#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbe h PRO 3 N 0.00 -0.89 -6.58 0.03 0.11 -1.98 -3.39 132.00 119.30 3mbe h PRO 3 Ca 0.00 0.06 -0.66 0.00 0.11 0.00 0.00 66.00 65.51 3mbe h PRO 3 Cb 0.00 0.20 -0.16 0.00 0.11 0.00 0.00 31.00 31.15 3mbe h PRO 3 CO 0.00 -0.59 -0.75 0.08 -0.21 0.00 0.00 178.00 176.53 3mbe s VAL 4 N -4.65 3.24 -0.17 3.15 1.01 -1.26 -1.83 120.40 119.89 3mbe s VAL 4 Ca -0.13 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.45 3mbe s VAL 4 Cb 0.01 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.93 3mbe s VAL 4 CO 0.40 0.09 0.06 -0.70 0.00 0.00 0.00 175.10 174.95 3mbe s GLU 5 N -2.26 0.33 -0.16 2.72 2.56 -0.65 -4.87 118.70 116.38 3mbe s GLU 5 Ca 0.21 -0.21 -0.12 0.00 0.00 0.00 0.00 54.97 54.85 3mbe s GLU 5 Cb -0.11 -1.90 -0.05 0.00 2.00 0.00 0.00 34.13 34.08 3mbe s GLU 5 CO 0.13 -0.64 0.22 -0.65 -0.56 0.00 0.00 175.26 173.77 3mbe s GLN 6 N 2.01 4.12 -0.09 4.30 -0.21 -1.26 -1.98 119.66 126.56 3mbe s GLN 6 Ca 0.01 -0.02 -0.06 0.00 0.02 0.00 0.00 55.36 55.31 3mbe s GLN 6 Cb -0.16 -3.39 0.03 0.00 1.00 0.00 0.00 33.01 30.50 3mbe s GLN 6 CO -0.08 0.35 0.21 1.21 -2.12 0.00 0.00 175.29 174.85 3mbe s ASN 7 N 0.17 -0.21 1.06 5.90 2.47 -0.58 -4.43 114.94 119.32 3mbe s ASN 7 Ca 0.14 0.44 -0.17 0.00 0.42 0.00 0.00 52.86 53.68 3mbe s ASN 7 Cb -0.12 0.37 0.23 0.00 -1.45 0.00 0.00 41.25 40.27 3mbe s ASN 7 CO 0.02 -0.12 1.20 -2.16 -3.72 0.00 0.00 177.10 172.32 3mbe s PRO 8 N 0.78 -0.11 0.37 0.43 0.04 -1.26 -0.09 135.00 135.16 3mbe s PRO 8 Ca -0.06 -0.15 0.20 0.00 0.04 0.00 0.00 61.00 61.03 3mbe s PRO 8 Cb -0.07 -1.73 0.29 0.00 0.04 0.00 0.00 34.50 33.03 3mbe s PRO 8 CO -0.05 -2.95 1.56 -1.00 0.04 0.00 0.00 177.00 174.60 3mbe h PRO 9 N -2.03 0.00 -1.39 0.56 0.13 -1.83 -3.42 132.00 124.02 3mbe h PRO 9 Ca -0.46 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.80 3mbe h PRO 9 Cb 1.27 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.14 3mbe h PRO 9 CO 0.40 0.24 0.66 0.00 -0.23 0.00 0.00 178.00 179.06 3mbe s ALA 10 N -3.14 -2.04 0.05 -0.56 0.00 -1.26 -2.39 121.76 112.41 3mbe s ALA 10 Ca 0.05 1.75 -0.04 0.00 0.00 0.00 0.00 51.96 53.72 3mbe s ALA 10 Cb 0.07 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 3mbe s ALA 10 CO 0.70 -0.23 0.06 -0.48 0.00 0.00 0.00 175.76 175.81 3mbe s LEU 11 N -0.43 1.97 0.29 0.00 2.34 0.21 -4.87 118.68 118.19 3mbe s LEU 11 Ca 0.03 -0.67 0.07 0.00 0.06 0.00 0.00 54.13 53.63 3mbe s LEU 11 Cb -0.03 0.51 -0.03 0.00 -0.56 0.00 0.00 46.19 46.08 3mbe s LEU 11 CO -0.06 -0.54 0.26 -0.55 -1.06 0.00 0.00 176.35 174.39 3mbe s SER 12 N -2.36 5.50 0.15 1.48 0.15 -1.26 -1.06 113.70 116.29 3mbe s SER 12 Ca -0.02 -0.32 -0.25 0.00 0.70 0.00 0.00 55.95 56.06 3mbe s SER 12 Cb 0.01 -1.26 0.06 0.00 -1.71 0.00 0.00 66.02 63.13 3mbe s SER 12 CO -0.06 -0.18 0.96 -0.76 1.20 0.00 0.00 173.24 174.39 3mbe s LEU 13 N -3.92 -0.18 0.46 3.45 1.43 -0.26 -4.89 118.68 114.76 3mbe s LEU 13 Ca 0.37 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 3mbe s LEU 13 Cb -0.07 2.15 -0.03 0.00 0.03 0.00 0.00 46.19 48.27 3mbe s LEU 13 CO 0.26 -0.89 0.03 -0.31 0.23 0.00 0.00 176.35 175.67 3mbe s TYR 14 N -3.28 1.99 0.82 0.29 2.02 -1.26 0.61 117.35 118.54 3mbe s TYR 14 Ca 0.12 -0.96 -0.14 0.00 -0.37 0.00 0.00 57.07 55.72 3mbe s TYR 14 Cb -0.01 -1.53 0.04 0.00 -0.40 0.00 0.00 41.96 40.05 3mbe s TYR 14 CO 0.02 0.16 0.80 0.39 -1.57 0.00 0.00 175.55 175.34 3mbe n GLU 15 N -1.09 0.07 0.00 -0.62 -0.58 -1.13 -3.00 120.64 114.30 3mbe n GLU 15 Ca -0.12 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 3mbe n GLU 15 Cb 0.67 -2.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 3mbe n GLU 15 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mbe n GLY 16 N 1.11 0.63 3.78 0.62 0.00 -0.53 -4.72 105.19 106.07 3mbe n GLY 16 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3mbe n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mbe s ALA 17 N 0.00 2.79 0.38 4.61 0.00 -1.16 -2.66 121.76 125.72 3mbe s ALA 17 Ca 0.00 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.81 3mbe s ALA 17 Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 3mbe s ALA 17 CO 0.00 -0.61 0.42 -0.51 0.00 0.00 0.00 175.76 175.06 3mbe s ASP 18 N -1.77 5.42 -0.14 0.00 1.01 -1.26 -2.36 116.67 117.57 3mbe s ASP 18 Ca 0.70 -0.51 -0.34 0.00 0.71 0.00 0.00 52.55 53.11 3mbe s ASP 18 Cb -0.22 -0.80 0.13 0.00 1.01 0.00 0.00 42.92 43.04 3mbe s ASP 18 CO 0.26 -0.57 1.20 -0.55 0.21 0.00 0.00 175.17 175.71 3mbe s SER 19 N -4.16 -0.14 0.23 0.27 0.15 -0.90 -5.02 113.70 104.14 3mbe s SER 19 Ca 0.48 -0.03 0.07 0.00 0.70 0.00 0.00 55.95 57.16 3mbe s SER 19 Cb -0.07 0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.36 3mbe s SER 19 CO 0.29 -0.28 -0.11 -0.83 1.20 0.00 0.00 173.24 173.51 3mbe s GLY 20 N -2.37 1.59 -0.10 9.45 0.00 -1.26 -0.63 107.32 114.00 3mbe s GLY 20 Ca 0.10 -1.76 -0.01 0.00 0.00 0.00 0.00 44.72 43.05 3mbe s GLY 20 CO -0.05 -1.79 -0.04 1.08 0.00 0.00 0.00 173.10 172.30 3mbe s LEU 21 N -3.37 0.96 0.30 0.66 1.02 0.17 -4.74 118.68 113.68 3mbe s LEU 21 Ca 0.25 -0.23 -0.15 0.00 0.02 0.00 0.00 54.13 54.02 3mbe s LEU 21 Cb 0.01 -0.68 -0.09 0.00 0.02 0.00 0.00 46.19 45.45 3mbe s LEU 21 CO 0.09 -0.15 0.72 -0.13 0.02 0.00 0.00 176.35 176.90 3mbe s ARG 22 N 1.81 4.01 -0.30 1.70 0.52 0.87 -2.14 118.95 125.43 3mbe s ARG 22 Ca 0.05 0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 55.91 3mbe s ARG 22 Cb -0.13 -2.50 0.13 0.00 0.52 0.00 0.00 34.95 32.98 3mbe s ARG 22 CO -0.07 0.20 0.26 0.00 0.02 0.00 0.00 175.30 175.71 3mbe s ASN 24 N 2.15 6.36 0.39 0.00 -0.87 -0.83 -1.15 114.94 120.98 3mbe s ASN 24 Ca 0.10 0.42 0.08 0.00 -1.57 0.00 0.00 52.86 51.89 3mbe s ASN 24 Cb -0.15 -2.12 -0.04 0.00 -0.02 0.00 0.00 41.25 38.92 3mbe s ASN 24 CO -0.29 0.22 0.25 -0.36 -2.57 0.00 0.00 177.10 174.34 3mbe s PHE 25 N -0.02 2.71 -0.15 2.20 0.40 -0.91 -1.64 117.98 120.58 3mbe s PHE 25 Ca 0.13 -0.47 0.04 0.00 -0.60 0.00 0.00 56.93 56.04 3mbe s PHE 25 Cb -0.12 -1.93 -0.23 0.00 0.51 0.00 0.00 43.02 41.25 3mbe s PHE 25 CO 0.02 0.12 0.24 -1.13 0.70 0.00 0.00 175.22 175.18 3mbe n SER 26 N -1.34 1.42 -0.80 1.36 3.41 -0.76 -4.87 113.62 112.04 3mbe n SER 26 Ca -0.00 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3mbe n SER 26 Cb 0.62 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3mbe n SER 26 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3mbe n THR 27 N -3.19 0.00 -3.13 6.66 5.66 -1.26 -5.11 114.28 113.91 3mbe n THR 27 Ca -0.32 