#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3b s THR 1 N 0.00 1.51 -0.21 2.46 2.01 -1.26 -5.12 115.64 115.04 3h3b s THR 1 Ca 0.00 -1.94 -0.28 0.00 0.31 0.00 0.00 61.69 59.78 3h3b s THR 1 Cb 0.00 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.74 3h3b s THR 1 CO 0.00 -0.49 0.99 -1.58 -0.69 0.00 0.00 174.62 172.85 3h3b s GLN 2 N -3.11 4.28 0.02 4.92 2.00 -1.26 -4.95 119.66 121.55 3h3b s GLN 2 Ca 0.15 1.29 0.00 0.00 -2.00 0.00 0.00 55.36 54.80 3h3b s GLN 2 Cb -0.03 -3.62 -0.04 0.00 0.80 0.00 0.00 33.01 30.12 3h3b s GLN 2 CO 0.04 -0.55 0.10 0.08 -0.50 0.00 0.00 175.29 174.46 3h3b s VAL 3 N 2.91 4.77 0.09 1.34 1.01 -1.26 -0.60 120.40 128.67 3h3b s VAL 3 Ca 0.43 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.78 3h3b s VAL 3 Cb -0.16 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.03 3h3b s VAL 3 CO 0.08 0.28 0.35 0.00 0.00 0.00 0.00 175.10 175.81 3h3b s THR 5 N -3.40 2.15 0.00 0.00 -4.23 -1.26 -0.04 115.64 108.86 3h3b s THR 5 Ca 0.01 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 3h3b s THR 5 Cb 0.02 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.88 3h3b s THR 5 CO -0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 3h3b n GLY 6 N -3.15 3.71 3.40 3.99 0.00 -1.25 -4.65 105.19 107.24 3h3b n GLY 6 Ca 0.09 -1.95 -0.20 0.00 0.00 0.00 0.00 46.02 43.97 3h3b n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h3b s THR 7 N 2.12 0.95 -0.18 2.61 -4.23 -0.48 -4.84 115.64 111.61 3h3b s THR 7 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 3h3b s THR 7 Cb 0.00 -2.73 0.48 0.00 1.34 0.00 0.00 72.50 71.60 3h3b s THR 7 CO 0.00 -0.01 1.13 0.47 -0.54 0.00 0.00 174.62 175.67 3h3b n ASP 8 N -0.60 1.49 0.14 3.99 8.00 -1.26 -4.19 116.55 124.12 3h3b n ASP 8 Ca -0.01 -2.10 0.06 0.00 0.71 0.00 0.00 54.79 53.45 3h3b n ASP 8 Cb 0.66 -0.42 0.04 0.00 -0.02 0.00 0.00 41.12 41.39 3h3b n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h3b h MET 9 N 2.05 0.00 0.00 -1.24 -0.00 -1.97 -3.49 114.93 110.27 3h3b h MET 9 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 3h3b h MET 9 Cb 1.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.08 3h3b h MET 9 CO 0.17 0.27 0.00 1.63 -0.00 0.00 0.00 176.91 178.98 3h3b n LYS 10 N -3.07 0.00 -0.33 -0.10 5.02 -1.26 -2.23 118.16 116.19 3h3b n LYS 10 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3h3b n LYS 10 Cb 0.68 0.00 0.15 0.00 -0.02 0.00 0.00 35.03 35.84 3h3b n LYS 10 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3h3b n LEU 11 N 0.00 2.73 -4.74 -0.35 4.77 -1.26 -4.94 117.00 113.21 3h3b n LEU 11 Ca 0.00 -1.38 -0.41 0.00 -0.03 0.00 0.00 56.01 54.19 3h3b n LEU 11 Cb 0.00 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.49 3h3b n LEU 11 CO 0.00 0.39 0.79 -0.60 -1.33 0.00 0.00 177.39 176.64 3h3b s ARG 12 N -1.66 4.60 0.03 3.23 3.52 -0.95 -5.00 118.95 122.72 3h3b s ARG 12 Ca 0.20 1.71 -0.30 0.00 -0.13 0.00 0.00 55.73 57.21 3h3b s ARG 12 Cb 0.15 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 3h3b s ARG 12 CO 0.06 0.08 1.24 -0.51 -0.81 0.00 0.00 175.30 175.36 3h3b s LEU 13 N -0.35 4.34 0.79 -0.88 1.02 -1.26 -5.01 118.68 117.33 3h3b s LEU 13 Ca 0.49 2.00 -0.11 0.00 0.02 0.00 0.00 54.13 56.53 3h3b s LEU 13 Cb -0.29 -3.57 0.07 0.00 0.02 0.00 0.00 46.19 42.42 3h3b s LEU 13 CO 0.35 -0.54 1.09 -2.84 0.02 0.00 0.00 176.35 174.42 3h3b s PRO 14 N 1.54 2.11 0.08 1.29 0.02 -1.26 -4.99 135.00 133.78 3h3b s PRO 14 Ca 0.59 1.01 -0.24 0.00 0.02 0.00 0.00 61.00 62.38 3h3b s PRO 14 Cb -0.29 -1.89 -0.16 0.00 0.02 0.00 0.00 34.50 32.18 3h3b s PRO 14 CO 0.27 -1.70 1.67 0.00 -0.33 0.00 0.00 177.00 176.91 3h3b h ALA 15 N -1.17 -0.10 -2.47 -1.55 0.00 -1.99 -3.45 119.26 108.53 3h3b h ALA 15 Ca -0.45 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 3h3b h ALA 15 Cb 1.24 0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.88 3h3b h ALA 15 CO 0.54 -0.53 -0.22 -1.54 0.00 0.00 0.00 179.25 177.50 3h3b s SER 16 N -5.16 -0.23 0.56 0.00 1.04 -1.26 -5.03 113.70 103.62 3h3b s SER 16 Ca -0.14 0.11 0.31 0.00 0.48 0.00 0.00 55.95 56.71 3h3b s SER 16 Cb 0.05 0.35 1.69 0.00 0.10 0.00 0.00 66.02 68.21 3h3b s SER 16 CO 0.65 -0.50 2.15 -0.65 0.98 0.00 0.00 173.24 175.88 3h3b h PRO 17 N 3.64 0.00 -0.11 4.02 0.11 -1.95 -1.86 132.00 135.85 3h3b h PRO 17 Ca -0.30 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 3h3b h PRO 17 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3h3b h PRO 17 CO 0.41 0.06 -0.11 0.93 -0.21 0.00 0.00 178.00 179.09 3h3b h GLU 18 N 0.00 0.26 0.00 1.05 5.08 -2.01 -3.00 114.58 115.96 3h3b h GLU 18 Ca -0.00 -0.14 -0.16 0.00 -1.00 0.00 0.00 59.36 58.07 3h3b h GLU 18 Cb 0.23 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3h3b h GLU 18 CO 0.01 0.67 -0.75 1.79 -1.00 0.00 0.00 179.01 179.74 3h3b h THR 19 N -0.15 1.47 0.29 1.13 1.35 -1.95 -3.21 112.91 111.84 3h3b h THR 19 Ca 0.02 -2.62 -0.01 0.00 -0.55 0.00 0.00 66.41 63.24 3h3b h THR 19 Cb 0.63 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 3h3b h THR 19 CO 0.03 0.73 -0.14 -0.74 -0.25 0.00 0.00 175.52 175.15 3h3b h HIS 20 N 0.00 -0.37 -0.31 4.73 6.17 -1.35 -1.24 115.15 122.79 3h3b h HIS 20 Ca -0.01 -0.01 -0.15 0.00 0.71 0.00 0.00 60.37 60.91 3h3b h HIS 20 Cb 1.38 0.12 -0.01 0.00 2.52 0.00 0.00 27.41 31.42 3h3b h HIS 20 CO 0.00 -0.08 -0.41 1.25 0.71 0.00 0.00 177.93 179.39 3h3b h LEU 21 N -0.62 0.80 -0.92 0.26 5.85 -1.68 -2.62 115.31 116.37 3h3b h LEU 21 Ca -0.04 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 3h3b h LEU 21 Cb 0.44 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3h3b h LEU 21 CO 0.07 1.11 0.18 0.44 -0.34 0.00 0.00 178.44 179.90 3h3b h ASP 22 N 0.61 0.91 -0.25 1.25 5.19 -1.56 -0.37 116.42 122.20 3h3b h ASP 22 Ca 0.05 -0.16 -0.06 0.00 -0.62 0.00 0.00 57.03 56.24 3h3b h ASP 22 Cb 0.96 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 3h3b h ASP 22 CO 0.09 0.86 -0.07 -0.03 -3.12 0.00 0.00 179.24 176.97 3h3b h MET 23 N 0.94 0.49 -0.79 3.56 4.05 -1.19 -1.87 114.93 120.11 3h3b h MET 23 Ca 0.21 -0.19 -0.05 0.00 -0.28 0.00 0.00 59.70 59.39 3h3b h MET 23 Cb 0.29 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 3h3b h MET 23 CO -0.01 0.72 0.31 -0.07 0.23 0.00 0.00 176.91 178.09 3h3b h LEU 24 N 0.23 1.09 -0.33 3.39 3.38 -1.27 -0.25 115.31 121.54 3h3b h LEU 24 Ca 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3h3b h LEU 24 Cb 0.54 