#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u90 s LEU 12 N 0.00 4.50 0.29 2.46 1.43 -1.26 -5.02 118.68 121.09 1u90 s LEU 12 Ca 0.00 2.13 -0.29 0.00 -1.03 0.00 0.00 54.13 54.94 1u90 s LEU 12 Cb 0.00 -3.73 -0.10 0.00 0.03 0.00 0.00 46.19 42.39 1u90 s LEU 12 CO 0.00 -0.12 1.19 0.00 0.23 0.00 0.00 176.35 177.65 1u90 s ALA 13 N -1.27 3.45 -0.14 4.21 0.00 -1.26 -4.82 121.76 121.93 1u90 s ALA 13 Ca 0.46 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 53.44 1u90 s ALA 13 Cb -0.28 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 1u90 s ALA 13 CO 0.36 -0.37 -0.05 -1.17 0.00 0.00 0.00 175.76 174.53 1u90 s LEU 14 N -1.48 3.19 -0.11 0.00 0.20 -1.26 -1.34 118.68 117.88 1u90 s LEU 14 Ca 0.47 -0.13 0.03 0.00 0.69 0.00 0.00 54.13 55.19 1u90 s LEU 14 Cb -0.35 -1.76 0.00 0.00 -0.43 0.00 0.00 46.19 43.65 1u90 s LEU 14 CO 0.45 0.19 -0.23 -1.00 -0.29 0.00 0.00 176.35 175.48 1u90 s HIS 15 N 0.20 2.61 -0.36 5.38 3.76 -0.52 -5.01 115.29 121.35 1u90 s HIS 15 Ca -0.03 -1.10 -0.13 0.00 -0.15 0.00 0.00 55.06 53.66 1u90 s HIS 15 Cb -0.14 -1.75 0.00 0.00 1.11 0.00 0.00 32.58 31.80 1u90 s HIS 15 CO 0.03 -0.46 0.24 0.15 -0.85 0.00 0.00 174.74 173.86 1u90 s LYS 16 N 0.47 3.22 -0.09 1.40 1.02 -1.26 -0.03 119.74 124.46 1u90 s LYS 16 Ca -0.15 -0.83 -0.00 0.00 0.02 0.00 0.00 55.97 55.00 1u90 s LYS 16 Cb -0.17 -3.82 -0.03 0.00 -0.52 0.00 0.00 37.83 33.29 1u90 s LYS 16 CO 0.06 -0.57 -0.07 0.08 -0.92 0.00 0.00 175.35 173.92 1u90 s VAL 17 N 1.67 3.65 -0.13 3.17 1.01 0.97 -1.00 120.40 129.75 1u90 s VAL 17 Ca 0.05 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1u90 s VAL 17 Cb -0.18 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 1u90 s VAL 17 CO 0.09 0.57 -0.18 -0.63 0.00 0.00 0.00 175.10 174.95 1u90 s ILE 18 N -0.42 2.51 -0.17 2.22 -1.09 -0.54 -0.79 121.20 122.91 1u90 s ILE 18 Ca 0.06 -0.84 -0.18 0.00 -2.23 0.00 0.00 60.65 57.46 1u90 s ILE 18 Cb -0.12 -2.02 -0.04 0.00 -1.58 0.00 0.00 42.46 38.70 1u90 s ILE 18 CO 0.02 0.53 0.47 -0.04 -1.23 0.00 0.00 174.94 174.70 1u90 s MET 19 N 0.56 4.24 0.10 2.79 -1.94 -0.55 -1.57 119.30 122.92 1u90 s MET 19 Ca -0.11 0.37 0.03 0.00 -1.71 0.00 0.00 55.69 54.27 1u90 s MET 19 Cb -0.16 -3.51 -0.04 0.00 2.01 0.00 0.00 34.83 33.13 1u90 s MET 19 CO 0.04 -0.02 -0.09 0.14 -0.01 0.00 0.00 175.02 175.08 1u90 s VAL 20 N 1.21 0.84 0.00 -6.03 -7.23 -0.68 -3.54 120.40 104.97 1u90 s VAL 20 Ca 0.23 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1u90 s VAL 20 Cb -0.15 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.36 1u90 s VAL 20 CO 0.09 -0.66 0.00 0.61 -0.31 0.00 0.00 175.10 174.84 1u90 n GLY 21 N 0.39 3.16 3.68 2.32 0.00 -1.26 -0.99 105.19 112.48 1u90 n GLY 21 Ca -0.15 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1u90 n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u90 s SER 22 N 0.00 1.33 0.32 1.61 1.04 -1.26 -4.91 113.70 111.83 1u90 s SER 22 Ca 0.00 0.48 -0.29 0.00 0.48 0.00 0.00 55.95 56.62 1u90 s SER 22 Cb 0.00 -0.63 -0.10 0.00 0.10 0.00 0.00 66.02 65.39 1u90 s SER 22 CO 0.00 -3.86 1.30 -0.83 0.98 0.00 0.00 173.24 170.84 1u90 s GLY 23 N -4.20 2.97 -1.10 7.32 0.00 -1.26 -3.69 107.32 107.36 1u90 s GLY 23 Ca 0.72 1.25 0.00 0.00 0.00 0.00 0.00 44.72 46.69 1u90 s GLY 23 CO 0.55 1.91 0.00 0.61 0.00 0.00 0.00 173.10 176.17 1u90 n GLY 24 N 0.89 1.17 0.13 0.20 0.00 -1.26 -4.90 105.19 101.42 1u90 n GLY 24 Ca 0.00 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.64 1u90 n GLY 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1u90 h VAL 25 N 0.00 0.00 0.00 1.61 -1.51 -1.93 -3.48 116.25 110.94 1u90 h VAL 25 Ca -0.21 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 1u90 h VAL 25 Cb 0.70 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1u90 h VAL 25 CO 0.31 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.26 1u90 n GLY 26 N 1.20 1.88 0.12 5.19 0.00 -1.26 -4.56 105.19 107.76 1u90 n GLY 26 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1u90 n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u90 h LYS 27 N 0.00 0.32 -0.27 1.61 1.57 -1.92 -0.60 116.57 117.27 1u90 h LYS 27 Ca 0.00 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1u90 h LYS 27 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1u90 h LYS 27 CO 0.00 0.35 -0.41 0.77 -0.57 0.00 0.00 179.45 179.60 1u90 h SER 28 N 0.21 0.83 -0.96 0.86 0.02 -1.96 -2.44 113.55 110.10 1u90 h SER 28 Ca 0.07 -0.51 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1u90 h SER 28 Cb 0.15 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 1u90 h SER 28 CO -0.01 1.18 0.59 0.00 -1.14 0.00 0.00 176.83 177.46 1u90 h ALA 29 N 0.67 1.23 -0.35 3.77 0.00 -1.83 0.12 119.26 122.88 1u90 h ALA 29 Ca 0.03 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1u90 h ALA 29 Cb 1.00 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1u90 h ALA 29 CO 0.09 0.67 -0.21 -0.07 0.00 0.00 0.00 179.25 179.73 1u90 h LEU 30 N 1.32 0.78 -0.34 0.00 3.38 -1.09 -1.69 115.31 117.68 1u90 h LEU 30 Ca 0.35 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1u90 h LEU 30 Cb -0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1u90 h LEU 30 CO -0.07 1.04 0.22 0.74 0.09 0.00 0.00 178.44 180.46 1u90 h THR 31 N 0.53 1.10 -0.10 0.22 2.02 -0.96 -2.02 112.91 113.70 1u90 h THR 31 Ca 0.07 -0.19 -0.15 0.00 0.77 0.00 0.00 66.41 66.91 1u90 h THR 31 Cb 0.76 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1u90 h THR 31 CO 0.06 0.09 -0.59 -0.07 0.37 0.00 0.00 175.52 175.39 1u90 h LEU 32 N 0.45 0.36 -0.20 2.58 3.38 -0.97 -0.24 115.31 120.67 1u90 h LEU 32 Ca 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1u90 h LEU 32 Cb -0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1u90 h LEU 32 CO -0.03 0.86 0.05 1.56 0.09 0.00 0.00 178.44 180.97 1u90 h GLN 33 N 0.24 0.32 -0.52 1.13 1.08 -1.19 0.82 115.11 116.99 1u90 h GLN 33 Ca -0.00 