#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1o h SER 13 N 0.00 0.00 0.00 -1.34 0.02 -2.03 0.84 113.55 111.03 1h1o h SER 13 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1h1o h SER 13 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1h1o h SER 13 CO 0.00 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.49 1h1o n SER 14 N -2.65 2.36 -0.11 3.07 7.64 -1.26 0.61 113.62 123.28 1h1o n SER 14 Ca -0.02 -1.97 0.04 0.00 1.01 0.00 0.00 58.87 57.94 1h1o n SER 14 Cb 0.23 -0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 62.92 1h1o n SER 14 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1h1o n ASP 15 N 0.36 0.82 0.00 6.43 10.43 0.29 -4.66 116.55 130.22 1h1o n ASP 15 Ca 0.00 -0.91 0.00 0.00 2.57 0.00 0.00 54.79 56.45 1h1o n ASP 15 Cb 0.42 0.70 0.00 0.00 1.84 0.00 0.00 41.12 44.08 1h1o n ASP 15 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1h1o h MET 17 N 0.00 0.00 -0.48 0.00 2.86 -1.08 0.20 114.93 116.43 1h1o h MET 17 Ca 0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1h1o h MET 17 Cb 0.85 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 1h1o h MET 17 CO 0.00 0.00 0.27 0.28 1.06 0.00 0.00 176.91 178.52 1h1o h VAL 18 N 0.00 1.01 0.04 -2.22 2.07 -1.83 -1.84 116.25 113.49 1h1o h VAL 18 Ca 0.00 -0.18 -0.34 0.00 0.82 0.00 0.00 66.70 67.00 1h1o h VAL 18 Cb 0.04 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1h1o h VAL 18 CO 0.00 0.10 -1.90 0.00 0.02 0.00 0.00 177.57 175.78 1h1o n HIS 20 N -3.95 0.00 -2.77 0.00 8.25 -0.06 0.14 115.22 116.84 1h1o n HIS 20 Ca -0.38 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.12 1h1o n HIS 20 Cb 0.88 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.97 1h1o n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h1o n GLY 21 N 0.42 -1.78 3.21 -1.41 0.00 -0.69 -4.19 105.19 100.75 1h1o n GLY 21 Ca 0.07 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 1h1o n GLY 21 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1h1o s MET 22 N -0.74 0.96 0.13 1.61 1.75 0.14 -4.42 119.30 118.73 1h1o s MET 22 Ca 0.00 -1.29 0.05 0.00 -1.25 0.00 0.00 55.69 53.20 1h1o s MET 22 Cb 0.00 0.29 0.43 0.00 2.84 0.00 0.00 34.83 38.39 1h1o s MET 22 CO 0.00 -0.30 0.60 2.41 -0.65 0.00 0.00 175.02 177.08 1h1o n THR 23 N -0.11 -0.16 0.87 10.11 -1.04 -1.26 0.18 114.28 122.87 1h1o n THR 23 Ca -0.08 0.80 0.09 0.00 -2.04 0.00 0.00 64.05 62.82 1h1o n THR 23 Cb 0.63 -1.25 -0.08 0.00 -1.82 0.00 0.00 70.33 67.81 1h1o n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h1o n GLY 24 N -1.13 -0.56 3.12 3.41 0.00 -1.26 -4.86 105.19 103.91 1h1o n GLY 24 Ca 0.12 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1h1o n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1h1o s ARG 25 N -2.62 2.45 0.30 1.61 3.52 0.47 -5.13 118.95 119.55 1h1o s ARG 25 Ca 0.09 -0.67 -0.05 0.00 -0.13 0.00 0.00 55.73 54.98 1h1o s ARG 25 Cb 0.14 -1.93 0.08 0.00 -1.56 0.00 0.00 34.95 31.68 1h1o s ARG 25 CO 0.69 0.08 0.18 -3.47 -0.81 0.00 0.00 175.30 171.97 1h1o n ASP 26 N 3.76 -2.33 -4.85 -2.12 2.03 -1.26 0.24 116.55 112.03 1h1o n ASP 26 Ca -0.20 -0.23 -0.31 0.00 0.52 0.00 0.00 54.79 54.57 1h1o n ASP 26 Cb 0.52 -0.20 0.04 0.00 -0.72 0.00 0.00 41.12 40.76 1h1o n ASP 26 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1h1o s THR 27 N -1.24 4.11 0.37 5.18 -4.23 -1.26 -3.32 115.64 115.25 1h1o s THR 27 Ca 0.14 0.69 0.07 0.00 -1.18 0.00 0.00 61.69 61.41 1h1o s THR 27 Cb -0.02 -3.56 0.30 0.00 1.34 0.00 0.00 72.50 70.56 1h1o s THR 27 CO 0.11 -0.90 1.95 -0.07 -0.54 0.00 0.00 174.62 175.18 1h1o h LEU 28 N -0.59 0.62 -7.74 4.79 3.38 0.96 -3.45 115.31 113.28 1h1o h LEU 28 Ca -0.44 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 1h1o h LEU 28 Cb 1.21 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 41.69 1h1o h LEU 28 CO 0.60 0.39 -0.35 -0.31 0.09 0.00 0.00 178.44 178.86 1h1o s TYR 29 N -5.63 0.07 0.50 1.13 1.51 -1.26 -5.04 117.35 108.63 1h1o s TYR 29 Ca -0.09 -0.41 0.30 0.00 -1.01 0.00 0.00 57.07 55.86 1h1o s TYR 29 Cb 0.20 -0.02 1.41 0.00 -0.11 0.00 0.00 41.96 43.44 1h1o s TYR 29 CO 0.77 -0.52 1.81 -1.35 -1.11 0.00 0.00 175.55 175.16 1h1o h PRO 30 N 2.98 0.11 0.00 -1.71 0.11 -1.98 0.19 132.00 131.70 1h1o h PRO 30 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1h1o h PRO 30 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1h1o h PRO 30 CO 0.52 0.08 0.00 0.44 -0.21 0.00 0.00 178.00 178.83 1h1o n ILE 31 N -4.33 0.08 -3.48 4.15 -5.35 -1.26 -1.61 119.36 107.56 1h1o n ILE 31 Ca 0.24 0.02 -0.41 0.00 -0.27 0.00 0.00 62.75 62.33 1h1o n ILE 31 Cb 1.08 -0.56 -0.10 0.00 -1.74 0.00 0.00 39.64 38.32 1h1o n ILE 31 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1h1o s VAL 32 N -2.55 5.24 0.51 7.28 1.01 0.66 -4.85 120.40 127.71 1h1o s VAL 32 Ca 0.27 -0.17 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 1h1o s VAL 32 Cb 0.19 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1h1o s VAL 32 CO 0.43 -0.07 1.07 -2.16 0.00 0.00 0.00 175.10 174.37 1h1o s PRO 33 N 1.82 3.63 0.49 2.72 0.04 -1.26 -4.72 135.00 137.70 1h1o s PRO 33 Ca 0.08 1.46 -0.21 0.00 0.04 0.00 0.00 61.00 62.37 1h1o s PRO 33 Cb -0.17 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 1h1o s PRO 33 CO 0.11 -0.60 1.06 1.03 0.04 0.00 0.00 177.00 178.65 1h1o s ARG 34 N -3.25 3.75 -0.01 4.56 0.52 -1.26 -4.85 118.95 118.41 1h1o s ARG 34 Ca 0.69 1.44 0.04 0.00 -0.52 0.00 0.00 55.73 57.39 1h1o s ARG 34 Cb -0.19 -2.13 -0.06 0.00 0.52 0.00 0.00 34.95 33.08 1h1o s ARG 34 CO 0.23 -0.49 0.09 1.28 0.02 0.00 0.00 175.30 176.43 1h1o n LEU 35 N -0.92 0.00 -4.67 2.53 4.77 -1.26 -4.94 117.00 112.51 1h1o n LEU 35 Ca 0.09 0.00 -0.53 0.00 -0.03 0.00 0.00 56.01 55.54 1h1o n LEU 35 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1h1o n LEU 35 CO 0.41 0.00 1.22 0.00 -1.33 0.00 0.00 177.39 177.69 1h1o n ALA 36 N -1.67 -0.09 -0.92 -1.18 0.00 -1.26 -1.42 120.51 113.98 1h1o n ALA 36 Ca -0.01 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1h1o n ALA 36 Cb 0.13 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1h1o n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h1o n GLY 37 N 3.67 0.85 3.76 0.00 0.00 0.77 -1.38 105.19 112.85 1h1o n GLY 37 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1h1o n GLY 37 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1h1o s GLN 38 N -0.16 3.50 0.35 1.61 2.00 -0.51 -4.87 119.66 121.59 1h1o s GLN 38 Ca 0.00 1.95 -0.28 0.00 -2.00 0.00 0.00 55.36 55.03 1h1o s GLN 38 Cb 0.00 -2.34 -0.10 0.00 0.80 0.00 0.00 33.01 31.37 1h1o s GLN 38 CO 0.00 -0.81 1.32 -1.01 -0.50 0.00 0.00 175.29 174.28 1h1o s HIS 39 N -1.45 2.98 0.12 1.67 3.76 -1.26 -3.90 115.29 117.20 1h1o s HIS 39 Ca 0.67 1.40 -0.34 0.00 -0.15 0.00 0.00 55.06 56.64 1h1o s HIS 39 Cb -0.33 -3.70 -0.13 0.00 1.11 0.00 0.00 32.58 29.53 1h1o s HIS 39 CO 0.40 -1.96 1.55 0.87 -0.85 0.00 0.00 174.74 174.75 1h1o h LYS 40 N 3.24 -0.59 -0.91 1.40 1.57 -1.86 -0.29 116.57 119.14 1h1o h LYS 40 Ca -0.49 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 58.49 1h1o h LYS 40 Cb 1.23 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.60 1h1o h LYS 40 CO 0.65 -0.39 0.59 0.66 -0.57 0.00 0.00 179.45 180.38 1h1o h SER 41 N -0.61 0.63 0.21 0.86 4.64 -1.92 0.21 113.55 117.57 1h1o h SER 41 Ca 0.03 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1h1o h SER 41 Cb 0.69 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1h1o h SER 41 CO -0.42 0.30 -0.10 0.22 -0.87 0.00 0.00 176.83 175.96 1h1o h TYR 42 N 0.65 -0.26 -0.43 4.77 3.20 -1.25 0.41 116.97 124.07 1h1o h TYR 42 Ca 0.47 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.42 1h1o h TYR 42 Cb 0.82 0.09 -0.08 0.00 1.54 0.00 0.00 36.73 39.09 1h1o h TYR 42 CO -0.00 0.10 -0.13 0.52 -1.64 0.00 0.00 178.16 177.01 1h1o h MET 43 N -0.66 -0.03 -0.38 1.82 2.86 -0.32 0.88 114.93 119.09 1h1o h MET 43 Ca -0.03 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1h1o h MET 43 Cb 0.47 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1h1o h MET 43 CO 0.05 -0.02 0.15 1.49 1.06 0.00 0.00 176.91 179.64 1h1o h GLU 44 N -0.03 0.31 -0.38 1.72 4.81 -0.57 -0.06 114.58 120.37 1h1o h GLU 44 Ca 0.21 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1h1o h GLU 44 Cb 0.34 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1h1o h GLU 44 CO -0.46 0.20 0.25 0.00 -0.73 0.00 0.00 179.01 178.28 1h1o h ALA 45 N 1.23 0.49 0.26 2.92 0.00 0.53 -1.47 119.26 123.22 1h1o h ALA 45 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1h1o h ALA 45 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1h1o h ALA 45 CO -0.16 -0.05 -0.12 1.96 0.00 0.00 0.00 179.25 180.87 1h1o h GLN 46 N 0.52 -0.34 -0.95 0.00 1.08 -0.33 0.59 115.11 115.68 1h1o h GLN 46 Ca 0.14 0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.48 1h1o h GLN 46 Cb -0.05 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.38 1h1o h GLN 46 CO -0.03 -0.19 0.61 -0.07 -0.95 0.00 0.00 178.83 178.20 1h1o h LEU 47 N -0.40 0.85 -0.54 1.46 3.38 -0.91 0.20 115.31 119.34 1h1o h LEU 47 Ca -0.04 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1h1o h LEU 47 Cb 0.30 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1h1o h LEU 47 CO 0.06 0.46 -0.57 0.11 0.09 0.00 0.00 178.44 178.59 1h1o h LYS 48 N 0.92 0.48 -0.58 1.13 1.57 -0.99 -1.13 116.57 117.97 1h1o h LYS 48 Ca 0.46 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1h1o h LYS 48 Cb 0.50 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1h1o h LYS 48 CO -0.23 0.92 0.11 0.00 -0.57 0.00 0.00 179.45 179.69 1h1o h ALA 49 N 1.01 0.77 -0.41 3.86 0.00 0.99 0.40 119.26 125.88 1h1o h ALA 49 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1h1o h ALA 49 Cb 1.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1h1o h ALA 49 CO 0.10 0.50 0.03 1.88 0.00 0.00 0.00 179.25 181.77 1h1o h TYR 50 N 0.85 0.76 -0.02 0.00 0.05 -0.61 0.44 116.97 118.44 1h1o h TYR 50 Ca 0.18 -0.12 0.01 0.00 0.05 0.00 0.00 58.73 58.85 1h1o h TYR 50 Cb 0.39 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 1h1o h TYR 50 CO 0.03 0.75 -0.02 -0.22 -1.05 0.00 0.00 178.16 177.65 1h1o h LYS 51 N 0.55 -0.03 -0.58 4.88 3.64 -0.86 -1.86 116.57 122.30 1h1o h LYS 51 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1h1o h LYS 51 Cb 0.43 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1h1o h LYS 51 CO 0.01 -0.02 0.00 -0.40 -2.27 0.00 0.00 179.45 176.78 1h1o n ASP 52 N -5.12 2.63 -0.48 4.20 5.68 0.10 -4.80 116.55 118.76 1h1o n ASP 52 Ca -0.06 -2.23 -0.06 0.00 -0.50 0.00 0.00 54.79 51.94 1h1o n ASP 52 Cb 0.06 -0.42 -0.03 0.00 -1.14 0.00 0.00 41.12 39.59 1h1o n ASP 52 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1h1o n HIS 53 N 0.43 -0.03 -0.01 2.11 8.25 0.23 -4.83 115.22 121.37 1h1o n HIS 53 Ca 0.13 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1h1o n HIS 53 Cb 0.51 -2.28 0.30 0.00 1.12 0.00 0.00 29.99 29.63 1h1o n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1h1o h SER 54 N 0.00 0.52 -3.32 0.41 4.64 -0.52 -3.31 113.55 111.97 1h1o h SER 54 Ca -0.12 -0.09 -0.66 0.00 -0.47 0.00 0.00 61.79 60.44 1h1o h SER 54 Cb 1.00 -0.14 -0.16 0.00 -0.31 0.00 0.00 62.40 62.79 1h1o h SER 54 CO 0.18 0.56 0.15 -0.60 -0.87 0.00 0.00 176.83 176.25 1h1o s ARG 55 N -5.04 3.19 -0.21 4.77 3.52 -0.99 -4.69 118.95 119.50 1h1o s ARG 55 Ca -0.08 -0.67 0.14 0.00 -0.13 0.00 0.00 55.73 54.99 1h1o s ARG 55 Cb 0.16 -4.06 0.45 0.00 -1.56 0.00 0.00 34.95 29.94 1h1o s ARG 55 CO 0.77 -1.22 1.35 0.00 -0.81 0.00 0.00 175.30 175.38 1h1o n ALA 56 N 6.41 3.39 -1.60 6.12 0.00 -1.25 -4.62 120.51 128.97 1h1o n ALA 56 Ca -0.04 -2.82 -0.35 0.00 0.00 0.00 0.00 53.44 50.23 1h1o n ALA 56 Cb 0.46 -0.59 0.05 0.00 0.00 0.00 0.00 19.45 19.36 1h1o n ALA 