#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1up1 s LYS 8 N 0.00 4.32 0.41 -0.52 2.20 -1.26 -5.05 119.74 119.84 1up1 s LYS 8 Ca 0.00 0.84 -0.25 0.00 -0.36 0.00 0.00 55.97 56.21 1up1 s LYS 8 Cb 0.00 -3.27 -0.08 0.00 -1.51 0.00 0.00 37.83 32.96 1up1 s LYS 8 CO 0.00 0.55 1.13 -1.21 -0.36 0.00 0.00 175.35 175.46 1up1 s GLU 9 N -0.86 4.06 0.16 4.03 8.01 -1.26 -4.95 118.70 127.89 1up1 s GLU 9 Ca 0.31 1.73 -0.34 0.00 0.01 0.00 0.00 54.97 56.68 1up1 s GLU 9 Cb -0.20 -2.61 -0.15 0.00 -4.31 0.00 0.00 34.13 26.86 1up1 s GLU 9 CO 0.20 -0.29 1.41 -2.30 0.01 0.00 0.00 175.26 174.30 1up1 n PRO 10 N -0.03 1.71 -0.29 0.39 -0.02 -1.26 -4.85 135.00 130.66 1up1 n PRO 10 Ca 0.05 0.62 0.23 0.00 -2.02 0.00 0.00 63.50 62.37 1up1 n PRO 10 Cb 0.48 -2.28 0.54 0.00 -0.02 0.00 0.00 33.50 32.21 1up1 n PRO 10 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1up1 h GLU 11 N 4.78 0.35 -0.39 -0.52 4.81 -1.97 0.25 114.58 121.88 1up1 h GLU 11 Ca -0.45 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.81 1up1 h GLU 11 Cb 1.29 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1up1 h GLU 11 CO 0.80 0.23 0.26 0.37 -0.73 0.00 0.00 179.01 179.94 1up1 h GLN 12 N 0.36 0.31 -0.00 1.92 5.75 -1.97 -0.53 115.11 120.93 1up1 h GLN 12 Ca 0.55 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 59.03 1up1 h GLN 12 Cb 1.47 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.95 1up1 h GLN 12 CO -0.23 0.20 -0.10 1.28 -2.65 0.00 0.00 178.83 177.34 1up1 n LEU 13 N -4.48 0.35 -0.58 -2.39 4.77 0.07 -3.46 117.00 111.29 1up1 n LEU 13 Ca 0.05 0.09 0.05 0.00 -0.03 0.00 0.00 56.01 56.16 1up1 n LEU 13 Cb 0.23 -0.22 0.14 0.00 -2.33 0.00 0.00 43.42 41.24 1up1 n LEU 13 CO 0.35 0.07 0.62 0.54 -1.33 0.00 0.00 177.39 177.63 1up1 n ARG 14 N -1.07 2.89 -4.20 3.23 1.74 -0.22 -4.76 116.66 114.27 1up1 n ARG 14 Ca 0.14 -2.01 -0.35 0.00 -0.77 0.00 0.00 57.85 54.86 1up1 n ARG 14 Cb 0.27 -1.25 -0.09 0.00 -1.02 0.00 0.00 32.46 30.37 1up1 n ARG 14 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1up1 s LYS 15 N -1.03 3.40 -0.10 5.56 2.20 -1.17 -0.66 119.74 127.94 1up1 s LYS 15 Ca 0.21 -0.36 0.03 0.00 -0.36 0.00 0.00 55.97 55.50 1up1 s LYS 15 Cb 0.11 -2.98 -0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1up1 s LYS 15 CO 0.14 0.55 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.96 1up1 s LEU 16 N -0.44 2.24 -0.13 5.43 1.43 0.10 -2.07 118.68 125.24 1up1 s LEU 16 Ca 0.09 -0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 52.47 1up1 s LEU 16 Cb -0.12 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 1up1 s LEU 16 CO 0.02 0.17 0.70 0.12 0.23 0.00 0.00 176.35 177.60 1up1 s PHE 17 N 0.27 3.48 -0.35 0.29 2.19 0.90 -1.14 117.98 123.62 1up1 s PHE 17 Ca -0.15 1.14 -0.03 0.00 0.33 0.00 0.00 56.93 58.22 1up1 s PHE 17 Cb -0.17 -2.84 0.07 0.00 -1.31 0.00 0.00 43.02 38.77 1up1 s PHE 17 CO 0.08 -0.06 0.10 0.42 1.83 0.00 0.00 175.22 177.58 1up1 s ILE 18 N 1.43 3.24 0.42 3.12 -1.09 0.65 -1.02 121.20 127.95 1up1 s ILE 18 Ca 0.35 -1.61 0.04 0.00 -2.23 0.00 0.00 60.65 57.20 1up1 s ILE 18 Cb -0.17 -3.01 0.01 0.00 -1.58 0.00 0.00 42.46 37.71 1up1 s ILE 18 CO 0.14 -0.36 0.60 -0.83 -1.23 0.00 0.00 174.94 173.26 1up1 s GLY 19 N 1.51 1.72 -0.30 6.18 0.00 -0.32 -0.98 107.32 115.13 1up1 s GLY 19 Ca 0.01 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1up1 s GLY 19 CO -0.02 -1.23 0.00 0.61 0.00 0.00 0.00 173.10 172.47 1up1 n GLY 20 N -1.93 0.51 3.76 0.20 0.00 -0.84 -0.10 105.19 106.80 1up1 n GLY 20 Ca 0.04 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 1up1 n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up1 s LEU 21 N -0.73 3.91 0.40 0.99 1.43 0.32 -4.54 118.68 120.45 1up1 s LEU 21 Ca 0.00 2.43 -0.27 0.00 -1.03 0.00 0.00 54.13 55.26 1up1 s LEU 21 Cb 0.00 -4.32 -0.10 0.00 0.03 0.00 0.00 46.19 41.81 1up1 s LEU 21 CO 0.00 -1.19 1.40 -0.55 0.23 0.00 0.00 176.35 176.24 1up1 s SER 22 N -1.31 6.26 0.39 2.29 0.15 -1.26 -4.66 113.70 115.56 1up1 s SER 22 Ca 0.68 2.88 0.27 0.00 0.70 0.00 0.00 55.95 60.48 1up1 s SER 22 Cb -0.32 -2.65 1.35 0.00 -1.71 0.00 0.00 66.02 62.69 1up1 s SER 22 CO 0.37 -0.91 1.83 -0.26 1.20 0.00 0.00 173.24 175.48 1up1 h PHE 23 N 2.79 0.00 0.00 3.44 -1.00 -1.94 -2.22 116.94 118.00 1up1 h PHE 23 Ca -0.50 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.26 1up1 h PHE 23 Cb 1.25 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.80 1up1 h PHE 23 CO 0.53 0.00 -0.10 1.49 -1.61 0.00 0.00 178.31 178.62 1up1 h GLU 24 N 0.00 0.00 -6.77 1.51 4.81 -1.95 -3.42 114.58 108.77 1up1 h GLU 24 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 1up1 h GLU 24 Cb 0.17 0.00 0.06 0.00 0.63 0.00 0.00 28.75 29.61 1up1 h GLU 24 CO 0.00 0.10 0.75 0.99 -0.73 0.00 0.00 179.01 180.12 1up1 s THR 25 N -3.34 2.62 0.40 0.32 2.01 -0.84 -5.02 115.64 111.79 1up1 s THR 25 Ca 0.04 0.53 0.08 0.00 0.31 0.00 0.00 61.69 62.65 1up1 s THR 25 Cb 0.07 -3.34 -0.07 0.00 0.01 0.00 0.00 72.50 69.17 1up1 s THR 25 CO 0.65 0.09 0.01 0.42 -0.69 0.00 0.00 174.62 175.10 1up1 s THR 26 N -0.15 2.11 0.29 -0.82 -4.23 -1.26 -4.98 115.64 106.59 1up1 s THR 26 Ca 0.58 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1up1 s THR 26 Cb -0.42 -2.93 0.28 0.00 1.34 0.00 0.00 72.50 70.77 1up1 s THR 26 CO 0.45 -0.04 1.75 0.44 -0.54 0.00 0.00 174.62 176.68 1up1 h ASP 27 N 1.78 0.62 -0.20 3.99 5.19 -1.91 -0.49 116.42 125.40 1up1 h ASP 27 Ca -0.43 0.11 -0.10 0.00 -0.62 0.00 0.00 57.03 55.99 1up1 h ASP 27 Cb 1.24 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.76 1up1 h ASP 27 CO 0.77 0.19 -0.26 -0.33 -3.12 0.00 0.00 179.24 176.49 1up1 h GLU 28 N 0.64 0.53 -0.13 3.56 3.07 -1.95 -0.73 114.58 119.57 1up1 h GLU 28 Ca 0.55 -0.30 -0.15 0.00 -0.50 0.00 0.00 59.36 58.95 1up1 h GLU 28 Cb 0.88 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 1up1 h GLU 28 CO -0.41 