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.07 1u90 h GLN 33 Cb 1.10 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.46 1u90 h GLN 33 CO 0.10 0.45 0.14 0.35 -0.95 0.00 0.00 178.83 178.92 1u90 h PHE 34 N 0.14 0.86 0.30 2.96 3.57 -1.30 0.78 116.94 124.25 1u90 h PHE 34 Ca 0.06 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1u90 h PHE 34 Cb 0.28 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1u90 h PHE 34 CO 0.01 0.75 -0.14 0.52 -2.23 0.00 0.00 178.31 177.22 1u90 h MET 35 N 0.73 -0.38 -0.29 1.11 2.86 -0.90 -3.38 114.93 114.66 1u90 h MET 35 Ca 0.17 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1u90 h MET 35 Cb 0.31 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1u90 h MET 35 CO -0.00 -0.05 0.00 0.66 1.06 0.00 0.00 176.91 178.57 1u90 n TYR 36 N -5.06 0.39 -3.75 -0.22 0.53 0.27 -5.00 117.16 104.32 1u90 n TYR 36 Ca -0.08 -0.41 -0.27 0.00 -1.02 0.00 0.00 57.90 56.12 1u90 n TYR 36 Cb 0.26 -0.02 0.05 0.00 -1.03 0.00 0.00 39.34 38.60 1u90 n TYR 36 CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 1u90 n ASP 37 N 0.55 -5.34 -3.82 7.72 2.03 0.27 -4.98 116.55 112.98 1u90 n ASP 37 Ca 0.11 -0.66 -0.12 0.00 0.52 0.00 0.00 54.79 54.63 1u90 n ASP 37 Cb 0.40 -4.47 -0.11 0.00 -0.72 0.00 0.00 41.12 36.22 1u90 n ASP 37 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1u90 s GLU 38 N -6.42 0.33 -0.41 -0.67 -1.05 -1.25 -5.00 118.70 104.23 1u90 s GLU 38 Ca 0.58 0.07 -0.23 0.00 -0.15 0.00 0.00 54.97 55.24 1u90 s GLU 38 Cb -0.28 0.15 0.02 0.00 -0.44 0.00 0.00 34.13 33.58 1u90 s GLU 38 CO 0.78 -0.06 0.80 0.12 0.95 0.00 0.00 175.26 177.84 1u90 s PHE 39 N -0.38 3.04 -0.39 4.83 5.36 -1.26 -3.40 117.98 125.77 1u90 s PHE 39 Ca -0.05 0.35 -0.13 0.00 -0.96 0.00 0.00 56.93 56.14 1u90 s PHE 39 Cb -0.03 -3.58 0.02 0.00 -0.34 0.00 0.00 43.02 39.08 1u90 s PHE 39 CO 0.01 -0.89 0.26 0.08 -1.46 0.00 0.00 175.22 173.22 1u90 s VAL 40 N 3.25 5.00 0.40 3.12 1.01 -1.26 -5.07 120.40 126.85 1u90 s VAL 40 Ca 0.31 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 1u90 s VAL 40 Cb -0.12 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 1u90 s VAL 40 CO 0.21 -0.24 0.88 -1.61 0.00 0.00 0.00 175.10 174.34 1u90 s GLU 41 N 1.64 4.13 -1.44 2.72 2.02 -1.26 -4.21 118.70 122.30 1u90 s GLU 41 Ca 0.04 0.96 -0.00 0.00 0.02 0.00 0.00 54.97 55.98 1u90 s GLU 41 Cb -0.19 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1u90 s GLU 41 CO 0.09 0.01 0.30 -0.25 0.02 0.00 0.00 175.26 175.43 1u90 n ASP 42 N -0.65 -0.00 -4.73 -0.19 8.00 -1.26 -4.90 116.55 112.82 1u90 n ASP 42 Ca 0.06 -1.08 -0.42 0.00 0.71 0.00 0.00 54.79 54.06 1u90 n ASP 42 Cb 0.54 -2.65 -0.03 0.00 -0.02 0.00 0.00 41.12 38.96 1u90 n ASP 42 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1u90 s TYR 43 N -4.07 3.40 -0.70 1.24 5.04 -1.26 -4.83 117.35 116.16 1u90 s TYR 43 Ca 0.01 1.31 -0.38 0.00 -2.44 0.00 0.00 57.07 55.57 1u90 s TYR 43 Cb -0.00 -3.47 -0.20 0.00 0.35 0.00 0.00 41.96 38.64 1u90 s TYR 43 CO 0.92 -1.42 2.38 -1.91 -1.34 0.00 0.00 175.55 174.18 1u90 n GLU 44 N 3.11 0.08 0.09 4.97 4.07 -1.26 -4.80 120.64 126.90 1u90 n GLU 44 Ca 0.07 0.01 0.20 0.00 -0.06 0.00 0.00 57.16 57.38 1u90 n GLU 44 Cb 0.45 -1.59 0.75 0.00 -0.06 0.00 0.00 31.44 30.98 1u90 n GLU 44 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1u90 h PRO 45 N 10.68 0.00 -0.25 5.31 0.11 -2.03 -2.58 132.00 143.24 1u90 h PRO 45 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1u90 h PRO 45 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1u90 h PRO 45 CO 1.21 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 179.25 1u90 n THR 46 N -3.79 0.32 -3.43 -1.15 -2.24 -1.26 -4.69 114.28 98.03 1u90 n THR 46 Ca 0.07 -0.53 -0.38 0.00 -2.27 0.00 0.00 64.05 60.95 1u90 n THR 46 Cb 0.59 0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 69.46 1u90 n THR 46 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1u90 s LYS 47 N -1.68 4.18 -0.10 -0.78 2.20 -0.97 -4.81 119.74 117.78 1u90 s LYS 47 Ca 0.35 0.15 -0.00 0.00 -0.36 0.00 0.00 55.97 56.10 1u90 s LYS 47 Cb 0.20 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1u90 s LYS 47 CO 0.29 0.02 -0.08 0.00 -0.36 0.00 0.00 175.35 175.22 1u90 s ALA 48 N 1.13 2.89 0.20 3.13 0.00 -1.26 -4.63 121.76 123.22 1u90 s ALA 48 Ca 0.18 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 1u90 s ALA 48 Cb -0.14 -1.27 0.05 0.00 0.00 0.00 0.00 23.12 21.76 1u90 s ALA 48 CO 0.07 0.43 0.67 0.34 0.00 0.00 0.00 175.76 177.27 1u90 s ASP 49 N -0.34 -0.42 0.09 0.00 -1.08 -0.83 -5.01 116.67 109.08 1u90 s ASP 49 Ca 0.04 -0.26 0.07 0.00 -0.52 0.00 0.00 52.55 51.89 1u90 s ASP 49 Cb -0.12 0.64 -0.04 0.00 -1.46 0.00 0.00 42.92 41.94 1u90 s ASP 49 CO 0.02 -1.11 -0.14 -0.94 0.52 0.00 0.00 175.17 173.52 1u90 s SER 50 N -2.82 4.16 0.03 -0.34 1.04 -1.26 -0.80 113.70 113.71 1u90 s SER 50 Ca 0.06 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.08 1u90 s SER 50 Cb -0.03 -0.73 -0.02 0.00 0.10 0.00 0.00 66.02 65.34 1u90 s SER 50 CO -0.04 0.20 -0.07 -0.31 0.98 0.00 0.00 173.24 173.99 1u90 s TYR 51 N -1.13 0.64 -0.06 5.02 1.51 0.16 -4.97 117.35 118.53 1u90 s TYR 51 Ca 0.19 -0.40 -0.12 0.00 -1.01 0.00 0.00 57.07 55.73 1u90 s TYR 51 Cb -0.11 -0.39 0.02 0.00 -0.11 0.00 0.00 41.96 41.38 1u90 s TYR 51 CO 0.11 -0.06 0.29 0.50 -1.11 0.00 0.00 175.55 175.28 1u90 s ARG 52 N -1.23 0.50 0.02 -0.62 3.52 -1.26 0.03 118.95 119.91 1u90 s ARG 52 Ca -0.07 0.09 -0.29 0.00 -0.13 0.00 0.00 55.73 55.33 1u90 s ARG 52 Cb -0.08 0.23 0.10 0.00 -1.56 0.00 0.00 34.95 33.64 1u90 s ARG 52 CO 0.00 -0.11 1.03 -1.59 -0.81 0.00 0.00 175.30 173.83 1u90 s LYS 53 N -0.62 0.80 0.08 5.12 -2.85 -1.05 -5.00 119.74 116.23 1u90 s LYS 53 Ca -0.07 -0.38 -0.21 0.00 -1.00 0.00 0.00 55.97 54.30 1u90 s LYS 53 Cb -0.04 0.31 -0.07 0.00 -2.06 0.00 0.00 37.83 35.97 1u90 s LYS 53 CO 0.02 -0.36 0.63 0.21 0.10 0.00 0.00 175.35 175.96 1u90 s LYS 54 