 3.38 -1.49 -2.24 115.31 129.70 3l2h h LEU 36 Ca -0.10 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3l2h h LEU 36 Cb 1.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3l2h h LEU 36 CO 1.16 0.95 0.29 1.23 0.09 0.00 0.00 178.44 182.17 3l2h h GLY 37 N 0.77 0.97 1.77 0.83 0.00 -1.69 -2.71 103.07 103.01 3l2h h GLY 37 Ca 0.15 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 3l2h h GLY 37 CO 0.02 0.46 -0.29 -0.55 0.00 0.00 0.00 176.54 176.19 3l2h h ASP 38 N 0.86 0.27 0.11 0.19 3.32 -1.76 0.24 116.42 119.66 3l2h h ASP 38 Ca 0.21 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 3l2h h ASP 38 Cb 0.13 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3l2h h ASP 38 CO -0.03 0.56 -0.16 0.00 -1.72 0.00 0.00 179.24 177.89 3l2h h ALA 39 N 1.46 1.59 -0.01 3.45 0.00 -1.08 -2.85 119.26 121.82 3l2h h ALA 39 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3l2h h ALA 39 Cb 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3l2h h ALA 39 CO 0.05 0.30 -0.63 1.33 0.00 0.00 0.00 179.25 180.30 3l2h n VAL 40 N -4.29 0.00 0.00 0.00 0.24 -1.05 -4.97 118.33 108.26 3l2h n VAL 40 Ca -0.02 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3l2h n VAL 40 Cb 0.26 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 3l2h n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3l2h n GLY 41 N 1.36 1.04 3.76 7.63 0.00 -0.54 -4.82 105.19 113.62 3l2h n GLY 41 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3l2h n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3l2h s LEU 42 N 0.00 4.41 -0.01 0.99 1.43 -0.04 -4.94 118.68 120.52 3l2h s LEU 42 Ca 0.00 2.68 0.04 0.00 -1.03 0.00 0.00 54.13 55.83 3l2h s LEU 42 Cb 0.00 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 3l2h s LEU 42 CO 0.00 -0.59 0.10 0.54 0.23 0.00 0.00 176.35 176.62 3l2h n ARG 43 N 1.29 0.25 -1.15 1.70 1.74 -1.26 -4.44 116.66 114.79 3l2h n ARG 43 Ca 0.02 -0.04 -0.19 0.00 -0.77 0.00 0.00 57.85 56.87 3l2h n ARG 43 Cb 0.41 -1.11 0.16 0.00 -1.02 0.00 0.00 32.46 30.91 3l2h n ARG 43 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3l2h n HIS 44 N -1.67 2.40 -3.79 -1.55 8.25 -1.26 -4.79 115.22 112.81 3l2h n HIS 44 Ca -0.01 -1.98 -0.14 0.00 -0.26 0.00 0.00 57.72 55.33 3l2h n HIS 44 Cb 0.14 -0.84 -0.15 0.00 1.12 0.00 0.00 29.99 30.26 3l2h n HIS 44 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3l2h s GLY 46 N -1.96 0.05 -0.22 -1.41 0.00 0.52 -0.97 107.32 103.34 3l2h s GLY 46 Ca 0.54 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 45.52 3l2h s GLY 46 CO 0.05 0.58 0.06 -0.42 0.00 0.00 0.00 173.10 173.36 3l2h s ILE 47 N 0.83 0.50 -0.04 0.90 1.01 -1.26 -0.64 121.20 122.50 3l2h s ILE 47 Ca -0.07 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 59.96 3l2h s ILE 47 Cb -0.10 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 3l2h s ILE 47 CO -0.03 -0.33 -0.22 -1.00 0.00 0.00 0.00 174.94 173.37 3l2h s HIS 48 N 1.86 2.07 -0.30 3.97 3.76 0.05 -1.10 115.29 125.59 3l2h s HIS 48 Ca 0.02 -0.54 -0.13 0.00 -0.15 0.00 0.00 55.06 54.26 3l2h s HIS 48 Cb -0.17 -1.36 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 3l2h s HIS 48 CO -0.13 -0.14 0.26 -1.17 -0.85 0.00 0.00 174.74 172.71 3l2h s LEU 49 N -0.21 4.22 0.11 0.89 2.96 -0.03 -0.14 118.68 126.49 3l2h s LEU 49 Ca 0.00 -0.11 0.10 0.00 -0.22 0.00 0.00 54.13 53.91 3l2h s LEU 49 Cb -0.11 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 3l2h s LEU 49 CO 0.02 -0.17 -0.26 0.27 -1.32 0.00 0.00 176.35 174.89 3l2h s ILE 50 N 1.84 2.31 -0.13 6.68 -4.36 0.57 -0.76 121.20 127.36 3l2h s ILE 50 Ca 0.09 -1.67 0.02 0.00 -0.26 0.00 0.00 60.65 58.83 3l2h s ILE 50 Cb -0.16 -2.01 0.01 0.00 1.25 0.00 0.00 42.46 41.55 3l2h s ILE 50 CO 0.11 0.14 -0.19 -1.10 0.24 0.00 0.00 174.94 174.14 3l2h s GLN 51 N -1.93 2.66 -0.17 0.37 -0.21 -0.64 -1.43 119.66 118.31 3l2h s GLN 51 Ca 0.14 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 54.81 3l2h s GLN 51 Cb -0.10 -2.21 0.02 0.00 1.00 0.00 0.00 33.01 31.72 3l2h s GLN 51 CO 0.06 -0.05 -0.20 0.42 -2.12 0.00 0.00 175.29 173.40 3l2h s ILE 52 N 