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.28 3mbe n THR 27 Cb 1.05 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.77 3mbe n THR 27 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3mbe s THR 28 N -0.12 5.02 -0.08 1.09 2.01 -1.26 -4.81 115.64 117.47 3mbe s THR 28 Ca 0.00 1.15 -0.01 0.00 0.31 0.00 0.00 61.69 63.14 3mbe s THR 28 Cb 0.00 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 3mbe s THR 28 CO 0.00 0.09 -0.03 -0.04 -0.69 0.00 0.00 174.62 173.95 3mbe s MET 29 N 2.09 2.94 -0.00 4.92 -1.94 -1.26 -4.85 119.30 121.19 3mbe s MET 29 Ca 0.27 -0.48 -0.24 0.00 -1.71 0.00 0.00 55.69 53.54 3mbe s MET 29 Cb -0.16 -2.72 -0.15 0.00 2.01 0.00 0.00 34.83 33.82 3mbe s MET 29 CO 0.10 0.65 1.07 0.87 -0.01 0.00 0.00 175.02 177.69 3mbe h LYS 37 N 5.33 -0.56 -4.36 2.03 1.57 -1.76 -3.45 116.57 115.38 3mbe h LYS 37 Ca -0.48 0.04 -0.29 0.00 -1.87 0.00 0.00 60.65 58.05 3mbe h LYS 37 Cb 1.18 0.13 -0.25 0.00 0.08 0.00 0.00 32.23 33.37 3mbe h LYS 37 CO 0.54 -0.25 -0.74 -1.54 -0.57 0.00 0.00 179.45 176.89 3mbe s SER 38 N -4.90 0.65 0.35 0.86 1.04 -1.26 -4.76 113.70 105.67 3mbe s SER 38 Ca -0.13 -0.31 0.08 0.00 0.48 0.00 0.00 55.95 56.07 3mbe s SER 38 Cb 0.02 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 3mbe s SER 38 CO 0.45 -0.08 0.27 0.54 0.98 0.00 0.00 173.24 175.41 3mbe s VAL 39 N -0.73 3.22 -0.24 5.02 0.11 -0.52 -0.42 120.40 126.83 3mbe s VAL 39 Ca -0.04 -1.45 -0.10 0.00 -2.93 0.00 0.00 61.98 57.45 3mbe s VAL 39 Cb -0.06 -3.10 0.10 0.00 -1.53 0.00 0.00 36.38 31.79 3mbe s VAL 39 CO 0.00 -0.14 0.54 -1.58 -3.33 0.00 0.00 175.10 170.59 3mbe s GLN 40 N -3.98 0.49 -0.18 1.54 0.74 0.05 -1.48 119.66 116.85 3mbe s GLN 40 Ca 0.41 1.17 -0.09 0.00 0.05 0.00 0.00 55.36 56.90 3mbe s GLN 40 Cb -0.04 0.41 -0.05 0.00 1.10 0.00 0.00 33.01 34.43 3mbe s GLN 40 CO 0.26 -0.20 0.12 -1.58 -0.55 0.00 0.00 175.29 173.33 3mbe s TRP 41 N 2.30 3.41 0.52 1.67 0.52 0.19 -0.21 118.94 127.34 3mbe s TRP 41 Ca -0.06 0.32 0.00 0.00 0.02 0.00 0.00 56.10 56.38 3mbe s TRP 41 Cb -0.10 -2.09 0.00 0.00 -1.15 0.00 0.00 33.47 30.13 3mbe s TRP 41 CO -0.16 0.36 0.02 1.19 0.02 0.00 0.00 176.95 178.38 3mbe n PHE 42 N 3.16 1.11 -3.42 -1.98 3.01 0.43 -0.13 117.46 119.65 3mbe n PHE 42 Ca -0.17 -2.54 0.01 0.00 1.01 0.00 0.00 57.45 55.77 3mbe n PHE 42 Cb 0.53 -0.35 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 3mbe n PHE 42 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3mbe s GLN 43 N -3.88 0.57 -0.32 -1.08 -2.07 -0.90 -2.65 119.66 109.33 3mbe s GLN 43 Ca 0.01 1.25 -0.25 0.00 -1.82 0.00 0.00 55.36 54.55 3mbe s GLN 43 Cb -0.00 0.72 0.01 0.00 -1.09 0.00 0.00 33.01 32.65 3mbe s GLN 43 CO 0.01 -0.40 0.87 -1.14 -1.32 0.00 0.00 175.29 173.31 3mbe s GLN 44 N 2.88 3.95 0.00 9.60 0.74 -0.48 -2.72 119.66 133.63 3mbe s GLN 44 Ca 0.07 0.67 0.00 0.00 0.05 0.00 0.00 55.36 56.14 3mbe s GLN 44 Cb -0.13 -3.75 0.00 0.00 1.10 0.00 0.00 33.01 30.23 3mbe s GLN 44 CO -0.20 -0.77 0.00 0.27 -0.55 0.00 0.00 175.29 174.04 3mbe n ASN 45 N 6.43 -0.45 0.11 6.67 6.94 -1.05 -2.21 115.26 131.70 3mbe n ASN 45 Ca 0.06 -0.28 -0.03 0.00 -0.02 0.00 0.00 54.58 54.31 3mbe n ASN 45 Cb 0.48 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.94 3mbe n ASN 45 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 3mbe h HIS 46 N -0.95 0.00 -0.66 -2.53 3.86 -1.91 -3.22 115.15 109.74 3mbe h HIS 46 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 3mbe h HIS 46 Cb 0.00 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 3mbe h HIS 46 CO 0.00 0.76 0.21 0.00 0.86 0.00 0.00 177.93 179.75 3mbe h ARG 47 N 0.00 1.02 0.00 2.45 3.08 -2.02 -3.47 114.38 115.44 3mbe h ARG 47 Ca -0.01 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3mbe h ARG 47 Cb 1.41 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3mbe h ARG 47 CO 0.10 0.89 0.00 0.41 -1.07 0.00 0.00 179.97 180.30 3mbe n GLY 48 N -0.73 1.79 3.64 0.04 0.00 -1.22 -5.13 105.19 103.58 3mbe n GLY 48 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3mbe n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mbe s ARG 49 N -0.01 3.33 -0.22 1.61 3.52 -1.26 -4.90 118.95 121.03 3mbe s ARG 49 Ca 0.00 -0.41 -0.22 0.00 -0.13 0.00 0.00 55.73 54.96 3mbe s ARG 49 Cb 0.00 -2.91 -0.02 0.00 -1.56 0.00 0.00 34.95 30.47 3mbe s ARG 49 CO 0.00 0.52 0.71 -1.17 -0.81 0.00 0.00 175.30 174.55 3mbe s LEU 50 N -0.38 4.11 -0.19 -0.88 2.96 -1.26 -2.52 118.68 120.52 3mbe s LEU 50 Ca 0.07 0.91 0.01 0.00 -0.22 0.00 0.00 54.13 54.90 3mbe s LEU 50 Cb -0.12 -3.01 0.02 0.00 0.50 0.00 0.00 46.19 43.58 3mbe s LEU 50 CO 0.02 -0.37 -0.18 -0.51 -1.32 0.00 0.00 176.35 173.99 3mbe s ILE 51 N 2.31 2.14 0.18 6.68 -1.16 -1.10 -4.94 121.20 125.31 3mbe s ILE 51 Ca 0.31 -1.01 -0.31 0.00 -0.51 0.00 0.00 60.65 59.14 3mbe s ILE 51 Cb -0.16 -1.95 -0.09 0.00 0.61 0.00 0.00 42.46 40.87 3mbe s ILE 51 CO 0.10 0.46 1.45 0.42 -2.81 0.00 0.00 174.94 174.56 3mbe s THR 52 N 1.28 2.89 -0.20 4.00 -4.23 -1.26 -2.12 115.64 115.99 3mbe s THR 52 Ca 0.03 0.67 -0.04 0.00 -1.18 0.00 0.00 61.69 61.17 3mbe s THR 52 Cb -0.14 -3.43 -0.11 0.00 1.34 0.00 0.00 72.50 70.16 3mbe s THR 52 CO -0.11 0.07 -0.22 0.18 -0.54 0.00 0.00 174.62 174.00 3mbe n LEU 53 N 3.33 2.26 -3.87 4.79 4.77 0.82 -4.97 117.00 124.13 3mbe n LEU 53 Ca 0.10 0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 3mbe n LEU 53 Cb 0.41 -0.66 -0.12 0.00 -2.33 0.00 0.00 43.42 40.72 3mbe n LEU 53 CO 0.60 0.64 -0.26 -0.36 -1.33 0.00 0.00 177.39 176.68 3mbe s PHE 54 N -2.39 -0.02 -0.21 -1.77 2.99 -1.05 -4.98 117.98 110.55 3mbe s PHE 54 Ca -0.28 0.06 0.01 0.00 0.00 0.00 0.00 56.93 56.72 3mbe s PHE 54 Cb 0.09 -0.01 0.04 0.00 0.00 0.00 0.00 43.02 43.14 3mbe s PHE 54 CO 0.41 -0.11 -0.10 -0.47 -0.00 0.00 0.00 175.22 174.95 3mbe s TYR 55 N -0.43 2.49 -0.04 0.36 5.04 -1.26 -0.64 117.35 122.88 3mbe s TYR 55 Ca -0.05 -1.67 0.05 0.00 -2.44 0.00 0.00 57.07 52.96 3mbe s TYR 55 Cb -0.03 -1.67 -0.02 0.00 0.35 0.00 0.00 41.96 40.59 3mbe s TYR 55 CO 0.00 -0.76 -0.17 -0.51 -1.34 0.00 0.00 175.55 172.77 3mbe s LEU 56 N 1.37 2.58 -0.11 6.97 1.43 -0.55 -4.97 118.68 125.40 3mbe s LEU 56 Ca -0.02 -0.26 0.09 0.00 -1.03 0.00 0.00 54.13 52.90 3mbe s LEU 56 Cb -0.17 -1.51 -0.13 0.00 0.03 0.00 0.00 46.19 44.42 3mbe s LEU 56 CO -0.08 0.34 0.03 0.00 0.23 0.00 0.00 176.35 176.86 3mbe n ALA 57 N 2.31 1.73 -3.74 4.21 0.00 -1.26 -1.44 120.51 122.31 3mbe n ALA 57 Ca -0.17 -0.70 -0.05 0.00 0.00 0.00 0.00 53.44 52.52 3mbe n ALA 57 Cb 0.52 0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 