0.90 -0.58 0.66 -1.40 0.00 0.00 179.01 178.18 1up1 h SER 29 N 0.19 0.46 -0.27 1.42 4.64 -1.83 -0.19 113.55 117.97 1up1 h SER 29 Ca 0.02 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.06 1up1 h SER 29 Cb 0.83 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1up1 h SER 29 CO 0.06 0.94 0.06 0.25 -0.87 0.00 0.00 176.83 177.27 1up1 h LEU 30 N 0.31 0.42 -0.32 5.97 5.85 -1.09 -1.87 115.31 124.58 1up1 h LEU 30 Ca -0.00 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1up1 h LEU 30 Cb 1.11 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1up1 h LEU 30 CO 0.10 0.56 0.16 -0.09 -0.34 0.00 0.00 178.44 178.83 1up1 h ARG 31 N 0.27 0.46 -0.77 1.25 2.43 -0.97 -1.02 114.38 116.03 1up1 h ARG 31 Ca 0.08 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1up1 h ARG 31 Cb 0.31 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 1up1 h ARG 31 CO 0.00 0.42 0.46 0.77 -1.51 0.00 0.00 179.97 180.12 1up1 h SER 32 N 0.39 0.72 0.84 -3.80 0.02 -0.93 -0.14 113.55 110.65 1up1 h SER 32 Ca 0.11 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1up1 h SER 32 Cb 0.11 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.53 1up1 h SER 32 CO -0.01 0.46 -0.41 -0.74 -1.14 0.00 0.00 176.83 174.99 1up1 h HIS 33 N 0.85 -1.05 0.00 3.45 -0.00 -1.10 -3.30 115.15 114.00 1up1 h HIS 33 Ca 0.34 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.69 1up1 h HIS 33 Cb 0.17 0.35 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 1up1 h HIS 33 CO -0.05 -0.65 0.00 0.74 -0.00 0.00 0.00 177.93 177.97 1up1 h PHE 34 N -1.31 0.00 0.00 5.26 0.04 -1.02 -2.41 116.94 117.51 1up1 h PHE 34 Ca -0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1up1 h PHE 34 Cb 0.87 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1up1 h PHE 34 CO -0.00 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 178.10 1up1 n GLU 35 N -2.71 0.05 0.27 1.51 1.02 -0.08 -1.94 120.64 118.75 1up1 n GLU 35 Ca 0.02 0.41 0.13 0.00 -0.02 0.00 0.00 57.16 57.69 1up1 n GLU 35 Cb 0.31 -1.61 0.76 0.00 -0.02 0.00 0.00 31.44 30.88 1up1 n GLU 35 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1up1 h GLN 36 N 0.00 0.00 -0.38 3.49 4.20 -1.57 -2.99 115.11 117.85 1up1 h GLN 36 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1up1 h GLN 36 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1up1 h GLN 36 CO 0.00 0.08 0.00 0.91 -0.67 0.00 0.00 178.83 179.15 1up1 n TRP 37 N -3.82 0.55 0.00 2.96 8.01 -0.82 -5.06 117.44 119.27 1up1 n TRP 37 Ca -0.02 -0.52 0.00 0.00 -1.31 0.00 0.00 57.50 55.65 1up1 n TRP 37 Cb 0.18 -0.04 0.00 0.00 -2.01 0.00 0.00 31.31 29.44 1up1 n TRP 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1up1 n GLY 38 N 0.57 1.97 3.68 6.99 0.00 -1.13 -4.59 105.19 112.67 1up1 n GLY 38 Ca 0.13 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1up1 n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1up1 s THR 39 N -1.99 3.95 -0.29 2.61 2.01 -1.26 -4.33 115.64 116.34 1up1 s THR 39 Ca 0.00 1.25 -0.13 0.00 0.31 0.00 0.00 61.69 63.12 1up1 s THR 39 Cb 0.00 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1up1 s THR 39 CO 0.00 -0.05 0.30 -0.76 -0.69 0.00 0.00 174.62 173.42 1up1 s LEU 40 N 2.92 4.15 0.33 4.42 1.43 -1.26 -0.97 118.68 129.69 1up1 s LEU 40 Ca 0.61 0.03 0.24 0.00 -1.03 0.00 0.00 54.13 53.98 1up1 s LEU 40 Cb -0.28 -2.28 0.36 0.00 0.03 0.00 0.00 46.19 44.02 1up1 s LEU 40 CO 0.23 -0.17 1.50 0.71 0.23 0.00 0.00 176.35 178.85 1up1 h THR 41 N 5.42 0.00 -2.46 5.49 1.35 -0.75 -3.47 112.91 118.49 1up1 h THR 41 Ca -0.32 -0.87 -0.07 0.00 -0.55 0.00 0.00 66.41 64.60 1up1 h THR 41 Cb 1.17 1.73 -0.18 0.00 -1.73 0.00 0.00 68.15 69.14 1up1 h THR 41 CO 0.62 0.00 0.06 -0.62 -0.25 0.00 0.00 175.52 175.33 1up1 s ASP 42 N -5.59 -0.51 -0.30 5.36 2.15 -1.16 -4.97 116.67 111.65 1up1 s ASP 42 Ca 0.06 0.41 -0.08 0.00 0.43 0.00 0.00 52.55 53.37 1up1 s ASP 42 Cb 0.08 0.49 0.16 0.00 -0.30 0.00 0.00 42.92 43.35 1up1 s ASP 42 CO 0.69 -0.63 0.73 0.00 -0.17 0.00 0.00 175.17 175.78 1up1 s VAL 44 N 2.82 0.43 -0.19 0.00 1.01 0.12 -4.85 120.40 119.74 1up1 s VAL 44 Ca 0.04 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 1up1 s VAL 44 Cb -0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1up1 s VAL 44 CO -0.19 0.17 0.28 -0.69 0.00 0.00 0.00 175.10 174.68 1up1 s VAL 45 N 0.55 5.30 0.01 2.92 1.01 -1.26 -0.98 120.40 127.95 1up1 s VAL 45 Ca -0.07 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1up1 s VAL 45 Cb -0.10 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1up1 s VAL 45 CO -0.00 0.35 1.12 -0.04 0.00 0.00 0.00 175.10 176.53 1up1 s MET 46 N 0.77 4.45 0.12 2.72 -1.94 0.07 -4.93 119.30 120.57 1up1 s MET 46 Ca 0.15 1.63 0.08 0.00 -1.71 0.00 0.00 55.69 55.83 1up1 s MET 46 Cb -0.13 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.24 1up1 s MET 46 CO 0.04 -0.24 -0.19 1.03 -0.01 0.00 0.00 175.02 175.66 1up1 s ARG 47 N 1.33 1.14 0.29 2.03 0.52 -1.26 -0.29 118.95 122.71 1up1 s ARG 47 Ca 0.56 -1.23 -0.30 0.00 -0.52 0.00 0.00 55.73 54.24 1up1 s ARG 47 Cb -0.25 -1.28 -0.11 0.00 0.52 0.00 0.00 34.95 33.82 1up1 s ARG 47 CO 0.27 0.28 1.59 0.34 0.02 0.00 0.00 175.30 177.80 1up1 s ASP 48 N -2.17 6.37 0.58 0.23 2.15 -0.21 -4.86 116.67 118.75 1up1 s ASP 48 Ca 0.09 2.95 0.34 0.00 0.43 0.00 0.00 52.55 56.36 1up1 s ASP 48 Cb -0.08 -2.64 1.78 0.00 -0.30 0.00 0.00 42.92 41.68 1up1 s ASP 48 CO 0.05 -0.91 2.17 1.55 -0.17 0.00 0.00 175.17 177.85 1up1 h PRO 49 N 4.81 0.00 0.00 4.34 0.13 -1.97 -1.45 132.00 137.86 1up1 h PRO 49 Ca -0.47 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.23 1up1 h PRO 49 Cb 1.22 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 1up1 h PRO 49 CO 0.79 0.05 -2.44 0.09 -0.23 0.00 0.00 178.00 176.26 1up1 n ASN 50 N -3.38 1.87 0.07 1.44 3.02 -1.26 -4.65 115.26 112.37 1up1 n ASN 50 Ca -0.02 0.24 0.12 0.00 -0.03 0.00 0.00 