0.93 2.10 0.55 1.08 1.01 -0.05 -1.40 121.20 125.42 3l2h s ILE 52 Ca -0.06 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 3l2h s ILE 52 Cb -0.15 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3l2h s ILE 52 CO -0.03 0.54 0.90 -1.61 0.00 0.00 0.00 174.94 174.74 3l2h s GLU 53 N 1.22 3.55 0.26 2.79 0.41 -1.26 -1.10 118.70 124.56 3l2h s GLU 53 Ca 0.03 0.45 -0.30 0.00 -0.41 0.00 0.00 54.97 54.74 3l2h s GLU 53 Cb -0.13 -2.24 -0.14 0.00 -1.78 0.00 0.00 34.13 29.84 3l2h s GLU 53 CO -0.11 -0.39 1.22 -2.30 -0.49 0.00 0.00 175.26 173.19 3l2h n PRO 54 N -2.50 1.68 -0.52 0.39 -0.02 -1.26 -1.67 135.00 131.10 3l2h n PRO 54 Ca 0.03 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3l2h n PRO 54 Cb 0.55 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3l2h n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3l2h n GLY 55 N 1.61 1.16 3.77 -1.23 0.00 0.91 -5.03 105.19 106.38 3l2h n GLY 55 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 3l2h n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l2h s LYS 56 N -0.30 2.29 0.29 1.61 -0.14 -0.67 -4.93 119.74 117.89 3l2h s LYS 56 Ca 0.00 -1.77 0.10 0.00 -1.36 0.00 0.00 55.97 52.95 3l2h s LYS 56 Cb 0.00 -2.07 -0.05 0.00 -1.68 0.00 0.00 37.83 34.03 3l2h s LYS 56 CO 0.00 -0.12 -0.15 -1.21 -0.76 0.00 0.00 175.35 173.11 3l2h s GLU 57 N -3.95 1.66 0.38 1.68 2.02 -0.11 -1.24 118.70 119.15 3l2h s GLU 57 Ca 0.42 -1.79 0.21 0.00 0.02 0.00 0.00 54.97 53.83 3l2h s GLU 57 Cb 0.02 -1.61 0.25 0.00 0.10 0.00 0.00 34.13 32.89 3l2h s GLU 57 CO 0.24 0.23 1.52 0.66 0.02 0.00 0.00 175.26 177.92 3l2h h SER 58 N 2.24 0.00 -5.75 -0.19 4.64 -0.99 -3.02 113.55 110.48 3l2h h SER 58 Ca -0.40 0.00 0.31 0.00 -0.47 0.00 0.00 61.79 61.23 3l2h h SER 58 Cb 1.25 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.26 3l2h h SER 58 CO 0.64 0.09 0.83 0.28 -0.87 0.00 0.00 176.83 177.80 3l2h s THR 59 N -3.18 0.00 -0.10 2.95 -1.32 -1.26 -4.92 115.64 107.81 3l2h s THR 59 Ca 0.06 -0.25 -0.18 0.00 -1.21 0.00 0.00 61.69 60.10 3l2h s THR 59 Cb 0.06 -2.65 -0.04 0.00 -1.51 0.00 0.00 72.50 68.36 3l2h s THR 59 CO 0.70 0.00 0.50 -0.70 -2.21 0.00 0.00 174.62 172.90 3l2h s GLU 60 N -2.18 4.32 -0.47 7.08 2.56 -1.26 -4.76 118.70 123.98 3l2h s GLU 60 Ca 0.24 0.50 -0.47 0.00 0.00 0.00 0.00 54.97 55.24 3l2h s GLU 60 Cb 0.01 -3.42 -0.20 0.00 2.00 0.00 0.00 34.13 32.52 3l2h s GLU 60 CO -0.01 0.20 1.57 0.98 -0.56 0.00 0.00 175.26 177.45 3l2h n TYR 61 N 3.49 1.70 -3.85 5.30 9.36 -1.26 -4.88 117.16 127.03 3l2h n TYR 61 Ca -0.07 1.14 -0.09 0.00 3.32 0.00 0.00 57.90 62.20 3l2h n TYR 61 Cb 0.52 -2.22 -0.04 0.00 -0.63 0.00 0.00 39.34 36.96 3l2h n TYR 61 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 3l2h s HIS 62 N 2.84 0.07 -0.07 2.98 -3.43 -0.93 -3.99 115.29 112.75 3l2h s HIS 62 Ca 1.04 -0.43 -0.03 0.00 -0.80 0.00 0.00 55.06 54.84 3l2h s HIS 62 Cb -1.49 0.32 0.04 0.00 -1.43 0.00 0.00 32.58 30.02 3l2h s HIS 62 CO 0.81 -0.95 0.14 -1.17 -2.00 0.00 0.00 174.74 171.57 3l2h s LEU 63 N -2.93 0.18 0.15 5.38 2.96 -0.46 -1.29 118.68 122.67 3l2h s LEU 63 Ca 0.14 0.28 -0.17 0.00 -0.22 0.00 0.00 54.13 54.16 3l2h s LEU 63 Cb -0.01 0.23 -0.07 0.00 0.50 0.00 0.00 46.19 46.84 3l2h s LEU 63 CO 0.02 -0.22 0.60 -1.00 -1.32 0.00 0.00 176.35 174.43 3l2h s HIS 64 N 1.96 3.68 -0.12 5.38 3.76 -1.26 -0.77 115.29 127.92 3l2h s HIS 64 Ca -0.00 1.21 0.16 0.00 -0.15 0.00 0.00 55.06 56.28 3l2h s HIS 64 Cb -0.12 -2.47 -0.23 0.00 1.11 0.00 0.00 32.58 30.87 3l2h s HIS 64 CO -0.05 0.45 0.44 0.72 -0.85 0.00 0.00 174.74 175.45 3l2h n HIS 65 N 1.04 0.53 0.00 1.40 -0.00 0.12 -1.54 115.22 116.76 3l2h n HIS 65 Ca -0.06 0.19 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 3l2h n HIS 65 Cb 0.51 -1.