N -2.95 4.32 0.11 1.78 2.20 -1.26 -1.61 119.74 122.33 1u90 s LYS 54 Ca 0.10 0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 56.56 1u90 s LYS 54 Cb -0.00 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1u90 s LYS 54 CO -0.04 0.57 0.02 0.14 -0.36 0.00 0.00 175.35 175.69 1u90 s VAL 55 N -0.95 0.19 -0.27 4.02 -7.23 0.96 -4.97 120.40 112.16 1u90 s VAL 55 Ca 0.31 -1.89 -0.07 0.00 -1.81 0.00 0.00 61.98 58.53 1u90 s VAL 55 Cb -0.20 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 1u90 s VAL 55 CO 0.21 -0.64 0.06 -0.69 -0.31 0.00 0.00 175.10 173.72 1u90 s VAL 56 N -3.97 4.02 -0.27 1.32 1.01 -1.26 -0.90 120.40 120.34 1u90 s VAL 56 Ca 0.19 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1u90 s VAL 56 Cb 0.07 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.53 1u90 s VAL 56 CO -0.02 0.24 -0.01 -0.22 0.00 0.00 0.00 175.10 175.08 1u90 s LEU 57 N 1.54 3.53 -1.36 3.92 2.96 0.94 -4.71 118.68 125.50 1u90 s LEU 57 Ca 0.05 -0.96 -0.07 0.00 -0.22 0.00 0.00 54.13 52.93 1u90 s LEU 57 Cb -0.16 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.81 1u90 s LEU 57 CO 0.02 -0.18 0.46 0.47 -1.32 0.00 0.00 176.35 175.80 1u90 n ASP 58 N 4.70 -1.43 0.00 3.68 8.00 -1.26 -0.95 116.55 129.29 1u90 n ASP 58 Ca -0.15 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1u90 n ASP 58 Cb 0.46 -2.81 0.00 0.00 -0.02 0.00 0.00 41.12 38.76 1u90 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u90 n GLY 59 N -2.02 3.00 3.84 0.44 0.00 -1.26 -5.01 105.19 104.19 1u90 n GLY 59 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1u90 n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u90 s GLU 60 N -0.13 3.57 -0.23 1.61 2.12 -0.12 -5.06 118.70 120.44 1u90 s GLU 60 Ca 0.00 -0.16 -0.25 0.00 0.36 0.00 0.00 54.97 54.92 1u90 s GLU 60 Cb 0.00 -3.22 -0.00 0.00 0.26 0.00 0.00 34.13 31.17 1u90 s GLU 60 CO 0.00 0.68 0.87 -1.21 -0.54 0.00 0.00 175.26 175.06 1u90 s GLU 61 N -0.75 4.21 0.18 4.30 2.02 -1.26 -0.04 118.70 127.36 1u90 s GLU 61 Ca 0.13 1.03 0.01 0.00 0.02 0.00 0.00 54.97 56.16 1u90 s GLU 61 Cb -0.12 -3.64 -0.05 0.00 0.10 0.00 0.00 34.13 30.43 1u90 s GLU 61 CO 0.03 -0.52 0.04 0.14 0.02 0.00 0.00 175.26 174.97 1u90 s VAL 62 N 2.83 0.52 -0.08 2.63 -7.23 -0.08 -4.53 120.40 114.46 1u90 s VAL 62 Ca 0.37 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1u90 s VAL 62 Cb -0.15 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 1u90 s VAL 62 CO 0.08 -0.36 -0.12 -1.10 -0.31 0.00 0.00 175.10 173.28 1u90 s GLN 63 N -3.97 2.87 -0.06 4.82 -0.21 -0.45 -0.03 119.66 122.63 1u90 s GLN 63 Ca 0.27 -0.66 0.04 0.00 0.02 0.00 0.00 55.36 55.03 1u90 s GLN 63 Cb 0.07 -2.51 -0.02 0.00 1.00 0.00 0.00 33.01 31.55 1u90 s GLN 63 CO 0.06 0.48 -0.17 -1.50 -2.12 0.00 0.00 175.29 172.04 1u90 s ILE 64 N -0.35 2.74 -0.17 1.08 2.07 -0.64 -1.45 121.20 124.49 1u90 s ILE 64 Ca 0.04 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.46 1u90 s ILE 64 Cb -0.12 -2.07 0.00 0.00 0.13 0.00 0.00 42.46 40.40 1u90 s ILE 64 CO 0.02 0.57 -0.15 -0.62 -1.91 0.00 0.00 174.94 172.85 1u90 s ASP 65 N -0.37 3.55 -0.16 4.50 2.15 0.96 -2.52 116.67 124.78 1u90 s ASP 65 Ca 0.03 -0.52 -0.00 0.00 0.43 0.00 0.00 52.55 52.49 1u90 s ASP 65 Cb -0.12 -1.56 -0.00 0.00 -0.30 0.00 0.00 42.92 40.94 1u90 s ASP 65 CO 0.02 0.04 -0.14 -0.63 -0.17 0.00 0.00 175.17 174.29 1u90 s ILE 66 N 1.06 2.73 -0.35 4.11 1.01 0.10 -0.02 121.20 129.85 1u90 s ILE 66 Ca -0.01 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 1u90 s ILE 66 Cb -0.14 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1u90 s ILE 66 CO -0.05 0.51 0.20 -0.22 0.00 0.00 0.00 174.94 175.38 1u90 s LEU 67 N 0.86 4.52 -0.47 2.97 2.96 0.03 -0.66 118.68 128.88 1u90 s LEU 67 Ca -0.04 -0.79 -0.20 0.00 -0.22 0.00 0.00 54.13 52.88 1u90 s LEU 67 Cb -0.15 -2.03 0.04 0.00 0.50 0.00 0.00 46.19 44.55 1u90 s LEU 67 CO -0.01 -0.31 0.62 -0.62 -1.32 0.00 0.00 176.35 174.71 1u90 s ASP 68 N 1.59 6.27 0.60 3.68 2.15 0.02 -1.49 116.67 129.49 1u90 s ASP 68 Ca 0.03 -0.61 -0.04 0.00 0.43 0.00 0.00 52.55 52.36 1u90 s ASP 68 Cb -0.18 -2.30 0.03 0.00 -0.30 0.00 0.00 42.92 40.16 1u90 s ASP 68 CO 0.07 -0.82 0.89 0.42 -0.17 0.00 0.00 175.17 175.56 1u90 s THR 69 N 2.70 3.11 -0.07 1.71 -4.23 -1.23 -1.97 115.64 115.67 1u90 s THR 69 Ca 0.19 -0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.33 1u90 s THR 69 Cb -0.16 -3.24 0.03 0.00 1.34 0.00 0.00 72.50 70.46 1u90 s THR 69 CO 0.15 -0.23 0.30 0.00 -0.54 0.00 0.00 174.62 174.30 1u90 s ALA 70 N -2.98 -0.74 0.40 3.99 0.00 -1.26 -4.86 121.76 116.31 1u90 s ALA 70 Ca 0.56 0.58 0.10 0.00 0.00 0.00 0.00 51.96 53.20 1u90 s ALA 70 Cb -0.10 -0.23 0.90 0.00 0.00 0.00 0.00 23.12 23.68 1u90 s ALA 70 CO 0.43 -0.20 1.98 0.78 0.00 0.00 0.00 175.76 178.76 1u90 h GLY 71 N 4.84 0.71 -0.37 0.00 0.00 -1.91 -2.97 103.07 103.38 1u90 h GLY 71 Ca -0.28 -0.22 0.22 0.00 0.00 0.00 0.00 47.33 47.05 1u90 h GLY 71 CO 0.35 0.16 0.24 -1.61 0.00 0.00 0.00 176.54 175.68 1u90 h GLN 72 N 0.55 0.23 -5.76 4.80 4.15 -1.88 -3.17 115.11 114.03 1u90 h GLN 72 Ca 0.27 -0.01 -0.54 0.00 0.77 0.00 0.00 58.65 59.14 1u90 h GLN 72 Cb 0.35 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.92 1u90 h GLN 72 CO -0.08 0.15 1.68 -2.00 -1.93 0.00 0.00 178.83 176.65 1u90 s GLU 73 N -5.95 3.39 -0.08 1.69 2.12 -1.13 -4.69 118.70 114.05 1u90 s GLU 73 Ca -0.12 -1.54 0.17 0.00 0.36 0.00 0.00 54.97 53.84 1u90 s GLU 73 Cb 0.25 -5.40 0.57 0.00 0.26 0.00 0.00 34.13 29.82 1u90 s GLU 73 CO 0.77 -2.86 1.49 -0.40 -0.54 0.00 0.00 175.26 173.71 1u90 n ASP 74 N 10.68 4.03 -4.63 -1.70 5.75 -1.20 -4.78 116.55 124.69 1u90 n ASP 74 Ca 0.45 -2.34 -0.43 0.00 -0.01 0.00 0.00 54.79 52.46 1u90 n ASP 74 Cb 0.47 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 1u90 n ASP 74 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1u90 s TYR 75 N -1.64 2.44 0.21 2.11 1.51 -1.26 -4.91 117.35 