54.58 54.89 1up1 n ASN 50 Cb 0.18 -0.70 0.12 0.00 -0.61 0.00 0.00 39.78 38.77 1up1 n ASN 50 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1up1 h THR 51 N -0.78 0.00 0.00 3.41 1.35 -1.98 -3.47 112.91 111.44 1up1 h THR 51 Ca -0.64 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1up1 h THR 51 Cb 1.62 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1up1 h THR 51 CO -0.35 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.21 1up1 n LYS 52 N -2.25 -1.31 -2.49 4.72 4.76 -0.54 -4.96 118.16 116.09 1up1 n LYS 52 Ca 0.02 0.33 -0.41 0.00 -2.87 0.00 0.00 58.31 55.39 1up1 n LYS 52 Cb 0.47 -4.49 -0.04 0.00 -1.84 0.00 0.00 35.03 29.13 1up1 n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1up1 s ARG 53 N -1.44 4.62 0.61 1.97 3.52 -1.26 -4.64 118.95 122.32 1up1 s ARG 53 Ca 0.00 1.77 -0.19 0.00 -0.13 0.00 0.00 55.73 57.18 1up1 s ARG 53 Cb 0.00 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 1up1 s ARG 53 CO 0.00 0.15 1.21 0.45 -0.81 0.00 0.00 175.30 176.30 1up1 n SER 54 N 1.73 1.85 -0.75 -2.12 2.88 -1.26 -1.05 113.62 114.91 1up1 n SER 54 Ca 0.01 0.86 0.12 0.00 -1.33 0.00 0.00 58.87 58.54 1up1 n SER 54 Cb 0.45 -1.51 0.32 0.00 -0.75 0.00 0.00 64.21 62.72 1up1 n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1up1 n ARG 55 N -1.39 2.02 -0.86 -1.46 1.74 0.60 -4.76 116.66 112.55 1up1 n ARG 55 Ca 0.14 -1.49 0.00 0.00 -0.77 0.00 0.00 57.85 55.72 1up1 n ARG 55 Cb 0.47 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1up1 n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1up1 n GLY 56 N 1.27 0.58 3.44 -0.13 0.00 -1.26 -5.01 105.19 104.09 1up1 n GLY 56 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1up1 n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1up1 s PHE 57 N -2.05 0.37 0.00 1.61 -0.71 -1.26 -0.52 117.98 115.41 1up1 s PHE 57 Ca 0.00 -0.72 0.00 0.00 -1.04 0.00 0.00 56.93 55.17 1up1 s PHE 57 Cb 0.00 0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.87 1up1 s PHE 57 CO 0.00 -0.84 0.00 0.41 -1.34 0.00 0.00 175.22 173.45 1up1 n GLY 58 N -0.30 1.64 3.07 1.99 0.00 -0.15 -0.75 105.19 110.69 1up1 n GLY 58 Ca -0.05 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 1up1 n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1up1 s PHE 59 N -7.25 -0.11 0.04 1.61 0.08 -0.16 -0.25 117.98 111.94 1up1 s PHE 59 Ca 0.00 0.27 0.06 0.00 0.12 0.00 0.00 56.93 57.38 1up1 s PHE 59 Cb 0.00 0.03 -0.02 0.00 -0.57 0.00 0.00 43.02 42.46 1up1 s PHE 59 CO 0.00 -0.16 -0.17 0.14 -0.10 0.00 0.00 175.22 174.93 1up1 s VAL 60 N -0.39 1.35 -0.16 -0.44 -7.23 -0.29 -0.70 120.40 112.53 1up1 s VAL 60 Ca -0.05 -1.08 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1up1 s VAL 60 Cb -0.03 -1.20 0.02 0.00 0.56 0.00 0.00 36.38 35.73 1up1 s VAL 60 CO 0.01 0.10 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.82 1up1 s THR 61 N -0.82 1.87 0.42 5.32 2.01 0.50 0.02 115.64 124.96 1up1 s THR 61 Ca 0.04 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1up1 s THR 61 Cb -0.08 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 1up1 s THR 61 CO 0.01 0.51 0.65 -0.31 -0.69 0.00 0.00 174.62 174.80 1up1 s TYR 62 N 1.22 3.46 0.25 4.92 2.02 0.17 -0.06 117.35 129.32 1up1 s TYR 62 Ca 0.01 0.47 0.22 0.00 -0.37 0.00 0.00 57.07 57.41 1up1 s TYR 62 Cb -0.14 -2.13 0.99 0.00 -0.40 0.00 0.00 41.96 40.28 1up1 s TYR 62 CO -0.09 -0.12 1.87 0.00 -1.57 0.00 0.00 175.55 175.64 1up1 h ALA 63 N 0.49 1.12 -2.43 3.71 0.00 -1.37 -3.43 119.26 117.35 1up1 h ALA 63 Ca -0.48 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.09 1up1 h ALA 63 Cb 1.22 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 1up1 h ALA 63 CO 0.61 0.31 -0.49 0.95 0.00 0.00 0.00 179.25 180.63 1up1 s THR 64 N -3.85 0.16 0.28 0.00 -4.23 -1.26 -4.83 115.64 101.91 1up1 s THR 64 Ca -0.01 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.02 1up1 s THR 64 Cb 0.12 -1.53 0.11 0.00 1.34 0.00 0.00 72.50 72.53 1up1 s THR 64 CO 0.64 -0.71 1.77 0.58 -0.54 0.00 0.00 174.62 176.37 1up1 h VAL 65 N 2.87 1.24 -0.74 2.29 2.07 -1.89 -2.39 116.25 119.70 1up1 h VAL 65 Ca -0.34 -1.05 0.08 0.00 0.82 0.00 0.00 66.70 66.22 1up1 h VAL 65 Cb 1.18 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 1up1 h VAL 65 CO 0.59 0.35 0.48 -0.33 0.02 0.00 0.00 177.57 178.68 1up1 h GLU 66 N 0.57 0.68 -0.27 1.57 5.08 -1.96 -1.00 114.58 119.26 1up1 h GLU 66 Ca 0.11 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.26 1up1 h GLU 66 Cb 0.50 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1up1 h GLU 66 CO 0.03 0.45 -0.48 0.93 -1.00 0.00 0.00 179.01 178.94 1up1 h GLU 67 N 0.70 0.73 -0.40 2.33 5.08 -1.70 -0.62 114.58 120.70 1up1 h GLU 67 Ca 0.33 -0.42 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1up1 h GLU 67 Cb 0.37 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1up1 h GLU 67 CO -0.12 1.05 0.17 0.28 -1.00 0.00 0.00 179.01 179.39 1up1 h VAL 68 N 0.58 0.92 -0.61 3.13 2.07 -1.12 0.01 116.25 121.22 1up1 h VAL 68 Ca 0.03 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1up1 h VAL 68 Cb 1.05 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1up1 h VAL 68 CO 0.10 0.06 0.37 0.44 0.02 0.00 0.00 177.57 178.57 1up1 h ASP 69 N 0.35 0.60 -0.52 0.57 3.32 -0.89 0.22 116.42 120.07 1up1 h ASP 69 Ca 0.18 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1up1 h ASP 69 Cb 0.13 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1up1 h ASP 69 CO -0.16 0.42 0.25 0.00 -1.72 0.00 0.00 179.24 178.03 1up1 h ALA 70 N 1.27 0.67 -0.51 3.45 0.00 -0.64 0.17 119.26 123.68 1up1 h ALA 70 Ca 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1up1 h ALA 70 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1up1 h ALA 70 CO -0.11 0.24 0.24 0.00 0.00 0.00 0.00 179.25 179.61 1up1 h ALA 71 N 1.09 0.66 -0.44 0.00 0.00 -0.41 -1.76 119.26 118.40 1up1 h ALA 71 Ca 0.18 