#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oy2 n GLN 18 N 0.00 -3.05 -3.87 1.61 6.02 -1.26 -4.93 117.38 111.91 1oy2 n GLN 18 Ca 0.00 2.47 -0.28 0.00 -0.01 0.00 0.00 57.00 59.18 1oy2 n GLN 18 Cb 0.00 -3.42 -0.17 0.00 1.02 0.00 0.00 30.24 27.67 1oy2 n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1oy2 s LEU 19 N -6.50 1.47 0.00 1.08 2.01 -1.26 -5.08 118.68 110.40 1oy2 s LEU 19 Ca 0.00 -0.61 0.00 0.00 0.01 0.00 0.00 54.13 53.53 1oy2 s LEU 19 Cb 0.00 -0.84 0.00 0.00 0.01 0.00 0.00 46.19 45.36 1oy2 s LEU 19 CO 0.00 -0.19 0.00 0.61 1.01 0.00 0.00 176.35 177.78 1oy2 n GLY 20 N 4.92 -0.23 2.43 -3.19 0.00 -1.26 -5.11 105.19 102.75 1oy2 n GLY 20 Ca -0.11 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 1oy2 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oy2 n GLY 21 N -0.07 2.83 1.85 -0.02 0.00 -1.26 -5.08 105.19 103.44 1oy2 n GLY 21 Ca 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 46.02 44.29 1oy2 n GLY 21 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1oy2 n GLU 22 N -0.45 0.64 -0.95 1.61 0.00 -1.26 -4.97 120.64 115.26 1oy2 n GLU 22 Ca 0.03 -0.76 -0.10 0.00 0.00 0.00 0.00 57.16 56.33 1oy2 n GLU 22 Cb 0.44 0.35 0.22 0.00 0.00 0.00 0.00 31.44 32.45 1oy2 n GLU 22 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1oy2 n GLU 23 N -0.73 2.40 -3.74 5.31 1.02 -1.26 -4.99 120.64 118.65 1oy2 n GLU 23 Ca -0.14 -3.08 -0.20 0.00 -0.02 0.00 0.00 57.16 53.72 1oy2 n GLU 23 Cb 0.69 -2.01 -0.02 0.00 -0.02 0.00 0.00 31.44 30.08 1oy2 n GLU 23 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1oy2 s TRP 24 N -3.18 3.08 -0.43 -0.32 0.51 -1.26 -5.07 118.94 112.27 1oy2 s TRP 24 Ca 0.50 -0.21 0.08 0.00 -2.12 0.00 0.00 56.10 54.36 1oy2 s TRP 24 Cb 0.43 -1.79 0.33 0.00 -0.81 0.00 0.00 33.47 31.63 1oy2 s TRP 24 CO 0.07 0.19 0.96 0.25 -0.51 0.00 0.00 176.95 177.91 1oy2 n THR 25 N -1.45 -0.07 -2.06 2.01 -2.24 -1.26 -4.94 114.28 104.27 1oy2 n THR 25 Ca -0.03 -2.63 0.05 0.00 -2.27 0.00 0.00 64.05 59.16 1oy2 n THR 25 Cb 0.58 0.82 0.09 0.00 -2.10 0.00 0.00 70.33 69.72 1oy2 n THR 25 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1oy2 n ARG 26 N 0.39 0.62 -3.51 -0.78 0.63 -1.26 -5.08 116.66 107.67 1oy2 n ARG 26 Ca 0.13 -2.39 -0.19 0.00 -0.92 0.00 0.00 57.85 54.48 1oy2 n ARG 26 Cb 0.68 -0.69 -0.01 0.00 0.45 0.00 0.00 32.46 32.89 1oy2 n ARG 26 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1oy2 s HIS 27 N -1.28 3.08 1.07 -0.14 3.76 -1.26 -5.12 115.29 115.40 1oy2 s HIS 27 Ca 0.32 -0.23 -0.18 0.00 -0.15 0.00 0.00 55.06 54.82 1oy2 s HIS 27 Cb 0.34 -1.97 0.26 0.00 1.11 0.00 0.00 32.58 32.32 1oy2 s HIS 27 CO -0.11 0.01 1.20 0.41 -0.85 0.00 0.00 174.74 175.40 1oy2 n GLY 28 N -1.61 -2.08 0.00 -2.22 0.00 -1.26 -5.09 105.19 92.94 1oy2 n GLY 28 Ca -0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1oy2 n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1oy2 n SER 29 N -4.30 0.00 -4.43 1.61 7.64 -1.26 -5.08 113.62 107.80 1oy2 n SER 29 Ca 0.16 -0.35 -0.29 0.00 1.01 0.00 0.00 58.87 59.40 1oy2 n SER 29 Cb 0.57 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.95 1oy2 n SER 29 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1oy2 s PHE 30 N 0.30 1.75 0.12 1.43 0.40 -1.26 -4.96 117.98 115.77 1oy2 s PHE 30 Ca 0.00 0.75 -0.32 0.00 -0.60 0.00 0.00 56.93 56.76 1oy2 s PHE 30 Cb 0.00 -3.43 -0.10 0.00 0.51 0.00 0.00 43.02 40.00 1oy2 s PHE 30 CO 0.00 -2.99 1.57 -0.39 0.70 0.00 0.00 175.22 174.10 1oy2 h VAL 31 N -1.95 0.06 0.00 -0.44 -1.51 -2.05 -3.43 116.25 106.92 1oy2 h VAL 31 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1oy2 h VAL 31 Cb 1.31 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 1oy2 h VAL 31 CO 0.51 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.39 1oy2 n ASN 32 N -5.45 0.00 -3.74 4.19 6.94 -1.26 -5.17 115.26 110.77 1oy2 n ASN 32 Ca -0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.38 1oy2 n ASN 32 Cb 0.38 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.69 1oy2 n ASN 32 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1oy2 s LYS 33 N 0.00 0.38 0.85 -3.83 1.02 -1.26 -5.17 119.74 111.73 1oy2 s LYS 33 Ca 0.00 0.53 -0.12 0.00 0.02 0.00 0.00 55.97 56.39 1oy2 s LYS 33 Cb 0.00 0.13 0.11 0.00 -0.52 0.00 0.00 37.83 37.55 1oy2 s LYS 33 CO 0.00 -0.08 1.17 -1.25 -0.92 0.00 0.00 175.35 174.28 1oy2 s PRO 34 N 0.47 1.59 0.09 -1.68 0.04 -1.26 -4.95 135.00 129.30 1oy2 s PRO 34 Ca -0.02 0.14 -0.27 0.00 0.04 0.00 0.00 61.00 60.89 1oy2 s PRO 34 Cb -0.04 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.68 1oy2 s PRO 34 CO -0.02 -1.86 1.00 -0.08 0.04 0.00 0.00 177.00 176.08 1oy2 s THR 35 N -3.49 0.00 -0.05 1.26 -1.32 -1.26 -5.17 115.64 105.61 1oy2 s THR 35 Ca 0.63 -0.46 -0.02 0.00 -1.21 0.00 0.00 61.69 60.64 1oy2 s THR 35 Cb -0.12 -1.78 0.04 0.00 -1.51 0.00 0.00 72.50 69.12 1oy2 s THR 35 CO 0.51 0.00 0.10 0.00 -2.21 0.00 0.00 174.62 173.01 1oy2 s ARG 36 N -3.10 0.03 0.00 7.08 1.04 -1.26 -4.65 118.95 118.08 1oy2 s ARG 36 Ca 0.11 0.31 0.00 0.00 -1.04 0.00 0.00 55.73 55.11 1oy2 s ARG 36 Cb -0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 34.95 32.68 1oy2 s ARG 36 CO -0.01 -0.18 0.00 0.41 -0.04 0.00 0.00 175.30 175.48 1oy2 n GLY 37 N 4.32 5.25 3.76 3.88 0.00 0.93 -4.34 105.19 118.99 1oy2 n GLY 37 Ca -0.25 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1oy2 n GLY 37 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1oy2 s TRP 38 N 3.15 2.84 0.00 1.61 -0.11 -1.21 0.52 118.94 125.74 1oy2 s TRP 38 Ca 0.00 1.02 0.00 0.00 1.22 0.00 0.00 56.10 58.34 1oy2 s TRP 38 Cb 0.00 -3.93 0.00 0.00 -1.50 0.00 0.00 33.47 28.04 1oy2 s TRP 38 CO 0.00 -2.96 0.00 -0.11 -4.62 0.00 0.00 176.95 169.26 1oy2 n LEU 39 N 1.68 0.00 0.00 5.86 7.94 -1.25 -4.00 117.00 127.23 1oy2 n LEU 39 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1oy2 n LEU 39 Cb 0.39 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.34 1oy2 n LEU 39 CO 0.62 0.00 0.00 1.41 -1.11 0.00 0.00 177.39 178.31 1oy2 n HIS 40 N 0.00 0.00 -2.23 1.96 8.25 -1.24 -4.76 115.22 117.20 1oy2 n HIS 40 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 1oy2 n HIS 40 Cb 0.00 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.19 1oy2 n HIS 40 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1oy2 n PRO 41 N -0.81 -0.06 -0.01 -0.41 -0.04 -1.26 -0.05 135.00 132.37 1oy2 n PRO 41 Ca 0.00 -1.51 -0.17 0.00 -0.04 0.00 0.00 63.50 61.78 1oy2 n PRO 41 Cb 0.00 -0.