3mbe n ALA 57 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3mbe s GLN 64 N -2.26 1.26 7.09 0.00 -2.07 -1.26 -4.84 119.66 117.58 3mbe s GLN 64 Ca -0.06 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 52.80 3mbe s GLN 64 Cb 0.03 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.39 3mbe s GLN 64 CO 0.43 -0.57 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 3mbe n GLY 65 N -0.45 2.95 3.09 2.60 0.00 -1.04 -4.75 105.19 107.58 3mbe n GLY 65 Ca -0.06 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 3mbe n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mbe s THR 66 N 0.00 0.16 0.14 2.61 -4.23 -1.26 0.16 115.64 113.22 3mbe s THR 66 Ca 0.00 -1.30 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 3mbe s THR 66 Cb 0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 3mbe s THR 66 CO 0.00 -0.72 -0.04 -0.54 -0.54 0.00 0.00 174.62 172.78 3mbe s LYS 67 N -2.89 1.00 -0.04 3.99 1.02 -0.21 -4.99 119.74 117.61 3mbe s LYS 67 Ca -0.03 -1.45 -0.03 0.00 0.02 0.00 0.00 55.97 54.49 3mbe s LYS 67 Cb 0.00 -0.30 0.02 0.00 -0.52 0.00 0.00 37.83 37.03 3mbe s LYS 67 CO -0.06 -0.06 0.11 -2.00 -0.92 0.00 0.00 175.35 172.42 3mbe s GLU 68 N -3.86 0.10 -0.36 1.68 2.12 -1.26 -1.20 118.70 115.92 3mbe s GLU 68 Ca 0.18 0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.70 3mbe s GLU 68 Cb 0.05 -0.01 0.13 0.00 0.26 0.00 0.00 34.13 34.56 3mbe s GLU 68 CO 0.00 -0.06 0.20 1.21 -0.54 0.00 0.00 175.26 176.08 3mbe s ASN 69 N 0.35 3.26 1.60 -1.70 2.47 0.12 -4.98 114.94 116.07 3mbe s ASN 69 Ca -0.02 -2.16 0.00 0.00 0.42 0.00 0.00 52.86 51.10 3mbe s ASN 69 Cb -0.04 -0.58 0.00 0.00 -1.45 0.00 0.00 41.25 39.19 3mbe s ASN 69 CO -0.01 -0.32 0.00 0.61 -3.72 0.00 0.00 177.10 173.66 3mbe n GLY 70 N 4.11 1.44 0.58 1.21 0.00 -1.26 -2.06 105.19 109.21 3mbe n GLY 70 Ca 0.08 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.36 3mbe n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mbe n ARG 78 N 0.00 1.77 -4.34 1.61 1.74 -1.26 -4.90 116.66 111.28 3mbe n ARG 78 Ca 0.00 -1.15 -0.25 0.00 -0.77 0.00 0.00 57.85 55.68 3mbe n ARG 78 Cb 0.00 -1.40 -0.12 0.00 -1.02 0.00 0.00 32.46 29.91 3mbe n ARG 78 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3mbe s LEU 79 N -1.59 2.36 -0.27 0.55 1.43 -0.87 -1.46 118.68 118.82 3mbe s LEU 79 Ca 0.33 -0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 52.45 3mbe s LEU 79 Cb 0.18 -0.97 0.07 0.00 0.03 0.00 0.00 46.19 45.50 3mbe s LEU 79 CO 0.27 0.06 0.70 -0.75 0.23 0.00 0.00 176.35 176.86 3mbe s LYS 80 N -2.28 0.77 0.09 1.70 2.20 -1.05 0.15 119.74 121.32 3mbe s LYS 80 Ca 0.12 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 3mbe s LYS 80 Cb -0.09 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 3mbe s LYS 80 CO 0.06 -0.13 -0.03 0.45 -0.36 0.00 0.00 175.35 175.34 3mbe s SER 81 N 1.02 0.79 0.09 1.43 0.15 -0.34 -0.87 113.70 115.95 3mbe s SER 81 Ca -0.05 -1.04 -0.01 0.00 0.70 0.00 0.00 55.95 55.55 3mbe s SER 81 Cb -0.05 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.38 3mbe s SER 81 CO -0.10 -0.56 0.01 0.42 1.20 0.00 0.00 173.24 174.22 3mbe s THR 82 N -3.80 0.17 -0.17 6.45 -4.23 -1.06 -1.05 115.64 111.96 3mbe s THR 82 Ca 0.12 -1.86 -0.07 0.00 -1.18 0.00 0.00 61.69 58.70 3mbe s THR 82 Cb 0.07 -1.77 0.07 0.00 1.34 0.00 0.00 72.50 72.21 3mbe s THR 82 CO -0.06 -0.75 0.38 0.12 -0.54 0.00 0.00 174.62 173.78 3mbe s PHE 83 N -3.98 -0.63 -0.29 3.99 5.99 0.12 -2.34 117.98 120.86 3mbe s PHE 83 Ca 0.15 1.29 0.00 0.00 0.00 0.00 0.00 56.93 58.37 3mbe s PHE 83 Cb 0.08 0.22 0.09 0.00 0.00 0.00 0.00 43.02 43.40 3mbe s PHE 83 CO -0.04 -0.39 0.04 1.21 -0.00 0.00 0.00 175.22 176.04 3mbe s ASN 84 N 1.96 4.04 0.17 6.13 2.47 -0.97 -2.51 114.94 126.22 3mbe s ASN 84 Ca -0.05 -1.55 -0.15 0.00 0.42 0.00 0.00 52.86 51.53 3mbe s ASN 84 Cb -0.10 -1.09 0.06 0.00 -1.45 0.00 0.00 41.25 38.66 3mbe s ASN 84 CO -0.12 -0.35 1.83 0.77 -3.72 0.00 0.00 177.10 175.51 3mbe h SER 84 N 7.96 0.53 -0.70 -4.21 4.64 -1.87 -0.48 113.55 119.42 3mbe h SER 84 Ca -0.13 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 3mbe h SER 84 Cb 1.04 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 3mbe h SER 84 CO 0.45 0.38 0.23 0.50 -0.87 0.00 0.00 176.83 177.53 3mbe h LYS 84 N 0.63 1.08 -0.25 4.77 3.64 -1.94 -2.57 116.57 121.93 3mbe h LYS 84 Ca 0.18 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3mbe h LYS 84 Cb -0.05 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3mbe h LYS 84 CO -0.05 0.92 0.00 0.39 -2.27 0.00 0.00 179.45 178.44 3mbe n GLU 84 N -4.31 2.02 -3.40 1.90 1.02 -1.09 -4.99 120.64 111.78 3mbe n GLU 84 Ca 0.05 -1.53 -0.20 0.00 -0.02 0.00 0.00 57.16 55.46 3mbe n GLU 84 Cb 0.21 -1.43 0.05 0.00 -0.02 0.00 0.00 31.44 30.26 3mbe n GLU 84 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mbe n ARG 85 N 0.76 -1.80 -3.67 3.49 1.74 -0.21 -4.94 116.66 112.03 3mbe n ARG 85 Ca 0.17 0.76 -0.05 0.00 -0.77 0.00 0.00 57.85 57.97 3mbe n ARG 85 Cb 0.43 -5.15 -0.02 0.00 -1.02 0.00 0.00 32.46 26.70 3mbe n ARG 85 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3mbe s TYR 86 N -3.38 -0.20 -0.28 -1.55 1.13 -1.16 -2.14 117.35 109.77 3mbe s TYR 86 Ca 0.43 -0.05 -0.19 0.00 -1.41 0.00 0.00 57.07 55.84 3mbe s TYR 86 Cb -0.09 0.60 0.08 0.00 -1.10 0.00 0.00 41.96 41.45 3mbe s TYR 86 CO 0.79 -0.72 0.72 0.45 -2.51 0.00 0.00 175.55 174.28 3mbe s SER 87 N -2.80 -0.85 0.30 -0.18 0.15 -0.30 -2.30 113.70 107.73 3mbe s SER 87 Ca 0.10 1.45 0.10 0.00 0.70 0.00 0.00 55.95 58.29 3mbe s SER 87 Cb -0.01 1.39 -0.05 0.00 -1.71 0.00 0.00 66.02 65.64 3mbe s SER 87 CO -0.02 -0.24 -0.06 0.42 1.20 0.00 0.00 173.24 174.55 3mbe s THR 88 N 1.16 2.79 -0.16 6.45 -4.23 -0.99 -1.58 115.64 119.08 3mbe s THR 88 Ca -0.06 -2.09 -0.05 0.00 -1.18 0.00 0.00 61.69 58.31 3mbe s THR 88 Cb -0.05 -2.66 0.06 0.00 1.34 0.00 0.00 72.50 71.19 3mbe s THR 88 CO -0.12 -0.30 0.11 -0.22 -0.54 0.00 0.00 174.62 173.54 3mbe s LEU 89 N -3.64 0.25 -0.21 4.79 2.96 -0.91 -2.56 118.68 119.36 3mbe s LEU 89 Ca 0.32 -0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 3mbe s LEU 89 Cb -0.03 -0.12 -0.03 0.00 0.50 0.00 0.00 46.19 46.51 3mbe s LEU 89 CO 0.18 -0.34 0.02 -2.28 -1.32 0.00 0.00 176.35 172.61 3mbe s HIS 90 N 2.17 3.06 -0.21 5.38 5.65 -0.05 -0.66 115.29 130.64 3mbe s HIS 90 Ca 0.03 -0.42 -0.06 0.00 0.25 0.00 0.00 55.06 54.86 3mbe s HIS 90 Cb -0.16 -2.12 -0.03 0.00 -1.18 0.00 0.00 32.58 29.10 3mbe s HIS 90 CO -0.09 -0.24 0.02 -1.50 -0.65 0.00 0.00 174.74 172.28 3mbe s ILE 91 