56 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1h1o s ASP 57 N -2.55 5.01 0.13 0.00 1.47 -1.15 -4.68 116.67 114.91 1h1o s ASP 57 Ca 0.40 2.25 -0.26 0.00 1.18 0.00 0.00 52.55 56.12 1h1o s ASP 57 Cb 0.36 -2.58 -0.06 0.00 -0.34 0.00 0.00 42.92 40.30 1h1o s ASP 57 CO 0.02 -1.70 1.43 1.67 0.68 0.00 0.00 175.17 177.26 1h1o n GLN 58 N -2.03 -0.37 0.18 2.11 7.27 -1.26 -0.99 117.38 122.29 1h1o n GLN 58 Ca 0.12 1.40 0.07 0.00 0.07 0.00 0.00 57.00 58.67 1h1o n GLN 58 Cb 0.51 -2.07 0.58 0.00 2.41 0.00 0.00 30.24 31.67 1h1o n GLN 58 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 1h1o h ASN 59 N 0.00 0.14 -0.36 1.69 2.35 -1.99 -1.31 115.58 116.10 1h1o h ASN 59 Ca 0.13 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 1h1o h ASN 59 Cb 0.34 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1h1o h ASN 59 CO -0.79 0.10 -0.18 1.23 -1.65 0.00 0.00 177.43 176.15 1h1o h GLY 60 N 0.16 0.82 0.80 2.83 0.00 -1.41 0.13 103.07 106.41 1h1o h GLY 60 Ca 0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 1h1o h GLY 60 CO -0.01 0.67 0.00 -2.09 0.00 0.00 0.00 176.54 175.12 1h1o h GLU 61 N 0.54 0.01 -0.03 4.80 4.81 -0.50 -0.43 114.58 123.80 1h1o h GLU 61 Ca 0.08 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1h1o h GLU 61 Cb 0.72 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1h1o h GLU 61 CO 0.05 0.21 0.00 0.82 -0.73 0.00 0.00 179.01 179.37 1h1o h ILE 62 N -0.19 1.25 -0.01 2.32 2.04 -1.22 -3.18 117.51 118.52 1h1o h ILE 62 Ca 0.00 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1h1o h ILE 62 Cb 0.21 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1h1o h ILE 62 CO -0.00 0.20 -0.48 -1.22 0.00 0.00 0.00 178.15 176.64 1h1o n TYR 63 N -4.91 0.00 0.00 1.37 4.02 0.46 -4.70 117.16 113.41 1h1o n TYR 63 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1h1o n TYR 63 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 1h1o n TYR 63 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1h1o n MET 64 N -0.29 2.84 -0.25 -0.72 2.81 -0.32 -4.64 117.12 116.55 1h1o n MET 64 Ca 0.07 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.93 1h1o n MET 64 Cb 0.39 -0.89 0.07 0.00 -0.71 0.00 0.00 33.22 32.08 1h1o n MET 64 CO 0.00 0.00 0.00 -1.49 1.51 0.00 0.00 175.97 175.99 1h1o h TRP 65 N 0.00 0.85 0.54 2.03 4.06 -1.12 0.13 115.95 122.44 1h1o h TRP 65 Ca 0.00 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.95 1h1o h TRP 65 Cb 0.66 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 1h1o h TRP 65 CO 0.00 0.50 -0.40 -1.35 -3.56 0.00 0.00 178.44 173.63 1h1o h PRO 66 N 0.89 -0.87 -0.26 0.49 0.11 -1.84 -0.41 132.00 130.11 1h1o h PRO 66 Ca 0.28 0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.43 1h1o h PRO 66 Cb -0.01 0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1h1o h PRO 66 CO -0.10 -0.58 0.06 -0.24 -0.21 0.00 0.00 178.00 176.94 1h1o h VAL 67 N -0.90 1.13 -0.37 3.15 3.04 -1.80 -2.49 116.25 118.00 1h1o h VAL 67 Ca -0.07 -0.46 -0.12 0.00 -1.01 0.00 0.00 66.70 65.04 1h1o h VAL 67 Cb 0.74 0.87 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 1h1o h VAL 67 CO 0.03 0.16 -0.26 0.00 -1.01 0.00 0.00 177.57 176.50 1h1o h ALA 68 N 1.70 0.84 -0.17 3.17 0.00 -0.57 -2.77 119.26 121.47 1h1o h ALA 68 Ca 0.09 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1h1o h ALA 68 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1h1o h ALA 68 CO -0.00 0.64 0.36 0.37 0.00 0.00 0.00 179.25 180.61 1h1o h GLN 69 N 0.66 0.00 -0.59 0.00 5.75 -0.59 0.18 115.11 120.52 1h1o h GLN 69 Ca 0.08 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.46 1h1o h GLN 69 Cb 0.78 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.25 1h1o h GLN 69 CO 0.06 0.00 0.14 0.00 -2.65 0.00 0.00 178.83 176.38 1h1o n ALA 70 N -2.10 4.12 -2.47 3.38 0.00 -1.05 -4.94 120.51 117.45 1h1o n ALA 70 Ca 0.02 -2.31 -0.32 0.00 0.00 0.00 0.00 53.44 50.83 1h1o n ALA 70 Cb 0.46 -1.09 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 1h1o n ALA 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h1o s LEU 71 N -2.94 2.51 0.41 0.00 1.43 0.62 -5.10 118.68 115.61 1h1o s LEU 71 Ca 0.52 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 1h1o s LEU 71 Cb 0.42 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.13 1h1o s LEU 71 CO 0.12 0.32 0.36 1.51 0.23 0.00 0.00 176.35 178.90 1h1o s ASP 72 N -0.61 5.05 0.26 2.29 3.84 -1.26 -4.92 116.67 121.32 1h1o s ASP 72 Ca 0.09 -0.73 -0.01 0.00 -0.00 0.00 0.00 52.55 51.90 1h1o s ASP 72 Cb -0.11 -0.60 0.56 0.00 -1.38 0.00 0.00 42.92 41.39 1h1o s ASP 72 CO 0.00 -0.62 1.71 0.28 -0.00 0.00 0.00 175.17 176.54 1h1o h SER 73 N 1.06 0.27 -0.38 2.11 0.02 -2.00 -0.05 113.55 114.58 1h1o h SER 73 Ca -0.42 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1h1o h SER 73 Cb 1.26 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.90 1h1o h SER 73 CO 0.58 0.05 0.24 0.00 -1.14 0.00 0.00 176.83 176.57 1h1o h ALA 74 N 1.62 0.48 -0.21 3.77 0.00 -1.99 -1.53 119.26 121.39 1h1o h ALA 74 Ca 0.47 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 1h1o h ALA 74 Cb 0.79 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1h1o h ALA 74 CO -0.47 -0.05 -0.25 0.87 0.00 0.00 0.00 179.25 179.36 1h1o h LYS 75 N 0.51 0.55 -0.37 0.00 6.56 -1.74 0.53 116.57 122.61 1h1o h LYS 75 Ca 0.14 -0.30 0.08 0.00 -1.06 0.00 0.00 60.65 59.50 1h1o h LYS 75 Cb -0.04 0.02 -0.08 0.00 -0.57 0.00 0.00 32.23 31.55 1h1o h LYS 75 CO -0.03 0.90 -0.24 0.82 -2.06 0.00 0.00 179.45 178.84 1h1o h ILE 76 N 0.23 0.36 -0.71 1.86 2.04 -0.90 0.74 117.51 121.13 1h1o h ILE 76 Ca 0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 1h1o h ILE 76 Cb 0.81 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1h1o h ILE 76 CO 0.06 0.00 0.30 0.74 0.00 0.00 0.00 178.15 179.25 1h1o h THR 77 N -0.18 1.24 -0.13 -0.27 2.02 -1.20 0.13 112.91 114.52 1h1o h THR 