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.82 1oy2 n PRO 41 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1oy2 n ASN 42 N -3.09 1.68 0.28 3.54 4.13 -1.26 -2.86 115.26 117.68 1oy2 n ASN 42 Ca 0.10 0.26 0.13 0.00 1.68 0.00 0.00 54.58 56.75 1oy2 n ASN 42 Cb 0.35 -0.56 0.80 0.00 -1.54 0.00 0.00 39.78 38.83 1oy2 n ASN 42 CO 0.00 0.00 0.00 -0.78 0.28 0.00 0.00 177.26 176.76 1oy2 h ASP 43 N 0.05 0.00 -0.04 6.41 1.82 -1.96 -2.06 116.42 120.64 1oy2 h ASP 43 Ca -0.39 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.27 1oy2 h ASP 43 Cb 2.03 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 42.04 1oy2 h ASP 43 CO 0.08 0.06 0.03 0.50 -1.61 0.00 0.00 179.24 178.31 1oy2 h LYS 44 N 0.00 0.00 0.06 0.28 1.63 -1.90 0.21 116.57 116.84 1oy2 h LYS 44 Ca -0.00 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.42 1oy2 h LYS 44 Cb 0.16 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.75 1oy2 h LYS 44 CO 0.01 0.00 -2.26 1.33 -3.45 0.00 0.00 179.45 175.08 1oy2 n VAL 45 N -4.22 1.62 1.82 2.00 0.24 -0.80 0.18 118.33 119.17 1oy2 n VAL 45 Ca -0.02 -0.61 0.13 0.00 -2.04 0.00 0.00 64.34 61.80 1oy2 n VAL 45 Cb 0.13 -1.56 0.78 0.00 -1.47 0.00 0.00 33.84 31.71 1oy2 n VAL 45 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1oy2 n MET 46 N -3.36 0.91 0.00 7.34 2.81 -1.06 -3.46 117.12 120.29 1oy2 n MET 46 Ca -0.40 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.49 1oy2 n MET 46 Cb 1.02 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 1oy2 n MET 46 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1oy2 n GLY 47 N 0.78 -0.03 0.11 3.03 0.00 0.04 -4.97 105.19 104.14 1oy2 n GLY 47 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 1oy2 n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oy2 h PRO 48 N 0.00 0.23 -1.37 1.61 0.13 -1.67 -3.51 132.00 127.43 1oy2 h PRO 48 Ca 0.00 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1oy2 h PRO 48 Cb 0.00 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.28 1oy2 h PRO 48 CO 0.00 1.08 -0.33 0.41 -0.23 0.00 0.00 178.00 178.92 1oy2 n GLY 49 N 1.69 -3.63 3.61 1.56 0.00 0.47 -4.84 105.19 104.05 1oy2 n GLY 49 Ca -0.18 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1oy2 n GLY 49 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1oy2 s VAL 50 N -2.39 4.49 -0.07 1.61 -7.23 -0.87 -4.86 120.40 111.09 1oy2 s VAL 50 Ca 0.00 1.37 0.02 0.00 -1.81 0.00 0.00 61.98 61.56 1oy2 s VAL 50 Cb 0.00 -4.41 0.01 0.00 0.56 0.00 0.00 36.38 32.54 1oy2 s VAL 50 CO 0.00 -0.61 -0.12 -0.94 -0.31 0.00 0.00 175.10 173.11 1oy2 s SER 51 N 1.92 1.79 0.36 4.85 1.04 -1.26 -0.27 113.70 122.13 1oy2 s SER 51 Ca 0.42 -0.30 -0.07 0.00 0.48 0.00 0.00 55.95 56.48 1oy2 s SER 51 Cb -0.11 -0.83 0.02 0.00 0.10 0.00 0.00 66.02 65.20 1oy2 s SER 51 CO 0.20 0.04 0.58 -0.31 0.98 0.00 0.00 173.24 174.73 1oy2 s TYR 52 N 0.65 0.74 -0.52 5.02 1.51 -0.51 -4.99 117.35 119.26 1oy2 s TYR 52 Ca -0.14 -1.12 -0.23 0.00 -1.01 0.00 0.00 57.07 54.57 1oy2 s TYR 52 Cb -0.16 0.22 0.04 0.00 -0.11 0.00 0.00 41.96 41.95 1oy2 s TYR 52 CO 0.04 -1.27 0.85 -0.51 -1.11 0.00 0.00 175.55 173.54 1oy2 s LEU 53 N -3.18 4.29 -0.04 -1.29 1.43 -1.26 -0.94 118.68 117.69 1oy2 s LEU 53 Ca 0.25 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1oy2 s LEU 53 Cb -0.02 -2.80 -0.00 0.00 0.03 0.00 0.00 46.19 43.39 1oy2 s LEU 53 CO 0.17 -1.09 -0.17 0.68 0.23 0.00 0.00 176.35 176.18 1oy2 s VAL 54 N 3.55 1.37 -0.38 -1.59 -7.23 0.21 -4.81 120.40 111.52 1oy2 s VAL 54 Ca 0.28 -0.70 -0.27 0.00 -1.81 0.00 0.00 61.98 59.48 1oy2 s VAL 54 Cb -0.14 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.65 1oy2 s VAL 54 CO 0.19 0.40 1.00 -0.13 -0.31 0.00 0.00 175.10 176.25 1oy2 s ARG 55 N -0.04 3.85 -0.23 4.82 0.52 -0.82 -2.47 118.95 124.58 1oy2 s ARG 55 Ca -0.02 0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 55.57 1oy2 s ARG 55 Cb -0.10 -3.82 -0.01 0.00 0.52 0.00 0.00 34.95 31.54 1oy2 s ARG 55 CO 0.01 -1.04 1.33 -0.47 0.02 0.00 0.00 175.30 175.16 1oy2 s TYR 56 N 3.73 2.65 0.00 -0.53 5.04 0.84 -1.74 117.35 127.35 1oy2 s TYR 56 Ca 0.42 0.86 -0.01 0.00 -2.44 0.00 0.00 57.07 55.90 1oy2 s TYR 56 Cb -0.11 -3.77 -0.04 0.00 0.35 0.00 0.00 41.96 38.39 1oy2 s TYR 56 CO 0.21 -1.91 0.11 -1.64 -1.34 0.00 0.00 175.55 170.98 1oy2 s MET 57 N 3.98 3.17 1.02 4.97 -1.94 0.78 -2.43 119.30 128.84 1oy2 s MET 57 Ca 0.58 -0.45 -0.25 0.00 -1.71 0.00 0.00 55.69 53.86 1oy2 s MET 57 Cb -0.20 -2.92 -0.11 0.00 2.01 0.00 0.00 34.83 33.61 1oy2 s MET 57 CO 0.21 0.65 -1.10 0.41 -0.01 0.00 0.00 175.02 175.18 1oy2 n GLY 58 N 1.04 -2.81 3.98 -0.03 0.00 -1.25 -2.20 105.19 103.92 1oy2 n GLY 58 Ca -0.12 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 1oy2 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oy2 s VAL 60 N -2.27 1.71 -0.27 0.00 -7.23 0.77 -0.68 120.40 112.44 1oy2 s VAL 60 Ca 0.45 -0.92 -0.29 0.00 -1.81 0.00 0.00 61.98 59.41 1oy2 s VAL 60 Cb -0.10 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.15 1oy2 s VAL 60 CO 0.33 0.30 1.20 -0.70 -0.31 0.00 0.00 175.10 175.92 1oy2 s GLU 61 N 1.39 4.06 0.05 4.82 2.56 0.10 -2.19 118.70 129.49 1oy2 s GLU 61 Ca 0.01 1.29 0.03 0.00 0.00 0.00 0.00 54.97 56.31 1oy2 s GLU 61 Cb -0.15 -3.79 -0.04 0.00 2.00 0.00 0.00 34.13 32.16 1oy2 s GLU 61 CO -0.09 -0.92 -0.00 0.08 -0.56 0.00 0.00 175.26 173.77 1oy2 s VAL 62 N 3.85 4.07 -0.03 3.70 1.01 -1.13 -1.18 120.40 130.69 1oy2 s VAL 62 Ca 0.51 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.74 1oy2 s VAL 62 Cb -0.16 -2.88 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 1oy2 s VAL 62 CO 0.17 0.24 0.08 0.18 0.00 0.00 0.00 175.10 175.77 1oy2 n LEU 63 N 0.96 0.00 -4.17 3.92 7.99 -1.26 -4.81 117.00 119.63 1oy2 n LEU 63 Ca -0.12 0.00 -0.35 0.00 -0.01 0.00 0.00 56.01 55.53 1oy2 n LEU 63 Cb 0.52 0.07 0.08 0.00 -0.11 0.00 0.00 43.42 43.97 1oy2 n LEU 63 CO 0.37 0.07 -0.90 0.00 -1.51 0.00 0.00 177.39 175.41 1oy2 n GLN 64 N -1.94 -0.21 0.01 3.23 -0.00 -1.26 -4.89 117.38 112.32 1oy2 n GLN 64 Ca -0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 57.00 56.91 1oy2 n GLN 64 Cb 0.40 -1.35 0.00 0.00 -0.00 0.00 0.00 30.24 29.29 1oy2 n GLN 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1oy2 n SER 65 N 1.43 -0.25 0.00 2.61 3.41 -1.26 -5.02 113.62 114.54 1oy2 n SER 65 Ca 0.01 0.10 -0.01 0.00 -0.26 0.00 0.00 58.87 58.72 1oy2 n SER 65 Cb 0.57 0.43 -0.00 0.00 -0.26 0.00 0.00 64.21 64.95 1oy2 n SER 65 