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.45 3l2h n HIS 65 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3l2h n TYR 66 N -2.85 0.00 -3.29 4.41 4.01 -1.26 -4.62 117.16 113.56 3l2h n TYR 66 Ca -0.21 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.14 3l2h n TYR 66 Cb 1.02 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.99 3l2h n TYR 66 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3l2h s GLU 67 N -1.89 4.27 0.62 -0.72 2.02 -1.26 -4.94 118.70 116.80 3l2h s GLU 67 Ca 0.00 0.42 -0.14 0.00 0.02 0.00 0.00 54.97 55.27 3l2h s GLU 67 Cb 0.00 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.71 3l2h s GLU 67 CO 0.00 0.02 1.05 -1.21 0.02 0.00 0.00 175.26 175.13 3l2h s GLU 68 N 1.10 3.26 -0.08 1.61 2.02 -1.26 -4.71 118.70 120.63 3l2h s GLU 68 Ca 0.25 1.07 -0.18 0.00 0.02 0.00 0.00 54.97 56.13 3l2h s GLU 68 Cb -0.15 -2.03 0.04 0.00 0.10 0.00 0.00 34.13 32.09 3l2h s GLU 68 CO 0.10 -0.85 0.43 -2.00 0.02 0.00 0.00 175.26 172.96 3l2h s GLU 69 N -4.47 0.68 0.10 1.61 2.12 -1.20 -1.41 118.70 116.14 3l2h s GLU 69 Ca 0.61 0.21 -0.10 0.00 0.36 0.00 0.00 54.97 56.05 3l2h s GLU 69 Cb -0.14 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.57 3l2h s GLU 69 CO 0.43 -0.16 0.23 0.00 -0.54 0.00 0.00 175.26 175.22 3l2h s ALA 70 N -0.69 -0.31 -0.04 6.30 0.00 0.13 -0.71 121.76 126.43 3l2h s ALA 70 Ca -0.08 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.34 3l2h s ALA 70 Cb -0.03 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.65 3l2h s ALA 70 CO 0.04 -0.54 -0.04 0.08 0.00 0.00 0.00 175.76 175.30 3l2h s VAL 71 N -3.86 0.47 -0.17 0.00 1.01 -0.30 -0.60 120.40 116.95 3l2h s VAL 71 Ca 0.05 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3l2h s VAL 71 Cb 0.04 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.96 3l2h s VAL 71 CO -0.10 0.20 -0.17 -0.47 0.00 0.00 0.00 175.10 174.56 3l2h s TYR 72 N 0.78 2.53 -0.12 5.22 5.04 -0.26 -1.22 117.35 129.32 3l2h s TYR 72 Ca -0.10 -1.49 -0.28 0.00 -2.44 0.00 0.00 57.07 52.76 3l2h s TYR 72 Cb -0.13 -1.77 -0.02 0.00 0.35 0.00 0.00 41.96 40.39 3l2h s TYR 72 CO -0.00 -0.75 0.93 0.08 -1.34 0.00 0.00 175.55 174.46 3l2h s VAL 73 N 1.37 4.84 -0.22 3.14 1.01 -0.39 -0.95 120.40 129.19 3l2h s VAL 73 Ca 0.04 1.86 -0.03 0.00 0.00 0.00 0.00 61.98 63.86 3l2h s VAL 73 Cb -0.13 -4.24 -0.19 0.00 0.00 0.00 0.00 36.38 31.82 3l2h s VAL 73 CO -0.12 0.04 -0.07 0.18 0.00 0.00 0.00 175.10 175.13 3l2h n LEU 74 N 4.95 2.73 -3.53 3.92 4.77 0.35 -0.25 117.00 129.96 3l2h n LEU 74 Ca 0.06 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 3l2h n LEU 74 Cb 0.49 -0.96 -0.04 0.00 -2.33 0.00 0.00 43.42 40.58 3l2h n LEU 74 CO 0.50 0.85 0.32 -0.94 -1.33 0.00 0.00 177.39 176.79 3l2h s SER 75 N -6.78 -0.48 0.00 -1.43 1.04 -0.90 -4.70 113.70 100.45 3l2h s SER 75 Ca -0.32 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3l2h s SER 75 Cb 0.09 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3l2h s SER 75 CO 0.63 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.66 3l2h n GLY 76 N 0.13 -2.44 3.52 7.32 0.00 -1.25 -0.77 105.19 111.69 3l2h n GLY 76 Ca -0.18 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 3l2h n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l2h s LYS 77 N -0.79 1.88 0.36 1.61 1.02 -1.26 -3.69 119.74 118.86 3l2h s LYS 77 Ca 0.00 -1.23 -0.06 0.00 0.02 0.00 0.00 55.97 54.69 3l2h s LYS 77 Cb 0.00 -2.12 0.02 0.00 -0.52 0.00 0.00 37.83 35.21 3l2h s LYS 77 CO 0.00 0.46 0.57 0.20 -0.92 0.00 0.00 175.35 175.66 3l2h s GLY 78 N -2.43 1.15 -0.15 -3.33 0.00 -0.50 -4.45 107.32 97.61 3l2h s GLY 78 Ca 0.21 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.64 3l2h s GLY 78 CO 0.12 -0.79 -0.11 -1.59 0.00 0.00 0.00 173.10 170.73 3l2h s THR 79 N -2.83 1.40 -0.15 0.90 2.01 -0.08 -0.66 115.64 116.22 3l2h s THR 79 Ca 0.26 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 61.44 3l2h s THR 79 Cb -0.02 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 3l2h s THR 79 CO 0.18 0.36 0.62 -0.22 -0.69 0.00 0.00 174.62 174.87 3l2h s LEU 80 N 1.55 4.21 0.25 4.42 2.96 0.12 -1.18 118.68 131.01 3l2h s LEU 80 Ca 0.04 0.93 0.07 0.00 -0.22 0.00 0.00 54.13 54.95 3l2h s LEU 80 Cb -0.14 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 3l2h s LEU 80 CO -0.09 -0.18 0.18 -0.89 -1.32 0.00 0.00 176.35 174.04 3l2h s THR 81 N 1.38 4.38 0.00 3.68 2.01 0.44 -0.21 115.64 127.33 3l2h s THR 