77 Ca 0.18 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1h1o h THR 77 Cb 0.46 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1h1o h THR 77 CO -0.48 0.30 0.08 0.00 0.37 0.00 0.00 175.52 175.79 1h1o h ALA 78 N 1.14 0.16 -0.08 6.16 0.00 0.91 -0.68 119.26 126.86 1h1o h ALA 78 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1h1o h ALA 78 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1h1o h ALA 78 CO -0.02 -0.36 0.03 -0.07 0.00 0.00 0.00 179.25 178.82 1h1o h LEU 79 N 0.16 0.12 -0.68 0.00 3.38 0.63 -0.32 115.31 118.60 1h1o h LEU 79 Ca 0.05 -0.20 0.14 0.00 0.09 0.00 0.00 57.88 57.96 1h1o h LEU 79 Cb -0.01 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.60 1h1o h LEU 79 CO -0.02 0.28 0.13 0.00 0.09 0.00 0.00 178.44 178.93 1h1o h ALA 80 N 0.84 0.82 -0.03 1.53 0.00 -0.57 -0.10 119.26 121.75 1h1o h ALA 80 Ca 0.03 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1h1o h ALA 80 Cb 0.20 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1h1o h ALA 80 CO -0.00 -0.33 0.02 0.22 0.00 0.00 0.00 179.25 179.15 1h1o h ASP 81 N 0.24 0.04 0.21 0.00 3.58 -0.84 -1.98 116.42 117.68 1h1o h ASP 81 Ca 0.37 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.75 1h1o h ASP 81 Cb 0.60 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.60 1h1o h ASP 81 CO -0.48 0.11 -0.45 0.22 -2.88 0.00 0.00 179.24 175.75 1h1o h TYR 82 N -0.02 -1.28 -0.29 0.28 3.20 0.70 -1.99 116.97 117.57 1h1o h TYR 82 Ca 0.01 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1h1o h TYR 82 Cb 0.07 0.53 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1h1o h TYR 82 CO -0.05 -0.56 -0.15 0.74 -1.64 0.00 0.00 178.16 176.49 1h1o h PHE 83 N -0.75 0.54 -0.66 -3.82 -1.00 -1.25 -1.84 116.94 108.15 1h1o h PHE 83 Ca -0.00 -0.09 0.04 0.00 2.81 0.00 0.00 57.97 60.73 1h1o h PHE 83 Cb 0.73 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 40.12 1h1o h PHE 83 CO -0.35 0.63 0.44 -0.97 -1.61 0.00 0.00 178.31 176.44 1h1o h ASN 84 N 0.46 0.66 1.45 2.17 -1.24 -1.08 0.24 115.58 118.24 1h1o h ASN 84 Ca 0.08 -0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.04 1h1o h ASN 84 Cb 0.54 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 1h1o h ASN 84 CO 0.03 0.45 -0.56 0.00 -1.29 0.00 0.00 177.43 176.06 1h1o h ALA 85 N 1.62 0.75 -1.49 1.57 0.00 -0.89 -3.16 119.26 117.65 1h1o h ALA 85 Ca 0.27 -0.23 -0.64 0.00 0.00 0.00 0.00 54.91 54.32 1h1o h ALA 85 Cb 0.12 0.02 0.13 0.00 0.00 0.00 0.00 17.79 18.05 1h1o h ALA 85 CO -0.08 0.28 -0.58 1.04 0.00 0.00 0.00 179.25 179.91 1h1o n GLN 86 N -3.00 0.23 -4.16 0.00 6.02 -0.74 -4.85 117.38 110.89 1h1o n GLN 86 Ca 0.01 0.08 -0.16 0.00 -0.01 0.00 0.00 57.00 56.92 1h1o n GLN 86 Cb 0.63 -1.17 -0.14 0.00 1.02 0.00 0.00 30.24 30.58 1h1o n GLN 86 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1h1o s LYS 87 N -1.16 0.43 0.34 -1.09 -0.14 -1.26 -3.69 119.74 113.17 1h1o s LYS 87 Ca 0.62 -0.20 -0.26 0.00 -1.36 0.00 0.00 55.97 54.77 1h1o s LYS 87 Cb -0.76 -0.41 -0.10 0.00 -1.68 0.00 0.00 37.83 34.89 1h1o s LYS 87 CO 0.59 0.11 0.98 -2.14 -0.76 0.00 0.00 175.35 174.13 1h1o s PRO 88 N -0.16 4.48 0.92 -1.68 0.02 -1.26 -4.89 135.00 132.43 1h1o s PRO 88 Ca 0.02 1.41 -0.12 0.00 0.02 0.00 0.00 61.00 62.32 1h1o s PRO 88 Cb -0.02 -2.76 0.06 0.00 0.02 0.00 0.00 34.50 31.80 1h1o s PRO 88 CO -0.00 0.17 0.67 -0.35 -0.33 0.00 0.00 177.00 177.16 1h1o n PRO 89 N 0.45 -0.26 -1.64 5.54 -0.04 -1.24 -4.72 135.00 133.08 1h1o n PRO 89 Ca 0.02 -0.02 -0.60 0.00 -0.04 0.00 0.00 63.50 62.86 1h1o n PRO 89 Cb 0.50 -2.04 -0.08 0.00 -0.04 0.00 0.00 33.50 31.84 1h1o n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h1o n MET 90 N -2.44 0.53 -4.29 0.54 0.00 -0.48 -4.94 117.12 106.04 1h1o n MET 90 Ca 0.09 0.19 -0.16 0.00 0.00 0.00 0.00 57.70 57.82 1h1o n MET 90 Cb 0.53 -1.77 -0.10 0.00 0.00 0.00 0.00 33.22 31.88 1h1o n MET 90 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1h1o s GLN 91 N 1.82 1.17 0.45 3.17 -0.21 -1.25 -4.28 119.66 120.52 1h1o s GLN 91 Ca 0.95 -1.48 -0.24 0.00 0.02 0.00 0.00 55.36 54.61 1h1o s GLN 91 Cb -1.22 -0.86 -0.09 0.00 1.00 0.00 0.00 33.01 31.84 1h1o s GLN 91 CO 0.64 0.13 1.24 0.45 -2.12 0.00 0.00 175.29 175.63 1h1o n SER 92 N -0.18 2.35 0.18 5.90 2.88 -1.01 -4.85 113.62 118.89 1h1o n SER 92 Ca -0.10 1.07 0.07 0.00 -1.33 0.00 0.00 58.87 58.58 1h1o n SER 92 Cb 0.60 -1.49 0.13 0.00 -0.75 0.00 0.00 64.21 62.70 1h1o n SER 92 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1h1o h SER 93 N 1.87 0.00 0.00 -3.46 4.64 -1.90 -3.47 113.55 111.23 1h1o h SER 93 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1h1o h SER 93 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1h1o h SER 93 CO 0.59 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 1h1o n GLY 94 N 1.08 1.58 3.69 -0.77 0.00 -1.26 -5.07 105.19 104.44 1h1o n GLY 94 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1h1o n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h1o s ILE 95 N -2.16 3.15 0.00 -0.61 1.01 -1.26 -4.94 121.20 116.39 1h1o s ILE 95 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 60.65 60.96 1h1o s ILE 95 Cb 0.00 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1h1o s ILE 95 CO 0.00 0.00 1.11 -0.54 0.00 0.00 0.00 174.94 175.51 1h1o s LYS 96 N 2.49 4.45 -0.13 2.79 1.02 -1.26 -4.98 119.74 124.13 1h1o s LYS 96 Ca 0.72 1.60 0.02 0.00 0.02 0.00 0.00 55.97 58.33 1h1o s LYS 96 Cb -0.38 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 33.49 1h1o s LYS 96 CO 0.31 -0.24 -0.19 -1.01 -0.92 0.00 0.00 175.35 173.30 1h1o s HIS 97 N 1.38 2.39 0.58 3.18 3.76 -1.26 -5.12 115.29 120.21 1h1o s HIS 97 Ca 0.55 -1.18 -0.20 0.00 -0.15 0.00 0.00 55.06 54.09 1h1o s HIS 97 Cb -0.25 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 1h1o s HIS 97 CO 0.26 -0.56 1.27 0.00 -0.85 0.00 0.00 174.74 174.86 1h1o s ALA 98 N 0.87 