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1up1 h ALA 71 Cb 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1up1 h ALA 71 CO -0.02 0.23 -0.03 0.52 0.00 0.00 0.00 179.25 179.95 1up1 h MET 72 N 0.68 0.72 0.00 0.00 2.07 -0.29 -2.13 114.93 115.97 1up1 h MET 72 Ca 0.17 -0.20 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 1up1 h MET 72 Cb 0.14 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 29.78 1up1 h MET 72 CO -0.02 0.75 0.00 -0.91 1.07 0.00 0.00 176.91 177.80 1up1 h ASN 73 N 0.67 0.00 -0.28 1.22 2.35 -0.26 -2.67 115.58 116.61 1up1 h ASN 73 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1up1 h ASN 73 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1up1 h ASN 73 CO 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 1up1 n ALA 74 N -2.09 2.48 -1.45 -0.83 0.00 -0.70 -4.90 120.51 113.03 1up1 n ALA 74 Ca 0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 53.44 52.48 1up1 n ALA 74 Cb 0.27 -1.02 0.07 0.00 0.00 0.00 0.00 19.45 18.77 1up1 n ALA 74 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1up1 s ARG 75 N -1.63 2.49 0.35 0.00 0.52 -1.01 -4.23 118.95 115.44 1up1 s ARG 75 Ca 0.30 1.60 -0.26 0.00 -0.52 0.00 0.00 55.73 56.84 1up1 s ARG 75 Cb 0.16 -1.89 -0.09 0.00 0.52 0.00 0.00 34.95 33.65 1up1 s ARG 75 CO 0.23 -1.53 1.08 -2.14 0.02 0.00 0.00 175.30 172.95 1up1 s PRO 76 N -3.94 4.34 -0.18 3.54 0.02 -1.26 -5.11 135.00 132.40 1up1 s PRO 76 Ca 0.71 1.65 -0.09 0.00 0.02 0.00 0.00 61.00 63.29 1up1 s PRO 76 Cb -0.25 -2.80 -0.05 0.00 0.02 0.00 0.00 34.50 31.42 1up1 s PRO 76 CO 0.42 -0.02 0.12 -1.01 -0.33 0.00 0.00 177.00 176.19 1up1 s HIS 77 N -1.44 3.43 -0.29 6.54 3.76 -1.26 -5.06 115.29 120.97 1up1 s HIS 77 Ca 0.53 0.34 -0.01 0.00 -0.15 0.00 0.00 55.06 55.77 1up1 s HIS 77 Cb -0.27 -2.11 0.05 0.00 1.11 0.00 0.00 32.58 31.37 1up1 s HIS 77 CO 0.34 0.37 -0.02 0.21 -0.85 0.00 0.00 174.74 174.78 1up1 s LYS 78 N 0.08 2.44 -0.19 1.40 2.20 -1.26 -1.60 119.74 122.81 1up1 s LYS 78 Ca 0.09 -1.25 -0.02 0.00 -0.36 0.00 0.00 55.97 54.42 1up1 s LYS 78 Cb -0.11 -3.13 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 1up1 s LYS 78 CO -0.01 -0.60 -0.08 0.08 -0.36 0.00 0.00 175.35 174.38 1up1 s VAL 79 N 1.24 3.19 -1.61 4.02 1.01 0.12 -4.53 120.40 123.84 1up1 s VAL 79 Ca -0.05 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1up1 s VAL 79 Cb -0.20 -2.41 0.11 0.00 0.00 0.00 0.00 36.38 33.89 1up1 s VAL 79 CO -0.02 0.47 0.73 0.47 0.00 0.00 0.00 175.10 176.75 1up1 n ASP 80 N 4.32 -2.79 0.00 3.32 8.00 -1.26 -0.98 116.55 127.15 1up1 n ASP 80 Ca -0.18 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1up1 n ASP 80 Cb 0.51 -2.99 0.00 0.00 -0.02 0.00 0.00 41.12 38.62 1up1 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1up1 n GLY 81 N -1.59 0.88 3.17 0.44 0.00 -1.26 -4.88 105.19 101.95 1up1 n GLY 81 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1up1 n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1up1 s ARG 82 N -0.23 2.12 -0.10 1.61 3.52 -0.15 -5.08 118.95 120.64 1up1 s ARG 82 Ca 0.00 -0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 54.61 1up1 s ARG 82 Cb 0.00 -1.78 -0.03 0.00 -1.56 0.00 0.00 34.95 31.58 1up1 s ARG 82 CO 0.00 0.25 1.24 0.08 -0.81 0.00 0.00 175.30 176.06 1up1 s VAL 83 N 0.08 4.23 0.58 7.11 1.01 -1.26 0.15 120.40 132.30 1up1 s VAL 83 Ca -0.07 1.53 0.09 0.00 0.00 0.00 0.00 61.98 63.53 1up1 s VAL 83 Cb -0.13 -3.98 0.09 0.00 0.00 0.00 0.00 36.38 32.35 1up1 s VAL 83 CO 0.04 -0.06 0.73 1.33 0.00 0.00 0.00 175.10 177.13 1up1 n VAL 84 N 4.95 0.00 -3.69 2.92 0.24 -0.63 -4.86 118.33 117.26 1up1 n VAL 84 Ca 0.12 -1.99 -0.30 0.00 -2.04 0.00 0.00 64.34 60.14 1up1 n VAL 84 Cb 0.45 -0.42 -0.13 0.00 -1.47 0.00 0.00 33.84 32.28 1up1 n VAL 84 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1up1 s GLU 85 N -4.57 1.15 0.20 7.34 2.12 0.86 -4.64 118.70 121.17 1up1 s GLU 85 Ca 0.55 -1.84 -0.30 0.00 0.36 0.00 0.00 54.97 53.75 1up1 s GLU 85 Cb -0.04 -2.21 -0.08 0.00 0.26 0.00 0.00 34.13 32.06 1up1 s GLU 85 CO 0.35 -1.14 1.07 -2.14 -0.54 0.00 0.00 175.26 172.86 1up1 s PRO 86 N 0.57 4.64 -0.04 4.30 0.02 -1.26 -1.18 135.00 142.06 1up1 s PRO 86 Ca 0.17 1.69 -0.10 0.00 0.02 0.00 0.00 61.00 62.78 1up1 s PRO 86 Cb -0.24 -3.26 0.02 0.00 0.02 0.00 0.00 34.50 31.04 1up1 s PRO 86 CO -0.02 0.17 0.23 0.15 -0.33 0.00 0.00 177.00 177.20 1up1 s LYS 87 N -0.69 0.46 0.37 5.54 1.02 -0.19 -4.98 119.74 121.26 1up1 s LYS 87 Ca 0.47 -0.03 -0.27 0.00 0.02 0.00 0.00 55.97 56.16 1up1 s LYS 87 Cb -0.29 0.20 -0.09 0.00 -0.52 0.00 0.00 37.83 37.13 1up1 s LYS 87 CO 0.36 -0.10 1.21 1.03 -0.92 0.00 0.00 175.35 176.92 1up1 s ARG 88 N -0.74 4.19 0.52 1.68 0.52 -1.26 -0.07 118.95 123.78 1up1 s ARG 88 Ca -0.08 1.96 -0.21 0.00 -0.52 0.00 0.00 55.73 56.88 1up1 s ARG 88 Cb -0.05 -2.85 -0.08 0.00 0.52 0.00 0.00 34.95 32.50 1up1 s ARG 88 CO 0.02 -0.24 0.92 0.00 0.02 0.00 0.00 175.30 176.02 1up1 n ALA 89 N 0.40 0.00 -1.13 2.13 0.00 -0.88 -4.79 120.51 116.25 1up1 n ALA 89 Ca 0.02 0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 1up1 n ALA 89 Cb 0.45 -2.06 0.03 0.00 0.00 0.00 0.00 19.45 17.87 1up1 n ALA 89 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1up1 n VAL 90 N -1.17 0.00 -3.19 0.00 0.24 -1.26 -4.94 118.33 108.00 1up1 n VAL 90 Ca 0.11 -0.15 0.04 0.00 -2.04 0.00 0.00 64.34 62.31 1up1 n VAL 90 Cb 0.44 -1.78 -0.02 0.00 -1.47 0.00 0.00 33.84 31.01 1up1 n VAL 90 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1up1 s SER 91 N -1.82 -0.68 -0.28 -1.34 1.04 -1.26 -5.03 113.70 104.33 1up1 s SER 91 Ca 0.12 0.50 -0.27 0.00 0.48 0.00 0.00 55.95 56.78 1up1 s SER 91 Cb -0.00 1.60 0.01 0.00 0.10 0.00 0.00 66.02 67.72 1up1 s SER 91 CO 0.09 -0.13 0.97 -0.60 0.98 0.00 0.00 173.24 174.55 1up1 s ARG 92 N 2.85 4.11 0.00 4.02 3.52 -1.26 -5.06 118.95 127.12 1up1 s ARG 92 Ca 