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3h3b h LEU 24 CO 0.03 0.96 0.14 -0.09 0.09 0.00 0.00 178.44 179.57 3h3b h ARG 25 N 1.14 0.48 -0.22 1.13 2.43 -1.07 -0.91 114.38 117.37 3h3b h ARG 25 Ca 0.26 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 3h3b h ARG 25 Cb 0.22 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3h3b h ARG 25 CO -0.02 0.47 -0.11 0.45 -1.51 0.00 0.00 179.97 179.25 3h3b h HIS 26 N 0.39 0.37 -0.00 2.20 3.86 -1.07 -2.31 115.15 118.58 3h3b h HIS 26 Ca 0.11 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3h3b h HIS 26 Cb 0.16 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.52 3h3b h HIS 26 CO -0.01 0.46 -0.02 1.25 0.86 0.00 0.00 177.93 180.46 3h3b h LEU 27 N 0.33 0.02 0.00 2.43 5.85 -0.83 -3.40 115.31 119.72 3h3b h LEU 27 Ca 0.07 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 58.02 3h3b h LEU 27 Cb 0.40 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3h3b h LEU 27 CO 0.02 0.78 -1.29 -1.22 -0.34 0.00 0.00 178.44 176.40 3h3b n TYR 28 N -4.70 0.30 -1.79 1.25 0.53 -0.37 -4.76 117.16 107.62 3h3b n TYR 28 Ca -0.09 0.09 -0.42 0.00 -1.02 0.00 0.00 57.90 56.45 3h3b n TYR 28 Cb 0.38 -0.52 -0.03 0.00 -1.03 0.00 0.00 39.34 38.15 3h3b n TYR 28 CO 0.00 0.00 0.00 -1.14 -1.02 0.00 0.00 176.86 174.70 3h3b s GLN 29 N -3.30 4.16 0.00 -0.72 0.74 -0.87 -1.09 119.66 118.57 3h3b s GLN 29 Ca 0.00 2.49 0.00 0.00 0.05 0.00 0.00 55.36 57.90 3h3b s GLN 29 Cb 0.14 -3.77 0.00 0.00 1.10 0.00 0.00 33.01 30.48 3h3b s GLN 29 CO 0.83 -0.84 0.00 0.41 -0.55 0.00 0.00 175.29 175.14 3h3b n GLY 30 N 4.23 3.12 3.73 2.59 0.00 -1.26 -5.02 105.19 112.59 3h3b n GLY 30 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3h3b n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3b n GLN 32 N 2.84 1.38 -3.99 0.00 6.02 0.24 -2.32 117.38 121.54 3h3b n GLN 32 Ca 0.08 0.03 -0.31 0.00 -0.01 0.00 0.00 57.00 56.79 3h3b n GLN 32 Cb 0.42 -1.28 -0.15 0.00 1.02 0.00 0.00 30.24 30.24 3h3b n GLN 32 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3h3b s VAL 33 N -2.27 1.76 -0.41 5.09 1.01 0.15 0.28 120.40 126.01 3h3b s VAL 33 Ca -0.11 -1.31 -0.22 0.00 0.00 0.00 0.00 61.98 60.34 3h3b s VAL 33 Cb 0.04 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.50 3h3b s VAL 33 CO 0.39 -0.02 0.70 0.54 0.00 0.00 0.00 175.10 176.71 3h3b s VAL 34 N 1.30 4.78 -1.25 2.92 0.11 -0.67 -1.35 120.40 126.24 3h3b s VAL 34 Ca -0.06 0.41 -0.14 0.00 -2.93 0.00 0.00 61.98 59.25 3h3b s VAL 34 Cb -0.19 -4.21 0.14 0.00 -1.53 0.00 0.00 36.38 30.59 3h3b s VAL 34 CO -0.06 -0.55 1.57 0.00 -3.33 0.00 0.00 175.10 172.73 3h3b n GLN 35 N 6.37 3.33 0.00 1.54 6.02 0.94 -1.34 117.38 134.23 3h3b n GLN 35 Ca 0.00 -3.64 0.00 0.00 -0.01 0.00 0.00 57.00 53.35 3h3b n GLN 35 Cb 0.48 -3.15 0.00 0.00 1.02 0.00 0.00 30.24 28.59 3h3b n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h3b n GLY 36 N 4.31 0.49 3.66 1.08 0.00 -1.26 -3.78 105.19 109.68 3h3b n GLY 36 Ca 0.41 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 3h3b n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h3b s ASN 37 N -4.00 5.79 -0.55 1.61 0.01 -1.26 -0.47 114.94 116.07 3h3b s ASN 37 Ca 0.00 0.11 -0.23 0.00 -0.71 0.00 0.00 52.86 52.04 3h3b s ASN 37 Cb 0.00 -2.00 0.05 0.00 0.41 0.00 0.00 41.25 39.71 3h3b s ASN 37 CO 0.00 0.17 0.87 -0.22 -1.51 0.00 0.00 177.10 176.40 3h3b s LEU 38 N 0.42 4.34 -0.23 0.60 2.96 -0.25 -1.38 118.68 125.15 3h3b s LEU 38 Ca 0.05 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3h3b s LEU 38 Cb -0.12 -2.70 0.02 0.00 0.50 0.00 0.00 46.19 43.89 3h3b s LEU 38 CO -0.00 -1.16 -0.09 -1.61 -1.32 0.00 0.00 176.35 172.17 3h3b s GLU 39 N 3.63 3.00 -0.32 1.98 2.02 -1.26 -0.33 118.70 127.42 3h3b s GLU 39 Ca 0.26 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.42 3h3b s GLU 39 Cb -0.15 -2.90 0.09 0.00 0.10 0.00 0.00 34.13 31.28 3h3b s GLU 39 CO 0.17 -0.31 0.03 -0.51 0.02 0.00 0.00 175.26 174.66 3h3b s LEU 40 N 1.35 4.15 0.07 1.80 1.43 0.39 -4.99 118.68 122.88 3h3b s LEU 40 Ca 0.03 -1.95 0.04 0.00 -1.03 0.00 0.00 54.13 51.22 3h3b s LEU 40 Cb -0.15 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 3h3b s LEU 40 CO -0.06 -0.36 -0.12 0.42 0.23 0.00 0.00 176.35 176.46 3h3b s THR 41 N 1.05 0.96 -1.42 5.49 -4.23 -1.26 -2.18 115.64 114.05 3h3b s THR 41 Ca 0.08 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 3h3b s THR 41 Cb -0.19 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.64 3h3b s THR 41 CO -0.10 -0.31 0.00 -1.22 -0.54 0.00 0.00 174.62 172.45 3h3b n TYR 42 N 1.21 -1.08 -2.68 3.99 4.02 -0.79 -4.92 117.16 116.91 3h3b n TYR 42 Ca -0.21 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.27 3h3b n TYR 42 Cb 0.55 -3.21 -0.04 0.00 -0.02 0.00 0.00 39.34 36.61 3h3b n TYR 42 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3h3b s LEU 43 N -5.52 4.46 0.93 7.72 1.43 -1.26 -4.86 118.68 121.58 3h3b s LEU 43 Ca 0.00 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 54.80 3h3b s LEU 43 Cb 0.00 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.78 3h3b s LEU 43 CO 0.00 -0.16 1.10 -2.16 0.23 0.00 0.00 176.35 175.37 3h3b s PRO 44 N 0.25 1.00 0.16 1.29 0.04 -1.26 -0.00 135.00 136.47 3h3b s PRO 44 Ca 0.49 0.55 -0.19 0.00 0.04 0.00 0.00 61.00 61.90 3h3b s PRO 44 Cb -0.24 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.58 3h3b s PRO 44 CO 0.30 -2.35 1.65 1.15 0.04 0.00 0.00 177.00 177.79 3h3b h THR 45 N -1.62 0.51 -0.80 1.26 2.02 -1.94 -2.83 112.91 109.52 3h3b h THR 45 Ca -0.51 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 66.39 3h3b h THR 45 Cb 1.31 0.51 -0.17 0.00 -1.74 0.00 0.00 68.15 68.07 3h3b h THR 45 CO 0.58 0.00 0.35 0.59 0.37 0.00 0.00 175.52 177.41 3h3b n ASN 46 N -5.34 4.66 -4.69 4.18 3.02 -1.26 -3.98 115.26 111.85 3h3b n ASN 46 Ca 0.01 -3.29 -0.42 0.00 -0.03 0.00 0.00 54.58 50.85 3h3b n ASN 46 Cb 0.25 -0.77 -0.03 0.00 -0.61 0.00 0.00 39.78 38.62 3h3b n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h3b s ALA 47 N -3.03 3.58 -0.27 5.41 0.00 -1.08 -4.98 121.76 121.39 3h3b s ALA 47 Ca 0.55 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 3h3b s ALA 47 Cb 0.45 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.99 3h3b s ALA 47 CO 0.13 -0.90 1.04 0.45 0.00 0.00 0.00 175.76 176.48 3h3b s SER 48 N 1.86 7.01 -0.21 0.00 0.15 -1.26 -4.92 113.70 116.32 3h3b s SER 48 Ca 0.64 1.22 0.14 0.00 0.70 0.00 0.00 55.95 58.64 3h3b s SER 48 Cb -0.31 -2.54 0.48 0.00 -1.71 0.00 0.00 66.02 61.94 3h3b s SER 48 CO 0.26 -0.75 1.39 0.18 1.20 0.00 0.00 173.24 175.52 3h3b n LEU 49 N 6.54 3.69 0.19 3.45 4.32 -1.26 -4.69 117.00 129.24 3h3b n LEU 49 Ca 0.12 -3.35 0.14 0.00 -0.02 0.00 0.00 56.01 52.89 3h3b n LEU 49 Cb 0.47 -0.56 0.63 0.00 -1.62 0.00 0.00 43.42 42.33 3h3b n LEU 49 CO 0.55 0.93 0.91 0.77 -1.22 0.00 0.00 177.39 179.32 3h3b h SER 50 N 1.19 0.00 0.49 -1.43 4.64 -1.93 -2.50 113.55 114.00 3h3b h SER 50 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3h3b h SER 50 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3h3b h SER 50 CO 0.24 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.42 3h3b n PHE 51 N -2.49 0.19 1.17 4.77 1.16 -1.26 -2.72 117.46 118.28 3h3b n PHE 51 Ca 0.00 0.08 0.13 0.00 -1.87 0.00 0.00 57.45 55.79 3h3b n PHE 51 Cb 0.18 -0.63 0.41 0.00 -1.61 0.00 0.00 39.48 37.84 3h3b n PHE 51 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3h3b n LEU 52 N -1.68 0.61 0.30 5.98 4.77 -0.94 -3.63 117.00 122.41 3h3b n LEU 52 Ca 0.03 -0.03 0.17 0.00 -0.03 0.00 0.00 56.01 56.14 3h3b n LEU 52 Cb 0.16 -0.22 0.96 0.00 -2.33 0.00 0.00 43.42 42.00 3h3b n LEU 52 CO 0.13 0.13 1.12 0.06 -1.33 0.00 0.00 177.39 177.49 3h3b h GLN 53 N 0.52 0.00 0.00 3.23 3.07 -1.73 -2.32 115.11 117.88 3h3b h GLN 53 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3h3b h GLN 53 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.03 3h3b h GLN 53 CO 0.00 0.02 -0.69 -0.25 0.09 0.00 0.00 178.83 177.99 3h3b n ASP 54 N -3.60 0.65 -4.66 0.06 8.00 -1.26 -4.35 116.55 111.40 3h3b n ASP 54 Ca -0.03 -0.44 -0.42 0.00 0.71 0.00 0.00 54.79 54.61 3h3b n ASP 54 Cb 0.11 0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 3h3b n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h3b s ILE 55 N -3.02 3.39 -0.09 0.53 1.01 -0.88 -4.15 121.20 117.99 3h3b s ILE 55 Ca 0.09 0.47 0.09 0.00 0.00 0.00 0.00 60.65 61.30 3h3b s ILE 55 Cb 0.17 -3.31 -0.13 0.00 0.01 0.00 0.00 42.46 39.20 3h3b s ILE 55 CO 0.76 -0.05 0.05 0.00 0.00 0.00 0.00 174.94 175.70 3h3b n GLN 56 N 7.33 2.20 -3.82 2.79 6.02 0.14 -1.81 117.38 130.23 3h3b n GLN 56 Ca 0.19 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 57.04 3h3b n GLN 56 Cb 0.42 -1.26 -0.09 0.00 1.02 0.00 0.00 30.24 30.33 3h3b n GLN 56 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3h3b s GLU 57 N -2.28 0.56 -0.13 -1.09 -1.05 -0.82 -0.24 118.70 113.65 3h3b s GLU 57 Ca -0.05 -0.30 0.02 0.00 -0.15 0.00 0.00 54.97 54.49 3h3b s GLU 57 Cb 0.03 0.24 0.01 0.00 -0.44 0.00 0.00 34.13 33.97 3h3b s GLU 57 CO 0.42 -0.14 -0.20 0.08 0.95 0.00 0.00 175.26 176.37 3h3b s VAL 58 N -1.34 1.86 0.08 1.83 1.01 -0.47 -1.67 120.40 121.69 3h3b s VAL 58 Ca -0.14 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3h3b s VAL 58 Cb -0.07 -1.66 -0.26 0.00 0.00 0.00 0.00 36.38 34.40 3h3b s VAL 58 CO 0.03 0.51 1.13 1.56 0.00 0.00 0.00 175.10 178.33 3h3b h GLN 59 N 7.33 0.17 0.00 2.72 4.20 -1.25 0.05 115.11 128.33 3h3b h GLN 59 Ca -0.31 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.10 3h3b h GLN 59 Cb 1.19 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.08 3h3b h GLN 59 CO 0.53 1.11 0.00 0.41 -0.67 0.00 0.00 178.83 180.20 3h3b n GLY 60 N 1.49 0.63 3.75 3.46 0.00 0.38 -0.99 105.19 113.91 3h3b n GLY 60 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 3h3b n GLY 60 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h3b s TYR 61 N 2.29 2.73 -0.20 1.61 -0.85 -1.15 -1.77 117.35 120.01 3h3b s TYR 61 Ca 0.00 -0.38 -0.04 0.00 -0.52 0.00 0.00 57.07 56.13 3h3b s TYR 61 Cb 0.00 -1.68 -0.01 0.00 0.38 0.00 0.00 41.96 40.64 3h3b s TYR 61 CO 0.00 0.30 -0.05 0.08 -1.52 0.00 0.00 175.55 174.37 3h3b s VAL 62 N -2.42 3.45 -0.15 -3.49 1.01 0.88 -1.09 120.40 118.60 3h3b s VAL 62 Ca 0.38 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.90 3h3b s VAL 62 Cb -0.03 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.81 3h3b s VAL 62 CO 0.23 0.44 -0.19 -0.22 0.00 0.00 0.00 175.10 175.36 3h3b s LEU 63 N 1.22 2.26 -0.26 3.92 2.96 0.55 -1.27 118.68 128.06 3h3b s LEU 63 Ca 0.03 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 3h3b s LEU 63 Cb -0.14 -1.50 0.08 0.00 0.50 0.00 0.00 46.19 45.13 3h3b s LEU 63 CO -0.01 0.07 0.02 -0.63 -1.32 0.00 0.00 176.35 174.48 3h3b s ILE 64 N 0.86 1.24 -0.03 6.68 1.01 -0.10 -0.46 121.20 130.40 3h3b s ILE 64 Ca -0.05 -1.26 -0.07 0.00 0.00 0.00 0.00 60.65 59.26 3h3b s ILE 64 Cb -0.15 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.62 3h3b s ILE 64 CO -0.02 -0.33 0.16 0.00 0.00 0.00 0.00 174.94 174.75 3h3b s ALA 65 N 1.49 -0.39 -1.22 9.38 0.00 -0.93 -0.40 121.76 129.69 3h3b s ALA 65 Ca 0.01 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 3h3b s ALA 65 Cb -0.18 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.88 3h3b s ALA 65 CO -0.12 -0.15 0.14 0.72 0.00 0.00 0.00 175.76 176.35 3h3b n HIS 66 N 2.16 -1.49 -3.31 0.00 8.25 -0.47 -1.89 115.22 118.49 3h3b n HIS 66 Ca -0.18 0.13 -0.38 0.00 -0.26 0.00 0.00 57.72 57.03 3h3b n HIS 66 Cb 0.57 -3.09 -0.06 0.00 1.12 0.00 0.00 29.99 28.53 3h3b n HIS 66 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3h3b s ASN 67 N -2.22 6.99 0.09 0.41 0.01 -1.26 -3.08 114.94 115.89 3h3b s ASN 67 Ca 0.10 1.20 0.23 0.00 -0.71 0.00 0.00 52.86 53.68 3h3b s ASN 67 Cb -0.05 -2.34 -0.06 0.00 0.41 0.00 0.00 41.25 39.21 3h3b s ASN 67 CO 0.12 0.24 0.90 0.00 -1.51 0.00 0.00 177.10 176.86 3h3b n GLN 68 N 1.52 0.49 -1.67 -0.60 6.02 0.99 -2.56 117.38 121.57 3h3b n GLN 68 Ca -0.09 -0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 56.44 3h3b n GLN 68 Cb 0.51 -1.66 -0.04 0.00 1.02 0.00 0.00 30.24 30.07 3h3b n GLN 68 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 3h3b n VAL 69 N -2.29 0.34 0.12 5.09 3.14 -0.92 -0.19 118.33 123.62 3h3b n VAL 69 Ca -0.00 -0.09 -0.03 0.00 -2.96 0.00 0.00 64.34 61.26 3h3b n VAL 69 Cb 0.51 -1.52 0.15 0.00 -1.06 0.00 0.00 33.84 31.92 3h3b n VAL 69 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 3h3b h ARG 70 N 5.30 0.10 -3.45 1.45 3.08 -1.69 -3.15 114.38 116.02 3h3b h ARG 70 Ca -0.45 -0.07 -0.23 0.00 0.07 0.00 0.00 59.98 59.30 3h3b h ARG 70 Cb 1.26 0.01 -0.29 0.00 0.08 0.00 0.00 29.97 31.03 3h3b h ARG 70 CO 0.84 0.68 -0.62 -0.65 -1.07 0.00 0.00 179.97 179.15 3h3b s GLN 71 N -3.67 0.08 -0.35 0.04 -0.21 -1.26 -0.14 119.66 114.15 3h3b s GLN 71 Ca -0.02 0.20 -0.09 0.00 0.02 0.00 0.00 