115.80 1u90 s TYR 75 Ca 0.42 0.73 -0.15 0.00 -1.01 0.00 0.00 57.07 57.06 1u90 s TYR 75 Cb 0.26 -3.93 0.22 0.00 -0.11 0.00 0.00 41.96 38.41 1u90 s TYR 75 CO 0.21 -2.25 1.62 0.00 -1.11 0.00 0.00 175.55 174.02 1u90 h ALA 76 N 9.87 0.35 -0.86 3.71 0.00 -1.99 -1.75 119.26 128.60 1u90 h ALA 76 Ca -0.29 0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1u90 h ALA 76 Cb 1.12 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 1u90 h ALA 76 CO 1.02 -0.46 0.53 0.00 0.00 0.00 0.00 179.25 180.33 1u90 h ALA 77 N 1.54 1.18 -0.19 0.00 0.00 -1.99 -0.58 119.26 119.22 1u90 h ALA 77 Ca 0.30 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1u90 h ALA 77 Cb 0.48 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1u90 h ALA 77 CO -0.66 0.25 -0.28 0.82 0.00 0.00 0.00 179.25 179.38 1u90 h ILE 78 N 0.94 1.34 -0.13 0.00 2.04 -1.81 -2.78 117.51 117.11 1u90 h ILE 78 Ca 0.38 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 1u90 h ILE 78 Cb 0.20 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1u90 h ILE 78 CO -0.19 0.46 0.06 -0.09 0.00 0.00 0.00 178.15 178.39 1u90 h ARG 79 N 0.19 0.18 -0.22 2.37 2.43 -1.03 -2.35 114.38 115.96 1u90 h ARG 79 Ca 0.02 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1u90 h ARG 79 Cb 0.86 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1u90 h ARG 79 CO 0.07 0.24 0.06 -0.44 -1.51 0.00 0.00 179.97 178.39 1u90 h ASP 80 N 0.08 0.28 -0.34 -3.80 5.19 -1.18 -1.90 116.42 114.75 1u90 h ASP 80 Ca 0.04 -0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.33 1u90 h ASP 80 Cb 0.11 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1u90 h ASP 80 CO -0.01 0.28 -0.18 0.78 -3.12 0.00 0.00 179.24 177.00 1u90 h ASN 81 N 0.31 0.75 -0.62 6.45 2.35 -1.24 -1.03 115.58 122.55 1u90 h ASN 81 Ca 0.08 -0.41 -0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1u90 h ASN 81 Cb 0.11 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 1u90 h ASN 81 CO -0.01 1.00 0.37 1.88 -1.65 0.00 0.00 177.43 179.02 1u90 h TYR 82 N 0.50 0.81 -0.53 1.19 0.05 -0.94 -2.09 116.97 115.98 1u90 h TYR 82 Ca 0.07 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.74 1u90 h TYR 82 Cb 0.72 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 1u90 h TYR 82 CO 0.06 0.56 -0.10 0.74 -1.05 0.00 0.00 178.16 178.36 1u90 h PHE 83 N 0.84 1.09 0.00 4.88 0.05 -1.25 -2.72 116.94 119.83 1u90 h PHE 83 Ca 0.22 -0.22 -0.06 0.00 3.82 0.00 0.00 57.97 61.73 1u90 h PHE 83 Cb -0.02 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 37.65 1u90 h PHE 83 CO -0.02 1.02 -0.30 -0.09 -0.18 0.00 0.00 178.31 178.74 1u90 h ARG 84 N 0.88 0.00 0.00 1.51 2.43 -0.97 -2.67 114.38 115.56 1u90 h ARG 84 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1u90 h ARG 84 Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1u90 h ARG 84 CO 0.05 0.30 -0.17 0.66 -1.51 0.00 0.00 179.97 179.30 1u90 h SER 85 N 0.00 0.00 -3.94 -3.80 4.64 -1.17 -3.46 113.55 105.82 1u90 h SER 85 Ca -0.00 -0.02 -0.47 0.00 -0.47 0.00 0.00 61.79 60.82 1u90 h SER 85 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1u90 h SER 85 CO 0.04 0.01 0.38 -0.83 -0.87 0.00 0.00 176.83 175.56 1u90 s GLY 86 N -3.94 2.72 -0.13 -0.77 0.00 -1.01 -4.89 107.32 99.30 1u90 s GLY 86 Ca 0.07 0.61 0.18 0.00 0.00 0.00 0.00 44.72 45.59 1u90 s GLY 86 CO 0.66 1.03 0.21 1.18 0.00 0.00 0.00 173.10 176.18 1u90 n GLU 87 N 0.11 0.78 -3.85 2.90 1.02 -0.17 -5.01 120.64 116.42 1u90 n GLU 87 Ca 0.04 -0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 57.00 1u90 n GLU 87 Cb 0.50 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.35 1u90 n GLU 87 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1u90 s GLY 88 N -5.00 0.04 -0.02 0.62 0.00 -0.98 -4.07 107.32 97.92 1u90 s GLY 88 Ca -0.09 -0.35 0.03 0.00 0.00 0.00 0.00 44.72 44.31 1u90 s GLY 88 CO 0.81 -0.53 -0.11 -1.36 0.00 0.00 0.00 173.10 171.91 1u90 s PHE 89 N -2.85 1.07 -0.36 1.90 0.40 -0.27 -1.47 117.98 116.39 1u90 s PHE 89 Ca -0.03 -0.24 -0.09 0.00 -0.60 0.00 0.00 56.93 55.97 1u90 s PHE 89 Cb 0.00 -0.72 0.03 0.00 0.51 0.00 0.00 43.02 42.84 1u90 s PHE 89 CO -0.05 -0.07 0.17 -0.51 0.70 0.00 0.00 175.22 175.45 1u90 s LEU 90 N -0.03 4.57 -0.53 -0.37 1.43 -0.61 -1.57 118.68 121.57 1u90 s LEU 90 Ca 0.00 -1.08 -0.18 0.00 -1.03 0.00 0.00 54.13 51.84 1u90 s LEU 90 Cb -0.07 -1.96 0.08 0.00 0.03 0.00 0.00 46.19 44.27 1u90 s LEU 90 CO 0.00 -0.37 0.62 0.00 0.23 0.00 0.00 176.35 176.83 1u90 s VAL 92 N 2.49 5.33 0.17 0.00 1.01 -0.16 -0.67 120.40 128.56 1u90 s VAL 92 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1u90 s VAL 92 Cb -0.22 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1u90 s VAL 92 CO 0.09 0.50 0.10 0.72 0.00 0.00 0.00 175.10 176.51 1u90 s PHE 93 N -1.12 1.03 -0.19 5.22 -0.71 -0.46 -4.22 117.98 117.53 1u90 s PHE 93 Ca 0.19 -1.32 -0.07 0.00 -1.04 0.00 0.00 56.93 54.70 1u90 s PHE 93 Cb -0.12 -0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 41.13 1u90 s PHE 93 CO 0.09 -0.59 0.05 0.45 -1.34 0.00 0.00 175.22 173.89 1u90 s SER 94 N -3.11 5.43 0.00 1.98 0.15 -1.26 -0.53 113.70 116.35 1u90 s SER 94 Ca 0.32 -0.00 0.07 0.00 0.70 0.00 0.00 55.95 57.05 1u90 s SER 94 Cb 0.07 -1.93 0.32 0.00 -1.71 0.00 0.00 66.02 62.77 1u90 s SER 94 CO 0.07 0.13 1.22 2.30 1.20 0.00 0.00 173.24 178.17 1u90 n ILE 95 N 3.80 1.43 1.15 6.45 -5.35 -0.84 -1.40 119.36 124.61 1u90 n ILE 95 Ca -0.17 0.36 0.12 0.00 -0.27 0.00 0.00 62.75 62.80 1u90 n ILE 95 Cb 0.52 -1.23 0.22 0.00 -1.74 0.00 0.00 39.64 37.41 1u90 n ILE 95 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1u90 n THR 96 N -1.48 0.00 -3.71 7.28 -2.24 -1.26 0.65 114.28 113.52 1u90 n THR 96 Ca 0.02 -0.35 -0.29 0.00 -2.27 0.00 0.00 64.05 61.15 1u90 n THR 96 Cb 0.08 1.09 -0.15 0.00 -2.10 0.00 0.00 70.33 69.25 1u90 n THR 96 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1u90 s GLU 97 N -2.14 0.65 0.27 -0.78 2.12 -0.49 -4.60 118.70 113.73 1u90 s GLU 97 Ca 0.28 -0.91 -0.01 0.00 0.36 0.00 0.00 54.97 54.69 1u90 s GLU 97 Cb 0.20 -1.90 0.54 0.00 0.26 0.00 0.00 34.13 33.22 1u90 s GLU 97 CO 0.38 -0.94 1.77 1.98 -0.54 0.00 0.00 175.26 177.91 1u90 h MET 98 N 8.15 0.65 -0.29 4.30 1.85 -1.86 -1.23 114.93 126.50 1u90 h MET 98 Ca -0.15 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 58.89 1u90 h MET 98 Cb 1.03 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.90 1u90 h MET 98 CO 0.45 0.43 0.15 0.93 -0.40 0.00 0.00 176.91 178.47 1u90 h GLU 99 N 0.67 0.40 -0.07 0.39 3.07 -1.94 -1.07 114.58 116.02 1u90 h GLU 99 Ca 0.47 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 59.18 1u90 h GLU 99 Cb 0.63 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1u90 h GLU 99 CO -0.35 0.31 -0.44 0.66 -1.40 0.00 0.00 179.01 177.79 1u90 h SER 100 N 0.41 0.17 -0.01 1.42 4.64 -1.54 -0.09 113.55 118.55 1u90 h SER 100 Ca 0.11 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1u90 h SER 100 Cb 0.04 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1u90 h SER 100 CO -0.02 0.60 -0.01 0.15 -0.87 0.00 0.00 176.83 176.68 1u90 h PHE 101 N 0.14 0.04 -0.89 4.77 3.57 -1.12 -2.98 116.94 120.46 1u90 h PHE 101 Ca 0.01 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1u90 h PHE 101 Cb 0.84 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.50 1u90 h PHE 101 CO 0.01 0.46 0.53 0.00 -2.23 0.00 0.00 178.31 177.08 1u90 h ALA 102 N 0.57 1.29 0.00 2.41 0.00 -1.02 -1.62 119.26 120.89 1u90 h ALA 102 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1u90 h ALA 102 Cb 0.45 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1u90 h ALA 102 CO 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 179.25 179.41 1u90 h ALA 103 N 1.48 1.36 -0.49 0.00 0.00 -0.87 -2.75 119.26 117.99 1u90 h ALA 103 Ca 0.43 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.48 1u90 h ALA 103 Cb 0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1u90 h ALA 103 CO -0.25 0.01 0.38 1.79 0.00 0.00 0.00 179.25 181.17 1u90 h THR 104 N 0.00 0.67 -0.59 0.00 1.35 -1.16 0.71 112.91 113.90 1u90 h THR 104 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 1u90 h THR 104 Cb 0.02 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 67.14 1u90 h THR 104 CO 0.00 0.00 0.18 0.00 -0.25 0.00 0.00 175.52 175.45 1u90 h ALA 105 N 1.71 1.21 -0.21 6.62 0.00 -1.68 -1.13 119.26 125.78 1u90 h ALA 105 Ca 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1u90 h ALA 105 Cb 0.98 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1u90 h ALA 105 CO -0.00 0.56 0.11 -0.44 0.00 0.00 0.00 179.25 179.48 1u90 h ASP 106 N 0.87 0.26 -0.55 0.00 3.45 -1.06 -1.12 116.42 118.27 1u90 h ASP 106 Ca 0.20 -0.09 -0.10 0.00 0.43 0.00 0.00 57.03 57.47 1u90 h ASP 106 Cb 0.26 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 1u90 h ASP 106 CO -0.01 0.28 -0.02 -0.26 -1.57 0.00 0.00 179.24 177.65 1u90 h PHE 107 N 0.23 1.11 -0.43 4.55 -1.00 -1.42 -2.09 116.94 117.88 1u90 h PHE 107 Ca 0.07 -0.19 0.04 0.00 2.81 0.00 0.00 57.97 60.69 1u90 h PHE 107 Cb 0.07 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.31 1u90 h PHE 107 CO -0.04 0.99 0.21 -0.09 -1.61 0.00 0.00 178.31 177.77 1u90 h ARG 108 N 0.92 0.41 -0.55 1.51 9.65 -1.03 -0.79 114.38 124.50 1u90 h ARG 108 Ca 0.16 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 1u90 h ARG 108 Cb 0.57 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.03 1u90 h ARG 108 CO 0.03 0.27 0.35 1.49 2.80 0.00 0.00 179.97 184.91 1u90 h GLU 109 N 0.42 0.73 -0.62 0.20 4.22 -0.92 -1.06 114.58 117.55 1u90 h GLU 109 Ca 0.18 -0.05 -0.07 0.00 0.08 0.00 0.00 59.36 59.50 1u90 h GLU 109 Cb 0.10 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1u90 h GLU 109 CO -0.13 0.50 0.11 1.96 -2.18 0.00 0.00 179.01 179.27 1u90 h GLN 110 N 0.74 1.00 -0.36 1.92 4.20 -0.97 -0.52 115.11 121.13 1u90 h GLN 110 Ca 0.20 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1u90 h GLN 110 Cb -0.06 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1u90 h GLN 110 CO -0.04 0.92 -0.09 0.82 -0.67 0.00 0.00 178.83 179.77 1u90 h ILE 111 N 0.95 1.28 -0.20 2.54 2.04 -0.86 -2.36 117.51 120.89 1u90 h ILE 111 Ca 0.19 -1.16 -0.09 0.00 1.00 0.00 0.00 64.86 64.80 1u90 h ILE 111 Cb 0.40 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1u90 h ILE 111 CO 0.01 0.38 -0.27 -0.07 0.00 0.00 0.00 178.15 178.20 1u90 h LEU 112 N 0.49 0.39 -0.27 1.44 3.38 -1.04 -0.54 115.31 119.16 1u90 h LEU 112 Ca 0.09 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1u90 h LEU 112 Cb 0.60 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1u90 h LEU 112 CO 0.04 0.66 0.11 -0.09 0.09 0.00 0.00 178.44 179.24 1u90 h ARG 113 N 0.34 0.41 -0.03 1.13 2.43 -0.92 -0.26 114.38 117.48 1u90 h ARG 113 Ca 0.05 -0.07 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 1u90 h ARG 113 Cb 0.66 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1u90 h ARG 113 CO 0.05 0.43 -0.91 0.28 -1.51 0.00 0.00 179.97 178.31 1u90 h VAL 114 N 0.30 1.30 0.00 0.20 2.07 -1.26 -3.35 116.25 115.50 1u90 h VAL 114 Ca 0.09 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1u90 h VAL 114 Cb 0.17 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1u90 h VAL 114 CO -0.01 0.66 -0.95 0.29 0.02 0.00 0.00 177.57 177.59 1u90 n LYS 115 N -3.94 0.12 -4.20 1.57 5.02 -0.23 -4.91 118.16 111.60 1u90 n LYS 115 Ca -0.10 -0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 55.86 1u90 n LYS 115 Cb 0.82 -1.53 -0.07 0.00 -0.02 0.00 0.00 35.03 34.23 1u90 n LYS 115 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1u90 n GLU 116 N -1.68 -1.40 -3.33 1.97 1.02 -0.11 -4.92 120.64 112.20 1u90 n GLU 116 Ca 0.03 0.16 -0.11 0.00 -0.02 0.00 0.00 57.16 57.23 1u90 n GLU 116 Cb 0.38 -3.70 -0.07 0.00 -0.02 0.00 0.00 31.44 28.03 1u90 n GLU 116 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1u90 