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1oy2 n MET 66 N -2.06 0.04 -1.93 4.33 2.81 -1.26 -4.86 117.12 114.19 1oy2 n MET 66 Ca 0.00 0.02 -0.24 0.00 -1.81 0.00 0.00 57.70 55.67 1oy2 n MET 66 Cb 0.00 -0.33 -0.07 0.00 -0.71 0.00 0.00 33.22 32.11 1oy2 n MET 66 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1oy2 s ARG 67 N -1.31 2.14 0.00 0.03 3.52 -1.26 -4.79 118.95 117.28 1oy2 s ARG 67 Ca -0.02 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 1oy2 s ARG 67 Cb 0.00 -5.13 0.00 0.00 -1.56 0.00 0.00 34.95 28.27 1oy2 s ARG 67 CO 0.04 -4.28 0.00 0.00 -0.81 0.00 0.00 175.30 170.25 1oy2 n ALA 68 N 15.83 0.00 0.01 6.12 0.00 -1.26 -4.60 120.51 136.61 1oy2 n ALA 68 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.84 1oy2 n ALA 68 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 1oy2 n ALA 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1oy2 h LEU 69 N 0.00 -0.38 -5.19 0.00 6.46 -1.78 -3.44 115.31 110.98 1oy2 h LEU 69 Ca 0.00 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1oy2 h LEU 69 Cb 0.00 0.14 -0.17 0.00 -0.73 0.00 0.00 40.66 39.91 1oy2 h LEU 69 CO 0.00 -0.12 -0.22 -0.62 -0.62 0.00 0.00 178.44 176.86 1oy2 s ASP 70 N -3.02 -0.65 -1.19 1.25 2.15 -1.26 -4.93 116.67 109.02 1oy2 s ASP 70 Ca -0.04 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.37 1oy2 s ASP 70 Cb 0.01 0.84 0.00 0.00 -0.30 0.00 0.00 42.92 43.48 1oy2 s ASP 70 CO 0.14 -0.05 0.00 0.49 -0.17 0.00 0.00 175.17 175.58 1oy2 n PHE 71 N 3.23 -0.90 -3.61 -5.34 3.72 -1.26 -4.85 117.46 108.45 1oy2 n PHE 71 Ca 0.11 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.45 1oy2 n PHE 71 Cb 0.62 -2.61 -0.04 0.00 -0.94 0.00 0.00 39.48 36.50 1oy2 n PHE 71 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1oy2 s ASN 72 N -2.04 -0.19 -0.02 4.37 2.20 -1.26 -5.06 114.94 112.94 1oy2 s ASN 72 Ca 0.00 0.18 0.01 0.00 -0.94 0.00 0.00 52.86 52.11 1oy2 s ASN 72 Cb 0.00 0.16 0.03 0.00 -2.00 0.00 0.00 41.25 39.44 1oy2 s ASN 72 CO 0.00 -0.19 0.62 0.41 -2.94 0.00 0.00 177.10 175.00 1oy2 n THR 73 N 0.52 0.00 0.16 0.54 -1.04 -1.26 -3.90 114.28 109.31 1oy2 n THR 73 Ca -0.04 -0.07 -0.07 0.00 -2.04 0.00 0.00 64.05 61.83 1oy2 n THR 73 Cb 0.58 0.34 -0.03 0.00 -1.82 0.00 0.00 70.33 69.40 1oy2 n THR 73 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1oy2 h ARG 74 N 0.07 -0.42 0.96 -2.82 3.08 -1.97 -2.27 114.38 111.01 1oy2 h ARG 74 Ca -0.31 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1oy2 h ARG 74 Cb 1.02 0.10 0.01 0.00 0.08 0.00 0.00 29.97 31.18 1oy2 h ARG 74 CO -0.15 -0.28 -0.49 1.79 -1.07 0.00 0.00 179.97 179.77 1oy2 h THR 75 N -0.62 0.01 -0.19 2.04 1.35 -1.96 -1.96 112.91 111.59 1oy2 h THR 75 Ca -0.04 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.83 1oy2 h THR 75 Cb 0.34 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.74 1oy2 h THR 75 CO 0.07 0.00 -0.13 1.56 -0.25 0.00 0.00 175.52 176.77 1oy2 h GLN 76 N -1.33 -0.02 0.00 4.72 1.08 -1.96 0.61 115.11 118.22 1oy2 h GLN 76 Ca -0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1oy2 h GLN 76 Cb 1.03 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.46 1oy2 h GLN 76 CO 0.20 -0.02 -0.01 0.28 -0.95 0.00 0.00 178.83 178.34 1oy2 h VAL 77 N -0.03 0.00 -1.76 -0.54 2.07 -1.47 -1.68 116.25 112.84 1oy2 h VAL 77 Ca 0.03 0.00 0.51 0.00 0.82 0.00 0.00 66.70 68.06 1oy2 h VAL 77 Cb 0.10 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.80 1oy2 h VAL 77 CO -0.19 0.00 1.31 0.74 0.02 0.00 0.00 177.57 179.45 1oy2 h THR 78 N -0.01 0.08 0.73 2.57 2.02 -1.18 0.27 112.91 117.39 1oy2 h THR 78 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1oy2 h THR 78 Cb 0.01 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1oy2 h THR 78 CO -0.00 0.00 -0.35 -0.09 0.37 0.00 0.00 175.52 175.45 1oy2 h ARG 79 N 0.00 -0.94 -0.25 6.66 2.43 0.08 -1.60 114.38 120.75 1oy2 h ARG 79 Ca 0.84 0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 60.01 1oy2 h ARG 79 Cb 3.45 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 33.19 1oy2 h ARG 79 CO -0.01 -0.61 -0.13 1.49 -1.51 0.00 0.00 179.97 179.20 1oy2 h GLU 80 N -1.19 0.42 0.86 0.20 4.81 -0.31 -2.78 114.58 116.59 1oy2 h GLU 80 Ca -0.10 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1oy2 h GLU 80 Cb 0.77 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1oy2 h GLU 80 CO 0.16 0.55 -0.48 0.00 -0.73 0.00 0.00 179.01 178.51 1oy2 h ALA 81 N 1.48 -1.28 -0.63 2.92 0.00 -0.89 0.14 119.26 121.00 1oy2 h ALA 81 Ca 0.07 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.85 1oy2 h ALA 81 Cb 0.47 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 1oy2 h ALA 81 CO 0.03 -1.23 0.11 0.82 0.00 0.00 0.00 179.25 178.98 1oy2 h ILE 82 N -1.25 0.58 0.00 0.00 2.04 -1.25 0.54 117.51 118.18 1oy2 h ILE 82 Ca -0.12 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1oy2 h ILE 82 Cb 0.98 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1oy2 h ILE 82 CO 0.14 0.04 -0.10 0.28 0.00 0.00 0.00 178.15 178.51 1oy2 h SER 83 N 0.23 0.00 0.62 1.72 0.02 -1.30 -2.65 113.55 112.18 1oy2 h SER 83 Ca 0.34 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1oy2 h SER 83 Cb 0.53 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.07 1oy2 h SER 83 CO -0.45 0.10 -0.30 0.25 -1.14 0.00 0.00 176.83 175.30 1oy2 h LEU 84 N 0.00 -0.70 -1.15 5.07 7.12 0.30 -1.45 115.31 124.49 1oy2 h LEU 84 Ca -0.00 0.02 0.25 0.00 0.13 0.00 0.00 57.88 58.28 1oy2 h LEU 84 Cb 0.22 0.18 -0.11 0.00 -0.53 0.00 0.00 40.66 40.42 1oy2 h LEU 84 CO 0.01 -0.36 0.63 1.62 -0.13 0.00 0.00 178.44 180.21 1oy2 h VAL 85 N -1.11 0.54 -0.36 1.05 3.04 -1.19 0.42 116.25 118.63 1oy2 h VAL 85 Ca -0.08 -0.18 -0.11 0.00 -1.01 0.00 0.00 66.70 65.32 1oy2 h VAL 85 Cb 0.63 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.88 1oy2 h VAL 85 CO 0.14 0.09 -0.22 0.00 -1.01 0.00 0.00 177.57 176.57 1oy2 h GLU 87 N 0.62 0.25 -0.38 0.00 4.57 0.96 -0.46 114.58 120.14 1oy2 h GLU 87 Ca 0.09 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.17 1oy2 h GLU 87 Cb 0.71 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1oy2 h GLU 87 CO 0.05 0.17 -0.09 0.00 -1.18 0.00 0.00 179.01 177.96 1oy2 h ALA 88 N 1.26 0.53 -2.95 2.92 0.00 -1.37 -3.36 119.26 116.28 1oy2 h ALA 88 Ca 0.17 -0.31 -0.63 0.00 0.00 0.00 0.00 54.91 54.15 1oy2 h ALA 88 Cb 0.17 -0.14 -0.41 0.00 0.00 0.00 0.00 17.79 17.41 1oy2 h ALA 88 CO -0.19 0.39 -0.52 1.55 0.00 0.00 0.00 179.25 180.47 1oy2 n VAL 89 N -4.36 1.87 0.49 0.00 3.14 -0.84 -4.91 