81 Ca 0.31 -1.41 0.00 0.00 0.31 0.00 0.00 61.69 60.89 3l2h s THR 81 Cb -0.16 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 68.99 3l2h s THR 81 CO 0.12 -0.33 0.00 -0.62 -0.69 0.00 0.00 174.62 173.10 3l2h n GLU 83 N -1.10 0.00 -1.70 4.92 -0.58 -0.35 -1.12 120.64 120.72 3l2h n GLU 83 Ca -0.08 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.46 3l2h n GLU 83 Cb 0.58 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.37 3l2h n GLU 83 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3l2h n ASN 84 N 0.00 -5.46 -4.40 1.62 3.02 -1.26 -4.98 115.26 103.80 3l2h n ASN 84 Ca 0.00 0.44 -0.26 0.00 -0.03 0.00 0.00 54.58 54.74 3l2h n ASN 84 Cb 0.00 -4.79 -0.12 0.00 -0.61 0.00 0.00 39.78 34.26 3l2h n ASN 84 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3l2h s ASP 85 N -2.65 3.26 -0.13 6.41 1.01 -1.26 -5.14 116.67 118.17 3l2h s ASP 85 Ca 0.00 -0.86 -0.00 0.00 0.71 0.00 0.00 52.55 52.40 3l2h s ASP 85 Cb 0.00 -0.23 -0.02 0.00 1.01 0.00 0.00 42.92 43.68 3l2h s ASP 85 CO 0.00 0.09 -0.13 -1.58 0.21 0.00 0.00 175.17 173.76 3l2h s GLN 86 N -2.67 3.37 -0.05 8.23 0.74 -1.26 -4.14 119.66 123.88 3l2h s GLN 86 Ca 0.19 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.94 3l2h s GLN 86 Cb -0.08 -2.64 0.02 0.00 1.10 0.00 0.00 33.01 31.42 3l2h s GLN 86 CO 0.09 0.23 -0.07 0.71 -0.55 0.00 0.00 175.29 175.70 3l2h s TYR 87 N 0.31 1.04 0.36 1.67 1.51 0.71 -4.97 117.35 117.98 3l2h s TYR 87 Ca -0.10 -0.35 -0.28 0.00 -1.01 0.00 0.00 57.07 55.34 3l2h s TYR 87 Cb -0.16 -0.84 -0.10 0.00 -0.11 0.00 0.00 41.96 40.76 3l2h s TYR 87 CO 0.05 -0.24 1.28 -1.25 -1.11 0.00 0.00 175.55 174.29 3l2h s PRO 88 N 0.87 4.23 0.17 -1.71 0.04 -1.26 0.16 135.00 137.50 3l2h s PRO 88 Ca -0.12 2.15 0.08 0.00 0.04 0.00 0.00 61.00 63.15 3l2h s PRO 88 Cb -0.15 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 3l2h s PRO 88 CO 0.01 -0.27 -0.16 0.96 0.04 0.00 0.00 177.00 177.58 3l2h s ILE 89 N -1.20 1.70 0.26 0.56 -4.36 0.16 -4.85 121.20 113.47 3l2h s ILE 89 Ca 0.52 -2.01 -0.20 0.00 -0.26 0.00 0.00 60.65 58.70 3l2h s ILE 89 Cb -0.38 -1.87 0.02 0.00 1.25 0.00 0.00 42.46 41.48 3l2h s ILE 89 CO 0.50 -0.45 0.66 0.00 0.24 0.00 0.00 174.94 175.89 3l2h s ALA 90 N -2.46 -1.13 0.24 2.27 0.00 -1.26 -1.41 121.76 118.01 3l2h s ALA 90 Ca 0.17 -0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.54 3l2h s ALA 90 Cb -0.03 0.88 -0.13 0.00 0.00 0.00 0.00 23.12 23.83 3l2h s ALA 90 CO 0.06 -0.97 1.42 -2.30 0.00 0.00 0.00 175.76 173.96 3l2h n PRO 91 N -0.43 2.05 -0.30 0.00 -0.02 -1.24 -1.69 135.00 133.36 3l2h n PRO 91 Ca -0.06 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3l2h n PRO 91 Cb 0.60 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3l2h n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3l2h n GLY 92 N 2.19 1.04 3.79 -1.23 0.00 0.66 -4.99 105.19 106.64 3l2h n GLY 92 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3l2h n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3l2h s ASP 93 N -3.00 7.18 -0.02 1.61 1.01 -0.68 -4.84 116.67 117.93 3l2h s ASP 93 Ca 0.00 1.84 0.05 0.00 0.71 0.00 0.00 52.55 55.15 3l2h s ASP 93 Cb 0.00 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 3l2h s ASP 93 CO 0.00 -0.18 -0.16 0.12 0.21 0.00 0.00 175.17 175.15 3l2h s PHE 94 N -1.73 1.50 -0.03 4.23 5.36 -1.26 -1.26 117.98 124.78 3l2h s PHE 94 Ca 0.54 -0.32 0.01 0.00 -0.96 0.00 0.00 56.93 56.20 3l2h s PHE 94 Cb -0.17 -0.98 0.02 0.00 -0.34 0.00 0.00 43.02 41.55 3l2h s PHE 94 CO 0.22 -0.06 -0.04 0.54 -1.46 0.00 0.00 175.22 174.42 3l2h s VAL 95 N -0.27 0.49 0.10 3.12 0.11 -0.35 -5.01 120.40 118.59 3l2h s VAL 95 Ca 0.04 -0.13 0.08 0.00 -2.93 0.00 0.00 61.98 59.03 3l2h s VAL 95 Cb -0.07 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 3l2h s VAL 95 CO -0.00 0.20 -0.20 -0.83 -3.33 0.00 0.00 175.10 170.94 3l2h s GLY 96 N 0.68 1.19 -0.46 6.54 0.00 -1.26 -1.15 107.32 112.86 3l2h s GLY 96 Ca -0.09 -1.22 0.03 0.00 0.00 0.00 0.00 44.72 43.44 3l2h s GLY 96 CO -0.00 -1.24 0.22 -1.36 0.00 0.00 0.00 173.10 170.73 3l2h s PHE 97 N -1.26 2.73 