N 1.10 4.14 -0.10 0.89 1.10 0.20 -2.51 121.20 126.02 3mbe s ILE 91 Ca 0.03 -0.25 0.00 0.00 -0.51 0.00 0.00 60.65 59.93 3mbe s ILE 91 Cb -0.14 -2.88 -0.02 0.00 0.15 0.00 0.00 42.46 39.56 3mbe s ILE 91 CO 0.02 0.41 -0.10 -0.54 -2.11 0.00 0.00 174.94 172.62 3mbe s LYS 92 N 1.05 3.05 -0.33 3.50 1.02 -0.54 -2.11 119.74 125.39 3mbe s LYS 92 Ca 0.03 -0.62 -0.11 0.00 0.02 0.00 0.00 55.97 55.29 3mbe s LYS 92 Cb -0.14 -2.61 0.01 0.00 -0.52 0.00 0.00 37.83 34.57 3mbe s LYS 92 CO 0.02 0.44 0.40 -3.47 -0.92 0.00 0.00 175.35 171.82 3mbe n ASP 93 N 2.89 -6.75 -4.75 2.83 2.03 -1.09 -4.78 116.55 106.93 3mbe n ASP 93 Ca -0.18 0.54 -0.41 0.00 0.52 0.00 0.00 54.79 55.26 3mbe n ASP 93 Cb 0.53 -4.50 -0.03 0.00 -0.72 0.00 0.00 41.12 36.40 3mbe n ASP 93 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mbe s ALA 94 N -2.12 3.52 0.37 -1.67 0.00 -0.99 -4.65 121.76 116.22 3mbe s ALA 94 Ca 0.17 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.29 3mbe s ALA 94 Cb -0.05 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.61 3mbe s ALA 94 CO 0.61 -0.55 0.14 1.04 0.00 0.00 0.00 175.76 177.00 3mbe n GLN 95 N 2.17 1.04 0.03 0.00 1.13 -1.26 -1.46 117.38 119.03 3mbe n GLN 95 Ca 0.05 -2.49 -0.10 0.00 -1.94 0.00 0.00 57.00 52.52 3mbe n GLN 95 Cb 0.42 0.48 -0.07 0.00 0.11 0.00 0.00 30.24 31.18 3mbe n GLN 95 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3mbe h LEU 96 N 0.00 -0.14 -0.59 1.08 3.38 -1.95 -3.24 115.31 113.85 3mbe h LEU 96 Ca -0.27 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3mbe h LEU 96 Cb 0.89 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3mbe h LEU 96 CO 0.44 0.47 0.29 -1.84 0.09 0.00 0.00 178.44 177.88 3mbe n GLU 97 N -4.86 0.06 -0.01 1.13 0.00 -1.26 -0.78 120.64 114.92 3mbe n GLU 97 Ca -0.07 0.48 0.09 0.00 0.00 0.00 0.00 57.16 57.67 3mbe n GLU 97 Cb 0.25 -1.99 0.53 0.00 0.00 0.00 0.00 31.44 30.24 3mbe n GLU 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3mbe n ASP 98 N -1.82 0.19 -3.06 -1.84 9.92 -1.22 -4.83 116.55 113.88 3mbe n ASP 98 Ca -0.01 -1.45 -0.16 0.00 -0.53 0.00 0.00 54.79 52.64 3mbe n ASP 98 Cb 0.30 -0.01 0.13 0.00 -0.64 0.00 0.00 41.12 40.90 3mbe n ASP 98 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3mbe n SER 99 N -0.66 -1.09 0.00 -2.24 7.64 0.04 -4.91 113.62 112.40 3mbe n SER 99 Ca 0.14 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 59.04 3mbe n SER 99 Cb 0.09 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 3mbe n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mbe n GLY 100 N -0.93 1.49 3.84 0.23 0.00 -1.06 -4.89 105.19 103.87 3mbe n GLY 100 Ca 0.08 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 3mbe n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mbe s THR 101 N -2.73 4.31 -0.01 2.61 2.01 -0.94 -2.34 115.64 118.55 3mbe s THR 101 Ca 0.00 0.81 0.05 0.00 0.31 0.00 0.00 61.69 62.86 3mbe s THR 101 Cb 0.00 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 3mbe s THR 101 CO 0.00 -0.92 -0.15 -0.31 -0.69 0.00 0.00 174.62 172.55 3mbe s TYR 102 N -3.00 1.32 -0.03 4.92 1.51 -1.17 -1.38 117.35 119.53 3mbe s TYR 102 Ca 0.57 -0.25 0.04 0.00 -1.01 0.00 0.00 57.07 56.42 3mbe s TYR 102 Cb -0.13 -0.85 -0.01 0.00 -0.11 0.00 0.00 41.96 40.87 3mbe s TYR 102 CO 0.51 -0.02 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.72 3mbe s PHE 103 N -0.35 1.37 -0.11 2.71 0.40 -1.09 -2.14 117.98 118.78 3mbe s PHE 103 Ca 0.06 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 3mbe s PHE 103 Cb -0.06 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.54 3mbe s PHE 103 CO -0.01 -0.09 -0.10 0.00 0.70 0.00 0.00 175.22 175.73 3mbe s ALA 105 N -0.08 3.19 0.04 0.00 0.00 0.71 -1.72 121.76 123.90 3mbe s ALA 105 Ca -0.01 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.87 3mbe s ALA 105 Cb -0.14 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 3mbe s ALA 105 CO 0.03 0.68 -0.13 0.00 0.00 0.00 0.00 175.76 176.34 3mbe s ALA 106 N -1.24 1.08 0.12 0.00 0.00 -0.59 -0.77 121.76 120.36 3mbe s ALA 106 Ca 0.23 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.24 3mbe s ALA 106 Cb -0.11 -0.14 -0.07 0.00 0.00 0.00 0.00 23.12 22.80 3mbe s ALA 106 CO 0.16 0.18 0.50 -2.00 0.00 0.00 0.00 175.76 174.60 3mbe s GLU 107 N -1.23 3.93 -0.11 0.00 2.12 0.44 -1.00 118.70 122.85 3mbe s GLU 107 Ca -0.00 0.42 -0.05 0.00 0.36 0.00 0.00 54.97 55.70 3mbe s GLU 107 Cb -0.08 -2.98 -0.02 0.00 0.26 0.00 0.00 34.13 31.31 3mbe s GLU 107 CO 0.01 0.52 -0.09 0.22 -0.54 0.00 0.00 175.26 175.38 3mbe h ASP 108 N 3.71 0.00 0.00 -1.70 3.58 -1.51 -3.00 116.42 117.50 3mbe h ASP 108 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 3mbe h ASP 108 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 3mbe h ASP 108 CO 0.66 0.56 0.00 0.61 -2.88 0.00 0.00 179.24 178.19 3mbe n GLY 109 N 1.71 1.30 0.07 -0.78 0.00 -0.59 -4.52 105.19 102.38 3mbe n GLY 109 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 3mbe n GLY 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3mbe h GLY 110 N 0.00 0.00 -7.52 -0.02 0.00 -1.91 -3.42 103.07 90.20 3mbe h GLY 110 Ca 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 47.33 46.58 3mbe h GLY 110 CO 0.00 0.00 0.10 -0.45 0.00 0.00 0.00 176.54 176.19 3mbe s SER 112 N -5.92 6.50 0.80 0.19 0.15 -1.26 -4.95 113.70 109.20 3mbe s SER 112 Ca -0.12 -3.40 0.00 0.00 0.70 0.00 0.00 55.95 53.13 3mbe s SER 112 Cb 0.01 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 3mbe s SER 112 CO 0.29 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.03 3mbe n GLY 113 N 2.88 -0.63 2.93 9.45 0.00 -1.26 -3.91 105.19 114.64 3mbe n GLY 113 Ca 0.19 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 3mbe n GLY 113 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mbe n ASN 114 N -2.27 4.61 -4.44 1.61 0.23 -1.26 -1.54 115.26 112.21 3mbe n ASN 114 Ca 0.00 -3.69 -0.33 0.00 -0.53 0.00 0.00 54.58 50.03 3mbe n ASN 114 Cb 0.00 -0.58 0.13 0.00 -2.08 0.00 0.00 39.78 37.25 3mbe n ASN 114 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3mbe n LYS 115 N -0.24 -0.43 -3.61 -3.83 4.76 -1.25 -4.27 118.16 109.29 3mbe n LYS 115 Ca 0.32 -0.08 -0.37 0.00 -2.87 0.00 0.00 58.31 55.30 3mbe n LYS 115 Cb 0.39 -1.91 -0.09 0.00 -1.84 0.00 0.00 35.03 31.58 3mbe n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3mbe s LEU 116 N -1.80 4.12 -0.36 -0.35 1.43 -1.26 -1.73 118.68 118.73 3mbe s LEU 116 Ca 0.58 0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.81 3mbe s LEU 116 Cb -0.21 -2.18 0.06 0.00 0.03 0.00 