118.33 113.73 1oy2 n VAL 89 Ca -0.01 -4.95 0.07 0.00 -2.96 0.00 0.00 64.34 56.49 1oy2 n VAL 89 Cb 0.35 -2.19 0.30 0.00 -1.06 0.00 0.00 33.84 31.24 1oy2 n VAL 89 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1oy2 n PRO 90 N 1.84 0.01 -0.33 1.45 -0.04 -0.22 -3.50 135.00 134.21 1oy2 n PRO 90 Ca 0.21 0.25 0.23 0.00 -0.04 0.00 0.00 63.50 64.15 1oy2 n PRO 90 Cb 0.36 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.82 1oy2 n PRO 90 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1oy2 h GLY 91 N 2.44 1.33 1.45 0.55 0.00 -1.91 0.33 103.07 107.27 1oy2 h GLY 91 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1oy2 h GLY 91 CO 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 176.54 176.07 1oy2 h ALA 92 N 1.64 0.93 -5.03 3.60 0.00 -1.92 -3.49 119.26 114.99 1oy2 h ALA 92 Ca 0.62 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1oy2 h ALA 92 Cb 1.52 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 1oy2 h ALA 92 CO -0.33 0.62 -1.24 1.17 0.00 0.00 0.00 179.25 179.46 1oy2 n LYS 93 N -4.09 -4.26 0.00 0.00 0.00 0.12 -5.03 118.16 104.90 1oy2 n LYS 93 Ca -0.01 3.20 0.00 0.00 0.00 0.00 0.00 58.31 61.50 1oy2 n LYS 93 Cb 0.45 -4.39 0.00 0.00 0.00 0.00 0.00 35.03 31.10 1oy2 n LYS 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1oy2 n GLY 94 N 1.86 -0.10 0.50 3.14 0.00 -1.26 -5.01 105.19 104.31 1oy2 n GLY 94 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1oy2 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oy2 n ALA 95 N -2.06 2.42 -3.36 4.61 0.00 -1.26 -5.12 120.51 115.75 1oy2 n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1oy2 n ALA 95 Cb 0.00 0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1oy2 n ALA 95 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1oy2 n THR 96 N -2.56 0.00 -3.64 0.00 5.66 -1.26 -5.15 114.28 107.33 1oy2 n THR 96 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1oy2 n THR 96 Cb 0.41 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.12 1oy2 n THR 96 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1oy2 s ARG 97 N -0.48 0.48 0.53 1.09 1.70 -1.26 -4.70 118.95 116.31 1oy2 s ARG 97 Ca 0.00 0.55 0.00 0.00 -0.47 0.00 0.00 55.73 55.81 1oy2 s ARG 97 Cb 0.00 0.23 0.00 0.00 -0.57 0.00 0.00 34.95 34.61 1oy2 s ARG 97 CO 0.00 -0.06 0.00 0.54 -1.08 0.00 0.00 175.30 174.70 1oy2 n ARG 98 N 2.11 0.00 -3.63 3.89 5.12 -1.26 -4.39 116.66 118.49 1oy2 n ARG 98 Ca -0.12 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.77 1oy2 n ARG 98 Cb 0.56 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.80 1oy2 n ARG 98 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1oy2 s ARG 99 N 0.00 0.41 -0.30 5.56 3.52 -1.26 -4.85 118.95 122.03 1oy2 s ARG 99 Ca 0.00 0.73 -0.15 0.00 -0.13 0.00 0.00 55.73 56.18 1oy2 s ARG 99 Cb 0.00 0.10 0.19 0.00 -1.56 0.00 0.00 34.95 33.68 1oy2 s ARG 99 CO 0.00 -0.09 1.16 0.21 -0.81 0.00 0.00 175.30 175.77 1oy2 s LYS 100 N 1.43 0.02 0.42 5.12 2.47 -1.26 -5.16 119.74 122.77 1oy2 s LYS 100 Ca -0.09 0.00 -0.25 0.00 -1.56 0.00 0.00 55.97 54.07 1oy2 s LYS 100 Cb -0.04 0.00 -0.08 0.00 -1.46 0.00 0.00 37.83 36.25 1oy2 s LYS 100 CO -0.16 -0.02 1.24 -1.25 0.16 0.00 0.00 175.35 175.32 1oy2 s PRO 101 N 2.32 3.92 0.20 4.03 0.04 -1.26 -4.96 135.00 139.30 1oy2 s PRO 101 Ca 0.20 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.33 1oy2 s PRO 101 Cb 0.04 -2.66 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 1oy2 s PRO 101 CO -0.18 -0.48 -0.14 0.00 0.04 0.00 0.00 177.00 176.23 1oy2 n SER 103 N -0.35 -0.74 -1.53 0.00 2.88 -1.26 -4.93 113.62 107.69 1oy2 n SER 103 Ca -0.08 -1.19 0.05 0.00 -1.33 0.00 0.00 58.87 56.32 1oy2 n SER 103 Cb 0.60 -0.73 -0.03 0.00 -0.75 0.00 0.00 64.21 63.31 1oy2 n SER 103 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1oy2 n ARG 104 N -3.41 -3.91 -1.00 -1.46 5.12 -1.26 -5.02 116.66 105.71 1oy2 n ARG 104 Ca 0.12 3.08 -0.24 0.00 -1.93 0.00 0.00 57.85 58.87 1oy2 n ARG 104 Cb 0.42 -3.97 0.20 0.00 -1.16 0.00 0.00 32.46 27.94 1oy2 n ARG 104 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1oy2 n PRO 105 N -3.06 -2.39 -2.11 5.56 -0.04 -1.26 -4.72 135.00 126.98 1oy2 n PRO 105 Ca -0.03 -1.48 -0.31 0.00 -0.04 0.00 0.00 63.50 61.64 1oy2 n PRO 105 Cb 0.54 -1.29 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 1oy2 n PRO 105 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1oy2 s LEU 106 N 0.00 3.40 0.13 1.53 2.96 -1.26 -4.91 118.68 120.52 1oy2 s LEU 106 Ca 0.59 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.95 1oy2 s LEU 106 Cb -0.05 -4.45 0.00 0.00 0.50 0.00 0.00 46.19 42.19 1oy2 s LEU 106 CO 0.44 -0.75 0.00 -0.24 -1.32 0.00 0.00 176.35 174.49 1oy2 n SER 107 N -2.27 -2.30 -4.50 3.68 2.88 -1.26 -4.46 113.62 105.39 1oy2 n SER 107 Ca 0.06 0.27 -0.43 0.00 -1.33 0.00 0.00 58.87 57.44 1oy2 n SER 107 Cb 0.54 -1.23 -0.02 0.00 -0.75 0.00 0.00 64.21 62.75 1oy2 n SER 107 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1oy2 s SER 108 N -5.43 6.65 0.22 -3.46 0.15 -1.26 -4.97 113.70 105.60 1oy2 s SER 108 Ca 0.00 -1.98 0.08 0.00 0.70 0.00 0.00 55.95 54.76 1oy2 s SER 108 Cb 0.00 -2.47 -0.05 0.00 -1.71 0.00 0.00 66.02 61.79 1oy2 s SER 108 CO 0.00 -1.19 -0.15 0.27 1.20 0.00 0.00 173.24 173.37 1oy2 s ILE 109 N 3.49 1.87 0.51 6.45 -0.00 -1.26 -4.52 121.20 127.73 1oy2 s ILE 109 Ca 0.40 -2.24 0.00 0.00 -0.00 0.00 0.00 60.65 58.81 1oy2 s ILE 109 Cb -0.02 -2.12 0.00 0.00 -0.00 0.00 0.00 42.46 40.32 1oy2 s ILE 109 CO -0.07 -0.54 0.00 0.18 -0.00 0.00 0.00 174.94 174.51 1oy2 n LEU 110 N -0.44 -0.97 0.02 0.37 4.32 -1.26 -4.89 117.00 114.15 1oy2 n LEU 110 Ca -0.07 2.08 0.00 0.00 -0.02 0.00 0.00 56.01 58.00 1oy2 n LEU 110 Cb 0.60 -2.48 0.00 0.00 -1.62 0.00 0.00 43.42 39.92 1oy2 n LEU 110 CO 0.36 -1.53 -0.12 0.61 -1.22 0.00 0.00 177.39 175.48 1oy2 n GLY 111 N -3.62 -0.05 3.65 -0.72 0.00 -0.33 -4.50 105.19 99.63 1oy2 n GLY 111 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1oy2 n GLY 111 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1oy2 s ARG 112 N -2.00 0.00 -0.09 1.61 3.00 -1.04 -5.03 118.95 115.40 1oy2 s ARG 112 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 55.73 54.70 1oy2 s ARG 112 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 34.95 34.92 1oy2 s ARG 112 CO 0.00 -0.00 0.04 -1.12 0.00 0.00 0.00 175.30 174.22 1oy2 s SER 113 N 0.14 5.54 -0.16 -2.12 0.01 -1.26 -0.72 113.70 115.13 1oy2 s SER 113 Ca 0.06 0.22 -0.08 0.00 1.31 0.00 0.00 