0.66 1.90 0.08 0.11 -5.01 117.98 117.19 3l2h s PHE 97 Ca 0.06 -2.82 -0.18 0.00 0.12 0.00 0.00 56.93 54.12 3l2h s PHE 97 Cb -0.10 -2.44 -0.01 0.00 -0.57 0.00 0.00 43.02 39.90 3l2h s PHE 97 CO 0.04 -0.78 1.20 -2.30 -0.10 0.00 0.00 175.22 173.28 3l2h n PRO 98 N 3.47 0.96 -1.66 0.24 -0.02 -1.26 -3.26 135.00 133.47 3l2h n PRO 98 Ca 0.06 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 3l2h n PRO 98 Cb 0.34 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3l2h n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3l2h n HIS 100 N 0.05 0.00 -0.01 0.00 8.25 -0.59 -4.89 115.22 118.04 3l2h n HIS 100 Ca 0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.36 3l2h n HIS 100 Cb 0.36 -1.49 -0.13 0.00 1.12 0.00 0.00 29.99 29.85 3l2h n HIS 100 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3l2h h ALA 101 N 0.00 -0.02 -1.89 -1.41 0.00 -1.73 -3.48 119.26 110.72 3l2h h ALA 101 Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.39 3l2h h ALA 101 Cb 0.49 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.09 3l2h h ALA 101 CO 0.00 0.18 0.10 0.00 0.00 0.00 0.00 179.25 179.53 3l2h s ALA 102 N -2.57 -1.97 0.34 0.00 0.00 -1.26 -5.04 121.76 111.25 3l2h s ALA 102 Ca -0.16 2.38 -0.27 0.00 0.00 0.00 0.00 51.96 53.91 3l2h s ALA 102 Cb -0.00 -1.50 -0.09 0.00 0.00 0.00 0.00 23.12 21.53 3l2h s ALA 102 CO 0.76 -0.38 1.08 0.00 0.00 0.00 0.00 175.76 177.23 3l2h s ALA 103 N 1.58 3.25 0.16 0.00 0.00 -1.26 -4.72 121.76 120.77 3l2h s ALA 103 Ca -0.10 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 3l2h s ALA 103 Cb -0.05 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3l2h s ALA 103 CO -0.19 -0.20 0.40 -3.38 0.00 0.00 0.00 175.76 172.39 3l2h s HIS 104 N -1.39 0.01 0.11 0.00 -0.00 -0.41 -1.21 115.29 112.40 3l2h s HIS 104 Ca 0.51 -0.36 -0.18 0.00 -0.00 0.00 0.00 55.06 55.03 3l2h s HIS 104 Cb -0.28 0.21 0.04 0.00 -0.00 0.00 0.00 32.58 32.55 3l2h s HIS 104 CO 0.35 -0.78 0.44 0.45 -0.00 0.00 0.00 174.74 175.20 3l2h s SER 105 N -2.88 -0.31 -0.05 7.38 0.15 -0.27 -2.19 113.70 115.54 3l2h s SER 105 Ca 0.09 -0.17 0.06 0.00 0.70 0.00 0.00 55.95 56.63 3l2h s SER 105 Cb 0.01 0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 64.80 3l2h s SER 105 CO -0.05 -0.83 -0.23 -0.63 1.20 0.00 0.00 173.24 172.70 3l2h s ILE 106 N -3.46 1.87 -0.03 6.45 1.01 -1.26 -0.42 121.20 125.36 3l2h s ILE 106 Ca 0.01 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3l2h s ILE 106 Cb 0.01 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.90 3l2h s ILE 106 CO -0.10 0.53 -0.12 -0.55 0.00 0.00 0.00 174.94 174.70 3l2h s SER 107 N -0.20 1.61 -0.65 3.58 0.15 -0.33 -0.33 113.70 117.54 3l2h s SER 107 Ca -0.01 -0.26 -0.20 0.00 0.70 0.00 0.00 55.95 56.18 3l2h s SER 107 Cb -0.12 -0.44 0.10 0.00 -1.71 0.00 0.00 66.02 63.84 3l2h s SER 107 CO 0.02 0.10 0.84 0.21 1.20 0.00 0.00 173.24 175.61 3l2h s ASN 108 N 0.14 6.23 -0.14 5.45 2.47 -0.37 -0.90 114.94 127.81 3l2h s ASN 108 Ca -0.03 -1.35 0.16 0.00 0.42 0.00 0.00 52.86 52.06 3l2h s ASN 108 Cb -0.10 -2.35 0.64 0.00 -1.45 0.00 0.00 41.25 37.99 3l2h s ASN 108 CO 0.01 -1.22 1.56 0.47 -3.72 0.00 0.00 177.10 174.20 3l2h n ASP 109 N 6.81 4.51 -1.92 -4.21 8.00 -1.26 -0.06 116.55 128.42 3l2h n ASP 109 Ca -0.04 -2.62 0.00 0.00 0.71 0.00 0.00 54.79 52.84 3l2h n ASP 109 Cb 0.44 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 3l2h n ASP 109 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3l2h n GLY 110 N 0.56 0.18 0.01 0.44 0.00 -1.26 -4.93 105.19 100.19 3l2h n GLY 110 Ca 0.23 -1.80 0.06 0.00 0.00 0.00 0.00 46.02 44.51 3l2h n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3l2h n THR 111 N -0.39 0.07 -3.13 2.61 -2.24 -1.26 -4.69 114.28 105.26 3l2h n THR 111 Ca 0.00 -0.32 -0.22 0.00 -2.27 0.00 0.00 64.05 61.24 3l2h n THR 111 Cb 0.00 0.12 0.01 0.00 -2.10 0.00 0.00 70.33 68.36 3l2h n THR 111 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3l2h s GLU 112 N -2.86 3.14 0.38 -0.78 2.02 -1.26 -4.85 118.70 114.49 3l2h s GLU 112 Ca -0.05 -0.54 -0.28 0.00 0.02 0.00 0.00 54.97 54.12 3l2h s