2.61 0.00 -1.40 0.00 -1.26 -3.87 121.76 118.71 1h1o s ALA 98 Ca -0.07 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1h1o s ALA 98 Cb -0.15 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1h1o s ALA 98 CO -0.02 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 174.87 1h1o n GLY 99 N 0.67 0.71 0.25 0.00 0.00 -1.26 -4.62 105.19 100.94 1h1o n GLY 99 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 1h1o n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h1o h ALA 100 N 0.00 0.27 -0.15 4.61 0.00 -1.78 0.32 119.26 122.54 1h1o h ALA 100 Ca 0.00 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1h1o h ALA 100 Cb 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1h1o h ALA 100 CO 0.00 -0.49 -0.06 0.87 0.00 0.00 0.00 179.25 179.57 1h1o h LYS 101 N -0.05 -0.04 0.02 0.00 1.57 -1.94 0.31 116.57 116.44 1h1o h LYS 101 Ca 0.26 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.08 1h1o h LYS 101 Cb 0.46 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1h1o h LYS 101 CO -0.60 -0.03 -0.27 0.93 -0.57 0.00 0.00 179.45 178.91 1h1o h GLU 102 N -0.04 -0.41 -0.42 3.15 4.39 -1.56 -1.73 114.58 117.95 1h1o h GLU 102 Ca 0.08 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.81 1h1o h GLU 102 Cb 0.16 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1h1o h GLU 102 CO -0.18 -0.28 0.28 0.78 -1.16 0.00 0.00 179.01 178.46 1h1o h GLY 103 N -0.43 0.59 0.88 -3.84 0.00 -0.01 -1.75 103.07 98.52 1h1o h GLY 103 Ca 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1h1o h GLY 103 CO -0.22 0.21 0.05 1.70 0.00 0.00 0.00 176.54 178.28 1h1o h LYS 104 N 0.57 0.47 -0.79 4.80 3.64 0.37 0.26 116.57 125.89 1h1o h LYS 104 Ca 0.16 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1h1o h LYS 104 Cb -0.06 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 1h1o h LYS 104 CO -0.03 0.58 0.50 0.00 -2.27 0.00 0.00 179.45 178.22 1h1o h ALA 105 N 0.87 1.01 -0.01 5.00 0.00 -0.86 -0.69 119.26 124.57 1h1o h ALA 105 Ca 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1h1o h ALA 105 Cb 0.34 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1h1o h ALA 105 CO 0.01 0.45 0.00 0.82 0.00 0.00 0.00 179.25 180.53 1h1o h ILE 106 N 1.08 1.17 -0.33 0.00 2.04 -1.04 0.57 117.51 121.00 1h1o h ILE 106 Ca 0.29 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.66 1h1o h ILE 106 Cb -0.08 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1h1o h ILE 106 CO -0.06 0.13 0.19 0.15 0.00 0.00 0.00 178.15 178.56 1h1o h PHE 107 N -0.18 0.35 0.14 1.37 3.57 -0.14 0.29 116.94 122.33 1h1o h PHE 107 Ca 0.00 0.01 -0.32 0.00 3.53 0.00 0.00 57.97 61.20 1h1o h PHE 107 Cb 0.21 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1h1o h PHE 107 CO -0.00 0.20 -1.59 -0.91 -2.23 0.00 0.00 178.31 173.78 1h1o h ASN 108 N 0.39 0.45 0.00 0.41 2.35 -1.12 0.11 115.58 118.16 1h1o h ASN 108 Ca 0.13 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 1h1o h ASN 108 Cb 0.01 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1h1o h ASN 108 CO -0.07 1.53 -1.50 0.00 -1.65 0.00 0.00 177.43 175.74 1h1o n GLN 109 N -3.48 0.55 -0.05 0.81 6.02 0.19 -4.75 117.38 116.67 1h1o n GLN 109 Ca -0.19 -0.11 0.01 0.00 -0.01 0.00 0.00 57.00 56.70 1h1o n GLN 109 Cb 1.05 -1.28 -0.00 0.00 1.02 0.00 0.00 30.24 31.03 1h1o n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h1o n GLY 110 N 1.76 -1.47 2.62 1.08 0.00 0.10 -4.49 105.19 104.79 1h1o n GLY 110 Ca -0.02 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 1h1o n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h1o s VAL 111 N -0.10 0.32 0.10 1.61 1.01 -0.00 -4.55 120.40 118.79 1h1o s VAL 111 Ca 0.00 -0.99 -0.33 0.00 0.00 0.00 0.00 61.98 60.66 1h1o s VAL 111 Cb 0.00 -1.24 -0.14 0.00 0.00 0.00 0.00 36.38 35.00 1h1o s VAL 111 CO 0.00 -0.68 1.53 0.74 0.00 0.00 0.00 175.10 176.69 1h1o h THR 112 N 6.45 0.00 0.00 3.92 2.02 -1.84 -0.58 112.91 122.88 1h1o h THR 112 Ca -0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1h1o h THR 112 Cb 1.02 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1h1o h THR 112 CO 0.44 0.00 0.00 -0.55 0.37 0.00 0.00 175.52 175.78 1h1o h ASN 113 N -0.69 0.00 -0.03 4.18 -0.00 -1.97 0.19 115.58 117.26 1h1o h ASN 113 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1h1o h ASN 113 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.03 1h1o h ASN 113 CO -0.31 0.00 -0.01 -0.62 -0.00 0.00 0.00 177.43 176.49 1h1o n GLU 114 N -2.51 2.17 -3.75 4.14 1.02 -0.94 -4.96 120.64 115.80 1h1o n GLU 114 Ca -0.01 -1.85 -0.27 0.00 -0.02 0.00 0.00 57.16 55.01 1h1o n GLU 114 Cb 0.10 -1.44 0.05 0.00 -0.02 0.00 0.00 31.44 30.13 1h1o n GLU 114 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1h1o n GLN 115 N 1.27 -6.52 -3.55 3.49 6.02 0.67 -4.81 117.38 113.95 1h1o n GLN 115 Ca 0.13 0.70 -0.40 0.00 -0.01 0.00 0.00 57.00 57.43 1h1o n GLN 115 Cb 0.57 -5.65 -0.11 0.00 1.02 0.00 0.00 30.24 26.08 1h1o n GLN 115 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1h1o s ILE 116 N -3.34 5.17 0.63 5.09 1.01 -0.34 -4.82 121.20 124.61 1h1o s ILE 116 Ca 0.56 -0.23 -0.18 0.00 0.00 0.00 0.00 60.65 60.80 1h1o s ILE 116 Cb -0.27 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 1h1o s ILE 116 CO 0.79 0.02 1.24 -2.84 0.00 0.00 0.00 174.94 174.15 1h1o s PRO 117 N 1.71 2.71 -0.44 2.79 0.02 -1.26 -0.82 135.00 139.71 1h1o s PRO 117 Ca 0.06 1.92 -0.28 0.00 0.02 0.00 0.00 61.00 62.71 1h1o s PRO 117 Cb -0.17 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.47 1h1o s PRO 117 CO 0.10 -1.43 1.47 0.00 -0.33 0.00 0.00 177.00 176.81 1h1o s ALA 118 N -1.55 2.95 0.31 -1.55 0.00 -1.26 -4.42 121.76 116.24 1h1o s ALA 118 Ca 0.79 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.60 1h1o s ALA 118 Cb -0.33 -3.99 0.79 0.00 0.00 0.00 0.00 23.12 19.59 1h1o s ALA 118 CO 0.37 -2.57 1.75 0.00 0.00 0.00 0.00 175.76 175.31 