55.95 57.46 1oy2 s SER 113 Cb -0.05 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.52 1oy2 s SER 113 CO -0.16 0.38 0.10 0.54 0.41 0.00 0.00 173.24 174.51 1oy2 s ASN 114 N -0.99 5.98 0.00 2.44 2.20 0.14 -4.70 114.94 120.01 1oy2 s ASN 114 Ca 0.14 0.24 0.17 0.00 -0.94 0.00 0.00 52.86 52.47 1oy2 s ASN 114 Cb -0.12 -1.98 0.97 0.00 -2.00 0.00 0.00 41.25 38.13 1oy2 s ASN 114 CO 0.04 0.26 1.63 0.00 -2.94 0.00 0.00 177.10 176.09 1oy2 n LEU 115 N 2.95 0.04 -4.51 3.54 -0.00 -1.26 -1.42 117.00 116.35 1oy2 n LEU 115 Ca -0.18 -0.02 -0.40 0.00 -0.00 0.00 0.00 56.01 55.42 1oy2 n LEU 115 Cb 0.53 -0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.81 1oy2 n LEU 115 CO 0.34 0.01 2.20 0.29 -0.00 0.00 0.00 177.39 180.23 1oy2 n LYS 116 N -0.73 0.11 -2.50 1.47 4.76 -1.26 0.39 118.16 120.39 1oy2 n LYS 116 Ca 0.12 -0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.49 1oy2 n LYS 116 Cb 0.06 -1.69 0.04 0.00 -1.84 0.00 0.00 35.03 31.60 1oy2 n LYS 116 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1oy2 n PHE 117 N 10.95 -1.04 -4.08 2.13 3.72 -1.26 -4.58 117.46 123.30 1oy2 n PHE 117 Ca 0.63 0.41 -0.24 0.00 -0.05 0.00 0.00 57.45 58.20 1oy2 n PHE 117 Cb 0.09 -3.33 -0.04 0.00 -0.94 0.00 0.00 39.48 35.25 1oy2 n PHE 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1oy2 s ALA 118 N -3.17 3.64 -1.44 4.37 0.00 0.16 -3.95 121.76 121.37 1oy2 s ALA 118 Ca 0.08 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 50.65 1oy2 s ALA 118 Cb -0.01 -1.40 0.06 0.00 0.00 0.00 0.00 23.12 21.77 1oy2 s ALA 118 CO 0.33 0.37 0.71 0.41 0.00 0.00 0.00 175.76 177.58 1oy2 n GLY 119 N -0.83 -0.50 3.39 0.00 0.00 -1.02 -4.86 105.19 101.37 1oy2 n GLY 119 Ca -0.08 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1oy2 n GLY 119 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1oy2 s MET 120 N -6.14 3.32 -0.48 1.61 0.00 -1.05 -4.95 119.30 111.61 1oy2 s MET 120 Ca 0.47 -0.71 -0.25 0.00 0.00 0.00 0.00 55.69 55.20 1oy2 s MET 120 Cb -0.23 -3.39 0.03 0.00 0.00 0.00 0.00 34.83 31.24 1oy2 s MET 120 CO 0.58 -0.35 0.92 -1.25 0.00 0.00 0.00 175.02 174.91 1oy2 s PRO 121 N 1.56 3.48 0.29 4.11 0.05 -1.26 -0.11 135.00 143.12 1oy2 s PRO 121 Ca 0.04 0.06 0.03 0.00 0.05 0.00 0.00 61.00 61.18 1oy2 s PRO 121 Cb -0.16 -3.95 -0.04 0.00 0.05 0.00 0.00 34.50 30.40 1oy2 s PRO 121 CO 0.03 -1.26 0.15 0.96 0.05 0.00 0.00 177.00 176.93 1oy2 s ILE 122 N 3.76 0.34 -0.54 0.56 -5.25 -1.03 -3.26 121.20 115.77 1oy2 s ILE 122 Ca 0.35 -2.00 -0.19 0.00 -0.99 0.00 0.00 60.65 57.82 1oy2 s ILE 122 Cb -0.11 -2.53 0.07 0.00 2.95 0.00 0.00 42.46 42.85 1oy2 s ILE 122 CO 0.25 0.00 0.67 0.42 -1.79 0.00 0.00 174.94 174.49 1oy2 s THR 123 N -3.66 4.83 0.21 8.37 -4.23 0.33 -0.62 115.64 120.85 1oy2 s THR 123 Ca 0.36 -0.64 -0.07 0.00 -1.18 0.00 0.00 61.69 60.16 1oy2 s THR 123 Cb 0.06 -4.38 -0.06 0.00 1.34 0.00 0.00 72.50 69.45 1oy2 s THR 123 CO 0.17 -0.94 0.49 -0.22 -0.54 0.00 0.00 174.62 173.58 1oy2 s LEU 124 N 2.72 4.19 -0.04 4.79 0.20 -0.12 -0.34 118.68 130.09 1oy2 s LEU 124 Ca 0.14 0.79 0.00 0.00 0.69 0.00 0.00 54.13 55.75 1oy2 s LEU 124 Cb -0.21 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 42.04 1oy2 s LEU 124 CO 0.10 -0.05 -0.00 -0.89 -0.29 0.00 0.00 176.35 175.22 1oy2 s THR 125 N -1.79 0.24 -0.14 3.68 2.01 -0.66 -1.42 115.64 117.55 1oy2 s THR 125 Ca 0.45 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.46 1oy2 s THR 125 Cb -0.11 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 1oy2 s THR 125 CO 0.23 0.17 0.06 0.68 -0.69 0.00 0.00 174.62 175.07 1oy2 s VAL 126 N 1.14 4.79 0.16 3.82 -7.23 0.62 -2.07 120.40 121.64 1oy2 s VAL 126 Ca -0.08 -0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.06 1oy2 s VAL 126 Cb -0.13 -3.11 -0.04 0.00 0.56 0.00 0.00 36.38 33.65 1oy2 s VAL 126 CO -0.02 0.53 -0.01 -0.44 -0.31 0.00 0.00 175.10 174.86 1oy2 s SER 127 N -0.26 1.15 -0.42 4.85 0.01 0.08 -2.04 113.70 117.07 1oy2 s SER 127 Ca 0.08 -1.14 -0.31 0.00 1.31 0.00 0.00 55.95 55.89 1oy2 s SER 127 Cb -0.12 0.12 -0.10 0.00 0.21 0.00 0.00 66.02 66.14 1oy2 s SER 127 CO 0.02 -0.56 2.31 0.35 0.41 0.00 0.00 173.24 175.77 1oy2 n THR 128 N -0.20 0.13 -3.79 1.44 -2.24 -1.23 -1.60 114.28 106.80 1oy2 n THR 128 Ca -0.07 -0.43 -0.25 0.00 -2.27 0.00 0.00 64.05 61.03 1oy2 n THR 128 Cb 0.63 -2.06 0.03 0.00 -2.10 0.00 0.00 70.33 66.82 1oy2 n THR 128 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1oy2 n SER 129 N 11.99 -2.30 -3.21 3.42 7.64 -1.26 -4.96 113.62 124.95 1oy2 n SER 129 Ca 0.40 -0.82 0.04 0.00 1.01 0.00 0.00 58.87 59.50 1oy2 n SER 129 Cb 0.35 -3.92 -0.03 0.00 -1.01 0.00 0.00 64.21 59.59 1oy2 n SER 129 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1oy2 s SER 130 N -4.02 -0.30 -0.25 6.43 0.15 -0.63 -4.60 113.70 110.49 1oy2 s SER 130 Ca 0.22 0.29 -0.04 0.00 0.70 0.00 0.00 55.95 57.13 1oy2 s SER 130 Cb -0.11 1.29 0.01 0.00 -1.71 0.00 0.00 66.02 65.50 1oy2 s SER 130 CO 0.82 -0.06 -0.02 -0.22 1.20 0.00 0.00 173.24 174.97 1oy2 s LEU 131 N 2.58 3.29 -0.14 3.45 2.96 -1.26 -0.74 118.68 128.83 1oy2 s LEU 131 Ca -0.02 -0.71 0.02 0.00 -0.22 0.00 0.00 54.13 53.20 1oy2 s LEU 131 Cb -0.06 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.89 1oy2 s LEU 131 CO -0.13 -0.12 -0.21 0.20 -1.32 0.00 0.00 176.35 174.77 1oy2 s ASN 132 N 1.41 3.21 0.29 3.68 -0.87 -0.88 -4.45 114.94 117.33 1oy2 s ASN 132 Ca 0.02 -0.57 0.07 0.00 -1.57 0.00 0.00 52.86 50.81 1oy2 s ASN 132 Cb -0.16 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.25 39.58 1oy2 s ASN 132 CO -0.02 0.09 0.29 -1.48 -2.57 0.00 0.00 177.10 173.41 1oy2 s LEU 133 N 0.74 3.83 -0.15 0.60 2.34 -0.62 -1.65 118.68 123.78 1oy2 s LEU 133 Ca -0.08 -0.28 -0.04 0.00 0.06 0.00 0.00 54.13 53.78 1oy2 s LEU 133 Cb -0.16 -2.43 0.05 0.00 -0.56 0.00 0.00 46.19 43.10 1oy2 s LEU 133 CO -0.00 -0.21 0.07 -0.04 -1.06 0.00 0.00 176.35 175.12 1oy2 s MET 134 N -3.96 0.15 -0.37 1.48 -1.94 0.54 -0.36 119.30 114.84 1oy2 s MET 134 Ca 0.38 -0.05 -0.30 0.00 -1.71 0.00 0.00 55.69 54.00 1oy2 s MET 134 Cb -0.08 -1.64 -0.09 0.00 2.01 0.00 0.00 34.83 35.04 1oy2 s MET 134 CO 0.27 -0.60 2.28 0.00 -0.01 0.00 0.00 175.02 176.97 1oy2 n ALA 135 N 5.24 1.23 0.09 3.03 0.00 0.96 -0.52 120.51 130.54 1oy2 n ALA 135 Ca -0.07 -0.33 0.05 0.00 0.00 0.00 0.00 53.44 53.09 1oy2 n ALA 135 Cb 0.49 -2.81 -0.02 0.00 0.00 0.00 0.00 19.45 17.12 1oy2 n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oy2 h ALA 136 N 14.90 0.64 0.00 0.00 