55.36 55.47 3h3b s GLN 71 Cb 0.12 -0.05 0.03 0.00 1.00 0.00 0.00 33.01 34.11 3h3b s GLN 71 CO 0.78 -0.07 0.16 0.08 -2.12 0.00 0.00 175.29 174.11 3h3b s VAL 72 N 0.48 4.26 -0.58 1.09 1.01 -1.19 -4.97 120.40 120.49 3h3b s VAL 72 Ca -0.04 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 3h3b s VAL 72 Cb -0.05 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 33.04 3h3b s VAL 72 CO -0.02 -0.16 0.79 -2.16 0.00 0.00 0.00 175.10 173.55 3h3b s PRO 73 N 1.50 3.13 -0.43 2.72 0.05 -1.26 -2.03 135.00 138.69 3h3b s PRO 73 Ca 0.01 -0.90 0.08 0.00 0.05 0.00 0.00 61.00 60.25 3h3b s PRO 73 Cb -0.19 -4.18 0.41 0.00 0.05 0.00 0.00 34.50 30.60 3h3b s PRO 73 CO 0.05 -1.52 1.03 1.28 0.05 0.00 0.00 177.00 177.88 3h3b n LEU 74 N 6.86 3.69 0.19 -3.56 4.77 -0.73 -4.48 117.00 123.74 3h3b n LEU 74 Ca -0.05 -4.92 0.14 0.00 -0.03 0.00 0.00 56.01 51.15 3h3b n LEU 74 Cb 0.45 -0.20 0.65 0.00 -2.33 0.00 0.00 43.42 41.99 3h3b n LEU 74 CO 0.60 2.10 0.92 1.56 -1.33 0.00 0.00 177.39 181.24 3h3b h GLN 75 N 2.76 0.00 -0.00 3.23 1.08 -1.81 -2.07 115.11 118.29 3h3b h GLN 75 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3h3b h GLN 75 Cb 0.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 3h3b h GLN 75 CO 0.74 0.00 -0.81 0.54 -0.95 0.00 0.00 178.83 178.35 3h3b n ARG 76 N -2.52 0.21 -1.89 1.46 1.74 -1.26 -3.07 116.66 111.32 3h3b n ARG 76 Ca 0.00 -0.17 -0.43 0.00 -0.77 0.00 0.00 57.85 56.49 3h3b n ARG 76 Cb 0.18 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 3h3b n ARG 76 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3h3b s LEU 77 N -2.90 3.65 -0.22 0.55 2.96 -0.75 -4.23 118.68 117.74 3h3b s LEU 77 Ca 0.11 1.64 0.05 0.00 -0.22 0.00 0.00 54.13 55.71 3h3b s LEU 77 Cb 0.17 -3.52 -0.20 0.00 0.50 0.00 0.00 46.19 43.13 3h3b s LEU 77 CO 0.79 -1.62 -0.04 -1.14 -1.32 0.00 0.00 176.35 173.02 3h3b n ARG 78 N 8.27 0.67 -3.76 1.98 0.63 0.67 -1.43 116.66 123.70 3h3b n ARG 78 Ca 0.24 0.13 -0.13 0.00 -0.92 0.00 0.00 57.85 57.17 3h3b n ARG 78 Cb 0.45 -1.56 -0.14 0.00 0.45 0.00 0.00 32.46 31.67 3h3b n ARG 78 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 3h3b s ILE 79 N -2.52 -0.03 -0.18 5.15 2.07 -1.12 -1.68 121.20 122.88 3h3b s ILE 79 Ca -0.26 0.13 -0.02 0.00 -1.41 0.00 0.00 60.65 59.09 3h3b s ILE 79 Cb 0.08 -0.28 -0.01 0.00 0.13 0.00 0.00 42.46 42.38 3h3b s ILE 79 CO 0.69 0.05 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.99 3h3b s VAL 80 N 0.93 3.19 0.03 4.00 1.01 -0.54 -1.36 120.40 127.66 3h3b s VAL 80 Ca -0.07 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.40 3h3b s VAL 80 Cb -0.09 -2.40 -0.23 0.00 0.00 0.00 0.00 36.38 33.66 3h3b s VAL 80 CO -0.05 0.48 0.93 0.03 0.00 0.00 0.00 175.10 176.49 3h3b h ARG 81 N 7.47 0.06 -3.84 2.72 3.08 -1.11 -1.66 114.38 121.09 3h3b h ARG 81 Ca -0.35 -0.10 -0.30 0.00 0.07 0.00 0.00 59.98 59.30 3h3b h ARG 81 Cb 1.18 0.04 0.07 0.00 0.08 0.00 0.00 29.97 31.33 3h3b h ARG 81 CO 0.59 0.82 -0.47 0.41 -1.07 0.00 0.00 179.97 180.25 3h3b n GLY 82 N 1.51 -0.20 0.28 0.04 0.00 -0.73 -2.45 105.19 103.64 3h3b n GLY 82 Ca -0.11 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.87 3h3b n GLY 82 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h3b h THR 83 N -1.37 1.16 -3.61 2.61 2.02 -1.22 -3.42 112.91 109.08 3h3b h THR 83 Ca -0.41 -0.57 -0.39 0.00 0.77 0.00 0.00 66.41 65.81 3h3b h THR 83 Cb 1.28 0.85 -0.18 0.00 -1.74 0.00 0.00 68.15 68.35 3h3b h THR 83 CO 0.42 0.20 -0.75 0.00 0.37 0.00 0.00 175.52 175.77 3h3b s GLN 84 N -5.10 0.98 0.15 6.66 -2.07 -1.26 -5.01 119.66 114.01 3h3b s GLN 84 Ca -0.07 -1.22 0.07 0.00 -1.82 0.00 0.00 55.36 52.32 3h3b s GLN 84 Cb 0.16 -0.81 -0.04 0.00 -1.09 0.00 0.00 33.01 31.23 3h3b s GLN 84 CO 0.75 0.15 -0.17 -0.51 -1.32 0.00 0.00 175.29 174.19 3h3b s LEU 85 N -2.47 2.42 -0.15 2.60 1.43 -1.26 -2.92 118.68 118.33 3h3b s LEU 85 Ca 0.08 -0.84 -0.18 0.00 -1.03 0.00 0.00 54.13 52.17 3h3b s LEU 85 Cb -0.04 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 3h3b s LEU 85 CO 0.02 -0.07 0.48 0.12 0.23 0.00 0.00 176.35 177.13 3h3b s PHE 86 N -2.05 3.45 -1.36 0.29 5.36 0.73 -3.86 117.98 120.54 3h3b s PHE 86 Ca 0.13 0.82 -0.00 0.00 -0.96 0.00 0.00 56.93 56.91 3h3b s PHE 86 Cb -0.06 -2.58 0.00 0.00 -0.34 0.00 0.00 43.02 40.04 3h3b s PHE 86 CO 0.05 0.06 0.04 0.39 -1.46 0.00 0.00 175.22 174.30 3h3b n GLU 87 N 4.12 -2.15 -0.36 10.12 1.02 -1.26 -1.54 120.64 130.58 3h3b n GLU 87 Ca -0.06 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 3h3b n GLU 87 Cb 0.51 -5.41 0.00 0.00 -0.02 0.00 0.00 31.44 26.53 3h3b n GLU 87 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3h3b n ASP 88 N -1.93 0.00 0.00 1.62 8.00 -1.25 -4.65 116.55 118.34 3h3b n ASP 88 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 3h3b n ASP 88 Cb 0.64 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3h3b n ASP 88 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3h3b n ASN 89 N 0.00 0.80 -4.23 -2.24 3.02 -1.13 -4.90 115.26 106.58 3h3b n ASN 89 Ca 0.00 -0.14 -0.32 0.00 -0.03 0.00 0.00 54.58 54.09 3h3b n ASN 89 Cb 0.00 0.43 -0.16 0.00 -0.61 0.00 0.00 39.78 39.44 3h3b n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h3b s TYR 90 N -0.59 2.66 0.00 3.10 1.51 -0.59 -1.12 117.35 122.31 3h3b s TYR 90 Ca 0.00 -1.07 0.11 0.00 -1.01 0.00 0.00 57.07 55.10 3h3b s TYR 90 Cb 0.00 -1.78 -0.21 0.00 -0.11 0.00 0.00 41.96 39.86 3h3b s TYR 90 CO 0.00 -0.45 0.90 0.00 -1.11 0.00 0.00 175.55 174.89 3h3b h ALA 91 N 6.97 0.63 -3.31 3.71 0.00 -1.45 0.21 119.26 126.01 3h3b h ALA 91 Ca -0.26 -1.21 -0.51 0.00 0.00 0.00 0.00 54.91 52.94 3h3b h ALA 91 Cb 1.22 0.25 -0.35 0.00 0.00 0.00 0.00 17.79 18.90 3h3b h ALA 91 CO 0.52 1.40 -0.80 -1.17 0.00 0.00 0.00 179.25 179.20 3h3b s LEU 92 N -6.28 1.38 -0.11 0.00 2.96 -0.92 -0.08 118.68 115.62 3h3b s LEU 92 Ca -0.02 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3h3b s LEU 92 Cb 0.09 -0.78 0.04 0.00 0.50 0.00 0.00 46.19 46.03 3h3b s LEU 92 CO 0.82 -0.05 -0.00 0.00 -1.32 0.00 0.00 176.35 175.80 3h3b s ALA 93 N 1.20 0.89 -0.28 5.97 0.00 -0.40 -0.29 121.76 128.84 3h3b s ALA 93 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3h3b s ALA 93 Cb -0.14 -0.88 0.05 0.00 0.00 0.00 0.00 23.12 22.15 3h3b s ALA 93 CO -0.02 -0.63 -0.05 0.08 0.00 0.00 0.00 175.76 175.13 3h3b s VAL 94 N 1.90 2.64 -0.03 0.00 1.01 0.12 -0.92 120.40 125.11 3h3b s VAL 94 Ca 0.03 