GLU 112 Cb 0.08 -2.62 -0.11 0.00 0.10 0.00 0.00 34.13 31.59 3l2h s GLU 112 CO 0.54 -0.15 1.47 0.99 0.02 0.00 0.00 175.26 178.14 3l2h s THR 113 N -2.46 2.09 -0.27 3.63 2.01 -1.26 -4.35 115.64 115.03 3l2h s THR 113 Ca 0.46 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 62.45 3l2h s THR 113 Cb -0.10 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 3l2h s THR 113 CO 0.36 0.02 0.18 -0.22 -0.69 0.00 0.00 174.62 174.28 3l2h s LEU 114 N -2.11 4.02 -0.16 4.42 2.96 -0.26 -3.96 118.68 123.59 3l2h s LEU 114 Ca 0.53 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 3l2h s LEU 114 Cb -0.46 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.12 3l2h s LEU 114 CO 0.62 -0.02 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.81 3l2h s VAL 115 N 1.61 2.85 0.12 1.68 1.01 0.05 -0.87 120.40 126.84 3l2h s VAL 115 Ca 0.07 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3l2h s VAL 115 Cb -0.15 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3l2h s VAL 115 CO 0.09 0.50 -0.08 0.00 0.00 0.00 0.00 175.10 175.61 3l2h s LEU 117 N -3.02 4.02 -0.13 0.00 1.43 -0.13 -0.31 118.68 120.53 3l2h s LEU 117 Ca 0.13 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 3l2h s LEU 117 Cb 0.03 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 3l2h s LEU 117 CO -0.02 0.12 -0.09 -0.69 0.23 0.00 0.00 176.35 175.90 3l2h s VAL 118 N 0.73 3.44 -0.11 -1.59 1.01 0.80 -1.11 120.40 123.57 3l2h s VAL 118 Ca 0.06 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3l2h s VAL 118 Cb -0.13 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.81 3l2h s VAL 118 CO 0.02 0.52 -0.13 -0.63 0.00 0.00 0.00 175.10 174.88 3l2h s ILE 119 N 0.23 1.33 0.05 2.22 1.01 0.23 -0.77 121.20 125.50 3l2h s ILE 119 Ca -0.06 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 3l2h s ILE 119 Cb -0.15 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 3l2h s ILE 119 CO 0.04 0.41 0.13 -0.83 0.00 0.00 0.00 174.94 174.70 3l2h s GLY 120 N 1.21 0.13 0.59 6.18 0.00 0.19 0.17 107.32 115.80 3l2h s GLY 120 Ca -0.03 -0.51 -0.17 0.00 0.00 0.00 0.00 44.72 44.02 3l2h s GLY 120 CO -0.04 -0.66 1.09 1.20 0.00 0.00 0.00 173.10 174.68 3l2h s GLN 121 N -2.82 3.21 -0.26 2.90 -0.21 -0.50 -0.35 119.66 121.63 3l2h s GLN 121 Ca -0.03 1.37 0.02 0.00 0.02 0.00 0.00 55.36 56.74 3l2h s GLN 121 Cb 0.00 -2.01 0.05 0.00 1.00 0.00 0.00 33.01 32.06 3l2h s GLN 121 CO -0.05 -0.92 -0.11 1.03 -2.12 0.00 0.00 175.29 173.12 3l2h s ARG 122 N -3.81 2.37 0.18 2.91 0.52 -0.15 -4.66 118.95 116.31 3l2h s ARG 122 Ca 0.67 -1.27 0.11 0.00 -0.52 0.00 0.00 55.73 54.72 3l2h s ARG 122 Cb -0.19 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 3l2h s ARG 122 CO 0.34 -0.53 -0.23 -0.51 0.02 0.00 0.00 175.30 174.39 3l2h s LEU 123 N 1.15 2.46 0.39 2.53 1.43 -1.26 -4.70 118.68 120.67 3l2h s LEU 123 Ca -0.07 -0.83 0.20 0.00 -1.03 0.00 0.00 54.13 52.40 3l2h s LEU 123 Cb -0.19 -1.21 0.74 0.00 0.03 0.00 0.00 46.19 45.55 3l2h s LEU 123 CO -0.05 0.13 1.76 0.44 0.23 0.00 0.00 176.35 178.85 3l2h h ASP 124 N 3.28 0.00 -3.52 2.29 3.32 -1.99 -3.43 116.42 116.37 3l2h h ASP 124 Ca -0.47 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.02 3l2h h ASP 124 Cb 1.20 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.42 3l2h h ASP 124 CO 0.47 0.34 -0.83 -1.10 -1.72 0.00 0.00 179.24 176.40 3l2h s GLN 125 N -3.64 2.00 0.16 3.56 -0.21 -1.26 -0.64 119.66 119.63 3l2h s GLN 125 Ca 0.00 -0.56 -0.12 0.00 0.02 0.00 0.00 55.36 54.70 3l2h s GLN 125 Cb 0.11 -1.63 0.00 0.00 1.00 0.00 0.00 33.01 32.50 3l2h s GLN 125 CO 0.68 0.11 0.34 0.34 -2.12 0.00 0.00 175.29 174.64 3l2h s ASP 126 N 0.44 -0.05 -0.05 5.90 2.15 -0.56 -4.80 116.67 119.70 3l2h s ASP 126 Ca -0.13 -0.70 0.03 0.00 0.43 0.00 0.00 52.55 52.18 3l2h s ASP 126 Cb -0.15 0.46 0.01 0.00 -0.30 0.00 0.00 42.92 42.94 3l2h s ASP 126 CO 0.04 -0.91 -0.12 -0.69 -0.17 0.00 0.00 175.17 173.32 3l2h s VAL 127 N -3.92 1.09 -0.09 1.11 1.01 -1.26 -0.96 120.40 117.38 3l2h s VAL 127 Ca 0.12 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 3l2h s VAL 127 Cb 0.02 