0.00 -1.78 -2.29 119.26 130.73 1oy2 h ALA 136 Ca -0.30 -0.44 -0.37 0.00 0.00 0.00 0.00 54.91 53.80 1oy2 h ALA 136 Cb 1.28 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 1oy2 h ALA 136 CO 1.05 0.50 -2.40 -3.47 0.00 0.00 0.00 179.25 174.93 1oy2 n ASP 137 N -2.90 1.19 0.24 0.00 2.03 -1.20 -4.34 116.55 111.56 1oy2 n ASP 137 Ca -0.03 -0.08 0.14 0.00 0.52 0.00 0.00 54.79 55.34 1oy2 n ASP 137 Cb 0.70 0.22 0.40 0.00 -0.72 0.00 0.00 41.12 41.73 1oy2 n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1oy2 n LYS 139 N -3.03 -0.71 -1.88 0.00 4.76 -1.14 -5.05 118.16 111.12 1oy2 n LYS 139 Ca 0.03 0.45 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 1oy2 n LYS 139 Cb 0.42 -3.03 0.00 0.00 -1.84 0.00 0.00 35.03 30.58 1oy2 n LYS 139 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1oy2 n GLN 140 N -1.89 0.00 -5.05 1.97 10.64 -0.87 -5.03 117.38 117.15 1oy2 n GLN 140 Ca -0.02 -0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.84 1oy2 n GLN 140 Cb 0.53 0.01 -0.15 0.00 -0.86 0.00 0.00 30.24 29.77 1oy2 n GLN 140 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1oy2 s ILE 141 N -2.14 2.33 -0.14 -0.39 1.01 -1.26 -0.03 121.20 120.58 1oy2 s ILE 141 Ca 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 60.65 59.48 1oy2 s ILE 141 Cb -0.00 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 1oy2 s ILE 141 CO -0.00 0.49 -0.05 -0.63 0.00 0.00 0.00 174.94 174.75 1oy2 s ILE 142 N -0.73 3.83 0.30 2.92 1.01 0.52 -4.70 121.20 124.34 1oy2 s ILE 142 Ca 0.11 -0.39 0.10 0.00 0.00 0.00 0.00 60.65 60.47 1oy2 s ILE 142 Cb -0.10 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 1oy2 s ILE 142 CO 0.01 0.51 -0.02 0.00 0.00 0.00 0.00 174.94 175.44 1oy2 s ALA 143 N 0.19 3.14 -0.20 9.38 0.00 -1.26 -1.59 121.76 131.42 1oy2 s ALA 143 Ca -0.02 -1.81 -0.07 0.00 0.00 0.00 0.00 51.96 50.06 1oy2 s ALA 143 Cb -0.14 -0.55 0.09 0.00 0.00 0.00 0.00 23.12 22.52 1oy2 s ALA 143 CO 0.03 0.18 0.42 1.21 0.00 0.00 0.00 175.76 177.60 1oy2 s ASN 144 N -3.68 -0.26 -0.43 0.00 2.47 -1.26 -4.95 114.94 106.83 1oy2 s ASN 144 Ca 0.33 0.99 0.10 0.00 0.42 0.00 0.00 52.86 54.70 1oy2 s ASN 144 Cb -0.04 1.37 0.39 0.00 -1.45 0.00 0.00 41.25 41.52 1oy2 s ASN 144 CO 0.19 -0.23 0.94 1.41 -3.72 0.00 0.00 177.10 175.69 1oy2 n HIS 145 N 5.39 2.31 -0.13 0.43 8.25 -1.26 -4.83 115.22 125.38 1oy2 n HIS 145 Ca -0.08 -3.44 -0.26 0.00 -0.26 0.00 0.00 57.72 53.68 1oy2 n HIS 145 Cb 0.49 -0.34 -0.11 0.00 1.12 0.00 0.00 29.99 31.16 1oy2 n HIS 145 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1oy2 n HIS 146 N -0.14 0.11 -3.64 4.41 8.25 -1.26 -5.08 115.22 117.87 1oy2 n HIS 146 Ca 0.27 0.04 -0.05 0.00 -0.26 0.00 0.00 57.72 57.71 1oy2 n HIS 146 Cb 0.63 -1.01 -0.01 0.00 1.12 0.00 0.00 29.99 30.72 1oy2 n HIS 146 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1oy2 n MET 147 N -3.97 0.33 -0.04 -0.41 2.81 -1.26 -5.07 117.12 109.51 1oy2 n MET 147 Ca -0.50 -1.05 -0.08 0.00 -1.81 0.00 0.00 57.70 54.25 1oy2 n MET 147 Cb 0.91 1.09 -0.06 0.00 -0.71 0.00 0.00 33.22 34.45 1oy2 n MET 147 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1oy2 h GLN 148 N 0.00 -0.28 0.00 0.03 1.08 -1.98 -3.47 115.11 110.49 1oy2 h GLN 148 Ca -0.12 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1oy2 h GLN 148 Cb 0.48 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1oy2 h GLN 148 CO 0.15 -0.18 0.00 -1.13 -0.95 0.00 0.00 178.83 176.72 1oy2 n SER 149 N -4.21 0.00 -2.83 1.46 3.41 -1.26 -2.58 113.62 107.62 1oy2 n SER 149 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.45 1oy2 n SER 149 Cb 0.21 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 1oy2 n SER 149 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1oy2 n ILE 150 N 0.00 0.00 0.03 -1.33 -5.35 -1.26 -4.93 119.36 106.52 1oy2 n ILE 150 Ca 0.00 -1.54 0.00 0.00 -0.27 0.00 0.00 62.75 60.94 1oy2 n ILE 150 Cb 0.00 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 1oy2 n ILE 150 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1oy2 n SER 151 N -1.63 -0.59 -3.97 7.28 2.88 -1.26 -5.07 113.62 111.25 1oy2 n SER 151 Ca -0.01 0.18 -0.29 0.00 -1.33 0.00 0.00 58.87 57.42 1oy2 n SER 151 Cb 0.55 0.81 -0.17 0.00 -0.75 0.00 0.00 64.21 64.65 1oy2 n SER 151 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1oy2 s PHE 152 N -1.24 1.92 0.08 0.66 0.08 -1.26 -5.13 117.98 113.09 1oy2 s PHE 152 Ca 0.00 -1.06 0.01 0.00 0.12 0.00 0.00 56.93 56.01 1oy2 s PHE 152 Cb 0.00 -1.46 0.01 0.00 -0.57 0.00 0.00 43.02 41.01 1oy2 s PHE 152 CO 0.00 -0.62 0.11 0.00 -0.10 0.00 0.00 175.22 174.62 1oy2 n ALA 153 N 4.83 0.16 -0.06 5.36 0.00 -1.26 -4.44 120.51 125.11 1oy2 n ALA 153 Ca -0.15 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 52.88 1oy2 n ALA 153 Cb 0.50 0.08 -0.14 0.00 0.00 0.00 0.00 19.45 19.88 1oy2 n ALA 153 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1oy2 n SER 154 N -2.91 0.94 0.00 0.00 7.64 -1.26 -5.00 113.62 113.02 1oy2 n SER 154 Ca 0.02 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1oy2 n SER 154 Cb 0.08 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1oy2 n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1oy2 n GLY 155 N 1.80 2.07 1.37 0.23 0.00 -1.26 -4.84 105.19 104.54 1oy2 n GLY 155 Ca -0.29 -0.06 0.17 0.00 0.00 0.00 0.00 46.02 45.84 1oy2 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oy2 n GLY 156 N 0.00 -3.02 2.69 -0.02 0.00 -1.26 -4.53 105.19 99.04 1oy2 n GLY 156 Ca 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 46.02 44.88 1oy2 n GLY 156 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1oy2 n ASP 157 N -4.22 -1.60 -4.98 1.61 2.03 -1.26 -4.51 116.55 103.62 1oy2 n ASP 157 Ca -0.07 -2.43 -0.20 0.00 0.52 0.00 0.00 54.79 52.62 1oy2 n ASP 157 Cb 0.65 1.36 0.03 0.00 -0.72 0.00 0.00 41.12 42.43 1oy2 n ASP 157 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1oy2 s PRO 158 N 0.12 2.62 0.21 -0.67 0.04 -1.26 -5.09 135.00 130.97 1oy2 s PRO 158 Ca 0.19 -0.95 -0.07 0.00 0.04 0.00 0.00 61.00 60.21 1oy2 s PRO 158 Cb 0.27 -2.58 0.16 0.00 0.04 0.00 0.00 34.50 32.39 1oy2 s PRO 158 CO -0.12 -0.58 1.68 -0.44 0.04 0.00 0.00 177.00 177.58 1oy2 h ASP 159 N 0.25 0.96 0.00 6.66 5.19 -1.79 -3.42 116.42 124.28 1oy2 h ASP 159 Ca -0.41 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 55.74 1oy2 h ASP 159 Cb 1.29 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1oy2 h ASP 159 CO 0.49 1.02 0.00 0.35 -3.12 0.00 0.00 179.24 177.98 1oy2 n