s ASP 117 N -4.29 0.70 0.00 1.62 -1.08 -1.26 -5.00 116.67 107.37 1u90 s ASP 117 Ca 0.06 -0.46 0.12 0.00 -0.52 0.00 0.00 52.55 51.75 1u90 s ASP 117 Cb -0.03 0.96 0.74 0.00 -1.46 0.00 0.00 42.92 43.13 1u90 s ASP 117 CO 0.97 -0.36 1.25 -0.62 0.52 0.00 0.00 175.17 176.93 1u90 n GLU 118 N 5.34 0.68 -0.09 4.34 1.02 -1.26 -2.08 120.64 128.60 1u90 n GLU 118 Ca -0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1u90 n GLU 118 Cb 0.49 -1.28 0.09 0.00 -0.02 0.00 0.00 31.44 30.71 1u90 n GLU 118 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1u90 n ASN 119 N -0.78 2.38 -4.72 1.62 3.02 -1.26 -5.02 115.26 110.49 1u90 n ASN 119 Ca 0.09 -1.78 -0.43 0.00 -0.03 0.00 0.00 54.58 52.43 1u90 n ASN 119 Cb 0.04 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.08 1u90 n ASN 119 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1u90 n VAL 120 N 0.35 1.40 -1.70 2.41 3.14 -0.88 -4.81 118.33 118.24 1u90 n VAL 120 Ca 0.08 -0.35 -0.55 0.00 -2.96 0.00 0.00 64.34 60.55 1u90 n VAL 120 Cb 0.33 -1.72 -0.07 0.00 -1.06 0.00 0.00 33.84 31.32 1u90 n VAL 120 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1u90 n PRO 121 N 1.44 1.36 -3.69 1.45 -0.02 -1.26 -4.92 135.00 129.37 1u90 n PRO 121 Ca 0.07 0.50 -0.10 0.00 -2.02 0.00 0.00 63.50 61.95 1u90 n PRO 121 Cb 0.35 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 1u90 n PRO 121 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1u90 s PHE 122 N 3.46 -0.69 -0.04 6.00 5.99 -1.26 -1.12 117.98 130.33 1u90 s PHE 122 Ca 0.96 1.46 0.04 0.00 0.00 0.00 0.00 56.93 59.39 1u90 s PHE 122 Cb -0.99 0.33 -0.00 0.00 0.00 0.00 0.00 43.02 42.36 1u90 s PHE 122 CO 0.62 -0.37 -0.18 -0.51 -0.00 0.00 0.00 175.22 174.78 1u90 s LEU 123 N 1.32 1.93 -0.19 6.12 1.43 -0.61 -4.30 118.68 124.38 1u90 s LEU 123 Ca -0.09 -0.36 -0.20 0.00 -1.03 0.00 0.00 54.13 52.45 1u90 s LEU 123 Cb -0.07 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1u90 s LEU 123 CO -0.13 0.16 0.59 -0.22 0.23 0.00 0.00 176.35 176.98 1u90 s LEU 124 N 0.02 4.15 -0.21 1.79 2.96 -0.77 -1.14 118.68 125.47 1u90 s LEU 124 Ca -0.04 0.78 0.01 0.00 -0.22 0.00 0.00 54.13 54.67 1u90 s LEU 124 Cb -0.12 -2.82 0.03 0.00 0.50 0.00 0.00 46.19 43.78 1u90 s LEU 124 CO 0.02 -0.23 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.99 1u90 s VAL 125 N 1.75 2.24 -0.50 1.68 1.01 0.15 -1.90 120.40 124.82 1u90 s VAL 125 Ca 0.27 -1.16 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 1u90 s VAL 125 Cb -0.16 -2.09 0.07 0.00 0.00 0.00 0.00 36.38 34.20 1u90 s VAL 125 CO 0.10 0.32 0.56 -0.83 0.00 0.00 0.00 175.10 175.25 1u90 s GLY 126 N 1.24 1.86 0.46 4.51 0.00 -0.35 -1.35 107.32 113.68 1u90 s GLY 126 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.84 1u90 s GLY 126 CO -0.09 1.35 0.68 0.21 0.00 0.00 0.00 173.10 175.25 1u90 s ASN 127 N 2.72 5.81 -0.25 1.64 2.47 0.31 -0.87 114.94 126.77 1u90 s ASN 127 Ca 0.12 0.29 -0.01 0.00 0.42 0.00 0.00 52.86 53.68 1u90 s ASN 127 Cb -0.21 -1.52 0.00 0.00 -1.45 0.00 0.00 41.25 38.07 1u90 s ASN 127 CO 0.10 -0.73 0.11 0.29 -3.72 0.00 0.00 177.10 173.16 1u90 n LYS 128 N -2.10 -0.88 0.00 0.43 5.02 -0.08 -1.98 118.16 118.56 1u90 n LYS 128 Ca 0.02 0.15 0.02 0.00 -2.02 0.00 0.00 58.31 56.48 1u90 n LYS 128 Cb 0.58 -3.38 0.10 0.00 -0.02 0.00 0.00 35.03 32.31 1u90 n LYS 128 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1u90 n SER 129 N 1.00 0.00 0.09 4.39 3.41 -0.04 -1.18 113.62 121.30 1u90 n SER 129 Ca -0.02 0.42 0.13 0.00 -0.26 0.00 0.00 58.87 59.15 1u90 n SER 129 Cb 0.52 -0.44 0.43 0.00 -0.26 0.00 0.00 64.21 64.46 1u90 n SER 129 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1u90 n ASP 130 N -1.44 0.73 -2.60 4.04 5.75 -1.26 -3.50 116.55 118.26 1u90 n ASP 130 Ca 0.01 0.57 -0.37 0.00 -0.01 0.00 0.00 54.79 54.99 1u90 n ASP 130 Cb 0.05 -0.76 0.06 0.00 -1.03 0.00 0.00 41.12 39.43 1u90 n ASP 130 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1u90 n LEU 131 N -2.18 7.49 -0.34 -2.12 4.77 -0.33 -4.74 117.00 119.55 1u90 n LEU 131 Ca 0.06 -4.58 0.18 0.00 -0.03 0.00 0.00 56.01 51.64 1u90 n LEU 131 Cb 0.42 -0.99 0.41 0.00 -2.33 0.00 0.00 43.42 40.92 1u90 n LEU 131 CO 0.30 1.64 1.18 -0.08 -1.33 0.00 0.00 177.39 179.10 1u90 h GLU 132 N 2.49 0.54 0.00 3.23 4.57 -1.76 0.13 114.58 123.77 1u90 h GLU 132 Ca 0.58 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.73 1u90 h GLU 132 Cb 0.46 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1u90 h GLU 132 CO 1.49 0.36 0.00 -0.40 -1.18 0.00 0.00 179.01 179.27 1u90 n ASP 133 N -4.82 0.00 0.00 1.04 3.85 -1.26 -1.73 116.55 113.63 1u90 n ASP 133 Ca 0.26 -0.95 0.00 0.00 -0.71 0.00 0.00 54.79 53.40 1u90 n ASP 133 Cb 0.76 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.53 1u90 n ASP 133 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1u90 n LYS 134 N -0.65 0.79 -1.67 0.11 5.02 0.45 -5.07 118.16 117.14 1u90 n LYS 134 Ca 0.04 -0.73 -0.46 0.00 -2.02 0.00 0.00 58.31 55.14 1u90 n LYS 134 Cb 0.02 -0.73 -0.04 0.00 -0.02 0.00 0.00 35.03 34.26 1u90 n LYS 134 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1u90 n ARG 135 N -0.16 2.21 -0.00 1.97 0.63 -0.71 -4.35 116.66 116.25 1u90 n ARG 135 Ca 0.00 0.80 0.01 0.00 -0.92 0.00 0.00 57.85 57.74 1u90 n ARG 135 Cb 0.30 -2.58 -0.01 0.00 0.45 0.00 0.00 32.46 30.62 1u90 n ARG 135 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1u90 n GLN 136 N 3.88 5.92 -4.11 -0.14 6.02 0.21 -4.95 117.38 124.21 1u90 n GLN 136 Ca 0.18 -0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.84 1u90 n GLN 136 Cb 0.29 -0.63 -0.16 0.00 1.02 0.00 0.00 30.24 30.76 1u90 n GLN 136 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1u90 s VAL 137 N -1.27 2.01 0.60 5.09 1.01 -1.00 -4.77 120.40 122.07 1u90 s VAL 137 Ca 0.01 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 1u90 s VAL 137 Cb 0.02 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1u90 