1h1o h MET 120 N 0.68 0.00 -0.10 0.00 -0.00 -1.09 -1.22 114.93 113.19 1h1o h MET 120 Ca 0.60 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 60.33 1h1o h MET 120 Cb 1.03 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.62 1h1o h MET 120 CO -0.42 0.00 0.10 0.93 -0.00 0.00 0.00 176.91 177.51 1h1o h GLU 121 N 0.00 0.00 0.00 -0.10 5.08 -1.71 0.59 114.58 118.45 1h1o h GLU 121 Ca 0.08 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 1h1o h GLU 121 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1h1o h GLU 121 CO -0.00 0.00 -1.36 0.00 -1.00 0.00 0.00 179.01 176.65 1h1o n HIS 123 N -2.46 0.24 0.00 0.00 8.25 -0.56 -4.56 115.22 116.14 1h1o n HIS 123 Ca -0.10 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1h1o n HIS 123 Cb 0.64 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 1h1o n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h1o n GLY 124 N 1.09 -1.84 0.50 -1.41 0.00 0.20 0.29 105.19 104.01 1h1o n GLY 124 Ca 0.15 -1.52 0.39 0.00 0.00 0.00 0.00 46.02 45.04 1h1o n GLY 124 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1h1o h SER 125 N 0.00 0.20 -0.50 1.61 0.87 -1.96 -2.42 113.55 111.35 1h1o h SER 125 Ca 0.00 0.12 -0.25 0.00 -1.23 0.00 0.00 61.79 60.43 1h1o h SER 125 Cb 0.00 0.12 -0.40 0.00 -0.44 0.00 0.00 62.40 61.68 1h1o h SER 125 CO 0.00 -0.17 -1.12 -0.67 -0.53 0.00 0.00 176.83 174.34 1h1o n ASP 126 N -4.60 1.52 -0.97 6.23 -0.08 -1.26 -4.94 116.55 112.44 1h1o n ASP 126 Ca 0.38 -2.11 -0.13 0.00 -1.51 0.00 0.00 54.79 51.43 1h1o n ASP 126 Cb 1.52 -0.47 -0.05 0.00 2.34 0.00 0.00 41.12 44.46 1h1o n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1h1o n GLY 127 N -0.54 1.34 0.21 0.27 0.00 -0.91 -4.49 105.19 101.07 1h1o n GLY 127 Ca 0.07 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.78 1h1o n GLY 127 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1h1o h GLN 128 N 0.00 0.00 0.00 1.61 -0.00 -1.53 0.68 115.11 115.87 1h1o h GLN 128 Ca -0.26 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.40 1h1o h GLN 128 Cb 0.83 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.31 1h1o h GLN 128 CO 0.38 0.00 -0.01 0.41 -0.00 0.00 0.00 178.83 179.61 1h1o n GLY 129 N 0.88 -1.33 3.50 0.06 0.00 0.15 -3.87 105.19 104.57 1h1o n GLY 129 Ca 0.03 -1.14 0.02 0.00 0.00 0.00 0.00 46.02 44.93 1h1o n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h1o s ALA 130 N -1.67 -2.76 0.00 4.61 0.00 0.36 -4.73 121.76 117.57 1h1o s ALA 130 Ca 0.00 1.98 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1h1o s ALA 130 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1h1o s ALA 130 CO 0.00 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1h1o n GLY 131 N 3.81 3.27 0.07 0.00 0.00 -1.26 -0.06 105.19 111.03 1h1o n GLY 131 Ca -0.14 0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1h1o n GLY 131 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h1o n PRO 132 N 14.00 0.10 -3.23 1.61 -0.04 -1.26 -3.26 135.00 142.92 1h1o n PRO 132 Ca 0.00 0.37 -0.43 0.00 -0.04 0.00 0.00 63.50 63.40 1h1o n PRO 132 Cb 0.00 -1.70 -0.07 0.00 -0.04 0.00 0.00 33.50 31.69 1h1o n PRO 132 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1h1o s PHE 133 N -3.18 3.11 0.56 0.54 0.40 0.92 -4.79 117.98 115.54 1h1o s PHE 133 Ca 0.05 -0.40 -0.21 0.00 -0.60 0.00 0.00 56.93 55.77 1h1o s PHE 133 Cb 0.08 -3.21 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 1h1o s PHE 133 CO 0.30 -0.85 1.28 -1.25 0.70 0.00 0.00 175.22 175.40 1h1o s PRO 134 N 2.40 3.12 0.32 0.24 0.04 -1.26 0.14 135.00 140.00 1h1o s PRO 134 Ca 0.15 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.94 1h1o s PRO 134 Cb -0.18 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 1h1o s PRO 134 CO 0.14 -1.14 1.15 0.50 0.04 0.00 0.00 177.00 177.68 1h1o s ARG 135 N -3.03 4.46 -0.00 4.56 3.52 -1.25 -4.04 118.95 123.16 1h1o s ARG 135 Ca 0.73 1.87 0.00 0.00 -0.13 0.00 0.00 55.73 58.20 1h1o s ARG 135 Cb -0.36 -3.04 -0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1h1o s ARG 135 CO 0.41 0.03 0.00 1.28 -0.81 0.00 0.00 175.30 176.21 1h1o n LEU 136 N 0.86 0.00 -4.65 -0.88 4.77 0.21 -4.89 117.00 112.42 1h1o n LEU 136 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1h1o n LEU 136 Cb 0.45 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1h1o n LEU 136 CO 0.54 0.00 1.63 0.00 -1.33 0.00 0.00 177.39 178.22 1h1o s ALA 137 N -2.01 3.39 0.00 -1.18 0.00 0.29 -1.54 121.76 120.71 1h1o s ALA 137 Ca -0.00 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1h1o s ALA 137 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1h1o s ALA 137 CO 0.01 -1.84 0.00 0.41 0.00 0.00 0.00 175.76 174.34 1h1o n GLY 138 N 4.77 0.87 3.75 0.00 0.00 0.68 -4.76 105.19 110.50 1h1o n GLY 138 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1h1o n GLY 138 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1h1o s GLN 139 N -0.68 2.49 0.43 1.61 2.00 -0.59 -3.76 119.66 121.15 1h1o s GLN 139 Ca 0.00 1.48 -0.25 0.00 -2.00 0.00 0.00 55.36 54.59 1h1o s GLN 139 Cb 0.00 -1.90 -0.08 0.00 0.80 0.00 0.00 33.01 31.82 1h1o s GLN 139 CO 0.00 -1.51 1.29 1.03 -0.50 0.00 0.00 175.29 175.60 1h1o s ARG 140 N -4.13 3.86 0.09 1.67 0.52 -1.26 -3.76 118.95 115.94 1h1o s ARG 140 Ca 0.69 2.11 -0.31 0.00 -0.52 0.00 0.00 55.73 57.70 1h1o s ARG 140 Cb -0.23 -2.66 -0.15 0.00 0.52 0.00 0.00 34.95 32.43 1h1o s ARG 140 CO 0.44 -0.57 1.63 -0.92 0.02 0.00 0.00 175.30 175.90 1h1o h TYR 141 N 2.48 -0.82 -0.79 -0.53 3.20 -1.86 -1.61 116.97 117.05 1h1o h TYR 141 Ca -0.50 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.35 1h1o h TYR 141 Cb 1.25 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.79 1h1o h TYR 141 CO 0.52 -0.46 0.40 0.78 -1.64 0.00 0.00 178.16 177.76 1h1o h GLY 142 N -0.73 1.19 0.98 1.82 0.00 -1.93 -2.10 103.07 102.31 1h1o h GLY 142 Ca -0.04 -0.57 0.01 0.00 0.00 