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 60.59 3h3b s VAL 94 Cb -0.14 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.75 3h3b s VAL 94 CO -0.06 -0.03 -0.05 -0.76 0.00 0.00 0.00 175.10 174.19 3h3b s LEU 95 N 1.20 1.59 -1.51 3.92 1.43 0.46 -1.04 118.68 124.73 3h3b s LEU 95 Ca -0.06 -0.12 -0.07 0.00 -1.03 0.00 0.00 54.13 52.85 3h3b s LEU 95 Cb -0.19 -0.40 0.06 0.00 0.03 0.00 0.00 46.19 45.68 3h3b s LEU 95 CO -0.03 -0.00 0.60 0.47 0.23 0.00 0.00 176.35 177.62 3h3b n ASP 96 N 3.60 -1.73 -4.15 2.29 9.92 -0.64 -1.36 116.55 124.48 3h3b n ASP 96 Ca -0.21 -0.98 -0.43 0.00 -0.53 0.00 0.00 54.79 52.64 3h3b n ASP 96 Cb 0.53 -3.08 0.00 0.00 -0.64 0.00 0.00 41.12 37.94 3h3b n ASP 96 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3h3b n ASN 97 N -2.87 5.23 0.00 -2.24 3.02 -1.17 -2.57 115.26 114.66 3h3b n ASN 97 Ca -0.15 -3.07 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 3h3b n ASN 97 Cb 0.61 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 3h3b n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h3b n GLY 98 N 3.28 0.00 3.43 7.41 0.00 -1.06 -1.97 105.19 116.27 3h3b n GLY 98 Ca 0.37 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 3h3b n GLY 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h3b s ASP 99 N -4.00 3.49 0.53 1.61 1.01 0.27 -4.84 116.67 114.75 3h3b s ASP 99 Ca 0.00 -0.77 -0.22 0.00 0.71 0.00 0.00 52.55 52.27 3h3b s ASP 99 Cb 0.00 -0.30 -0.05 0.00 1.01 0.00 0.00 42.92 43.57 3h3b s ASP 99 CO 0.00 0.15 1.35 -2.84 0.21 0.00 0.00 175.17 174.03 3h3b s PRO 100 N -2.39 3.24 -0.04 8.23 0.02 -1.26 -4.54 135.00 138.26 3h3b s PRO 100 Ca 0.18 2.21 -0.11 0.00 0.02 0.00 0.00 61.00 63.29 3h3b s PRO 100 Cb -0.09 -2.30 0.02 0.00 0.02 0.00 0.00 34.50 32.15 3h3b s PRO 100 CO 0.09 -1.10 0.26 -1.17 -0.33 0.00 0.00 177.00 174.74 3h3b s LEU 101 N -3.42 1.04 0.00 -5.54 2.96 -1.26 -4.81 118.68 107.65 3h3b s LEU 101 Ca 0.70 0.17 -0.14 0.00 -0.22 0.00 0.00 54.13 54.65 3h3b s LEU 101 Cb -0.40 1.03 0.19 0.00 0.50 0.00 0.00 46.19 47.51 3h3b s LEU 101 CO 0.47 -0.31 1.06 -0.46 -1.32 0.00 0.00 176.35 175.79 3h3b n ASN 102 N 1.86 -0.08 0.05 3.68 0.23 -1.26 -3.26 115.26 116.48 3h3b n ASN 102 Ca -0.19 -1.36 0.03 0.00 -0.53 0.00 0.00 54.58 52.53 3h3b n ASN 102 Cb 0.57 -0.82 0.15 0.00 -2.08 0.00 0.00 39.78 37.59 3h3b n ASN 102 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3h3b n ASN 103 N -3.77 0.14 -4.72 0.53 4.13 -1.26 -4.76 115.26 105.55 3h3b n ASN 103 Ca 0.13 0.50 -0.42 0.00 1.68 0.00 0.00 54.58 56.47 3h3b n ASN 103 Cb 0.47 -0.50 -0.03 0.00 -1.54 0.00 0.00 39.78 38.18 3h3b n ASN 103 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3h3b s THR 104 N -3.02 2.89 0.13 3.41 2.01 -1.26 -4.95 115.64 114.85 3h3b s THR 104 Ca -0.01 0.67 -0.31 0.00 0.31 0.00 0.00 61.69 62.35 3h3b s THR 104 Cb 0.02 -3.43 -0.11 0.00 0.01 0.00 0.00 72.50 68.99 3h3b s THR 104 CO 0.05 0.07 1.82 0.28 -0.69 0.00 0.00 174.62 176.15 3h3b s THR 105 N 0.79 2.46 0.32 -0.82 -1.32 -1.26 -4.90 115.64 110.91 3h3b s THR 105 Ca 0.65 0.03 -0.28 0.00 -1.21 0.00 0.00 61.69 60.88 3h3b s THR 105 Cb -0.41 -3.02 -0.13 0.00 -1.51 0.00 0.00 72.50 67.43 3h3b s THR 105 CO 0.34 0.00 1.18 -0.81 -2.21 0.00 0.00 174.62 173.13 3h3b n PRO 106 N 5.49 1.83 -3.53 7.08 -0.04 -1.26 -5.00 135.00 139.57 3h3b n PRO 106 Ca 0.18 0.64 -0.37 0.00 -0.04 0.00 0.00 63.50 63.90 3h3b n PRO 106 Cb 0.38 -2.14 -0.09 0.00 -0.04 0.00 0.00 33.50 31.61 3h3b n PRO 106 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h3b s VAL 107 N -1.06 5.28 0.49 0.52 1.01 -1.26 -4.99 120.40 120.38 3h3b s VAL 107 Ca 0.57 0.41 0.28 0.00 0.00 0.00 0.00 61.98 63.24 3h3b s VAL 107 Cb -0.62 -3.61 0.46 0.00 0.00 0.00 0.00 36.38 32.62 3h3b s VAL 107 CO 0.61 0.28 1.84 0.74 0.00 0.00 0.00 175.10 178.58 3h3b h THR 108 N 5.09 0.53 -0.19 3.92 2.02 -1.94 -0.10 112.91 122.25 3h3b h THR 108 Ca -0.36 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.77 3h3b h THR 108 Cb 1.17 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3h3b h THR 108 CO 0.67 0.03 0.00 0.61 0.37 0.00 0.00 175.52 177.20 3h3b n GLY 109 N -1.64 1.50 0.22 2.16 0.00 -1.26 -4.78 105.19 101.38 3h3b n GLY 109 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3h3b n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3b n ALA 110 N 0.44 2.18 -2.17 4.61 0.00 -0.11 -5.05 120.51 120.41 3h3b n ALA 110 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 3h3b n ALA 110 Cb 0.34 0.38 -0.03 0.00 0.00 0.00 0.00 19.45 20.14 3h3b n ALA 110 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3h3b s SER 111 N -3.98 6.81 0.11 0.00 0.01 -0.87 -4.95 113.70 110.83 3h3b s SER 111 Ca 0.00 2.23 -0.35 0.00 1.31 0.00 0.00 55.95 59.14 3h3b s SER 111 Cb 0.00 -2.57 -0.17 0.00 0.21 0.00 0.00 66.02 63.49 3h3b s SER 111 CO 0.00 -0.72 1.06 -2.65 0.41 0.00 0.00 173.24 171.35 3h3b n PRO 112 N 4.91 0.62 -1.99 12.44 -0.02 -1.26 -4.88 135.00 144.81 3h3b n PRO 112 Ca 0.13 0.22 -0.30 0.00 -2.02 0.00 0.00 63.50 61.53 3h3b n PRO 112 Cb 0.43 -1.66 0.03 0.00 -0.02 0.00 0.00 33.50 32.28 3h3b n PRO 112 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3h3b s GLY 113 N -0.08 1.63 0.00 -1.23 0.00 -1.26 -4.87 107.32 101.51 3h3b s GLY 113 Ca 0.79 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.16 3h3b s GLY 113 CO 0.53 -0.02 0.00 0.61 0.00 0.00 0.00 173.10 174.22 3h3b n GLY 114 N -2.86 3.58 3.69 0.20 0.00 0.74 -0.56 105.19 109.98 3h3b n GLY 114 Ca 0.06 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 3h3b n GLY 114 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h3b s LEU 115 N 0.00 4.31 -0.24 0.99 2.96 -0.83 -3.87 118.68 121.99 3h3b s LEU 115 Ca 0.00 1.99 0.04 0.00 -0.22 0.00 0.00 54.13 55.94 3h3b s LEU 115 Cb 0.00 -3.56 -0.17 0.00 0.50 0.00 0.00 46.19 42.96 3h3b s LEU 115 CO 0.00 -0.64 -0.18 0.54 -1.32 0.00 0.00 176.35 174.75 3h3b n ARG 116 N 5.15 0.65 -3.71 1.98 1.74 0.80 -1.44 116.66 121.84 3h3b n ARG 116 Ca 0.12 0.12 -0.11 0.00 -0.77 0.00 0.00 57.85 57.21 3h3b n ARG 116 Cb 0.45 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.29 3h3b n ARG 116 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3h3b s GLU 117 N -2.48 0.36 -0.57 5.56 -1.05 -1.22 -0.67 118.70 118.62 3h3b s GLU 117 Ca -0.30 0.68 -0.20 0.00 -0.15 0.00 0.00 54.97 55.01 3h3b s GLU 117 Cb 0.08 -0.01 0.08 0.00 -0.44 0.00 0.00 34.13 33.84 3h3b s GLU 117 CO 0.59 -0.14 0.74 -1.17 0.95 0.00 0.00 175.26 176.22 3h3b