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.45 3l2h s VAL 127 CO -0.03 0.34 -0.06 -0.69 0.00 0.00 0.00 175.10 174.66 3l2h s VAL 128 N 0.42 0.80 0.08 2.92 1.01 0.11 -0.70 120.40 125.04 3l2h s VAL 128 Ca -0.09 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 3l2h s VAL 128 Cb -0.13 -0.84 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 3l2h s VAL 128 CO 0.02 0.32 0.44 -1.81 0.00 0.00 0.00 175.10 174.07 3l2h s ASP 129 N 1.58 6.72 -0.58 3.32 1.01 0.05 -0.56 116.67 128.22 3l2h s ASP 129 Ca 0.01 0.90 0.04 0.00 0.71 0.00 0.00 52.55 54.21 3l2h s ASP 129 Cb -0.13 -2.22 0.15 0.00 1.01 0.00 0.00 42.92 41.73 3l2h s ASP 129 CO -0.05 0.19 0.35 -0.31 0.21 0.00 0.00 175.17 175.56 3l2h s TYR 130 N -1.35 3.09 0.44 4.23 2.02 -0.43 -1.35 117.35 123.99 3l2h s TYR 130 Ca 0.32 -3.11 0.09 0.00 -0.37 0.00 0.00 57.07 54.01 3l2h s TYR 130 Cb -0.15 -2.58 0.96 0.00 -0.40 0.00 0.00 41.96 39.80 3l2h s TYR 130 CO 0.17 -0.68 2.07 -1.35 -1.57 0.00 0.00 175.55 174.20 3l2h h PRO 131 N 6.07 0.38 0.00 -1.71 0.11 -1.82 -0.27 132.00 134.76 3l2h h PRO 131 Ca 0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3l2h h PRO 131 Cb 0.84 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3l2h h PRO 131 CO 0.66 0.27 0.00 -0.91 -0.21 0.00 0.00 178.00 177.81 3l2h h ASN 132 N 0.39 0.00 0.04 -2.05 2.35 -1.95 -2.74 115.58 111.62 3l2h h ASN 132 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3l2h h ASN 132 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3l2h h ASN 132 CO -0.02 0.00 -0.58 0.00 -1.65 0.00 0.00 177.43 175.18 3l2h n GLN 133 N -3.02 0.83 -3.84 0.81 1.13 -0.32 -4.99 117.38 107.97 3l2h n GLN 133 Ca 0.02 -0.67 -0.27 0.00 -1.94 0.00 0.00 57.00 54.15 3l2h n GLN 133 Cb 0.41 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.30 3l2h n GLN 133 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3l2h n HIS 134 N -0.50 -2.13 -4.14 1.08 -0.00 -0.26 -5.00 115.22 104.26 3l2h n HIS 134 Ca 0.08 0.87 -0.12 0.00 0.46 0.00 0.00 57.72 59.02 3l2h n HIS 134 Cb 0.42 -4.11 -0.10 0.00 -0.12 0.00 0.00 29.99 26.08 3l2h n HIS 134 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3l2h s LYS 135 N -6.39 0.76 -0.05 1.57 1.02 -1.19 -4.46 119.74 111.00 3l2h s LYS 135 Ca 0.39 -1.16 0.03 0.00 0.02 0.00 0.00 55.97 55.26 3l2h s LYS 135 Cb -0.20 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 3l2h s LYS 135 CO 0.83 0.01 -0.15 0.50 -0.92 0.00 0.00 175.35 175.62 3l2h s ARG 136 N -3.11 1.70 -0.23 1.68 3.52 -0.39 -1.32 118.95 120.81 3l2h s ARG 136 Ca 0.05 -0.52 -0.07 0.00 -0.13 0.00 0.00 55.73 55.07 3l2h s ARG 136 Cb 0.00 -1.45 -0.03 0.00 -1.56 0.00 0.00 34.95 31.92 3l2h s ARG 136 CO -0.03 0.16 0.06 -1.17 -0.81 0.00 0.00 175.30 173.50 3l2h s LEU 137 N 0.26 3.47 -0.30 -0.88 2.96 0.28 -0.77 118.68 123.70 3l2h s LEU 137 Ca -0.08 -0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 53.57 3l2h s LEU 137 Cb -0.13 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 3l2h s LEU 137 CO 0.03 0.02 0.18 -0.31 -1.32 0.00 0.00 176.35 174.95 3l2h s TYR 138 N 1.29 3.20 -0.23 5.38 2.02 -0.12 -0.71 117.35 128.18 3l2h s TYR 138 Ca 0.05 -0.17 -0.02 0.00 -0.37 0.00 0.00 57.07 56.55 3l2h s TYR 138 Cb -0.15 -2.38 0.01 0.00 -0.40 0.00 0.00 41.96 39.04 3l2h s TYR 138 CO 0.03 -0.30 -0.07 0.50 -1.57 0.00 0.00 175.55 174.14 3l2h s ARG 139 N 1.70 3.06 -0.33 -0.62 3.52 -0.13 -1.03 118.95 125.12 3l2h s ARG 139 Ca 0.06 -0.83 -0.00 0.00 -0.13 0.00 0.00 55.73 54.83 3l2h s ARG 139 Cb -0.16 -2.93 0.11 0.00 -1.56 0.00 0.00 34.95 30.40 3l2h s ARG 139 CO 0.09 -0.30 0.12 -0.80 -0.81 0.00 0.00 175.30 173.60 3l2h s ASN 140 N 1.38 3.96 -1.34 -2.12 0.01 0.19 -1.50 114.94 115.52 3l2h s ASN 140 Ca 0.03 -1.79 -0.18 0.00 -0.71 0.00 0.00 52.86 50.21 3l2h s ASN 140 Cb -0.15 -0.88 0.02 0.00 0.41 0.00 0.00 41.25 40.65 3l2h s ASN 140 CO -0.05 -0.39 0.44 0.59 -1.51 0.00 0.00 177.10 176.18 3l2h n ASN 141 N 4.65 -2.17 0.00 -1.22 3.02 0.19 -1.48 115.26 118.25 3l2h n ASN 141 Ca -0.00 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 3l2h n ASN 141 Cb 0.41 -1.98 0.00 