0.00 0.00 47.33 46.73 1h1o h GLY 142 CO 0.02 0.54 0.40 -1.82 0.00 0.00 0.00 176.54 175.67 1h1o h TYR 143 N 1.11 0.75 0.13 5.60 3.20 -1.03 0.24 116.97 126.98 1h1o h TYR 143 Ca 0.27 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 1h1o h TYR 143 Cb 0.08 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.10 1h1o h TYR 143 CO 0.01 0.47 -0.06 0.82 -1.64 0.00 0.00 178.16 177.75 1h1o h ILE 144 N 0.81 0.91 -0.82 1.81 2.04 -0.91 -0.31 117.51 121.03 1h1o h ILE 144 Ca 0.23 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 66.01 1h1o h ILE 144 Cb -0.08 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 1h1o h ILE 144 CO -0.06 0.04 0.49 0.40 0.00 0.00 0.00 178.15 179.02 1h1o h ILE 145 N -0.25 0.98 -0.65 -0.67 2.04 -1.08 0.83 117.51 118.71 1h1o h ILE 145 Ca -0.02 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1h1o h ILE 145 Cb 0.20 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 1h1o h ILE 145 CO 0.03 0.16 0.24 -0.61 0.00 0.00 0.00 178.15 177.97 1h1o h GLN 146 N 0.86 0.98 -0.24 2.37 5.75 -0.20 -0.21 115.11 124.42 1h1o h GLN 146 Ca 0.38 -0.19 -0.17 0.00 -0.15 0.00 0.00 58.65 58.52 1h1o h GLN 146 Cb 0.25 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.65 1h1o h GLN 146 CO -0.20 0.83 -0.52 1.96 -2.65 0.00 0.00 178.83 178.25 1h1o h GLN 147 N 0.92 0.70 -0.35 1.69 1.08 -0.19 -0.98 115.11 117.97 1h1o h GLN 147 Ca 0.21 -0.43 -0.05 0.00 -1.45 0.00 0.00 58.65 56.94 1h1o h GLN 147 Cb 0.23 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1h1o h GLN 147 CO -0.01 1.05 0.00 -0.07 -0.95 0.00 0.00 178.83 178.84 1h1o h LEU 148 N 0.54 0.51 -0.33 1.46 3.38 -0.60 0.11 115.31 120.39 1h1o h LEU 148 Ca 0.02 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1h1o h LEU 148 Cb 1.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1h1o h LEU 148 CO 0.11 0.58 0.04 0.74 0.09 0.00 0.00 178.44 180.00 1h1o h THR 149 N 0.53 1.24 -0.61 0.22 2.02 -0.73 0.17 112.91 115.74 1h1o h THR 149 Ca 0.11 -0.86 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 1h1o h THR 149 Cb 0.34 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1h1o h THR 149 CO 0.01 0.28 0.18 1.88 0.37 0.00 0.00 175.52 178.24 1h1o h TYR 150 N 0.38 0.95 -0.22 3.16 0.99 -0.45 0.62 116.97 122.39 1h1o h TYR 150 Ca 0.10 -0.08 -0.15 0.00 2.00 0.00 0.00 58.73 60.60 1h1o h TYR 150 Cb 0.37 -0.28 0.00 0.00 1.00 0.00 0.00 36.73 37.83 1h1o h TYR 150 CO 0.03 0.77 -0.44 0.74 -0.00 0.00 0.00 178.16 179.26 1h1o h PHE 151 N 0.89 0.87 -0.45 4.88 0.04 -0.62 0.25 116.94 122.81 1h1o h PHE 151 Ca 0.20 -0.32 -0.11 0.00 2.80 0.00 0.00 57.97 60.54 1h1o h PHE 151 Cb 0.28 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1h1o h PHE 151 CO 0.02 1.09 -0.16 1.25 -0.60 0.00 0.00 178.31 179.92 1h1o h HIS 152 N 0.40 0.96 -0.25 -0.55 2.76 -0.40 -2.87 115.15 115.21 1h1o h HIS 152 Ca 0.01 -0.20 -0.14 0.00 -2.20 0.00 0.00 60.37 57.84 1h1o h HIS 152 Cb 1.04 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 1h1o h HIS 152 CO 0.09 0.95 -0.41 -0.91 -1.30 0.00 0.00 177.93 176.34 1h1o h ASN 153 N 0.76 0.63 0.00 3.26 -0.26 0.33 -3.46 115.58 116.84 1h1o h ASN 153 Ca 0.12 -0.28 0.00 0.00 -0.56 0.00 0.00 56.30 55.57 1h1o h ASN 153 Cb 0.68 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 1h1o h ASN 153 CO 0.05 0.96 0.00 0.61 -1.06 0.00 0.00 177.43 177.99 1h1o n GLY 154 N 0.01 0.61 0.17 2.83 0.00 0.74 -4.93 105.19 104.63 1h1o n GLY 154 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1h1o n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1h1o h THR 155 N 0.00 0.98 -3.58 2.61 1.35 -1.42 -3.34 112.91 109.51 1h1o h THR 155 Ca 0.00 -1.71 -0.71 0.00 -0.55 0.00 0.00 66.41 63.44 1h1o h THR 155 Cb 0.00 2.03 -0.25 0.00 -1.73 0.00 0.00 68.15 68.20 1h1o h THR 155 CO 0.00 0.43 -0.51 -0.60 -0.25 0.00 0.00 175.52 174.58 1h1o s ARG 156 N -3.53 2.81 -0.24 4.72 3.52 -0.69 -2.92 118.95 122.62 1h1o s ARG 156 Ca 0.00 -1.09 -0.24 0.00 -0.13 0.00 0.00 55.73 54.27 1h1o s ARG 156 Cb 0.11 -3.74 -0.01 0.00 -1.56 0.00 0.00 34.95 29.76 1h1o s ARG 156 CO 0.71 -0.71 0.80 0.08 -0.81 0.00 0.00 175.30 175.37 1h1o s VAL 157 N 1.55 4.86 -0.30 7.11 1.01 -1.26 -4.35 120.40 129.02 1h1o s VAL 157 Ca 0.02 1.52 -0.07 0.00 0.00 0.00 0.00 61.98 63.45 1h1o s VAL 157 Cb -0.19 -4.09 0.17 0.00 0.00 0.00 0.00 36.38 32.26 1h1o s VAL 157 CO 0.07 -0.06 0.70 0.21 0.00 0.00 0.00 175.10 176.02 1h1o s ASN 158 N 1.35 -1.14 0.19 3.32 3.84 -1.26 -4.94 114.94 116.30 1h1o s ASN 158 Ca 0.34 1.05 -0.16 0.00 0.21 0.00 0.00 52.86 54.31 1h1o s ASN 158 Cb -0.15 2.09 0.17 0.00 -0.55 0.00 0.00 41.25 42.81 1h1o s ASN 158 CO 0.08 -0.22 1.63 0.74 -2.79 0.00 0.00 177.10 176.54 1h1o h THR 159 N 5.89 0.41 0.78 -5.21 2.02 -1.98 0.58 112.91 115.41 1h1o h THR 159 Ca -0.20 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1h1o h THR 159 Cb 1.14 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1h1o h THR 159 CO 0.15 0.00 -0.46 -0.07 0.37 0.00 0.00 175.52 175.51 1h1o h LEU 160 N -0.04 -1.16 -0.94 2.58 4.07 -1.99 -2.07 115.31 115.77 1h1o h LEU 160 Ca 0.25 0.06 -0.11 0.00 0.08 0.00 0.00 57.88 58.16 1h1o h LEU 160 Cb 0.43 0.33 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 1h1o h LEU 160 CO -0.57 -0.72 -0.49 0.24 -1.08 0.00 0.00 178.44 175.82 1h1o h MET 161 N -1.16 0.09 -0.83 1.13 2.86 -1.94 0.72 114.93 115.81 1h1o h MET 161 Ca -0.11 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1h1o h MET 161 Cb 0.92 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.55 1h1o h MET 161 CO 0.12 0.57 0.37 -0.91 1.06 0.00 0.00 176.91 178.11 1h1o h ASN 162 N 0.08 1.11 -0.11 1.22 2.35 0.18 0.22 115.58 120.62 1h1o h ASN 162 Ca 0.00 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.54 1h1o h ASN 162 Cb 0.90 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 1h1o h ASN 162 CO 0.07 0.95 -0.18 1.56 -1.65 0.00 0.00 177.43 178.18 1h1o h