s LEU 118 N 1.17 5.00 -0.85 1.83 0.20 -1.26 -3.19 118.68 121.58 3h3b s LEU 118 Ca -0.08 -1.12 -0.24 0.00 0.69 0.00 0.00 54.13 53.39 3h3b s LEU 118 Cb -0.08 -2.40 0.05 0.00 -0.43 0.00 0.00 46.19 43.33 3h3b s LEU 118 CO -0.10 -1.10 1.27 -1.10 -0.29 0.00 0.00 176.35 175.03 3h3b s GLN 119 N 2.98 3.36 -0.46 1.98 -0.21 -0.86 -4.80 119.66 121.65 3h3b s GLN 119 Ca 0.16 -0.81 0.08 0.00 0.02 0.00 0.00 55.36 54.81 3h3b s GLN 119 Cb -0.21 -4.69 0.38 0.00 1.00 0.00 0.00 33.01 29.49 3h3b s GLN 119 CO 0.10 -2.08 0.93 1.28 -2.12 0.00 0.00 175.29 173.40 3h3b n LEU 120 N 8.63 3.29 0.18 2.90 4.77 -1.26 -1.78 117.00 133.72 3h3b n LEU 120 Ca 0.15 -5.16 0.04 0.00 -0.03 0.00 0.00 56.01 51.00 3h3b n LEU 120 Cb 0.49 -0.11 0.44 0.00 -2.33 0.00 0.00 43.42 41.91 3h3b n LEU 120 CO 0.66 2.21 0.88 0.08 -1.33 0.00 0.00 177.39 179.89 3h3b h ARG 121 N 2.90 0.10 -0.01 3.23 0.11 -1.80 -2.33 114.38 116.58 3h3b h ARG 121 Ca 0.13 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.19 3h3b h ARG 121 Cb 0.79 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.86 3h3b h ARG 121 CO 0.71 0.28 -0.21 0.43 0.10 0.00 0.00 179.97 181.28 3h3b n SER 122 N -4.28 1.12 -4.64 0.08 7.64 -1.17 -3.05 113.62 109.32 3h3b n SER 122 Ca -0.02 -1.00 -0.43 0.00 1.01 0.00 0.00 58.87 58.44 3h3b n SER 122 Cb 0.27 0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 3h3b n SER 122 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3h3b s LEU 123 N -2.42 4.01 0.00 -3.43 2.96 -0.51 -4.21 118.68 115.07 3h3b s LEU 123 Ca 0.27 1.97 0.00 0.00 -0.22 0.00 0.00 54.13 56.14 3h3b s LEU 123 Cb 0.20 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.36 3h3b s LEU 123 CO 0.49 -1.26 0.00 0.35 -1.32 0.00 0.00 176.35 174.61 3h3b n THR 124 N 6.28 0.00 -3.86 3.68 -2.24 -0.68 -4.58 114.28 112.88 3h3b n THR 124 Ca 0.20 -0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.73 3h3b n THR 124 Cb 0.44 0.39 -0.17 0.00 -2.10 0.00 0.00 70.33 68.88 3h3b n THR 124 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h3b s GLU 125 N -1.08 0.54 -0.25 -0.78 2.02 -1.04 -4.24 118.70 113.88 3h3b s GLU 125 Ca 0.00 0.08 0.02 0.00 0.02 0.00 0.00 54.97 55.10 3h3b s GLU 125 Cb 0.00 -0.82 0.06 0.00 0.10 0.00 0.00 34.13 33.46 3h3b s GLU 125 CO 0.00 -0.23 -0.10 0.42 0.02 0.00 0.00 175.26 175.36 3h3b s ILE 126 N 1.62 1.99 -0.05 -1.63 1.01 0.12 -1.47 121.20 122.80 3h3b s ILE 126 Ca -0.01 -1.48 -0.26 0.00 0.00 0.00 0.00 60.65 58.91 3h3b s ILE 126 Cb -0.13 -2.12 -0.22 0.00 0.01 0.00 0.00 42.46 40.01 3h3b s ILE 126 CO -0.03 -0.00 1.13 -0.07 0.00 0.00 0.00 174.94 175.96 3h3b h LEU 127 N 7.83 0.07 -7.87 2.97 3.38 -1.46 -1.62 115.31 118.60 3h3b h LEU 127 Ca -0.21 -0.64 -0.24 0.00 0.09 0.00 0.00 57.88 56.88 3h3b h LEU 127 Cb 1.06 -0.02 -0.26 0.00 0.09 0.00 0.00 40.66 41.53 3h3b h LEU 127 CO 0.46 0.70 -0.72 -0.54 0.09 0.00 0.00 178.44 178.42 3h3b s LYS 128 N -3.65 0.22 0.00 1.13 1.02 -1.03 -3.87 119.74 113.56 3h3b s LYS 128 Ca -0.16 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.56 3h3b s LYS 128 Cb 0.01 -0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.23 3h3b s LYS 128 CO 0.69 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.55 3h3b n GLY 129 N 2.54 0.45 0.00 -3.33 0.00 -1.26 -4.03 105.19 99.56 3h3b n GLY 129 Ca -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3h3b n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3b n GLY 130 N 0.54 2.78 3.28 -0.02 0.00 -0.28 -4.43 105.19 107.06 3h3b n GLY 130 Ca 0.00 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 3h3b n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3b s VAL 131 N 0.67 2.67 -0.28 1.61 1.01 0.15 -1.44 120.40 124.80 3h3b s VAL 131 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3h3b s VAL 131 Cb 0.00 -2.11 0.08 0.00 0.00 0.00 0.00 36.38 34.34 3h3b s VAL 131 CO 0.00 0.52 -0.02 -0.22 0.00 0.00 0.00 175.10 175.38 3h3b s LEU 132 N 0.69 3.30 -0.25 3.92 2.96 0.60 -0.79 118.68 129.11 3h3b s LEU 132 Ca -0.08 -1.54 0.02 0.00 -0.22 0.00 0.00 54.13 52.32 3h3b s LEU 132 Cb -0.16 -1.34 0.06 0.00 0.50 0.00 0.00 46.19 45.25 3h3b s LEU 132 CO 0.02 -0.29 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.04 3h3b s ILE 133 N 1.23 1.91 -0.02 6.68 1.01 -0.31 0.10 121.20 131.80 3h3b s ILE 133 Ca -0.00 -1.47 0.01 0.00 0.00 0.00 0.00 60.65 59.19 3h3b s ILE 133 Cb -0.19 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.22 3h3b s ILE 133 CO -0.09 -0.06 -0.02 -1.10 0.00 0.00 0.00 174.94 173.68 3h3b s GLN 134 N 1.22 0.31 -1.07 2.79 -1.52 -0.20 0.69 119.66 121.88 3h3b s GLN 134 Ca -0.08 -0.01 -0.04 0.00 -1.95 0.00 0.00 55.36 53.28 3h3b s GLN 134 Cb -0.20 -0.41 -0.05 0.00 -0.22 0.00 0.00 33.01 32.14 3h3b s GLN 134 CO -0.05 -0.05 0.92 0.54 -0.25 0.00 0.00 175.29 176.40 3h3b n ARG 135 N 3.66 -3.44 -3.89 2.91 1.74 -1.26 -1.63 116.66 114.75 3h3b n ARG 135 Ca -0.21 0.85 -0.30 0.00 -0.77 0.00 0.00 57.85 57.42 3h3b n ARG 135 Cb 0.54 -5.76 -0.14 0.00 -1.02 0.00 0.00 32.46 26.08 3h3b n ARG 135 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3h3b s ASN 136 N -3.66 4.18 0.36 0.55 0.01 -1.26 -2.47 114.94 112.66 3h3b s ASN 136 Ca 0.32 -2.77 0.04 0.00 -0.71 0.00 0.00 52.86 49.73 3h3b s ASN 136 Cb -0.04 -1.46 0.69 0.00 0.41 0.00 0.00 41.25 40.85 3h3b s ASN 136 CO 0.72 -0.26 2.01 1.55 -1.51 0.00 0.00 177.10 179.61 3h3b h PRO 137 N 6.73 0.78 -0.00 -0.60 0.13 -1.81 -2.59 132.00 134.63 3h3b h PRO 137 Ca -0.06 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3h3b h PRO 137 Cb 0.92 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3h3b h PRO 137 CO 0.61 0.51 -0.67 1.04 -0.23 0.00 0.00 178.00 179.26 3h3b n GLN 138 N -4.45 0.33 -2.42 0.86 6.02 -1.26 -0.90 117.38 115.57 3h3b n GLN 138 Ca 0.07 -0.25 -0.42 0.00 -0.01 0.00 0.00 57.00 56.39 3h3b n GLN 138 Cb 0.08 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 3h3b n GLN 138 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3h3b s LEU 139 N -2.84 4.41 0.29 1.08 2.96 -0.52 -4.27 118.68 119.80 3h3b s LEU 139 Ca 0.13 2.10 0.10 0.00 -0.22 0.00 0.00 54.13 56.24 3h3b s LEU 139 Cb 0.17 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 43.22 3h3b s LEU 139 CO 0.72 -0.41 -0.14 0.00 -1.32 0.00 0.00 176.35 175.20 3h3b n TYR 141 N -0.65 0.00 0.25 0.00 4.01 -1.26 -4.65 117.16 114.86 3h3b n TYR 141 Ca -0.05 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.80 3h3b n TYR 141 Cb 0.62 0.00 0.62 0.00 -0.31 