0.00 46.19 43.89 3mbe s LEU 116 CO 0.66 0.04 0.14 -0.63 0.23 0.00 0.00 176.35 176.78 3mbe s ILE 117 N 1.12 3.66 0.28 -0.59 -1.09 -0.17 -4.90 121.20 119.52 3mbe s ILE 117 Ca 0.10 -1.38 -0.13 0.00 -2.23 0.00 0.00 60.65 57.01 3mbe s ILE 117 Cb -0.14 -3.18 -0.08 0.00 -1.58 0.00 0.00 42.46 37.48 3mbe s ILE 117 CO 0.05 -0.32 0.67 -0.36 -1.23 0.00 0.00 174.94 173.75 3mbe s PHE 118 N 1.34 3.40 0.07 3.97 0.40 -1.26 -1.54 117.98 124.36 3mbe s PHE 118 Ca 0.00 1.10 -0.01 0.00 -0.60 0.00 0.00 56.93 57.42 3mbe s PHE 118 Cb -0.21 -2.44 0.02 0.00 0.51 0.00 0.00 43.02 40.90 3mbe s PHE 118 CO 0.01 0.17 0.09 0.41 0.70 0.00 0.00 175.22 176.59 3mbe n GLY 119 N -0.24 -1.52 2.09 4.36 0.00 -0.70 -4.87 105.19 104.31 3mbe n GLY 119 Ca 0.02 -1.61 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 3mbe n GLY 119 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mbe n THR 120 N -2.28 3.02 -1.36 2.61 -2.24 -1.26 -4.94 114.28 107.82 3mbe n THR 120 Ca 0.01 -1.88 0.15 0.00 -2.27 0.00 0.00 64.05 60.05 3mbe n THR 120 Cb 0.04 -0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 67.46 3mbe n THR 120 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mbe n GLY 121 N -0.81 -3.00 2.61 3.38 0.00 -1.26 -4.94 105.19 101.18 3mbe n GLY 121 Ca 0.52 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 3mbe n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mbe s THR 122 N -4.51 -0.12 -0.21 2.61 2.01 -0.91 -4.66 115.64 109.86 3mbe s THR 122 Ca 0.00 -1.16 -0.28 0.00 0.31 0.00 0.00 61.69 60.56 3mbe s THR 122 Cb 0.00 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 3mbe s THR 122 CO 0.00 -0.75 2.19 -0.22 -0.69 0.00 0.00 174.62 175.15 3mbe s LEU 123 N 1.54 3.49 -0.20 4.42 2.96 -1.00 -3.04 118.68 126.85 3mbe s LEU 123 Ca 0.15 1.90 -0.17 0.00 -0.22 0.00 0.00 54.13 55.79 3mbe s LEU 123 Cb -0.18 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3mbe s LEU 123 CO -0.12 -1.91 0.44 -0.22 -1.32 0.00 0.00 176.35 173.23 3mbe s LEU 124 N 8.08 4.16 -0.24 -0.68 2.96 -0.99 -0.62 118.68 131.35 3mbe s LEU 124 Ca 0.99 0.59 0.02 0.00 -0.22 0.00 0.00 54.13 55.51 3mbe s LEU 124 Cb -0.33 -2.59 0.05 0.00 0.50 0.00 0.00 46.19 43.82 3mbe s LEU 124 CO 0.35 -0.11 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.72 3mbe s SER 125 N 1.05 4.17 -0.71 3.68 0.01 -0.22 -2.56 113.70 119.12 3mbe s SER 125 Ca 0.21 -1.25 -0.12 0.00 1.31 0.00 0.00 55.95 56.10 3mbe s SER 125 Cb -0.15 -1.50 0.19 0.00 0.21 0.00 0.00 66.02 64.77 3mbe s SER 125 CO 0.09 -0.16 0.63 -0.69 0.41 0.00 0.00 173.24 173.51 3mbe s VAL 126 N 1.16 5.09 0.73 3.43 1.01 -1.26 -1.10 120.40 129.47 3mbe s VAL 126 Ca -0.06 -2.33 -0.15 0.00 0.00 0.00 0.00 61.98 59.44 3mbe s VAL 126 Cb -0.19 -4.21 0.04 0.00 0.00 0.00 0.00 36.38 32.03 3mbe s VAL 126 CO -0.06 -0.95 1.21 -0.54 0.00 0.00 0.00 175.10 174.75 3mbe s LYS 127 N 0.48 2.15 0.17 2.72 1.02 0.20 -4.74 119.74 121.72 3mbe s LYS 127 Ca 0.14 1.75 0.13 0.00 0.02 0.00 0.00 55.97 58.01 3mbe s LYS 127 Cb -0.17 -1.83 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 3mbe s LYS 127 CO -0.05 -1.83 1.22 -1.35 -0.92 0.00 0.00 175.35 172.42 3mbe h PRO 128 N -0.29 0.00 -4.27 -1.68 0.11 -1.96 -2.98 132.00 120.92 3mbe h PRO 128 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3mbe h PRO 128 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3mbe h PRO 128 CO 0.50 0.61 -0.22 -1.71 -0.21 0.00 0.00 178.00 176.97 3mbe n ASN 129 N -3.19 -5.29 -4.78 -2.05 5.15 -1.26 -4.64 115.26 99.20 3mbe n ASN 129 Ca -0.02 0.23 -0.38 0.00 -0.60 0.00 0.00 54.58 53.80 3mbe n ASN 129 Cb 0.84 -3.43 -0.06 0.00 -0.53 0.00 0.00 39.78 36.60 3mbe n ASN 129 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3mbe s ILE 130 N -2.12 4.28 -0.15 -1.44 -1.09 -1.26 -4.99 121.20 114.42 3mbe s ILE 130 Ca 0.11 1.77 0.02 0.00 -2.23 0.00 0.00 60.65 60.32 3mbe s ILE 130 Cb -0.03 -4.09 -0.11 0.00 -1.58 0.00 0.00 42.46 36.65 3mbe s ILE 130 CO 0.42 0.33 -0.12 1.67 -1.23 0.00 0.00 174.94 176.02 3mbe n GLN 131 N 1.06 0.57 -3.64 2.79 7.27 -1.26 -4.79 117.38 119.39 3mbe n GLN 131 Ca -0.02 0.08 -0.29 0.00 0.07 0.00 0.00 57.00 56.85 3mbe n GLN 131 Cb 0.49 -1.32 -0.09 0.00 2.41 0.00 0.00 30.24 31.73 3mbe n GLN 131 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3mbe n ASN 132 N -2.91 3.59 -4.67 1.69 3.02 -1.26 -5.08 115.26 109.64 3mbe n ASN 132 Ca -0.27 -3.32 -0.42 0.00 -0.03 0.00 0.00 54.58 50.54 3mbe n ASN 132 Cb 0.81 -0.76 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 3mbe n ASN 132 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3mbe s PRO 133 N -1.96 4.21 -0.53 3.52 0.02 -1.26 -4.95 135.00 134.06 3mbe s PRO 133 Ca 0.32 2.12 0.05 0.00 0.02 0.00 0.00 61.00 63.51 3mbe s PRO 133 Cb 0.04 -3.81 0.37 0.00 0.02 0.00 0.00 34.50 31.12 3mbe s PRO 133 CO -0.09 -0.75 1.00 0.39 -0.33 0.00 0.00 177.00 177.22 3mbe n GLU 134 N 6.43 3.23 -1.51 5.54 1.02 -1.18 -4.99 120.64 129.17 3mbe n GLU 134 Ca 0.16 -4.70 -0.38 0.00 -0.02 0.00 0.00 57.16 52.22 3mbe n GLU 134 Cb 0.43 -2.22 -0.13 0.00 -0.02 0.00 0.00 31.44 29.49 3mbe n GLU 134 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3mbe n PRO 135 N -0.31 0.19 -4.32 3.49 -0.01 -1.26 -4.69 135.00 128.09 3mbe n PRO 135 Ca 0.33 -0.02 -0.24 0.00 -0.01 0.00 0.00 63.50 63.57 3mbe n PRO 135 Cb 0.49 -1.83 -0.08 0.00 -0.01 0.00 0.00 33.50 32.07 3mbe n PRO 135 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3mbe s ALA 136 N 9.01 3.16 -0.01 3.55 0.00 -1.10 -2.41 121.76 133.95 3mbe s ALA 136 Ca 1.29 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 51.42 3mbe s ALA 136 Cb -1.03 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 21.58 3mbe s ALA 136 CO 0.45 0.16 -0.03 0.08 0.00 0.00 0.00 175.76 176.41 3mbe s VAL 137 N -2.45 0.30 0.09 0.00 1.01 -1.18 -1.42 120.40 116.76 3mbe s VAL 137 Ca 0.33 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.23 3mbe s VAL 137 Cb -0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 3mbe s VAL 137 CO 0.19 0.10 -0.13 -0.31 0.00 0.00 0.00 175.10 174.95 3mbe s TYR 138 N 0.10 1.21 -0.16 5.22 1.51 -0.59 -4.72 117.35 119.91 3mbe s TYR 138 Ca -0.01 -0.53 -0.07 0.00 -1.01 0.00 0.00 57.07 55.46 3mbe s TYR 138 Cb -0.04 -0.66 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 3mbe s TYR 138 CO -0.00 0.06 0.08 -1.14 -1.11 0.00 0.00 175.55 173.44 3mbe s GLN 139 N -2.18 3.82 0.13 -0.62 0.74 -1.26 -1.61 119.66 118.67 3mbe s GLN 139 Ca 0.02 -0.29 0.08 0.00 0.05 0.00 0.00 55.36 55.22 3mbe s GLN 139 Cb -0.07 -3.20 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 