0.03 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 1up1 s ARG 92 Cb -0.11 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 1up1 s ARG 92 CO -0.14 -0.74 0.00 0.41 -0.81 0.00 0.00 175.30 174.02 1up1 n GLY 99 N 3.79 1.23 0.34 8.12 0.00 -1.26 -5.14 105.19 112.26 1up1 n GLY 99 Ca 0.09 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.43 1up1 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1up1 n ALA 100 N 0.00 1.05 -2.35 4.61 0.00 -1.26 -3.70 120.51 118.87 1up1 n ALA 100 Ca 0.00 0.94 -0.31 0.00 0.00 0.00 0.00 53.44 54.07 1up1 n ALA 100 Cb 0.00 -0.98 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 1up1 n ALA 100 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1up1 s HIS 101 N -5.38 2.39 0.00 0.00 2.46 -1.26 -5.09 115.29 108.41 1up1 s HIS 101 Ca -0.08 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.06 1up1 s HIS 101 Cb 0.32 -1.49 0.00 0.00 -0.13 0.00 0.00 32.58 31.28 1up1 s HIS 101 CO 0.75 0.04 0.05 1.28 -2.47 0.00 0.00 174.74 174.39 1up1 n LEU 102 N 2.23 1.44 -4.57 8.88 4.77 -1.24 -4.77 117.00 123.73 1up1 n LEU 102 Ca -0.16 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.46 1up1 n LEU 102 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1up1 n LEU 102 CO 0.24 0.00 1.34 -0.89 -1.33 0.00 0.00 177.39 176.74 1up1 s THR 103 N -0.10 3.68 0.23 -5.08 2.01 -1.26 -4.97 115.64 110.15 1up1 s THR 103 Ca 0.00 0.56 0.02 0.00 0.31 0.00 0.00 61.69 62.57 1up1 s THR 103 Cb 0.00 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1up1 s THR 103 CO 0.00 -1.08 0.06 0.68 -0.69 0.00 0.00 174.62 173.59 1up1 s VAL 104 N 6.64 0.62 -0.69 3.82 -7.23 -1.26 -5.06 120.40 117.24 1up1 s VAL 104 Ca 0.57 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1up1 s VAL 104 Cb -0.12 -2.47 0.09 0.00 0.56 0.00 0.00 36.38 34.44 1up1 s VAL 104 CO 0.25 -0.16 0.85 0.29 -0.31 0.00 0.00 175.10 176.02 1up1 n LYS 105 N -0.40 0.94 -4.56 4.82 5.02 -1.26 -4.15 118.16 118.58 1up1 n LYS 105 Ca -0.02 -1.20 -0.24 0.00 -2.02 0.00 0.00 58.31 54.82 1up1 n LYS 105 Cb 0.65 -1.13 -0.14 0.00 -0.02 0.00 0.00 35.03 34.39 1up1 n LYS 105 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1up1 s LYS 106 N -0.69 1.29 0.13 1.97 2.20 -1.26 -0.41 119.74 122.96 1up1 s LYS 106 Ca 0.09 -0.93 0.08 0.00 -0.36 0.00 0.00 55.97 54.85 1up1 s LYS 106 Cb 0.06 -1.40 -0.04 0.00 -1.51 0.00 0.00 37.83 34.94 1up1 s LYS 106 CO 0.08 0.35 -0.20 0.96 -0.36 0.00 0.00 175.35 176.19 1up1 s ILE 107 N -0.84 1.74 -0.07 5.43 -4.36 -0.45 -0.09 121.20 122.56 1up1 s ILE 107 Ca 0.06 -1.69 -0.15 0.00 -0.26 0.00 0.00 60.65 58.61 1up1 s ILE 107 Cb -0.09 -1.66 -0.05 0.00 1.25 0.00 0.00 42.46 41.91 1up1 s ILE 107 CO 0.02 -0.17 0.38 0.12 0.24 0.00 0.00 174.94 175.53 1up1 s PHE 108 N -1.53 3.60 -0.23 1.37 2.19 0.30 -1.82 117.98 121.86 1up1 s PHE 108 Ca 0.10 0.85 0.01 0.00 0.33 0.00 0.00 56.93 58.22 1up1 s PHE 108 Cb -0.08 -2.35 0.06 0.00 -1.31 0.00 0.00 43.02 39.34 1up1 s PHE 108 CO 0.05 0.43 -0.07 0.08 1.83 0.00 0.00 175.22 177.55 1up1 s VAL 109 N -0.28 1.62 0.37 3.12 1.01 0.78 -1.42 120.40 125.60 1up1 s VAL 109 Ca 0.22 -1.24 0.08 0.00 0.00 0.00 0.00 61.98 61.04 1up1 s VAL 109 Cb -0.15 -1.84 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 1up1 s VAL 109 CO 0.10 -0.06 0.06 -0.83 0.00 0.00 0.00 175.10 174.37 1up1 s GLY 110 N 1.36 2.19 -0.18 4.51 0.00 0.07 0.03 107.32 115.31 1up1 s GLY 110 Ca -0.06 -2.04 0.00 0.00 0.00 0.00 0.00 44.72 42.62 1up1 s GLY 110 CO -0.06 -1.93 0.00 0.61 0.00 0.00 0.00 173.10 171.72 1up1 n GLY 111 N -1.03 0.45 0.03 0.20 0.00 -0.55 -1.74 105.19 102.55 1up1 n GLY 111 Ca -0.03 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.16 1up1 n GLY 111 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1up1 n ILE 112 N -3.29 0.17 -4.85 -0.61 -5.35 -1.04 -4.62 119.36 99.77 1up1 n ILE 112 Ca -0.02 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1up1 n ILE 112 Cb 0.21 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 1up1 n ILE 112 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1up1 n LYS 113 N -1.83 0.00 0.10 6.28 5.02 -1.25 -3.90 118.16 122.58 1up1 n LYS 113 Ca 0.04 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.41 1up1 n LYS 113 Cb 0.40 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.40 1up1 n LYS 113 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1up1 h GLU 114 N 0.00 0.00 -0.00 1.97 5.08 -1.94 -3.32 114.58 116.36 1up1 h GLU 114 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1up1 h GLU 114 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1up1 h GLU 114 CO 0.00 0.08 -0.09 -0.40 -1.00 0.00 0.00 179.01 177.60 1up1 n ASP 115 N -2.78 0.52 -4.71 1.42 5.75 -1.26 -4.85 116.55 110.64 1up1 n ASP 115 Ca -0.02 -0.68 -0.40 0.00 -0.01 0.00 0.00 54.79 53.68 1up1 n ASP 115 Cb 0.62 -0.06 -0.04 0.00 -1.03 0.00 0.00 41.12 40.61 1up1 n ASP 115 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1up1 s THR 116 N -2.40 4.98 0.36 2.12 2.01 -1.25 -5.05 115.64 116.41 1up1 s THR 116 Ca 0.31 1.62 0.07 0.00 0.31 0.00 0.00 61.69 64.00 1up1 s THR 116 Cb 0.20 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 1up1 s THR 116 CO 0.46 0.20 0.33 -1.61 -0.69 0.00 0.00 174.62 173.31 1up1 s GLU 117 N 1.01 2.71 0.41 4.92 2.02 -1.26 -5.02 118.70 123.49 1up1 s GLU 117 Ca 0.41 -1.33 0.13 0.00 0.02 0.00 0.00 54.97 54.20 1up1 s GLU 117 Cb -0.18 -2.49 0.97 0.00 0.10 0.00 0.00 34.13 32.53 1up1 s GLU 117 CO 0.20 0.02 1.94 1.49 0.02 0.00 0.00 175.26 178.93 1up1 h GLU 118 N 1.16 0.48 0.00 1.61 4.81 -1.97 -0.62 114.58 120.04 1up1 h GLU 118 Ca -0.44 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 1up1 h GLU 118 Cb 1.26 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1up1 h GLU 118 CO 0.57 0.32 -0.23 1.12 -0.73 0.00 0.00 179.01 180.05 1up1 h HIS 119 N 0.49 0.00 0.06 0.92 2.07 -1.98 0.19 115.15 116.90 1up1 