0.00 -0.61 0.00 0.00 39.78 37.60 3l2h n ASN 141 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3l2h n GLY 142 N -2.20 3.17 3.67 7.41 0.00 -1.26 -5.00 105.19 110.97 3l2h n GLY 142 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3l2h n GLY 142 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3l2h s GLU 143 N -0.44 4.30 -0.17 1.61 2.12 -0.55 -5.05 118.70 120.51 3l2h s GLU 143 Ca 0.00 1.01 -0.03 0.00 0.36 0.00 0.00 54.97 56.31 3l2h s GLU 143 Cb 0.00 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 3l2h s GLU 143 CO 0.00 -0.32 -0.05 -1.58 -0.54 0.00 0.00 175.26 172.76 3l2h s TRP 144 N 2.13 2.96 -0.18 5.30 0.52 -1.26 -0.64 118.94 127.77 3l2h s TRP 144 Ca 0.38 -0.55 0.00 0.00 0.02 0.00 0.00 56.10 55.96 3l2h s TRP 144 Cb -0.17 -1.99 0.04 0.00 -1.15 0.00 0.00 33.47 30.21 3l2h s TRP 144 CO 0.12 -0.23 -0.09 -0.80 0.02 0.00 0.00 176.95 175.98 3l2h s ASN 145 N 0.72 3.08 -0.20 2.95 0.02 -0.20 -5.01 114.94 116.30 3l2h s ASN 145 Ca -0.03 -0.75 -0.05 0.00 -1.02 0.00 0.00 52.86 51.02 3l2h s ASN 145 Cb -0.15 -1.10 -0.03 0.00 0.02 0.00 0.00 41.25 40.00 3l2h s ASN 145 CO 0.02 -0.15 0.01 -0.22 0.02 0.00 0.00 177.10 176.78 3l2h s LEU 146 N 1.50 3.32 -0.06 0.60 2.96 -1.26 -0.94 118.68 124.79 3l2h s LEU 146 Ca 0.00 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 3l2h s LEU 146 Cb -0.15 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.71 3l2h s LEU 146 CO -0.08 0.08 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.24 3l2h s VAL 147 N 0.91 0.96 0.00 1.68 1.01 0.05 -4.98 120.40 120.02 3l2h s VAL 147 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3l2h s VAL 147 Cb -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3l2h s VAL 147 CO 0.02 0.32 0.00 0.47 0.00 0.00 0.00 175.10 175.91 3l2h n ASP 148 N 3.97 0.00 0.00 3.32 9.92 -1.26 -1.26 116.55 131.24 3l2h n ASP 148 Ca -0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.04 3l2h n ASP 148 Cb 0.51 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 3l2h n ASP 148 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3l2h n ALA 150 N -3.00 0.00 0.42 2.24 0.00 -1.26 -3.50 120.51 115.41 3l2h n ALA 150 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3l2h n ALA 150 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 3l2h n ALA 150 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3l2h n ASP 151 N 0.00 3.00 -4.61 0.00 8.00 -1.26 -4.91 116.55 116.77 3l2h n ASP 151 Ca 0.00 -1.94 -0.38 0.00 0.71 0.00 0.00 54.79 53.18 3l2h n ASP 151 Cb 0.00 -0.28 -0.10 0.00 -0.02 0.00 0.00 41.12 40.73 3l2h n ASP 151 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3l2h s ILE 152 N -1.45 5.26 -0.33 0.53 1.01 -1.23 -5.05 121.20 119.94 3l2h s ILE 152 Ca 0.38 0.37 -0.14 0.00 0.00 0.00 0.00 60.65 61.26 3l2h s ILE 152 Cb 0.21 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 3l2h s ILE 152 CO 0.29 0.23 0.30 -0.60 0.00 0.00 0.00 174.94 175.16 3l2h s ARG 153 N 1.73 3.63 -0.05 2.79 3.52 -1.26 -5.06 118.95 124.25 3l2h s ARG 153 Ca 0.11 -0.44 -0.24 0.00 -0.13 0.00 0.00 55.73 55.03 3l2h s ARG 153 Cb -0.15 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.42 3l2h s ARG 153 CO 0.09 -0.44 0.73 0.08 -0.81 0.00 0.00 175.30 174.96 3l2h s VAL 154 N 1.89 5.01 0.19 7.11 1.01 -1.26 -5.05 120.40 129.30 3l2h s VAL 154 Ca 0.10 1.52 0.07 0.00 0.00 0.00 0.00 61.98 63.67 3l2h s VAL 154 Cb -0.17 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3l2h s VAL 154 CO 0.11 0.25 0.02 -0.76 0.00 0.00 0.00 175.10 174.72 3l2h s LEU 155 N 0.77 3.37 0.24 3.92 1.43 -1.26 -5.12 118.68 122.03 3l2h s LEU 155 Ca 0.39 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 3l2h s LEU 155 Cb -0.18 -1.99 -0.08 0.00 0.03 0.00 0.00 46.19 43.97 3l2h s LEU 155 CO 0.19 0.07 0.65 0.00 0.23 0.00 0.00 176.35 177.49 3l2h s ARG 156 N -3.10 4.00 0.00 1.70 1.70 -1.26 -5.35 118.95 116.64 3l2h s ARG 156 Ca 0.28 0.57 0.00 0.00 -0.47 0.00 0.00 55.73 56.12 3l2h s ARG 156 Cb -0.09 -2.68 0.00 0.00 -0.57 0.00 0.00 34.95 31.61 3l2h s ARG 156 CO 0.19 0.31 0.00 -1.91 -1.08 0.00 0.00 175.30 172.82