3mbe s GLN 139 CO 0.02 0.41 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.54 3mbe s LEU 140 N -0.02 2.90 0.06 3.68 1.43 0.20 -4.95 118.68 121.98 3mbe s LEU 140 Ca 0.07 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 3mbe s LEU 140 Cb -0.12 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3mbe s LEU 140 CO 0.01 0.16 -0.19 -0.54 0.23 0.00 0.00 176.35 176.01 3mbe s LYS 141 N -2.37 1.22 -0.59 1.70 1.02 -1.26 -1.23 119.74 118.23 3mbe s LYS 141 Ca 0.21 -0.95 -0.22 0.00 0.02 0.00 0.00 55.97 55.03 3mbe s LYS 141 Cb -0.10 -1.34 0.06 0.00 -0.52 0.00 0.00 37.83 35.93 3mbe s LYS 141 CO 0.13 0.33 0.88 0.34 -0.92 0.00 0.00 175.35 176.11 3mbe s ASP 142 N -1.33 6.24 0.01 2.83 2.15 -1.16 -4.91 116.67 120.50 3mbe s ASP 142 Ca 0.06 -0.77 0.01 0.00 0.43 0.00 0.00 52.55 52.27 3mbe s ASP 142 Cb -0.09 -2.40 0.03 0.00 -0.30 0.00 0.00 42.92 40.17 3mbe s ASP 142 CO 0.02 -1.25 0.94 -2.65 -0.17 0.00 0.00 175.17 172.06 3mbe n PRO 143 N 7.27 0.00 -0.58 4.34 -0.02 -1.26 -0.95 135.00 143.80 3mbe n PRO 143 Ca -0.03 0.42 0.03 0.00 -2.02 0.00 0.00 63.50 61.91 3mbe n PRO 143 Cb 0.46 -1.60 0.20 0.00 -0.02 0.00 0.00 33.50 32.54 3mbe n PRO 143 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3mbe n ARG 144 N -1.44 1.79 -3.28 -0.52 1.74 -1.26 -4.89 116.66 108.79 3mbe n ARG 144 Ca -0.00 -3.10 0.03 0.00 -0.77 0.00 0.00 57.85 54.01 3mbe n ARG 144 Cb 0.08 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.79 3mbe n ARG 144 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3mbe s SER 145 N -2.76 -0.56 0.10 0.55 0.15 -0.12 -5.09 113.70 105.97 3mbe s SER 145 Ca 0.40 0.58 -0.27 0.00 0.70 0.00 0.00 55.95 57.37 3mbe s SER 145 Cb 0.37 1.56 -0.12 0.00 -1.71 0.00 0.00 66.02 66.12 3mbe s SER 145 CO -0.01 -0.11 1.67 0.06 1.20 0.00 0.00 173.24 176.05 3mbe h GLN 146 N 7.67 -0.39 0.00 5.44 3.07 -1.90 -2.88 115.11 126.12 3mbe h GLN 146 Ca -0.15 0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.61 3mbe h GLN 146 Cb 1.14 0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.79 3mbe h GLN 146 CO 0.03 -0.26 0.00 -3.47 0.09 0.00 0.00 178.83 175.22 3mbe n ASP 147 N -5.31 0.00 -4.63 0.06 2.03 -1.26 -4.79 116.55 102.66 3mbe n ASP 147 Ca -0.08 -1.81 -0.42 0.00 0.52 0.00 0.00 54.79 53.00 3mbe n ASP 147 Cb 0.22 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.58 3mbe n ASP 147 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3mbe s SER 148 N -1.19 6.74 0.00 1.67 0.01 -1.09 -5.02 113.70 114.82 3mbe s SER 148 Ca 0.09 0.83 0.01 0.00 1.31 0.00 0.00 55.95 58.19 3mbe s SER 148 Cb 0.04 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.84 3mbe s SER 148 CO 0.07 -0.59 -0.05 0.42 0.41 0.00 0.00 173.24 173.51 3mbe s THR 149 N 2.94 0.35 -0.02 1.44 -4.23 -1.26 -3.01 115.64 111.85 3mbe s THR 149 Ca 0.34 -0.29 -0.10 0.00 -1.18 0.00 0.00 61.69 60.46 3mbe s THR 149 Cb -0.14 -0.32 0.01 0.00 1.34 0.00 0.00 72.50 73.39 3mbe s THR 149 CO 0.11 0.03 0.22 -0.22 -0.54 0.00 0.00 174.62 174.22 3mbe s LEU 150 N -0.28 1.21 -0.23 4.79 2.96 -0.37 -4.67 118.68 122.10 3mbe s LEU 150 Ca 0.00 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 3mbe s LEU 150 Cb -0.03 0.91 0.05 0.00 0.50 0.00 0.00 46.19 47.63 3mbe s LEU 150 CO -0.00 -0.34 -0.08 0.00 -1.32 0.00 0.00 176.35 174.61 3mbe s LEU 152 N 1.32 3.52 -0.44 0.00 0.20 -0.63 -2.27 118.68 120.38 3mbe s LEU 152 Ca -0.05 -0.11 -0.09 0.00 0.69 0.00 0.00 54.13 54.57 3mbe s LEU 152 Cb -0.18 -1.91 0.10 0.00 -0.43 0.00 0.00 46.19 43.76 3mbe s LEU 152 CO -0.07 0.06 0.30 0.12 -0.29 0.00 0.00 176.35 176.48 3mbe s PHE 153 N 1.03 3.38 0.33 5.38 5.36 -1.08 -1.54 117.98 130.85 3mbe s PHE 153 Ca 0.03 -1.70 0.00 0.00 -0.96 0.00 0.00 56.93 54.31 3mbe s PHE 153 Cb -0.14 -3.22 0.00 0.00 -0.34 0.00 0.00 43.02 39.33 3mbe s PHE 153 CO 0.03 -0.92 0.04 -2.37 -1.46 0.00 0.00 175.22 170.54 3mbe n THR 154 N 4.91 0.00 -0.19 0.12 5.66 -0.51 -1.79 114.28 122.48 3mbe n THR 154 Ca -0.09 -1.50 0.00 0.00 -3.05 0.00 0.00 64.05 59.41 3mbe n THR 154 Cb 0.42 0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 3mbe n THR 154 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3mbe n ASP 155 N -1.31 0.00 -4.07 1.09 8.00 -1.24 -2.70 116.55 116.32 3mbe n ASP 155 Ca -0.12 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.09 3mbe n ASP 155 Cb 0.41 -1.07 0.24 0.00 -0.02 0.00 0.00 41.12 40.67 3mbe n ASP 155 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3mbe s PHE 156 N -0.45 0.82 0.34 1.24 -0.71 -1.26 -3.12 117.98 114.84 3mbe s PHE 156 Ca 0.00 0.72 -0.05 0.00 -1.04 0.00 0.00 56.93 56.56 3mbe s PHE 156 Cb 0.00 -3.25 -0.05 0.00 -1.21 0.00 0.00 43.02 38.51 3mbe s PHE 156 CO 0.00 -3.85 0.62 0.34 -1.34 0.00 0.00 175.22 170.99 3mbe s ASP 157 N -3.45 6.41 0.13 1.98 -1.08 -1.26 -4.21 116.67 115.19 3mbe s ASP 157 Ca 0.69 0.77 -0.22 0.00 -0.52 0.00 0.00 52.55 53.28 3mbe s ASP 157 Cb -0.15 -2.17 -0.02 0.00 -1.46 0.00 0.00 42.92 39.13 3mbe s ASP 157 CO 0.58 -0.30 1.67 0.28 0.52 0.00 0.00 175.17 177.93 3mbe h SER 158 N 1.28 -0.42 -0.59 -0.34 0.02 -1.95 -3.12 113.55 108.42 3mbe h SER 158 Ca -0.48 0.09 0.12 0.00 -0.84 0.00 0.00 61.79 60.68 3mbe h SER 158 Cb 1.20 0.21 -0.11 0.00 0.14 0.00 0.00 62.40 63.84 3mbe h SER 158 CO 0.64 -0.17 -0.07 1.56 -1.14 0.00 0.00 176.83 177.65 3mbe h GLN 159 N -0.15 0.05 -6.73 3.45 1.08 -1.99 -3.44 115.11 107.39 3mbe h GLN 159 Ca 0.10 -0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.77 3mbe h GLN 159 Cb 0.29 -0.01 0.05 0.00 -0.05 0.00 0.00 27.48 27.76 3mbe h GLN 159 CO -0.24 0.04 0.73 0.96 -0.95 0.00 0.00 178.83 179.36 3mbe s ILE 160 N -6.19 2.79 -0.13 2.54 -4.36 -1.18 -4.97 121.20 109.70 3mbe s ILE 160 Ca -0.14 0.66 -0.25 0.00 -0.26 0.00 0.00 60.65 60.66 3mbe s ILE 160 Cb 0.18 -3.42 -0.02 0.00 1.25 0.00 0.00 42.46 40.45 3mbe s ILE 160 CO 0.73 0.11 0.81 0.20 0.24 0.00 0.00 174.94 177.03 3mbe s ASN 161 N 0.34 7.00 0.05 4.36 0.01 -1.26 -4.97 114.94 120.46 3mbe s ASN 161 Ca 0.58 1.22 -0.31 0.00 -0.71 0.00 0.00 52.86 53.65 3mbe s ASN 161 Cb -0.40 -2.45 -0.06 0.00 0.41 0.00 0.00 41.25 38.74 3mbe s ASN 161 CO 0.42 -0.31 1.27 -0.69 -1.51 0.00 0.00 177.10 176.28 3mbe s VAL 162 N 1.70 3.85 0.80 1.60 1.01 -1.26 -5.00 120.40 123.10 3mbe s VAL 162 Ca 0.39 1.30 -0.17 0.00 0.00 0.00 0.00 61.98 63.50 3mbe s VAL 162 Cb -0.17 -3.83 -0.12 0.00 0.00 0.00 0.00 36.38 32.25 3mbe s VAL 162 CO 0.15 0.07 -0.30 -2.65 0.00 0.00 0.00 175.10 172.38 3mbe n PRO 163 N 4.34 0.02 -4.35 2.72 -0.02 -1.26 -5.01 135.00 131.44 3mbe n PRO 163 Ca 