h HIS 119 Ca 0.34 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.85 1up1 h HIS 119 Cb 0.64 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.62 1up1 h HIS 119 CO -0.00 0.23 -0.03 0.45 -3.07 0.00 0.00 177.93 175.51 1up1 h HIS 120 N 0.00 -0.08 -0.24 6.12 3.86 -1.51 -0.89 115.15 122.41 1up1 h HIS 120 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1up1 h HIS 120 Cb 0.56 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 1up1 h HIS 120 CO 0.00 0.30 0.16 -0.07 0.86 0.00 0.00 177.93 179.18 1up1 h LEU 121 N -0.46 0.28 0.22 2.43 3.38 -1.35 -2.42 115.31 117.39 1up1 h LEU 121 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1up1 h LEU 121 Cb 0.41 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1up1 h LEU 121 CO 0.01 0.21 -0.10 -0.09 0.09 0.00 0.00 178.44 178.57 1up1 h ARG 122 N 0.33 -0.28 -0.79 1.13 2.43 -0.64 0.18 114.38 116.74 1up1 h ARG 122 Ca 0.09 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.42 1up1 h ARG 122 Cb -0.03 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 1up1 h ARG 122 CO -0.02 -0.06 0.52 -0.44 -1.51 0.00 0.00 179.97 178.46 1up1 h ASP 123 N -0.45 0.48 0.06 -3.80 3.32 -1.16 -0.00 116.42 114.87 1up1 h ASP 123 Ca -0.03 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1up1 h ASP 123 Cb 0.34 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1up1 h ASP 123 CO 0.05 0.25 -0.03 0.22 -1.72 0.00 0.00 179.24 178.01 1up1 h TYR 124 N 0.52 -0.07 0.00 4.55 3.20 -1.21 -3.39 116.97 120.56 1up1 h TYR 124 Ca 0.39 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1up1 h TYR 124 Cb 0.77 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1up1 h TYR 124 CO -0.00 -0.05 0.00 0.74 -1.64 0.00 0.00 178.16 177.21 1up1 h PHE 125 N -0.88 0.00 0.00 -3.82 0.04 -0.49 -3.06 116.94 108.73 1up1 h PHE 125 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1up1 h PHE 125 Cb 0.06 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 1up1 h PHE 125 CO 0.00 0.00 -0.07 1.05 -0.60 0.00 0.00 178.31 178.70 1up1 h GLU 126 N 0.00 0.00 0.00 1.51 4.11 -1.19 -0.83 114.58 118.18 1up1 h GLU 126 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1up1 h GLU 126 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1up1 h GLU 126 CO 0.00 0.07 0.00 1.04 0.07 0.00 0.00 179.01 180.19 1up1 n GLN 127 N -3.29 0.83 -0.04 1.06 6.02 -1.16 -2.86 117.38 117.94 1up1 n GLN 127 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1up1 n GLN 127 Cb 0.26 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.87 1up1 n GLN 127 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1up1 n TYR 128 N -1.07 0.19 0.00 1.08 4.01 -0.32 -5.08 117.16 115.98 1up1 n TYR 128 Ca 0.21 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 1up1 n TYR 128 Cb 0.13 -0.84 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 1up1 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1up1 n GLY 129 N 1.51 -0.70 3.68 2.72 0.00 -1.14 -4.30 105.19 106.96 1up1 n GLY 129 Ca -0.18 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 1up1 n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1up1 s LYS 130 N -2.00 4.31 0.02 1.61 2.20 -1.26 -4.37 119.74 120.24 1up1 s LYS 130 Ca 0.00 1.75 -0.23 0.00 -0.36 0.00 0.00 55.97 57.13 1up1 s LYS 130 Cb 0.00 -3.61 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 1up1 s LYS 130 CO 0.00 -0.54 0.70 0.42 -0.36 0.00 0.00 175.35 175.58 1up1 s ILE 131 N 2.55 4.81 -0.21 5.43 1.01 -1.26 -1.39 121.20 132.15 1up1 s ILE 131 Ca 0.58 1.48 -0.01 0.00 0.00 0.00 0.00 60.65 62.70 1up1 s ILE 131 Cb -0.26 -4.05 -0.12 0.00 0.01 0.00 0.00 42.46 38.04 1up1 s ILE 131 CO 0.22 0.37 -0.20 -0.62 0.00 0.00 0.00 174.94 174.71 1up1 n GLU 132 N 2.85 0.50 -3.95 2.79 1.02 0.19 -4.87 120.64 119.16 1up1 n GLU 132 Ca -0.04 0.14 -0.14 0.00 -0.02 0.00 0.00 57.16 57.10 1up1 n GLU 132 Cb 0.51 -1.38 -0.15 0.00 -0.02 0.00 0.00 31.44 30.40 1up1 n GLU 132 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1up1 s VAL 133 N -2.40 0.13 -0.17 2.62 1.01 -0.75 -4.97 120.40 115.86 1up1 s VAL 133 Ca -0.28 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1up1 s VAL 133 Cb 0.08 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.35 1up1 s VAL 133 CO 0.45 0.06 -0.12 -0.63 0.00 0.00 0.00 175.10 174.86 1up1 s ILE 134 N 0.22 1.56 -0.33 2.22 1.01 -1.26 0.04 121.20 124.66 1up1 s ILE 134 Ca -0.02 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1up1 s ILE 134 Cb -0.04 -1.57 0.10 0.00 0.01 0.00 0.00 42.46 40.96 1up1 s ILE 134 CO -0.01 0.30 0.04 -0.70 0.00 0.00 0.00 174.94 174.57 1up1 s GLU 135 N 1.46 1.47 -0.23 2.79 2.12 0.34 -4.99 118.70 121.66 1up1 s GLU 135 Ca 0.02 -1.74 -0.27 0.00 0.36 0.00 0.00 54.97 53.34 1up1 s GLU 135 Cb -0.15 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1up1 s GLU 135 CO -0.09 -0.91 0.93 0.42 -0.54 0.00 0.00 175.26 175.07 1up1 s ILE 136 N 0.99 4.76 0.22 -3.70 1.01 -1.26 -0.98 121.20 122.25 1up1 s ILE 136 Ca 0.09 1.79 -0.30 0.00 0.00 0.00 0.00 60.65 62.23 1up1 s ILE 136 Cb -0.19 -4.21 -0.08 0.00 0.01 0.00 0.00 42.46 37.99 1up1 s ILE 136 CO -0.09 -0.12 1.09 -0.04 0.00 0.00 0.00 174.94 175.78 1up1 s MET 137 N 2.99 4.63 0.07 2.79 -1.94 -0.50 -4.99 119.30 122.34 1up1 s MET 137 Ca 0.39 1.74 0.04 0.00 -1.71 0.00 0.00 55.69 56.16 1up1 s MET 137 Cb -0.15 -3.24 -0.03 0.00 2.01 0.00 0.00 34.83 33.42 1up1 s MET 137 CO 0.07 0.15 -0.12 0.95 -0.01 0.00 0.00 175.02 176.06 1up1 s THR 138 N -0.64 0.97 0.22 2.05 -4.23 -1.26 -0.93 115.64 111.82 1up1 s THR 138 Ca 0.47 -1.33 -0.32 0.00 -1.18 0.00 0.00 61.69 59.34 1up1 s THR 138 Cb -0.30 -1.04 -0.12 0.00 1.34 0.00 0.00 72.50 72.39 1up1 s THR 138 CO 0.37 -0.32 1.68 -0.62 -0.54 0.00 0.00 174.62 175.19 1up1 s ASP 139 N -1.84 6.41 0.32 3.99 2.15 0.25 -4.82 116.67 123.12 1up1 s ASP 139 Ca -0.02 2.85 0.09 0.00 0.43 0.00 0.00 52.55 55.89 1up1 s ASP 139 Cb -0.09 -2.60 0.83 0.00 -0.30 0.00 0.00 42.92 40.76 1up1 s ASP 139 CO 0.02 -0.94 1.76 -0.09 -0.17 0.00 0.00 175.17 175.74 1up1 h ARG 140 N 6.47 0.64 0.00 4.34 9.65 -1.96 0.12 114.38 133.64 1up1 h ARG 140 Ca -0.44 -0.04 -0.37 0.00 -1.10 0.00 0.00 59.98 58.04 1up1 h ARG 140 Cb 1.20 -0.14 -0.07 0.00 -1.39 0.00 0.00 29.97 29.57 1up1 h ARG 140 CO 0.92 0.42 -2.39 0.41 2.80 0.00 0.00 179.97 182.13 1up1 n GLY 141 N -1.34 -0.86 0.04 2.80 0.00 -1.26 -4.68 105.19 99.89 1up1 n GLY 141 Ca 0.25 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1up1 n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1up1 n SER 142 N -2.85 1.54 0.00 1.61 3.41 -1.19 -4.99 113.62 111.14 1up1 n SER 142 Ca -0.35 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1up1 n SER 142 Cb 1.12 1.30 0.00 0.00 -0.26 0.00 0.00 64.21 66.36 1up1 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1up1 n GLY 143 N 1.87 0.78 3.77 5.00 0.00 0.42 -4.95 105.19 112.08 1up1 n GLY 143 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1up1 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1up1 s LYS 144 N -0.31 4.28 0.26 1.61 1.02 -1.26 -4.38 119.74 120.96 1up1 s LYS 144 Ca 0.00 1.81 -0.30 0.00 0.02 0.00 0.00 55.97 57.49 1up1 s LYS 144 Cb 0.00 -2.84 -0.11 0.00 -0.52 0.00 0.00 37.83 34.36 1up1 s LYS 144 CO 0.00 -0.12 1.57 0.15 -0.92 0.00 0.00 175.35 176.03 1up1 s LYS 145 N -2.03 4.17 0.00 1.68 1.02 -1.26 0.86 119.74 124.18 1up1 s LYS 145 Ca 0.53 2.49 0.25 0.00 0.02 0.00 0.00 55.97 59.26 1up1 s LYS 145 Cb -0.30 -3.06 0.56 0.00 -0.52 0.00 0.00 37.83 34.50 1up1 s LYS 145 CO 0.39 -0.59 1.45 0.54 -0.92 0.00 0.00 175.35 176.21 1up1 n ARG 146 N 2.58 0.12 -0.31 1.68 1.74 -0.10 -4.72 116.66 117.65 1up1 n ARG 146 Ca 0.09 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1up1 n ARG 146 Cb 0.38 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 1up1 n ARG 146 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1up1 n GLY 147 N 1.48 0.82 3.48 -0.13 0.00 -1.25 -4.89 105.19 104.69 1up1 n GLY 147 Ca 0.06 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 1up1 n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1up1 s PHE 148 N -2.00 -0.34 0.17 1.61 -0.71 -1.26 -1.48 117.98 113.97 1up1 s PHE 148 Ca 0.00 0.05 -0.09 0.00 -1.04 0.00 0.00 56.93 55.86 1up1 s PHE 148 Cb 0.00 0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 42.28 1up1 s PHE 148 CO 0.00 -0.88 0.28 0.00 -1.34 0.00 0.00 175.22 173.27 1up1 s ALA 149 N -3.81 0.06 -0.08 1.99 0.00 0.10 -1.41 121.76 118.61 1up1 s ALA 149 Ca 0.04 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1up1 s ALA 149 Cb -0.01 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1up1 s ALA 149 CO -0.08 -0.65 -0.21 -0.06 0.00 0.00 0.00 175.76 174.77 1up1 s PHE 150 N -3.98 2.21 -0.12 0.00 0.08 -0.15 -0.16 117.98 115.87 1up1 s PHE 150 Ca 0.18 -0.85 0.01 0.00 0.12 0.00 0.00 56.93 56.39 1up1 s PHE 150 Cb 0.03 -1.50 -0.01 0.00 -0.57 0.00 0.00 43.02 40.97 1up1 s PHE 150 CO 0.01 -0.35 -0.15 0.08 -0.10 0.00 0.00 175.22 174.71 1up1 s VAL 151 N 0.35 2.85 -0.18 -0.44 1.01 -0.76 -0.50 120.40 122.73 1up1 s VAL 151 Ca -0.15 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1up1 s VAL 151 Cb -0.17 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1up1 s VAL 151 CO 0.07 0.54 -0.08 -0.89 0.00 0.00 0.00 175.10 174.74 1up1 s THR 152 N 0.24 3.31 0.45 3.92 2.01 0.11 -1.34 115.64 124.33 1up1 s THR 152 Ca -0.10 -0.54 0.08 0.00 0.31 0.00 0.00 61.69 61.44 1up1 s THR 152 Cb -0.16 -2.45 0.02 0.00 0.01 0.00 0.00 72.50 69.91 1up1 s THR 152 CO 0.06 0.47 0.55 -0.36 -0.69 0.00 0.00 174.62 174.65 1up1 s PHE 153 N 0.90 2.49 -1.95 4.92 0.40 0.45 0.54 117.98 125.73 1up1 s PHE 153 Ca -0.02 -0.50 0.28 0.00 -0.60 0.00 0.00 56.93 56.09 1up1 s PHE 153 Cb -0.15 -2.27 1.13 0.00 0.51 0.00 0.00 43.02 42.24 1up1 s PHE 153 CO 0.00 -0.46 1.79 -0.40 0.70 0.00 0.00 175.22 176.85 1up1 n ASP 154 N -1.83 0.85 -3.72 1.36 5.68 -0.48 -4.69 116.55 113.72 1up1 n ASP 154 Ca 0.08 -0.96 -0.13 0.00 -0.50 0.00 0.00 54.79 53.27 1up1 n ASP 154 Cb 0.60 0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 40.50 1up1 n ASP 154 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1up1 s ASP 155 N -2.30 -0.44 0.53 -1.12 2.15 -1.26 -5.05 116.67 109.18 1up1 s ASP 155 Ca 0.32 0.81 0.29 0.00 0.43 0.00 0.00 52.55 54.40 1up1 s ASP 155 Cb 0.20 0.83 1.49 0.00 -0.30 0.00 0.00 42.92 45.14 1up1 s ASP 155 CO 0.44 -0.20 2.07 1.12 -0.17 0.00 0.00 175.17 178.42 1up1 h HIS 156 N 5.17 0.00 -0.05 -5.34 2.07 -1.91 -3.01 115.15 112.09 1up1 h HIS 156 Ca -0.27 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.16 1up1 h HIS 156 Cb 1.18 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.15 1up1 h HIS 156 CO 0.41 0.10 -0.36 0.22 -3.07 0.00 0.00 177.93 175.23 1up1 h ASP 157 N 0.00 0.09 -0.22 3.10 3.58 -1.96 0.19 116.42 121.21 1up1 h ASP 157 Ca -0.00 -0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.45 1up1 h ASP 157 Cb 0.36 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 1up1 h ASP 157 CO 0.01 0.45 0.03 0.28 -2.88 0.00 0.00 179.24 177.14 1up1 h SER 158 N 0.08 -0.01 -0.62 2.28 0.02 -1.71 0.11 113.55 113.70 1up1 h SER 158 Ca 0.01 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1up1 h SER 158 Cb 0.68 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1up1 h SER 158 CO 0.05 0.02 0.16 0.58 -1.14 0.00 0.00 176.83 176.50 1up1 h VAL 159 N 0.11 1.25 -0.76 2.27 2.07 -1.51 -1.20 116.25 118.49 1up1 h VAL 159 Ca 0.10 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1up1 h VAL 159 Cb 0.10 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1up1 h VAL 159 CO -0.14 0.34 0.31 0.44 0.02 0.00 0.00 177.57 178.53 1up1 h ASP 160 N 0.90 1.03 -0.52 0.57 3.32 -0.59 -1.15 116.42 119.99 1up1 h ASP 160 Ca 0.20 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 1up1 h ASP 160 