GLN 163 N 1.19 0.32 -0.77 0.81 1.08 -1.02 -2.87 115.11 113.86 1h1o h GLN 163 Ca 0.28 -0.19 0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1h1o h GLN 163 Cb 0.16 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.57 1h1o h GLN 163 CO -0.03 0.77 0.51 0.82 -0.95 0.00 0.00 178.83 179.95 1h1o h ILE 164 N -0.10 1.19 -0.00 2.54 5.03 -0.58 -2.72 117.51 122.87 1h1o h ILE 164 Ca 0.01 -0.35 0.00 0.00 -0.12 0.00 0.00 64.86 64.40 1h1o h ILE 164 Cb 0.75 0.07 0.00 0.00 -3.03 0.00 0.00 36.82 34.60 1h1o h ILE 164 CO 0.04 0.19 -0.19 0.00 -0.68 0.00 0.00 178.15 177.51 1h1o n ALA 165 N -2.42 2.83 -0.31 1.87 0.00 0.74 -4.31 120.51 118.91 1h1o n ALA 165 Ca 0.09 -0.22 0.12 0.00 0.00 0.00 0.00 53.44 53.42 1h1o n ALA 165 Cb 0.04 -1.32 0.26 0.00 0.00 0.00 0.00 19.45 18.42 1h1o n ALA 165 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1h1o h LYS 166 N 0.14 0.07 -0.03 0.00 3.64 -1.24 -1.88 116.57 117.27 1h1o h LYS 166 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1h1o h LYS 166 Cb 0.46 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1h1o h LYS 166 CO 0.00 0.05 0.00 0.09 -2.27 0.00 0.00 179.45 177.32 1h1o n ASN 167 N -5.39 2.83 -4.71 4.20 5.03 -1.26 -4.95 115.26 111.00 1h1o n ASN 167 Ca 0.20 -1.91 -0.42 0.00 0.87 0.00 0.00 54.58 53.32 1h1o n ASN 167 Cb 0.67 -0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.40 1h1o n ASN 167 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1h1o s ILE 168 N -1.81 3.89 0.54 2.41 1.01 -0.71 -4.98 121.20 121.55 1h1o s ILE 168 Ca 0.26 1.34 -0.04 0.00 0.00 0.00 0.00 60.65 62.21 1h1o s ILE 168 Cb 0.18 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.80 1h1o s ILE 168 CO 0.27 0.08 0.82 0.42 0.00 0.00 0.00 174.94 176.54 1h1o s THR 169 N 1.35 3.73 0.24 2.92 -4.23 -1.26 -4.91 115.64 113.48 1h1o s THR 169 Ca 0.60 -0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 60.87 1h1o s THR 169 Cb -0.30 -3.45 0.21 0.00 1.34 0.00 0.00 72.50 70.30 1h1o s THR 169 CO 0.28 -0.41 1.87 0.58 -0.54 0.00 0.00 174.62 176.40 1h1o h VAL 170 N 0.01 1.10 -0.41 2.29 2.07 -1.99 0.09 116.25 119.41 1h1o h VAL 170 Ca -0.46 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1h1o h VAL 170 Cb 1.26 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1h1o h VAL 170 CO 0.59 0.19 0.21 0.00 0.02 0.00 0.00 177.57 178.58 1h1o h ALA 171 N 1.37 0.52 -0.28 1.67 0.00 -2.00 -1.83 119.26 118.71 1h1o h ALA 171 Ca 0.35 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 1h1o h ALA 171 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1h1o h ALA 171 CO -0.14 -0.15 -0.38 1.96 0.00 0.00 0.00 179.25 180.55 1h1o h GLN 172 N 0.42 0.63 -0.86 0.00 4.20 -1.80 -2.53 115.11 115.17 1h1o h GLN 172 Ca 0.18 -0.31 0.10 0.00 0.06 0.00 0.00 58.65 58.67 1h1o h GLN 172 Cb 0.08 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.79 1h1o h GLN 172 CO -0.12 0.91 0.51 0.52 -0.67 0.00 0.00 178.83 179.97 1h1o h MET 173 N 0.52 0.82 -0.69 1.46 2.86 -0.53 0.10 114.93 119.48 1h1o h MET 173 Ca 0.05 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1h1o h MET 173 Cb 0.89 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 1h1o h MET 173 CO 0.08 0.55 0.20 0.87 1.06 0.00 0.00 176.91 179.66 1h1o h LYS 174 N 0.85 1.09 0.21 1.72 1.57 -1.03 0.26 116.57 121.24 1h1o h LYS 174 Ca 0.41 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1h1o h LYS 174 Cb 0.36 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1h1o h LYS 174 CO -0.24 0.95 -0.10 -0.44 -0.57 0.00 0.00 179.45 179.05 1h1o h ASP 175 N 1.03 -0.24 -0.87 0.86 3.32 -0.79 0.39 116.42 120.11 1h1o h ASP 175 Ca 0.22 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.10 1h1o h ASP 175 Cb 0.33 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1h1o h ASP 175 CO -0.00 0.08 0.57 0.58 -1.72 0.00 0.00 179.24 178.75 1h1o h VAL 176 N -0.59 1.16 -0.11 -1.35 2.07 -0.83 0.19 116.25 116.79 1h1o h VAL 176 Ca -0.03 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1h1o h VAL 176 Cb 0.43 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1h1o h VAL 176 CO 0.05 0.20 0.04 0.00 0.02 0.00 0.00 177.57 177.88 1h1o h ALA 177 N 1.48 0.15 0.04 1.67 0.00 -0.72 0.26 119.26 122.14 1h1o h ALA 177 Ca 0.34 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1h1o h ALA 177 Cb -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1h1o h ALA 177 CO -0.10 -0.23 -0.30 0.00 0.00 0.00 0.00 179.25 178.62 1h1o h ALA 178 N 0.85 -0.45 0.37 0.00 0.00 0.45 0.31 119.26 120.78 1h1o h ALA 178 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1h1o h ALA 178 Cb 0.22 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1h1o h ALA 178 CO -0.00 -0.82 -0.49 -0.92 0.00 0.00 0.00 179.25 177.02 1h1o h TYR 179 N -0.47 -1.37 -0.79 0.00 5.03 -0.83 -2.52 116.97 116.02 1h1o h TYR 179 Ca 0.05 0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.47 1h1o h TYR 179 Cb 0.54 0.55 -0.07 0.00 1.55 0.00 0.00 36.73 39.29 1h1o h TYR 179 CO -0.31 -0.63 0.44 -0.07 -1.32 0.00 0.00 178.16 176.27 1h1o h LEU 180 N -0.89 0.62 -0.09 2.82 4.07 -0.74 -1.33 115.31 119.76 1h1o h LEU 180 Ca -0.04 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1h1o h LEU 180 Cb 0.81 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1h1o h LEU 180 CO -0.13 0.36 0.00 -1.54 -1.08 0.00 0.00 178.44 176.04 1h1o n SER 181 N -4.77 0.12 -0.00 -0.43 3.41 0.08 -0.23 113.62 111.80 1h1o n SER 181 Ca 0.13 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1h1o n SER 181 Cb 0.27 -0.55 0.20 0.00 -0.26 0.00 0.00 64.21 63.86 1h1o n SER 181 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1h1o n SER 182 N -1.63 0.58 -0.17 4.04 3.41 -0.51 -3.75 113.62 115.60 1h1o n SER 182 Ca 0.04 -0.37 0.15 0.00 -0.26 0.00 0.00 58.87 58.44 1h1o n SER 182 Cb 0.22 0.35 0.80 0.00 -0.26 0.00 0.00 64.21 65.33 1h1o n SER 182 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06