0.10 0.02 -0.29 0.00 -2.02 0.00 0.00 63.50 61.31 3mbe n PRO 163 Cb 0.45 -1.19 -0.12 0.00 -0.02 0.00 0.00 33.50 32.62 3mbe n PRO 163 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3mbe s LYS 164 N -1.92 1.64 0.09 -0.52 1.02 -1.26 -4.95 119.74 113.84 3mbe s LYS 164 Ca 0.50 -1.24 -0.19 0.00 0.02 0.00 0.00 55.97 55.07 3mbe s LYS 164 Cb -0.31 -2.03 -0.07 0.00 -0.52 0.00 0.00 37.83 34.90 3mbe s LYS 164 CO 0.73 0.47 0.58 -0.08 -0.92 0.00 0.00 175.35 176.12 3mbe s THR 165 N -1.10 4.74 0.00 2.17 -1.32 -1.26 -4.95 115.64 113.92 3mbe s THR 165 Ca 0.16 1.17 0.00 0.00 -1.21 0.00 0.00 61.69 61.81 3mbe s THR 165 Cb -0.10 -3.88 0.00 0.00 -1.51 0.00 0.00 72.50 67.01 3mbe s THR 165 CO 0.08 0.49 0.00 1.15 -2.21 0.00 0.00 174.62 174.14 3mbe n MET 166 N 1.54 2.17 -2.60 7.08 0.00 -1.26 -5.02 117.12 119.03 3mbe n MET 166 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.36 3mbe n MET 166 Cb 0.51 -0.83 0.03 0.00 0.00 0.00 0.00 33.22 32.92 3mbe n MET 166 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 3mbe s GLU 167 N -1.42 2.86 0.05 3.17 -1.05 -1.26 -5.08 118.70 115.96 3mbe s GLU 167 Ca 0.00 -0.27 -0.13 0.00 -0.15 0.00 0.00 54.97 54.42 3mbe s GLU 167 Cb 0.00 -2.38 -0.06 0.00 -0.44 0.00 0.00 34.13 31.25 3mbe s GLU 167 CO 0.00 -0.61 0.42 -1.54 0.95 0.00 0.00 175.26 174.48 3mbe s SER 168 N -4.31 6.75 0.00 0.83 1.04 -1.26 -4.06 113.70 112.69 3mbe s SER 168 Ca 0.53 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.87 3mbe s SER 168 Cb -0.10 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.79 3mbe s SER 168 CO 0.42 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.49 3mbe n GLY 169 N 1.35 2.95 3.70 7.32 0.00 -1.26 -4.92 105.19 114.33 3mbe n GLY 169 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3mbe n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mbe s THR 170 N -1.90 5.27 0.04 2.61 2.01 -1.26 -1.77 115.64 120.64 3mbe s THR 170 Ca 0.00 0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.18 3mbe s THR 170 Cb 0.00 -3.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 3mbe s THR 170 CO 0.00 0.43 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.89 3mbe s PHE 171 N 0.46 0.95 0.01 4.92 0.40 -0.30 -4.68 117.98 119.74 3mbe s PHE 171 Ca 0.07 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 3mbe s PHE 171 Cb -0.12 -0.56 -0.01 0.00 0.51 0.00 0.00 43.02 42.84 3mbe s PHE 171 CO -0.01 -0.00 -0.02 0.42 0.70 0.00 0.00 175.22 176.31 3mbe s ILE 172 N -0.97 0.12 0.26 0.64 1.01 -1.26 -2.02 121.20 118.97 3mbe s ILE 172 Ca -0.02 -0.31 0.05 0.00 0.00 0.00 0.00 60.65 60.37 3mbe s ILE 172 Cb -0.08 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 3mbe s ILE 172 CO 0.01 -0.12 0.38 0.42 0.00 0.00 0.00 174.94 175.63 3mbe s THR 173 N -0.44 5.15 0.82 2.92 -4.23 -0.37 -4.83 115.64 114.66 3mbe s THR 173 Ca -0.04 -0.95 -0.12 0.00 -1.18 0.00 0.00 61.69 59.40 3mbe s THR 173 Cb -0.03 -3.82 0.09 0.00 1.34 0.00 0.00 72.50 70.07 3mbe s THR 173 CO -0.00 -0.33 1.16 -1.81 -0.54 0.00 0.00 174.62 173.10 3mbe s ASP 174 N -4.00 4.39 -1.03 3.99 1.01 -1.26 -4.39 116.67 115.38 3mbe s ASP 174 Ca 0.35 0.86 -0.23 0.00 0.71 0.00 0.00 52.55 54.24 3mbe s ASP 174 Cb -0.09 -1.40 0.04 0.00 1.01 0.00 0.00 42.92 42.48 3mbe s ASP 174 CO 0.30 -1.99 1.54 -1.59 0.21 0.00 0.00 175.17 173.64 3mbe s LYS 175 N -5.49 3.47 0.39 8.23 -2.85 -1.26 -4.68 119.74 117.55 3mbe s LYS 175 Ca 0.62 -1.08 -0.25 0.00 -1.00 0.00 0.00 55.97 54.26 3mbe s LYS 175 Cb -0.12 -5.33 -0.09 0.00 -2.06 0.00 0.00 37.83 30.23 3mbe s LYS 175 CO 0.50 -2.39 1.07 0.00 0.10 0.00 0.00 175.35 174.63 3mbe s VAL 177 N -1.58 1.94 0.42 0.00 1.01 -1.26 -2.60 120.40 118.34 3mbe s VAL 177 Ca 0.56 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3mbe s VAL 177 Cb -0.24 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3mbe s VAL 177 CO 0.30 0.55 0.11 -1.48 0.00 0.00 0.00 175.10 174.58 3mbe s LEU 178 N -0.50 2.05 -0.28 3.92 0.05 -0.04 -4.98 118.68 118.90 3mbe s LEU 178 Ca 0.07 -1.66 -0.10 0.00 0.05 0.00 0.00 54.13 52.49 3mbe s LEU 178 Cb -0.10 -0.22 0.12 0.00 -2.05 0.00 0.00 46.19 43.94 3mbe s LEU 178 CO -0.00 -0.91 0.60 -0.62 -0.55 0.00 0.00 176.35 174.88 3mbe s ASP 179 N -3.65 -0.94 0.14 1.48 2.15 -1.26 -1.69 116.67 112.89 3mbe s ASP 179 Ca 0.21 1.44 -0.10 0.00 0.43 0.00 0.00 52.55 54.53 3mbe s ASP 179 Cb 0.03 2.01 -0.06 0.00 -0.30 0.00 0.00 42.92 44.59 3mbe s ASP 179 CO 0.13 -0.22 0.47 -0.04 -0.17 0.00 0.00 175.17 175.34 3mbe s MET 180 N 2.70 3.82 0.51 4.34 -1.94 -1.25 -4.95 119.30 122.53 3mbe s MET 180 Ca -0.06 0.26 0.34 0.00 -1.71 0.00 0.00 55.69 54.52 3mbe s MET 180 Cb -0.11 -2.89 1.52 0.00 2.01 0.00 0.00 34.83 35.36 3mbe s MET 180 CO -0.18 0.47 2.00 1.57 -0.01 0.00 0.00 175.02 178.88 3mbe h LYS 181 N 3.32 0.00 0.00 2.03 5.09 -2.01 -3.36 116.57 121.64 3mbe h LYS 181 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.26 3mbe h LYS 181 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.51 3mbe h LYS 181 CO 0.67 0.00 0.00 0.00 -2.09 0.00 0.00 179.45 178.03 3mbe n ALA 182 N -2.01 0.00 -3.69 0.07 0.00 -1.26 -4.86 120.51 108.76 3mbe n ALA 182 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3mbe n ALA 182 Cb 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.55 3mbe n ALA 182 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3mbe s MET 183 N 0.00 0.23 -0.69 0.00 1.75 -1.26 -4.93 119.30 114.40 3mbe s MET 183 Ca 0.00 0.70 -0.04 0.00 -1.25 0.00 0.00 55.69 55.10 3mbe s MET 183 Cb 0.00 -0.03 0.04 0.00 2.84 0.00 0.00 34.83 37.67 3mbe s MET 183 CO 0.00 -0.21 0.09 -0.40 -0.65 0.00 0.00 175.02 173.85 3mbe n ASP 184 N 4.70 -0.01 -0.91 1.11 5.68 -1.26 -4.72 116.55 121.14 3mbe n ASP 184 Ca -0.17 -0.52 0.02 0.00 -0.50 0.00 0.00 54.79 53.62 3mbe n ASP 184 Cb 0.52 -0.66 0.13 0.00 -1.14 0.00 0.00 41.12 39.97 3mbe n ASP 184 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3mbe n SER 185 N -0.85 2.43 -4.67 -1.12 7.64 -1.26 -4.88 113.62 110.91 3mbe n SER 185 Ca -0.07 -2.28 -0.42 0.00 1.01 0.00 0.00 58.87 57.11 3mbe n SER 185 Cb 0.25 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 62.88 3mbe n SER 185 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3mbe s LYS 186 N -1.55 4.14 0.02 1.43 -0.14 -1.26 -3.82 119.74 118.55 3mbe s LYS 186 Ca 0.17 2.61 0.03 0.00 -1.36 0.00 0.00 55.97 57.41 3mbe s LYS 186 Cb 0.13 -3.99 -0.01 0.00 -1.68 0.00 0.00 37.83 32.27 3mbe s LYS 186 CO 0.05 -0.92 -0.09 0.45 -0.76 0.00 0.00 175.35 174.08 3mbe s SER 187 N 3.92 1.02 0.36 2.83 0.15 -0.68 -4.96 113.70 