Cb 0.34 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1up1 h ASP 160 CO 0.00 0.92 -0.15 0.11 -1.72 0.00 0.00 179.24 178.40 1up1 h LYS 161 N 1.10 1.03 0.16 3.56 1.57 -0.53 -3.23 116.57 120.22 1up1 h LYS 161 Ca 0.25 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1up1 h LYS 161 Cb 0.20 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1up1 h LYS 161 CO -0.02 1.09 -0.07 0.82 -0.57 0.00 0.00 179.45 180.69 1up1 h ILE 162 N 0.90 0.96 0.00 1.86 2.04 -0.77 -3.23 117.51 119.26 1up1 h ILE 162 Ca 0.13 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1up1 h ILE 162 Cb 0.73 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1up1 h ILE 162 CO 0.06 0.12 0.00 -0.37 0.00 0.00 0.00 178.15 177.96 1up1 h VAL 163 N -0.46 0.00 -0.00 1.67 -1.51 -1.29 -1.86 116.25 112.80 1up1 h VAL 163 Ca -0.02 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1up1 h VAL 163 Cb 0.36 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1up1 h VAL 163 CO 0.04 0.00 -0.35 2.30 -1.23 0.00 0.00 177.57 178.33 1up1 n ILE 164 N -2.41 0.00 -2.22 7.19 -5.35 -1.22 -4.84 119.36 110.51 1up1 n ILE 164 Ca 0.02 -0.01 -0.41 0.00 -0.27 0.00 0.00 62.75 62.07 1up1 n ILE 164 Cb 0.24 0.08 -0.03 0.00 -1.74 0.00 0.00 39.64 38.19 1up1 n ILE 164 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1up1 s GLN 165 N -2.92 4.41 0.27 6.28 -1.52 -0.70 -4.94 119.66 120.53 1up1 s GLN 165 Ca 0.14 2.06 0.05 0.00 -1.95 0.00 0.00 55.36 55.66 1up1 s GLN 165 Cb 0.18 -3.17 0.37 0.00 -0.22 0.00 0.00 33.01 30.18 1up1 s GLN 165 CO 0.63 -0.19 1.65 0.87 -0.25 0.00 0.00 175.29 178.01 1up1 h LYS 166 N 4.79 0.29 -4.98 2.91 1.57 -1.88 -3.46 116.57 115.81 1up1 h LYS 166 Ca -0.46 -0.15 -0.33 0.00 -1.87 0.00 0.00 60.65 57.84 1up1 h LYS 166 Cb 1.22 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.34 1up1 h LYS 166 CO 0.74 0.69 -0.74 0.71 -0.57 0.00 0.00 179.45 180.27 1up1 s TYR 167 N -4.09 1.03 -0.04 -1.35 2.02 -1.26 -5.09 117.35 108.57 1up1 s TYR 167 Ca -0.05 -0.59 -0.02 0.00 -0.37 0.00 0.00 57.07 56.04 1up1 s TYR 167 Cb 0.13 -0.57 0.03 0.00 -0.40 0.00 0.00 41.96 41.15 1up1 s TYR 167 CO 0.79 -0.00 0.07 -1.01 -1.57 0.00 0.00 175.55 173.83 1up1 s HIS 168 N -2.01 0.03 -0.25 2.71 3.76 -1.26 -5.05 115.29 113.22 1up1 s HIS 168 Ca 0.01 0.30 -0.00 0.00 -0.15 0.00 0.00 55.06 55.22 1up1 s HIS 168 Cb -0.06 -0.46 0.04 0.00 1.11 0.00 0.00 32.58 33.21 1up1 s HIS 168 CO 0.01 -0.20 -0.09 0.99 -0.85 0.00 0.00 174.74 174.60 1up1 s THR 169 N 2.18 2.61 -0.10 1.30 2.01 -1.26 -0.36 115.64 122.03 1up1 s THR 169 Ca 0.05 -1.19 0.00 0.00 0.31 0.00 0.00 61.69 60.86 1up1 s THR 169 Cb -0.12 -2.36 0.02 0.00 0.01 0.00 0.00 72.50 70.05 1up1 s THR 169 CO -0.03 0.16 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.27 1up1 s VAL 170 N 1.26 1.10 -1.35 3.82 1.01 0.11 -4.76 120.40 121.59 1up1 s VAL 170 Ca -0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 1up1 s VAL 170 Cb -0.17 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1up1 s VAL 170 CO -0.05 0.37 1.06 -3.20 0.00 0.00 0.00 175.10 173.28 1up1 n ASN 171 N 4.59 -4.63 0.00 3.32 5.15 -1.26 -1.09 115.26 121.34 1up1 n ASN 171 Ca -0.16 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 1up1 n ASN 171 Cb 0.51 -4.74 0.00 0.00 -0.53 0.00 0.00 39.78 35.01 1up1 n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1up1 n GLY 172 N -1.72 1.73 3.80 8.20 0.00 -1.26 -4.96 105.19 110.99 1up1 n GLY 172 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1up1 n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1up1 s HIS 173 N -2.17 3.79 -0.52 1.61 3.76 -0.25 -5.02 115.29 116.49 1up1 s HIS 173 Ca 0.00 1.41 -0.20 0.00 -0.15 0.00 0.00 55.06 56.12 1up1 s HIS 173 Cb 0.00 -2.61 0.06 0.00 1.11 0.00 0.00 32.58 31.14 1up1 s HIS 173 CO 0.00 0.49 0.68 1.21 -0.85 0.00 0.00 174.74 176.27 1up1 s ASN 174 N -1.29 6.24 0.27 1.40 2.47 -1.26 -0.71 114.94 122.05 1up1 s ASN 174 Ca 0.35 -0.86 -0.03 0.00 0.42 0.00 0.00 52.86 52.74 1up1 s ASN 174 Cb -0.20 -2.31 -0.05 0.00 -1.45 0.00 0.00 41.25 37.24 1up1 s ASN 174 CO 0.22 -0.96 0.51 0.00 -3.72 0.00 0.00 177.10 173.15 1up1 s GLU 176 N -3.58 3.56 -0.03 0.00 2.12 -0.71 -4.24 118.70 115.82 1up1 s GLU 176 Ca 0.42 -0.57 0.07 0.00 0.36 0.00 0.00 54.97 55.25 1up1 s GLU 176 Cb -0.11 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 1up1 s GLU 176 CO 0.30 -0.33 -0.25 0.08 -0.54 0.00 0.00 175.26 174.52 1up1 s VAL 177 N 1.67 2.12 0.16 3.70 1.01 -1.26 -0.75 120.40 127.06 1up1 s VAL 177 Ca 0.06 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.86 1up1 s VAL 177 Cb -0.17 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 1up1 s VAL 177 CO 0.08 0.58 0.32 0.00 0.00 0.00 0.00 175.10 176.07 1up1 s ARG 178 N -0.50 1.16 0.30 2.72 1.70 -0.51 -4.89 118.95 118.92 1up1 s ARG 178 Ca 0.07 -1.09 -0.29 0.00 -0.47 0.00 0.00 55.73 53.94 1up1 s ARG 178 Cb -0.11 0.40 -0.10 0.00 -0.57 0.00 0.00 34.95 34.57 1up1 s ARG 178 CO 0.00 -0.43 1.24 0.15 -1.08 0.00 0.00 175.30 175.17 1up1 s LYS 179 N -3.94 4.46 -0.03 3.89 1.02 -1.26 -0.54 119.74 123.33 1up1 s LYS 179 Ca 0.14 2.05 0.07 0.00 0.02 0.00 0.00 55.97 58.25 1up1 s LYS 179 Cb 0.03 -3.13 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1up1 s LYS 179 CO -0.02 -0.06 -0.24 0.00 -0.92 0.00 0.00 175.35 174.11 1up1 s ALA 180 N -0.98 2.02 0.21 5.17 0.00 0.88 -4.62 121.76 124.44 1up1 s ALA 180 Ca 0.48 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.33 1up1 s ALA 180 Cb -0.37 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1up1 s ALA 180 CO 0.47 0.45 0.36 -1.17 0.00 0.00 0.00 175.76 175.87 1up1 s LEU 181 N -0.38 0.64 0.00 0.00 2.96 -1.26 -4.12 118.68 116.52 1up1 s LEU 181 Ca 0.04 -0.95 0.27 0.00 -0.22 0.00 0.00 54.13 53.27 1up1 s LEU 181 Cb -0.11 1.39 0.84 0.00 0.50 0.00 0.00 46.19 48.81 1up1 s LEU 181 CO 0.01 -1.01 1.63 -1.20 -1.32 0.00 0.00 176.35 174.46