s VAL 137 CO 0.10 0.52 1.03 -0.94 0.00 0.00 0.00 175.10 175.81 1u90 s SER 138 N 1.31 6.07 0.50 3.32 1.04 -1.26 -4.93 113.70 119.74 1u90 s SER 138 Ca 0.05 1.60 0.20 0.00 0.48 0.00 0.00 55.95 58.28 1u90 s SER 138 Cb -0.13 -2.50 1.27 0.00 0.10 0.00 0.00 66.02 64.76 1u90 s SER 138 CO -0.13 -0.97 2.07 0.58 0.98 0.00 0.00 173.24 175.78 1u90 h VAL 139 N 0.17 0.89 0.18 5.02 2.07 -2.00 -2.87 116.25 119.71 1u90 h VAL 139 Ca -0.46 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1u90 h VAL 139 Cb 1.20 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1u90 h VAL 139 CO 0.60 0.11 -0.09 -0.33 0.02 0.00 0.00 177.57 177.88 1u90 h GLU 140 N 0.00 -0.23 -0.61 1.57 3.07 -1.99 -2.38 114.58 114.00 1u90 h GLU 140 Ca -0.00 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.83 1u90 h GLU 140 Cb 0.23 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1u90 h GLU 140 CO 0.01 0.12 0.18 1.05 -1.40 0.00 0.00 179.01 178.97 1u90 h GLU 141 N -0.62 0.92 -0.32 2.33 4.11 -1.93 -1.39 114.58 117.68 1u90 h GLU 141 Ca -0.02 -0.18 -0.02 0.00 0.07 0.00 0.00 59.36 59.21 1u90 h GLU 141 Cb 0.45 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1u90 h GLU 141 CO 0.04 0.80 0.13 0.00 0.07 0.00 0.00 179.01 180.04 1u90 h ALA 142 N 1.31 0.42 -0.64 1.06 0.00 -1.55 -2.26 119.26 117.59 1u90 h ALA 142 Ca 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1u90 h ALA 142 Cb 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1u90 h ALA 142 CO -0.01 0.02 0.23 0.87 0.00 0.00 0.00 179.25 180.36 1u90 h LYS 143 N 0.37 0.96 -0.41 0.00 1.57 -1.20 -0.93 116.57 116.93 1u90 h LYS 143 Ca 0.11 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1u90 h LYS 143 Cb 0.19 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1u90 h LYS 143 CO -0.01 0.80 0.25 -0.91 -0.57 0.00 0.00 179.45 179.01 1u90 h ASN 144 N 0.93 0.49 -0.35 0.86 2.35 -1.01 0.60 115.58 119.46 1u90 h ASN 144 Ca 0.21 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1u90 h ASN 144 Cb 0.22 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1u90 h ASN 144 CO -0.01 0.41 0.16 -0.09 -1.65 0.00 0.00 177.43 176.24 1u90 h ARG 145 N 0.54 0.50 -0.95 0.81 2.43 -1.05 -1.23 114.38 115.43 1u90 h ARG 145 Ca 0.15 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1u90 h ARG 145 Cb 0.00 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.40 1u90 h ARG 145 CO -0.03 0.46 0.61 0.00 -1.51 0.00 0.00 179.97 179.50 1u90 h ALA 146 N 1.02 1.29 -0.68 2.80 0.00 -0.86 -1.23 119.26 121.60 1u90 h ALA 146 Ca 0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1u90 h ALA 146 Cb 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1u90 h ALA 146 CO -0.01 0.42 0.20 -0.44 0.00 0.00 0.00 179.25 179.42 1u90 h ASP 147 N 1.13 0.99 -0.08 0.00 3.32 -0.42 -0.57 116.42 120.79 1u90 h ASP 147 Ca 0.40 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 1u90 h ASP 147 Cb 0.11 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1u90 h ASP 147 CO -0.15 0.93 -0.11 -0.61 -1.72 0.00 0.00 179.24 177.57 1u90 h GLN 148 N 1.01 0.38 -0.02 3.56 4.15 -0.09 -2.06 115.11 122.04 1u90 h GLN 148 Ca 0.22 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1u90 h GLN 148 Cb 0.30 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1u90 h GLN 148 CO -0.01 0.50 0.00 0.91 -1.93 0.00 0.00 178.83 178.30 1u90 n TRP 149 N -4.24 0.00 -3.56 3.99 8.01 -0.74 -4.96 117.44 115.95 1u90 n TRP 149 Ca 0.00 -0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 55.99 1u90 n TRP 149 Cb 0.29 0.00 0.07 0.00 -2.01 0.00 0.00 31.31 29.65 1u90 n TRP 149 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1u90 n ASN 150 N 0.55 -2.33 -4.26 -0.99 5.03 -0.35 -5.02 115.26 107.89 1u90 n ASN 150 Ca 0.17 -0.68 -0.14 0.00 0.87 0.00 0.00 54.58 54.80 1u90 n ASN 150 Cb 0.43 -4.72 -0.10 0.00 -1.02 0.00 0.00 39.78 34.37 1u90 n ASN 150 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1u90 s VAL 151 N -3.45 0.61 0.27 2.41 -7.23 -0.46 -5.04 120.40 107.52 1u90 s VAL 151 Ca 0.09 -1.99 -0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1u90 s VAL 151 Cb -0.04 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 1u90 s VAL 151 CO 0.76 -0.31 0.46 0.20 -0.31 0.00 0.00 175.10 175.90 1u90 s ASN 152 N -3.22 6.35 -0.09 4.85 0.01 -1.26 -4.21 114.94 117.38 1u90 s ASN 152 Ca 0.29 0.41 0.02 0.00 -0.71 0.00 0.00 52.86 52.87 1u90 s ASN 152 Cb 0.07 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.70 1u90 s ASN 152 CO 0.07 -0.15 -0.16 -0.47 -1.51 0.00 0.00 177.10 174.89 1u90 s TYR 153 N -2.06 2.71 -0.00 2.20 5.04 -1.26 -1.85 117.35 122.12 1u90 s TYR 153 Ca 0.39 -0.47 0.00 0.00 -2.44 0.00 0.00 57.07 54.55 1u90 s TYR 153 Cb -0.10 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.49 1u90 s TYR 153 CO 0.32 -0.06 -0.01 0.08 -1.34 0.00 0.00 175.55 174.53 1u90 s VAL 154 N -0.15 0.11 -0.12 3.14 1.01 -0.80 -5.00 120.40 118.58 1u90 s VAL 154 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 1u90 s VAL 154 Cb -0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1u90 s VAL 154 CO 0.03 0.04 0.04 -1.61 0.00 0.00 0.00 175.10 173.61 1u90 s GLU 155 N 0.06 3.34 0.27 2.72 2.02 -1.26 -1.21 118.70 124.64 1u90 s GLU 155 Ca -0.00 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 54.67 1u90 s GLU 155 Cb -0.02 -2.98 -0.05 0.00 0.10 0.00 0.00 34.13 31.19 1u90 s GLU 155 CO -0.00 0.60 0.12 0.95 0.02 0.00 0.00 175.26 176.95 1u90 s THR 156 N -0.58 0.45 -0.19 3.63 -4.23 -0.05 -4.65 115.64 110.01 1u90 s THR 156 Ca 0.11 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1u90 s THR 156 Cb -0.12 -2.58 0.08 0.00 1.34 0.00 0.00 72.50 71.22 1u90 s THR 156 CO 0.02 0.00 0.18 -0.55 -0.54 0.00 0.00 174.62 173.73 1u90 s SER 157 N -3.33 1.67 0.36 3.99 0.15 -1.01 -0.86 113.70 114.68 1u90 s SER 157 Ca 0.37 -0.33 0.27 0.00 0.70 0.00 0.00 55.95 56.96 1u90 s SER 157 Cb 0.07 0.17 1.13 0.00 -1.71 0.00 0.00 66.02 65.68 1u90 s SER 157 CO 0.15 -0.33 1.81 0.00 1.20 0.00 0.00 173.24 176.06 1u90 h ALA 158 N 8.35 1.00 0.00 5.45 0.00 -1.90 0.28 119.26 132.43 1u90 h ALA 158 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1u90 h ALA 158 Cb 1.