116.34 3mbe s SER 187 Ca 0.86 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.21 3mbe s SER 187 Cb -0.44 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 3mbe s SER 187 CO 0.40 0.01 0.00 0.59 1.20 0.00 0.00 173.24 175.44 3mbe n ASN 188 N 2.35 0.00 0.00 5.45 5.03 -1.26 -0.86 115.26 125.97 3mbe n ASN 188 Ca -0.16 -0.72 0.00 0.00 0.87 0.00 0.00 54.58 54.57 3mbe n ASN 188 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.32 3mbe n ASN 188 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3mbe n GLY 189 N 5.00 4.38 0.32 7.41 0.00 -1.07 -3.59 105.19 117.64 3mbe n GLY 189 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 3mbe n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mbe n ALA 190 N -1.33 0.05 -3.42 4.61 0.00 -0.74 -2.62 120.51 117.06 3mbe n ALA 190 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.09 3mbe n ALA 190 Cb 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 3mbe n ALA 190 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3mbe s ILE 191 N -0.94 0.02 0.09 0.00 1.09 -1.26 -2.62 121.20 117.58 3mbe s ILE 191 Ca 0.01 -0.14 -0.13 0.00 -1.10 0.00 0.00 60.65 59.30 3mbe s ILE 191 Cb -0.00 -0.81 0.02 0.00 -1.06 0.00 0.00 42.46 40.60 3mbe s ILE 191 CO 0.00 -0.07 0.29 0.00 -0.10 0.00 0.00 174.94 175.06 3mbe s ALA 192 N -0.72 -0.59 0.33 9.38 0.00 -0.96 -1.24 121.76 127.96 3mbe s ALA 192 Ca -0.08 -0.27 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 3mbe s ALA 192 Cb -0.03 0.53 0.03 0.00 0.00 0.00 0.00 23.12 23.64 3mbe s ALA 192 CO 0.05 -0.54 0.65 1.67 0.00 0.00 0.00 175.76 177.60 3mbe s TRP 193 N -3.55 0.28 0.00 0.00 -2.14 -0.86 -2.27 118.94 110.40 3mbe s TRP 193 Ca 0.02 -0.76 -0.28 0.00 2.66 0.00 0.00 56.10 57.74 3mbe s TRP 193 Cb 0.03 0.51 0.08 0.00 -3.10 0.00 0.00 33.47 30.98 3mbe s TRP 193 CO -0.10 -1.30 0.73 0.45 -2.66 0.00 0.00 176.95 174.08 3mbe s SER 194 N -3.06 -0.55 -0.53 -2.66 0.15 -1.25 -1.15 113.70 104.65 3mbe s SER 194 Ca 0.19 0.36 0.02 0.00 0.70 0.00 0.00 55.95 57.21 3mbe s SER 194 Cb -0.04 0.50 0.49 0.00 -1.71 0.00 0.00 66.02 65.26 3mbe s SER 194 CO 0.12 -0.68 1.79 -0.46 1.20 0.00 0.00 173.24 175.21 3mbe n ASN 195 N 0.34 6.11 -4.41 5.45 6.94 -0.73 -4.98 115.26 123.98 3mbe n ASN 195 Ca -0.16 -3.76 -0.35 0.00 -0.02 0.00 0.00 54.58 50.29 3mbe n ASN 195 Cb 0.60 -0.80 -0.13 0.00 -2.36 0.00 0.00 39.78 37.10 3mbe n ASN 195 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3mbe s GLN 196 N -3.66 3.56 0.00 -3.83 0.74 -1.26 -4.99 119.66 110.21 3mbe s GLN 196 Ca 0.59 -0.54 0.00 0.00 0.05 0.00 0.00 55.36 55.46 3mbe s GLN 196 Cb 0.48 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 31.50 3mbe s GLN 196 CO 0.02 -0.06 0.00 2.41 -0.55 0.00 0.00 175.29 177.11 3mbe n THR 197 N 4.45 0.00 -2.69 -0.34 -1.04 -1.26 -3.90 114.28 109.50 3mbe n THR 197 Ca -0.17 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.85 3mbe n THR 197 Cb 0.52 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.04 3mbe n THR 197 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3mbe s SER 198 N 0.00 -0.14 -0.30 8.00 0.01 -1.26 -5.15 113.70 114.87 3mbe s SER 198 Ca 0.00 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.20 3mbe s SER 198 Cb 0.00 0.17 0.08 0.00 0.21 0.00 0.00 66.02 66.49 3mbe s SER 198 CO 0.00 -0.01 -0.01 -0.36 0.41 0.00 0.00 173.24 173.27 3mbe s PHE 199 N 1.81 3.15 0.60 2.43 0.40 -1.25 -5.10 117.98 120.02 3mbe s PHE 199 Ca 0.16 -2.45 -0.16 0.00 -0.60 0.00 0.00 56.93 53.87 3mbe s PHE 199 Cb 0.06 -2.28 -0.12 0.00 0.51 0.00 0.00 43.02 41.19 3mbe s PHE 199 CO -0.15 -0.89 -0.92 0.25 0.70 0.00 0.00 175.22 174.21 3mbe n THR 200 N 4.44 0.00 1.74 0.64 -2.24 -1.26 -4.60 114.28 113.00 3mbe n THR 200 Ca -0.04 -0.02 0.15 0.00 -2.27 0.00 0.00 64.05 61.87 3mbe n THR 200 Cb 0.42 0.00 0.85 0.00 -2.10 0.00 0.00 70.33 69.50 3mbe n THR 200 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mbe n GLN 202 N -1.08 3.12 0.23 0.00 3.00 -1.26 -3.97 117.38 117.42 3mbe n GLN 202 Ca 0.20 -0.02 0.16 0.00 -0.01 0.00 0.00 57.00 57.33 3mbe n GLN 202 Cb 0.14 -0.99 0.74 0.00 0.00 0.00 0.00 30.24 30.12 3mbe n GLN 202 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 3mbe h ASP 203 N 0.00 0.00 0.00 1.08 3.58 -1.49 -0.10 116.42 119.49 3mbe h ASP 203 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3mbe h ASP 203 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 3mbe h ASP 203 CO 0.00 0.00 -0.70 2.30 -2.88 0.00 0.00 179.24 177.96 3mbe n ILE 204 N -2.72 0.00 0.09 2.25 -6.64 -1.24 -4.78 119.36 106.32 3mbe n ILE 204 Ca -0.00 0.00 -0.13 0.00 -1.77 0.00 0.00 62.75 60.85 3mbe n ILE 204 Cb 0.19 -0.69 -0.09 0.00 -1.44 0.00 0.00 39.64 37.61 3mbe n ILE 204 CO 0.00 0.00 0.00 -0.26 -1.77 0.00 0.00 176.55 174.52 3mbe h PHE 205 N 0.00 0.45 0.00 4.28 -1.00 -1.68 -3.44 116.94 115.54 3mbe h PHE 205 Ca 0.00 -0.29 0.00 0.00 2.81 0.00 0.00 57.97 60.49 3mbe h PHE 205 Cb 0.69 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.22 3mbe h PHE 205 CO 0.00 1.17 0.00 0.36 -1.61 0.00 0.00 178.31 178.23 3mbe n LYS 206 N -3.60 0.00 -0.09 1.51 2.85 -0.05 -3.58 118.16 115.20 3mbe n LYS 206 Ca -0.06 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.17 3mbe n LYS 206 Cb 0.93 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 35.30 3mbe n LYS 206 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3mbe n GLU 207 N 0.00 0.24 0.00 -1.58 4.71 -1.26 -4.60 120.64 118.15 3mbe n GLU 207 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 57.16 56.61 3mbe n GLU 207 Cb 0.00 -1.98 0.00 0.00 -1.01 0.00 0.00 31.44 28.45 3mbe n GLU 207 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3mbe n THR 208 N 4.61 0.00 -0.30 2.62 -2.24 -1.24 -4.84 114.28 112.89 3mbe n THR 208 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3mbe n THR 208 Cb 0.02 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 3mbe n THR 208 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3mbe n ASN 209 N 0.00 0.19 -4.31 3.42 4.13 -1.26 -5.14 115.26 112.29 3mbe n ASN 209 Ca 0.00 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.86 3mbe n ASN 209 Cb 0.00 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.25 3mbe n ASN 209 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mbe n ALA 210 N -3.00 -2.71 -1.38 5.41 0.00 -1.01 -4.86 120.51 112.96 3mbe n ALA 210 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3mbe n ALA 210 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 17.94 3mbe n ALA 210 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91