THR 160 N -4.19 0.00 0.00 0.35 -2.24 -1.26 -4.71 114.28 102.23 1oy2 n THR 160 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1oy2 n THR 160 Cb 0.33 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1oy2 n THR 160 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oy2 n ALA 161 N 0.00 0.00 -2.72 6.98 0.00 -1.26 -2.51 120.51 121.00 1oy2 n ALA 161 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1oy2 n ALA 161 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 1oy2 n ALA 161 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1oy2 n GLU 162 N 0.00 1.34 -4.39 0.00 0.00 -1.26 -4.99 120.64 111.34 1oy2 n GLU 162 Ca 0.00 -2.63 -0.22 0.00 0.00 0.00 0.00 57.16 54.32 1oy2 n GLU 162 Cb 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 31.44 30.57 1oy2 n GLU 162 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1oy2 s TYR 163 N -1.96 1.97 0.00 4.31 1.51 -1.05 -4.72 117.35 117.42 1oy2 s TYR 163 Ca 0.23 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1oy2 s TYR 163 Cb 0.41 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 41.34 1oy2 s TYR 163 CO -0.04 0.48 -0.05 0.08 -1.11 0.00 0.00 175.55 174.91 1oy2 s VAL 164 N -2.48 0.37 0.09 0.71 1.01 -0.89 -4.21 120.40 115.00 1oy2 s VAL 164 Ca 0.23 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.00 1oy2 s VAL 164 Cb -0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1oy2 s VAL 164 CO 0.10 0.04 -0.23 0.00 0.00 0.00 0.00 175.10 175.00 1oy2 s ALA 165 N -0.27 1.98 0.15 5.51 0.00 -1.26 -0.29 121.76 127.58 1oy2 s ALA 165 Ca 0.00 -1.27 0.10 0.00 0.00 0.00 0.00 51.96 50.79 1oy2 s ALA 165 Cb -0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1oy2 s ALA 165 CO -0.00 0.43 -0.22 0.71 0.00 0.00 0.00 175.76 176.67 1oy2 s TYR 166 N -1.05 2.05 0.07 0.00 1.51 0.66 -4.58 117.35 116.02 1oy2 s TYR 166 Ca 0.09 -0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 55.67 1oy2 s TYR 166 Cb -0.10 -1.06 -0.05 0.00 -0.11 0.00 0.00 41.96 40.64 1oy2 s TYR 166 CO 0.04 0.35 0.35 0.54 -1.11 0.00 0.00 175.55 175.73 1oy2 s VAL 167 N -1.54 5.18 -0.21 0.71 0.11 -1.26 -0.05 120.40 123.33 1oy2 s VAL 167 Ca 0.15 0.25 -0.04 0.00 -2.93 0.00 0.00 61.98 59.40 1oy2 s VAL 167 Cb -0.08 -3.62 0.07 0.00 -1.53 0.00 0.00 36.38 31.23 1oy2 s VAL 167 CO 0.07 0.25 0.10 0.00 -3.33 0.00 0.00 175.10 172.18 1oy2 s ALA 168 N -1.44 0.58 -0.76 1.54 0.00 0.42 -4.68 121.76 117.42 1oy2 s ALA 168 Ca 0.33 -0.63 -0.23 0.00 0.00 0.00 0.00 51.96 51.43 1oy2 s ALA 168 Cb -0.13 -1.18 0.07 0.00 0.00 0.00 0.00 23.12 21.88 1oy2 s ALA 168 CO 0.19 -1.34 1.12 0.15 0.00 0.00 0.00 175.76 175.89 1oy2 s LYS 169 N 2.08 3.25 -0.30 0.00 1.02 -1.26 -2.03 119.74 122.49 1oy2 s LYS 169 Ca 0.04 -0.84 -0.13 0.00 0.02 0.00 0.00 55.97 55.06 1oy2 s LYS 169 Cb -0.16 -4.44 0.19 0.00 -0.52 0.00 0.00 37.83 32.90 1oy2 s LYS 169 CO -0.18 -1.94 1.12 0.16 -0.92 0.00 0.00 175.35 173.58 1oy2 s ASP 170 N 3.84 -0.18 1.03 2.83 -4.77 -1.26 -4.24 116.67 113.91 1oy2 s ASP 170 Ca 0.30 -0.03 -0.11 0.00 -3.30 0.00 0.00 52.55 49.40 1oy2 s ASP 170 Cb -0.11 0.73 0.20 0.00 -1.09 0.00 0.00 42.92 42.65 1oy2 s ASP 170 CO 0.06 -0.03 1.04 -2.65 0.70 0.00 0.00 175.17 174.29 1oy2 n PRO 171 N 4.41 -1.32 -0.99 2.11 -0.02 -1.26 -4.50 135.00 133.43 1oy2 n PRO 171 Ca 0.08 -0.34 -0.29 0.00 -2.02 0.00 0.00 63.50 60.93 1oy2 n PRO 171 Cb 0.61 -2.26 0.19 0.00 -0.02 0.00 0.00 33.50 32.02 1oy2 n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1oy2 s VAL 172 N -2.52 2.18 -0.09 -1.45 1.01 -1.26 -3.95 120.40 114.30 1oy2 s VAL 172 Ca 0.67 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.71 1oy2 s VAL 172 Cb -0.24 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1oy2 s VAL 172 CO 0.62 -0.07 0.08 -3.20 0.00 0.00 0.00 175.10 172.52 1oy2 n ASN 173 N -4.33 -2.03 -2.58 3.32 2.85 -1.26 -4.68 115.26 106.54 1oy2 n ASN 173 Ca 0.05 -0.05 -0.03 0.00 -0.11 0.00 0.00 54.58 54.45 1oy2 n ASN 173 Cb 0.56 -0.86 -0.02 0.00 1.24 0.00 0.00 39.78 40.70 1oy2 n ASN 173 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1oy2 n GLN 174 N -1.21 -3.47 0.10 1.20 6.02 -1.26 -5.03 117.38 113.72 1oy2 n GLN 174 Ca -0.02 2.64 0.00 0.00 -0.01 0.00 0.00 57.00 59.61 1oy2 n GLN 174 Cb 0.51 -3.50 0.00 0.00 1.02 0.00 0.00 30.24 28.27 1oy2 n GLN 174 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1oy2 n ARG 175 N 1.98 0.00 -4.26 -1.09 5.12 -1.25 -5.01 116.66 112.14 1oy2 n ARG 175 Ca -0.19 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.47 1oy2 n ARG 175 Cb 0.29 -0.14 -0.09 0.00 -1.16 0.00 0.00 32.46 31.36 1oy2 n ARG 175 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1oy2 s ALA 176 N -2.00 3.05 -0.20 7.54 0.00 -0.86 -2.84 121.76 126.44 1oy2 s ALA 176 Ca 0.00 -1.46 -0.03 0.00 0.00 0.00 0.00 51.96 50.47 1oy2 s ALA 176 Cb 0.00 -0.82 0.07 0.00 0.00 0.00 0.00 23.12 22.37 1oy2 s ALA 176 CO 0.00 0.45 0.06 0.00 0.00 0.00 0.00 175.76 176.27 1oy2 s HIS 178 N 1.92 2.15 0.10 0.00 3.76 0.93 -0.16 115.29 123.99 1oy2 s HIS 178 Ca 0.01 1.43 0.09 0.00 -0.15 0.00 0.00 55.06 56.44 1oy2 s HIS 178 Cb -0.17 -3.16 -0.03 0.00 1.11 0.00 0.00 32.58 30.33 1oy2 s HIS 178 CO -0.11 -2.48 -0.23 0.42 -0.85 0.00 0.00 174.74 171.49 1oy2 s ILE 179 N -2.82 1.87 0.15 0.60 -1.09 -0.47 -0.24 121.20 119.19 1oy2 s ILE 179 Ca 0.64 -1.56 -0.06 0.00 -2.23 0.00 0.00 60.65 57.45 1oy2 s ILE 179 Cb -0.19 -1.67 -0.02 0.00 -1.58 0.00 0.00 42.46 38.99 1oy2 s ILE 179 CO 0.58 0.02 0.19 -0.22 -1.23 0.00 0.00 174.94 174.28 1oy2 s LEU 180 N -1.84 1.28 -0.23 2.97 2.96 0.60 -0.16 118.68 124.25 1oy2 s LEU 180 Ca 0.09 -1.02 -0.04 0.00 -0.22 0.00 0.00 54.13 52.93 1oy2 s LEU 180 Cb -0.10 0.82 0.12 0.00 0.50 0.00 0.00 46.19 47.54 1oy2 s LEU 180 CO 0.04 -0.83 0.41 -0.70 -1.32 0.00 0.00 176.35 173.95 1oy2 s GLU 181 N -4.01 0.36 -0.07 1.98 2.12 -0.71 -2.09 118.70 116.27 1oy2 s GLU 181 Ca 0.21 0.74 0.03 0.00 0.36 0.00 0.00 54.97 56.30 1oy2 s GLU 181 Cb 0.05 -0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.32 1oy2 s GLU 181 CO 0.01 -0.51 -0.15 0.00 -0.54 0.00 0.00 175.26 174.08 1oy2 h PRO 183 N 6.95 0.00 -1.09 0.00 0.13 -1.93 -3.43 132.00 132.62 1oy2 h PRO 183 Ca -0.28 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.14 1oy2 h PRO 183 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 1oy2 h PRO 183 CO 0.47 0.63 0.95 -1.83 -0.23 0.00 0.00 178.00 178.00 1oy2 s GLU 184 N -3.23 0.07 0.00 0.86 -1.05 -1.26 -5.01 118.70 109.08 1oy2 s GLU 184 Ca 0.01 -0.