0.00 0.00 39.34 40.27 3h3b n TYR 141 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3h3b h GLN 142 N 3.44 0.00 -0.41 -0.72 7.50 -1.90 -2.92 115.11 120.09 3h3b h GLN 142 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3h3b h GLN 142 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 3h3b h GLN 142 CO 0.00 0.17 0.00 -0.40 -1.50 0.00 0.00 178.83 177.10 3h3b n ASP 143 N -3.58 3.48 0.00 1.46 5.75 -1.26 -3.68 116.55 118.72 3h3b n ASP 143 Ca -0.01 -1.99 0.11 0.00 -0.01 0.00 0.00 54.79 52.89 3h3b n ASP 143 Cb 0.31 -0.27 -0.15 0.00 -1.03 0.00 0.00 41.12 39.98 3h3b n ASP 143 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3h3b n THR 144 N 1.49 0.06 -2.55 2.12 -2.24 -1.11 -4.97 114.28 107.08 3h3b n THR 144 Ca 0.20 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 61.06 3h3b n THR 144 Cb 0.61 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 3h3b n THR 144 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3h3b s ILE 145 N -3.50 4.17 -0.88 2.28 -1.09 -1.22 -4.48 121.20 116.47 3h3b s ILE 145 Ca -0.07 1.71 -0.20 0.00 -2.23 0.00 0.00 60.65 59.86 3h3b s ILE 145 Cb 0.14 -4.09 0.11 0.00 -1.58 0.00 0.00 42.46 37.03 3h3b s ILE 145 CO 0.90 0.22 1.12 -0.22 -1.23 0.00 0.00 174.94 175.73 3h3b s LEU 146 N 0.30 4.77 0.54 2.97 2.96 -1.26 -4.88 118.68 124.09 3h3b s LEU 146 Ca 0.52 -1.77 0.33 0.00 -0.22 0.00 0.00 54.13 52.99 3h3b s LEU 146 Cb -0.27 -2.42 1.41 0.00 0.50 0.00 0.00 46.19 45.41 3h3b s LEU 146 CO 0.31 -1.18 2.01 -0.50 -1.32 0.00 0.00 176.35 175.67 3h3b h TRP 147 N 9.08 0.00 -0.68 5.38 4.06 -1.94 -2.50 115.95 129.35 3h3b h TRP 147 Ca 0.06 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.08 3h3b h TRP 147 Cb 1.03 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.15 3h3b h TRP 147 CO 1.13 0.05 0.45 -0.22 -3.56 0.00 0.00 178.44 176.29 3h3b h LYS 148 N 0.00 0.65 0.00 0.49 3.64 -1.92 0.60 116.57 120.03 3h3b h LYS 148 Ca -0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3h3b h LYS 148 Cb 0.48 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3h3b h LYS 148 CO 0.01 0.43 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.15 3h3b h ASP 149 N 0.67 0.00 0.20 4.20 3.32 -1.84 -3.31 116.42 119.66 3h3b h ASP 149 Ca 0.30 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.00 3h3b h ASP 149 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3h3b h ASP 149 CO -0.10 0.03 -1.89 0.40 -1.72 0.00 0.00 179.24 175.96 3h3b h ILE 150 N 0.00 0.74 -3.11 0.35 2.04 -1.25 -3.45 117.51 112.83 3h3b h ILE 150 Ca -0.00 -2.45 -0.53 0.00 1.00 0.00 0.00 64.86 62.89 3h3b h ILE 150 Cb 0.91 2.56 0.04 0.00 -0.74 0.00 0.00 36.82 39.60 3h3b h ILE 150 CO 0.00 0.84 0.78 -0.36 0.00 0.00 0.00 178.15 179.41 3h3b s PHE 151 N -2.57 3.12 0.47 1.37 2.99 0.06 -0.70 117.98 122.72 3h3b s PHE 151 Ca -0.18 0.90 -0.23 0.00 0.00 0.00 0.00 56.93 57.42 3h3b s PHE 151 Cb 0.07 -3.80 -0.07 0.00 0.00 0.00 0.00 43.02 39.22 3h3b s PHE 151 CO 0.80 -2.75 1.22 -1.58 -0.00 0.00 0.00 175.22 172.91 3h3b s HIS 152 N 0.65 2.73 0.53 0.36 5.65 -0.61 -4.86 115.29 119.74 3h3b s HIS 152 Ca 0.64 1.49 0.32 0.00 0.25 0.00 0.00 55.06 57.76 3h3b s HIS 152 Cb -0.41 -3.51 1.82 0.00 -1.18 0.00 0.00 32.58 29.31 3h3b s HIS 152 CO 0.36 -1.89 2.22 1.57 -0.65 0.00 0.00 174.74 176.34 3h3b h LYS 153 N 1.97 0.00 -0.00 2.88 -0.00 -1.93 -0.11 116.57 119.38 3h3b h LYS 153 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.15 3h3b h LYS 153 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.49 3h3b h LYS 153 CO 0.60 0.04 -0.27 0.09 -0.00 0.00 0.00 179.45 179.90 3h3b n ASN 154 N -3.59 0.70 -4.56 7.07 3.02 -1.26 -4.86 115.26 111.79 3h3b n ASN 154 Ca -0.02 -0.57 -0.38 0.00 -0.03 0.00 0.00 54.58 53.57 3h3b n ASN 154 Cb 0.14 0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 3h3b n ASN 154 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3h3b s ASN 155 N -2.65 5.00 0.26 6.41 3.84 -0.06 -4.81 114.94 122.93 3h3b s ASN 155 Ca 0.21 0.74 0.26 0.00 0.21 0.00 0.00 52.86 54.28 3h3b s ASN 155 Cb 0.19 -2.52 0.74 0.00 -0.55 0.00 0.00 41.25 39.12 3h3b s ASN 155 CO 0.56 -2.51 1.75 0.06 -2.79 0.00 0.00 177.10 174.16 3h3b h GLN 156 N 16.58 0.00 -0.96 0.43 -0.00 -1.87 -3.23 115.11 126.06 3h3b h GLN 156 Ca -0.26 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 57.77 3h3b h GLN 156 Cb 1.21 0.00 -0.36 0.00 -0.00 0.00 0.00 27.48 28.32 3h3b h GLN 156 CO 1.17 0.00 -0.03 1.28 -0.00 0.00 0.00 178.83 181.26 3h3b n LEU 157 N -2.42 6.18 -3.65 0.06 4.77 -1.26 -4.93 117.00 115.75 3h3b n LEU 157 Ca 0.05 -4.60 -0.42 0.00 -0.03 0.00 0.00 56.01 51.02 3h3b n LEU 157 Cb 0.44 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.86 3h3b n LEU 157 CO 0.30 1.84 2.51 0.00 -1.33 0.00 0.00 177.39 180.72 3h3b n ALA 158 N -0.77 4.83 -2.62 -1.18 0.00 -1.22 -1.73 120.51 117.82 3h3b n ALA 158 Ca 0.52 -3.60 -0.37 0.00 0.00 0.00 0.00 53.44 49.99 3h3b n ALA 158 Cb 0.79 -3.55 -0.06 0.00 0.00 0.00 0.00 19.45 16.63 3h3b n ALA 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h3b s LEU 159 N 1.66 4.42 -0.21 0.00 1.43 -1.26 -4.96 118.68 119.76 3h3b s LEU 159 Ca 0.52 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 3h3b s LEU 159 Cb 0.14 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.84 3h3b s LEU 159 CO -0.01 0.30 -0.13 0.42 0.23 0.00 0.00 176.35 177.16 3h3b s THR 160 N -1.16 1.90 -0.61 5.49 -4.23 -1.26 0.33 115.64 116.10 3h3b s THR 160 Ca 0.24 -1.19 0.04 0.00 -1.18 0.00 0.00 61.69 59.60 3h3b s THR 160 Cb -0.15 -1.92 0.15 0.00 1.34 0.00 0.00 72.50 71.92 3h3b s THR 160 CO 0.13 0.19 0.38 -0.22 -0.54 0.00 0.00 174.62 174.56 3h3b s LEU 161 N 1.28 4.59 -0.27 4.79 0.20 0.03 -5.00 118.68 124.30 3h3b s LEU 161 Ca -0.02 -3.38 0.01 0.00 0.69 0.00 0.00 54.13 51.43 3h3b s LEU 161 Cb -0.17 -1.66 0.05 0.00 -0.43 0.00 0.00 46.19 43.99 3h3b s LEU 161 CO -0.08 -0.17 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.10 3h3b s ILE 162 N -0.80 2.52 0.05 6.68 1.01 -1.26 -1.16 121.20 128.23 3h3b s ILE 162 Ca 0.20 -1.45 -0.30 0.00 0.00 0.00 0.00 60.65 59.10 3h3b s ILE 162 Cb -0.16 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 3h3b s ILE 162 CO -0.07 -0.00 1.06 -0.62 0.00 0.00 0.00 174.94 175.30 3h3b s ASP 163 N 1.19 7.28 0.00 3.58 2.15 0.22 -4.95 116.67 126.14 3h3b s ASP 163 Ca -0.06 1.82 0.12 0.00 0.43 0.00 0.00 52.55 54.87 3h3b s ASP 163 Cb -0.19 -2.58 0.07 0.00 -0.30 0.00 0.00 42.92 39.93 3h3b s ASP 163 CO -0.04 -0.30 0.85 0.35 -0.17 0.00 0.00 175.17 175.86 3h3b n THR 164 N 3.66 0.00 -1.71 1.71 -2.24 -1.26 -4.78 114.28 109.66 3h3b n THR 164 Ca 0.06 -0.47 -0.43 0.00 -2.27 0.00 0.00 64.05 60.94 3h3b n THR 164 Cb 0.49 1.23 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 3h3b n THR 164 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3h3b n ASN 165 N 0.48 3.50 -3.96 3.42 3.02 -1.26 -5.00 115.26 115.47 3h3b n ASN 165 Ca 0.07 1.12 -0.09 0.00 -0.03 0.00 0.00 54.58 55.64 3h3b n ASN 165 Cb 0.30 -1.52 -0.11 0.00 -0.61 0.00 0.00 39.78 37.83 3h3b n ASN 165 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3h3b s ARG 166 N 0.13 0.29 0.19 3.52 0.52 -1.26 -4.57 118.95 117.76 3h3b s ARG 166 Ca 0.70 -0.53 0.22 0.00 -0.52 0.00 0.00 55.73 55.60 3h3b s ARG 166 Cb -0.56 0.10 -0.02 0.00 0.52 0.00 0.00 34.95 34.99 3h3b s ARG 166 CO 0.43 -0.05 1.01 -1.13 0.02 0.00 0.00 175.30 175.59 3h3b n SER 167 N 1.76 0.85 -4.29 0.23 3.41 -0.08 -4.93 113.62 110.56 3h3b n SER 167 Ca -0.23 0.34 -0.23 0.00 -0.26 0.00 0.00 58.87 58.49 3h3b n SER 167 Cb 0.56 0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 64.79 3h3b n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h3b s ARG 168 N -3.31 1.16 0.30 4.33 1.70 -1.20 -4.46 118.95 117.46 3h3b s ARG 168 Ca -0.01 -1.23 -0.28 0.00 -0.47 0.00 0.00 55.73 53.74 3h3b s ARG 168 Cb 0.09 -1.34 -0.09 0.00 -0.57 0.00 0.00 34.95 33.04 3h3b s ARG 168 CO 0.79 0.30 0.99 0.00 -1.08 0.00 0.00 175.30 176.29 3h3b s ALA 169 N -1.47 3.27 -0.13 7.88 0.00 -1.26 -5.00 121.76 125.05 3h3b s ALA 169 Ca 0.09 0.65 -0.20 0.00 0.00 0.00 0.00 51.96 52.50 3h3b s ALA 169 Cb -0.08 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3h3b s ALA 169 CO 0.05 0.07 0.55 0.00 0.00 0.00 0.00 175.76 176.43 3h3b s HIS 171 N 1.00 2.93 0.65 0.00 3.76 -1.26 -4.98 115.29 117.40 3h3b s HIS 171 Ca 0.28 1.05 -0.17 0.00 -0.15 0.00 0.00 55.06 56.07 3h3b s HIS 171 Cb -0.16 -3.86 -0.02 0.00 1.11 0.00 0.00 32.58 29.65 3h3b s HIS 171 CO 0.12 -2.74 1.07 -2.30 -0.85 0.00 0.00 174.74 170.03 3h3b n PRO 172 N 1.90 0.84 -1.09 8.40 -0.02 -1.26 -4.91 135.00 138.87 3h3b n PRO 172 Ca 0.05 0.34 -0.35 0.00 -2.02 0.00 0.00 63.50 61.53 3h3b n PRO 172 Cb 0.40 -2.30 0.10 0.00 -0.02 0.00 0.00 33.50 31.68 3h3b n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h3b s SER 174 N -1.80 5.88 0.62 0.00 1.04 -1.26 -4.90 113.70 113.28 3h3b s SER 174 Ca 0.65 2.31 0.41 0.00 0.48 0.00 0.00 55.95 59.80 3h3b s SER 174 Cb -0.29 -2.60 2.25 0.00 0.10 0.00 0.00 66.02 65.48 3h3b s SER 174 CO 0.59 -1.12 2.27 1.55 0.98 0.00 0.00 173.24 177.51 3h3b h PRO 175 N 1.64 0.00 0.00 4.02 0.13 -1.96 -0.67 132.00 135.16 3h3b h PRO 175 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 3h3b h PRO 175 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3h3b h PRO 175 CO 0.58 0.00 -0.10 0.52 -0.23 0.00 0.00 178.00 178.78 3h3b h MET 176 N 0.00 0.00 -5.96 0.86 2.86 -1.94 -3.37 114.93 107.38 3h3b h MET 176 Ca 0.00 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.05 3h3b h MET 176 Cb 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.56 3h3b h MET 176 CO 0.00 0.10 1.11 0.00 1.06 0.00 0.00 176.91 179.17 3h3b s LYS 178 N 4.83 4.20 0.00 0.00 -2.85 -1.26 -1.06 119.74 123.61 3h3b s LYS 178 Ca 0.37 2.40 0.00 0.00 -1.00 0.00 0.00 55.97 57.74 3h3b s LYS 178 Cb -0.06 -3.12 0.00 0.00 -2.06 0.00 0.00 37.83 32.59 3h3b s LYS 178 CO 0.02 -0.59 0.00 0.41 0.10 0.00 0.00 175.35 175.29 3h3b n GLY 179 N 3.35 0.84 3.15 0.59 0.00 -1.26 -4.20 105.19 107.66 3h3b n GLY 179 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3h3b n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h3b n SER 180 N 0.00 -6.10 -4.37 1.61 3.41 -0.22 -4.99 113.62 102.96 3h3b n SER 180 Ca 0.00 -0.35 -0.35 0.00 -0.26 0.00 0.00 58.87 57.91 3h3b n SER 180 Cb 0.00 -4.90 -0.13 0.00 -0.26 0.00 0.00 64.21 58.91 3h3b n SER 180 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3h3b s ARG 181 N -5.85 3.48 0.24 4.33 0.52 -1.26 -4.81 118.95 115.60 3h3b s ARG 181 Ca 0.37 -0.58 -0.16 0.00 -0.52 0.00 0.00 55.73 54.84 3h3b s ARG 181 Cb -0.16 -3.05 0.01 0.00 0.52 0.00 0.00 34.95 32.26 3h3b s ARG 181 CO 0.45 -0.12 0.54 0.00 0.02 0.00 0.00 175.30 176.19 3h3b n TRP 183 N -0.38 0.00 -3.93 0.00 7.02 0.22 -4.60 117.44 115.76 3h3b n TRP 183 Ca -0.05 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.32 3h3b n TRP 183 Cb 0.61 -0.25 -0.01 0.00 -2.42 0.00 0.00 31.31 29.25 3h3b n TRP 183 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3h3b s GLY 184 N -3.34 0.84 0.00 6.99 0.00 -1.25 -4.04 107.32 106.52 3h3b s GLY 184 Ca -0.02 -1.07 0.30 0.00 0.00 0.00 0.00 44.72 43.93 3h3b s GLY 184 CO 0.61 -0.61 2.06 -1.84 0.00 0.00 0.00 173.10 173.32 3h3b n GLU 185 N -0.54 0.77 -2.68 2.90 0.28 -1.26 -4.72 120.64 115.39 3h3b n GLU 185 Ca -0.04 -0.11 -0.28 0.00 -0.16 0.00 0.00 57.16 56.57 3h3b n GLU 185 Cb 0.61 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.97 3h3b n GLU 185 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3h3b s SER 186 N -2.30 6.34 0.00 -1.84 0.15 -1.26 -4.06 113.70 110.73 3h3b s SER 186 Ca 0.36 1.00 0.23 0.00 0.70 0.00 0.00 55.95 58.24 3h3b s SER 186 Cb 0.21 -2.28 1.01 0.00 -1.71 0.00 0.00 66.02 63.26 3h3b s SER 186 CO 0.42 -0.53 1.73 -1.54 1.20 0.00 0.00 173.24 174.52 3h3b n SER 187 N -1.97 0.00 -1.83 5.45 3.41 -1.26 -2.24 113.62 115.17 3h3b n SER 187 Ca 0.01 0.36 0.07 0.00 -0.26 0.00 0.00 58.87 59.05 3h3b n SER 187 Cb 0.55 -0.45 0.39 0.00 -0.26 0.00 0.00 64.21 64.44 3h3b n SER 187 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h3b n GLU 188 N -1.45 4.70 -0.01 4.33 1.02 -1.26 -4.38 120.64 123.60 3h3b n GLU 188 Ca 0.07 -3.04 0.01 0.00 -0.02 0.00 0.00 57.16 54.18 3h3b n GLU 188 Cb 0.24 -2.22 0.02 0.00 -0.02 0.00 0.00 31.44 29.46 3h3b n GLU 188 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3h3b n ASP 189 N 0.66 2.01 -4.74 1.62 8.00 -0.95 -4.86 116.55 118.28 3h3b n ASP 189 Ca 0.27 -2.11 -0.34 0.00 0.71 0.00 0.00 54.79 53.32 3h3b n ASP 189 Cb 1.15 -0.05 0.06 0.00 -0.02 0.00 0.00 41.12 42.26 3h3b n ASP 189 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h3b s GLN 191 N -3.81 4.31 0.00 0.00 0.74 -0.93 -4.61 119.66 115.36 3h3b s GLN 191 Ca 0.73 2.09 0.27 0.00 0.05 0.00 0.00 55.36 58.50 3h3b s GLN 191 Cb -0.27 -3.26 0.80 0.00 1.10 0.00 0.00 33.01 31.38 3h3b s GLN 191 CO 0.41 -0.46 1.61 0.45 -0.55 0.00 0.00 175.29 176.74