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1u90 h ALA 158 CO 0.28 0.00 -0.06 -0.22 0.00 0.00 0.00 179.25 179.25 1u90 h LYS 159 N 0.00 0.00 -0.00 0.00 3.64 -1.94 -3.36 116.57 114.91 1u90 h LYS 159 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u90 h LYS 159 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1u90 h LYS 159 CO 0.00 0.90 -0.43 0.25 -2.27 0.00 0.00 179.45 177.90 1u90 n THR 160 N -4.62 0.00 -1.15 1.00 -2.24 -1.20 -4.87 114.28 101.21 1u90 n THR 160 Ca -0.10 -0.06 -0.05 0.00 -2.27 0.00 0.00 64.05 61.56 1u90 n THR 160 Cb 0.44 0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 1u90 n THR 160 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1u90 n ARG 161 N -1.08 -0.56 -2.02 -0.78 0.63 0.94 -4.98 116.66 108.81 1u90 n ARG 161 Ca 0.08 0.58 -0.42 0.00 -0.92 0.00 0.00 57.85 57.17 1u90 n ARG 161 Cb 0.35 -4.30 -0.03 0.00 0.45 0.00 0.00 32.46 28.93 1u90 n ARG 161 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1u90 s ALA 162 N -2.08 3.64 0.00 5.13 0.00 -1.05 -2.80 121.76 124.60 1u90 s ALA 162 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1u90 s ALA 162 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1u90 s ALA 162 CO 0.00 -1.12 0.00 0.09 0.00 0.00 0.00 175.76 174.73 1u90 n ASN 163 N 5.90 -5.52 0.02 0.00 3.02 -1.26 -2.40 115.26 115.02 1u90 n ASN 163 Ca 0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.58 1u90 n ASN 163 Cb 0.42 -3.02 -0.08 0.00 -0.61 0.00 0.00 39.78 36.49 1u90 n ASN 163 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1u90 h VAL 164 N 0.00 1.14 -0.74 2.41 2.07 -1.83 -2.01 116.25 117.29 1u90 h VAL 164 Ca 0.00 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1u90 h VAL 164 Cb 0.84 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1u90 h VAL 164 CO 0.00 0.12 0.26 0.44 0.02 0.00 0.00 177.57 178.41 1u90 h ASP 165 N -0.22 1.06 -0.66 0.57 3.32 -1.90 -3.09 116.42 115.50 1u90 h ASP 165 Ca -0.00 -0.19 0.09 0.00 0.02 0.00 0.00 57.03 56.94 1u90 h ASP 165 Cb 0.21 -0.28 -0.07 0.00 0.22 0.00 0.00 39.33 39.42 1u90 h ASP 165 CO 0.00 0.97 0.32 0.50 -1.72 0.00 0.00 179.24 179.31 1u90 h LYS 166 N 1.09 0.54 -0.40 3.56 3.64 -1.90 0.72 116.57 123.81 1u90 h LYS 166 Ca 0.24 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1u90 h LYS 166 Cb 0.27 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1u90 h LYS 166 CO -0.01 0.36 0.07 -0.39 -2.27 0.00 0.00 179.45 177.21 1u90 h VAL 167 N 0.55 1.24 -0.39 2.00 -1.51 -1.29 0.42 116.25 117.27 1u90 h VAL 167 Ca 0.32 -0.84 -0.09 0.00 -1.23 0.00 0.00 66.70 64.86 1u90 h VAL 167 Cb 0.33 1.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.49 1u90 h VAL 167 CO -0.26 0.29 -0.11 -0.26 -1.23 0.00 0.00 177.57 176.00 1u90 h PHE 168 N 0.51 0.86 -0.17 5.19 0.04 -1.50 -1.45 116.94 120.41 1u90 h PHE 168 Ca 0.12 -0.19 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 1u90 h PHE 168 Cb 0.35 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1u90 h PHE 168 CO 0.02 0.90 0.02 0.74 -0.60 0.00 0.00 178.31 179.40 1u90 h PHE 169 N 0.57 0.31 -0.74 -0.55 0.05 -0.72 -1.16 116.94 114.70 1u90 h PHE 169 Ca 0.10 -0.05 -0.01 0.00 3.82 0.00 0.00 57.97 61.83 1u90 h PHE 169 Cb 0.64 -0.08 -0.04 0.00 2.00 0.00 0.00 35.95 38.47 1u90 h PHE 169 CO 0.05 0.47 0.43 -0.44 -0.18 0.00 0.00 178.31 178.64 1u90 h ASP 170 N 0.07 0.89 -0.42 2.17 3.32 -0.14 -1.37 116.42 120.94 1u90 h ASP 170 Ca 0.05 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1u90 h ASP 170 Cb 0.33 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1u90 h ASP 170 CO 0.01 0.70 -0.06 0.25 -1.72 0.00 0.00 179.24 178.42 1u90 h LEU 171 N 1.02 0.77 -1.64 1.55 5.85 -1.10 -2.43 115.31 119.33 1u90 h LEU 171 Ca 0.26 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1u90 h LEU 171 Cb -0.02 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1u90 h LEU 171 CO -0.05 0.93 0.15 0.24 -0.34 0.00 0.00 178.44 179.37 1u90 h MET 172 N 0.60 0.39 -0.41 1.25 2.86 -0.61 -1.48 114.93 117.53 1u90 h MET 172 Ca 0.11 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1u90 h MET 172 Cb 0.57 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1u90 h MET 172 CO 0.03 0.30 -0.14 0.00 1.06 0.00 0.00 176.91 178.16 1u90 h ARG 173 N 0.40 0.75 -0.26 1.72 3.08 -0.81 0.78 114.38 120.03 1u90 h ARG 173 Ca 0.10 -0.26 -0.13 0.00 0.07 0.00 0.00 59.98 59.77 1u90 h ARG 173 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1u90 h ARG 173 CO -0.02 0.85 -0.38 0.93 -1.07 0.00 0.00 179.97 180.29 1u90 h GLU 174 N 0.67 0.59 -0.26 0.04 5.08 -0.93 -2.75 114.58 117.02 1u90 h GLU 174 Ca 0.11 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1u90 h GLU 174 Cb 0.62 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1u90 h GLU 174 CO 0.04 0.87 0.06 0.82 -1.00 0.00 0.00 179.01 179.80 1u90 h ILE 175 N 0.49 1.22 -0.18 3.13 2.04 -0.89 -2.52 117.51 120.79 1u90 h ILE 175 Ca 0.05 -0.71 0.05 0.00 1.00 0.00 0.00 64.86 65.25 1u90 h ILE 175 Cb 0.87 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1u90 h ILE 175 CO 0.08 0.23 0.27 -0.09 0.00 0.00 0.00 178.15 178.63 1u90 h ARG 176 N 0.24 0.00 -0.59 2.37 2.43 -0.62 0.32 114.38 118.55 1u90 h ARG 176 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1u90 h ARG 176 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1u90 h ARG 176 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 1u90 n ALA 177 N -2.22 3.06 0.00 2.80 0.00 -0.96 -5.09 120.51 118.09 1u90 n ALA 177 Ca 0.02 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.80 1u90 n ALA 177 Cb 0.38 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1u90 n ALA 177 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39