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.82 1oy2 s GLU 184 Cb 0.10 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 1oy2 s GLU 184 CO 0.75 -0.03 0.00 0.41 0.95 0.00 0.00 175.26 177.35 1oy2 n GLY 185 N 0.19 1.15 0.15 -3.83 0.00 -1.26 -4.50 105.19 97.08 1oy2 n GLY 185 Ca 0.03 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.38 1oy2 n GLY 185 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1oy2 h LEU 186 N 0.00 0.00 -1.82 0.99 5.85 -1.95 -3.26 115.31 115.11 1oy2 h LEU 186 Ca 0.00 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 1oy2 h LEU 186 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1oy2 h LEU 186 CO 0.00 0.43 0.59 0.00 -0.34 0.00 0.00 178.44 179.12 1oy2 h ALA 187 N 1.57 2.29 -0.23 1.25 0.00 -1.84 0.21 119.26 122.51 1oy2 h ALA 187 Ca -0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1oy2 h ALA 187 Cb 1.34 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1oy2 h ALA 187 CO 0.05 -0.87 -0.59 1.96 0.00 0.00 0.00 179.25 179.81 1oy2 h GLN 188 N 0.00 0.81 0.00 0.00 1.08 -1.93 -2.55 115.11 112.52 1oy2 h GLN 188 Ca 0.26 -0.56 -0.00 0.00 -1.45 0.00 0.00 58.65 56.90 1oy2 h GLN 188 Cb 1.44 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.95 1oy2 h GLN 188 CO -0.00 1.18 -0.00 -0.44 -0.95 0.00 0.00 178.83 178.62 1oy2 h ASP 189 N 0.56 -0.01 -0.50 1.46 3.32 -0.87 -3.29 116.42 117.10 1oy2 h ASP 189 Ca -0.01 -0.55 0.10 0.00 0.02 0.00 0.00 57.03 56.59 1oy2 h ASP 189 Cb 1.20 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.67 1oy2 h ASP 189 CO 0.13 0.76 -0.07 -0.37 -1.72 0.00 0.00 179.24 177.97 1oy2 h VAL 190 N -1.00 0.55 -0.03 -1.35 -1.51 -1.28 0.38 116.25 112.00 1oy2 h VAL 190 Ca -0.00 -0.02 0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1oy2 h VAL 190 Cb 0.55 0.50 -0.00 0.00 -2.13 0.00 0.00 31.29 30.21 1oy2 h VAL 190 CO 0.00 0.01 0.22 -0.29 -1.23 0.00 0.00 177.57 176.28 1oy2 h ILE 191 N 0.05 0.06 -3.28 7.19 2.10 -1.60 -3.46 117.51 118.56 1oy2 h ILE 191 Ca 0.25 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.19 1oy2 h ILE 191 Cb 0.38 0.78 -0.03 0.00 -1.09 0.00 0.00 36.82 36.87 1oy2 h ILE 191 CO -0.47 0.00 -0.40 -1.20 -1.08 0.00 0.00 178.15 175.00 1oy2 n SER 192 N -3.07 -2.45 0.05 2.19 7.64 0.13 -4.43 113.62 113.67 1oy2 n SER 192 Ca -0.02 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1oy2 n SER 192 Cb 0.29 -2.22 0.00 0.00 -1.01 0.00 0.00 64.21 61.27 1oy2 n SER 192 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1oy2 n THR 193 N 0.50 0.00 -3.46 0.44 -1.04 -1.25 -4.98 114.28 104.48 1oy2 n THR 193 Ca -0.08 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.50 1oy2 n THR 193 Cb 0.12 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.54 1oy2 n THR 193 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1oy2 s ILE 194 N -2.00 5.13 0.00 12.58 -4.36 -1.26 -5.01 121.20 126.28 1oy2 s ILE 194 Ca 0.00 -0.82 0.00 0.00 -0.26 0.00 0.00 60.65 59.57 1oy2 s ILE 194 Cb 0.00 -3.93 0.00 0.00 1.25 0.00 0.00 42.46 39.78 1oy2 s ILE 194 CO 0.00 -0.38 0.00 0.61 0.24 0.00 0.00 174.94 175.41 1oy2 n GLY 195 N 5.14 -0.04 0.00 6.27 0.00 -1.26 -3.88 105.19 111.42 1oy2 n GLY 195 Ca -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1oy2 n GLY 195 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1oy2 n GLN 196 N -0.47 0.00 -1.55 1.61 7.27 0.18 -4.70 117.38 119.73 1oy2 n GLN 196 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.68 1oy2 n GLN 196 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 1oy2 n GLN 196 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1oy2 n ALA 197 N -0.09 0.94 -1.16 1.69 0.00 -1.26 -3.58 120.51 117.06 1oy2 n ALA 197 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1oy2 n ALA 197 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.43 1oy2 n ALA 197 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1oy2 n PHE 198 N 14.22 0.00 -1.96 0.00 7.35 -1.26 -4.84 117.46 130.96 1oy2 n PHE 198 Ca 0.39 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.08 1oy2 n PHE 198 Cb 0.46 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.29 1oy2 n PHE 198 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1oy2 n GLU 199 N 0.00 0.00 0.00 -4.13 4.07 -1.26 -4.85 120.64 114.47 1oy2 n GLU 199 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1oy2 n GLU 199 Cb 0.00 -2.44 0.00 0.00 -0.06 0.00 0.00 31.44 28.94 1oy2 n GLU 199 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1oy2 n LEU 200 N -0.96 0.00 -3.27 4.31 7.94 -1.26 -4.72 117.00 119.04 1oy2 n LEU 200 Ca 0.00 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.65 1oy2 n LEU 200 Cb 0.49 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.36 1oy2 n LEU 200 CO 0.00 0.00 -0.23 -1.14 -1.11 0.00 0.00 177.39 174.91 1oy2 n ARG 201 N 0.00 0.98 -1.28 1.96 0.63 -1.26 -4.89 116.66 112.81 1oy2 n ARG 201 Ca 0.00 -3.49 -0.10 0.00 -0.92 0.00 0.00 57.85 53.34 1oy2 n ARG 201 Cb 0.00 -1.47 -0.04 0.00 0.45 0.00 0.00 32.46 31.40 1oy2 n ARG 201 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1oy2 n PHE 202 N 1.51 0.00 -0.02 -0.14 -0.00 -1.26 -4.75 117.46 112.79 1oy2 n PHE 202 Ca 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.66 1oy2 n PHE 202 Cb 0.50 -2.49 -0.03 0.00 -0.00 0.00 0.00 39.48 37.46 1oy2 n PHE 202 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.76 177.12 1oy2 n LYS 203 N -1.00 1.73 -1.06 -4.13 2.85 -1.26 -5.13 118.16 110.16 1oy2 n LYS 203 Ca -0.10 0.01 0.13 0.00 -1.05 0.00 0.00 58.31 57.30 1oy2 n LYS 203 Cb 0.53 -1.11 -0.04 0.00 -0.65 0.00 0.00 35.03 33.76 1oy2 n LYS 203 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1oy2 n GLN 204 N -2.41 -2.01 -1.68 -1.58 3.00 -1.26 -4.56 117.38 106.88 1oy2 n GLN 204 Ca -0.08 1.44 -0.14 0.00 -0.01 0.00 0.00 57.00 58.20 1oy2 n GLN 204 Cb 0.62 -2.52 -0.04 0.00 0.00 0.00 0.00 30.24 28.29 1oy2 n GLN 204 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1oy2 n TYR 205 N -3.30 -0.62 -1.94 1.08 4.02 -1.26 -1.28 117.16 113.86 1oy2 n TYR 205 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.78 1oy2 n TYR 205 Cb 0.62 -2.72 -0.02 0.00 -0.02 0.00 0.00 39.34 37.19 1oy2 n TYR 205 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1oy2 n LEU 206 N -2.16 -0.85 0.00 7.72 7.94 -1.26 -5.20 117.00 123.19 1oy2 n LEU 206 Ca -0.14 0.25 0.11 0.00 -1.11 0.00 0.00 56.01 55.12 1oy2 n LEU 206 Cb 0.50 -1.81 0.65 0.00 0.53 0.00 0.00 43.42 43.29 1oy2 n LEU 206 CO 0.20 -0.29 0.84 0.54 -1.11 0.00 0.00 177.39 177.57