#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbe s HIS 6 N 0.00 1.24 0.05 -1.55 3.76 -1.26 -5.15 115.29 112.39 3mbe s HIS 6 Ca 0.00 -0.28 0.06 0.00 -0.15 0.00 0.00 55.06 54.69 3mbe s HIS 6 Cb 0.00 -0.83 -0.02 0.00 1.11 0.00 0.00 32.58 32.84 3mbe s HIS 6 CO 0.00 -0.07 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.60 3mbe s PHE 7 N -0.12 1.43 0.04 1.40 0.08 -1.26 -5.12 117.98 114.44 3mbe s PHE 7 Ca 0.01 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.70 3mbe s PHE 7 Cb -0.07 -0.84 -0.02 0.00 -0.57 0.00 0.00 43.02 41.52 3mbe s PHE 7 CO 0.00 0.07 -0.07 0.08 -0.10 0.00 0.00 175.22 175.20 3mbe s VAL 8 N -0.92 0.48 -0.02 -0.44 1.01 -1.26 -5.03 120.40 114.22 3mbe s VAL 8 Ca 0.03 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 3mbe s VAL 8 Cb -0.09 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.76 3mbe s VAL 8 CO 0.02 -0.38 0.04 -2.28 0.00 0.00 0.00 175.10 172.50 3mbe s HIS 9 N -1.34 -0.03 0.34 5.22 2.46 -1.26 0.43 115.29 121.12 3mbe s HIS 9 Ca -0.10 0.14 0.02 0.00 0.47 0.00 0.00 55.06 55.59 3mbe s HIS 9 Cb -0.10 -0.08 -0.01 0.00 -0.13 0.00 0.00 32.58 32.27 3mbe s HIS 9 CO 0.00 -0.06 0.08 1.04 -2.47 0.00 0.00 174.74 173.34 3mbe n GLN 10 N 3.54 0.77 -3.58 2.88 6.02 0.14 -4.97 117.38 122.18 3mbe n GLN 10 Ca -0.19 -2.76 -0.01 0.00 -0.01 0.00 0.00 57.00 54.03 3mbe n GLN 10 Cb 0.56 1.27 -0.06 0.00 1.02 0.00 0.00 30.24 33.03 3mbe n GLN 10 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3mbe s PHE 11 N -2.66 -0.63 -0.08 1.08 5.36 -1.26 -2.90 117.98 116.89 3mbe s PHE 11 Ca 0.12 1.20 0.03 0.00 -0.96 0.00 0.00 56.93 57.31 3mbe s PHE 11 Cb 0.01 0.38 0.01 0.00 -0.34 0.00 0.00 43.02 43.07 3mbe s PHE 11 CO 0.08 -0.31 -0.17 0.15 -1.46 0.00 0.00 175.22 173.51 3mbe s LYS 12 N 1.69 2.27 -0.31 10.12 1.02 -1.05 -4.97 119.74 128.52 3mbe s LYS 12 Ca -0.07 -0.62 -0.03 0.00 0.02 0.00 0.00 55.97 55.27 3mbe s LYS 12 Cb -0.05 -1.79 0.04 0.00 -0.52 0.00 0.00 37.83 35.52 3mbe s LYS 12 CO -0.16 0.10 0.03 0.20 -0.92 0.00 0.00 175.35 174.60 3mbe s GLY 13 N 0.50 1.77 -0.11 -3.33 0.00 -1.26 -1.33 107.32 103.56 3mbe s GLY 13 Ca -0.16 -1.71 -0.00 0.00 0.00 0.00 0.00 44.72 42.85 3mbe s GLY 13 CO 0.06 0.70 -0.08 -0.54 0.00 0.00 0.00 173.10 173.23 3mbe s GLU 14 N 1.31 3.16 -0.22 2.90 2.02 -0.69 -5.00 118.70 122.18 3mbe s GLU 14 Ca -0.03 -0.59 0.02 0.00 0.02 0.00 0.00 54.97 54.38 3mbe s GLU 14 Cb -0.19 -2.67 0.05 0.00 0.10 0.00 0.00 34.13 31.41 3mbe s GLU 14 CO -0.00 0.42 -0.12 0.00 0.02 0.00 0.00 175.26 175.58 3mbe s TYR 16 N 1.26 3.26 -0.19 0.00 2.02 0.97 -4.96 117.35 119.70 3mbe s TYR 16 Ca -0.03 0.14 -0.01 0.00 -0.37 0.00 0.00 57.07 56.80 3mbe s TYR 16 Cb -0.17 -2.32 0.01 0.00 -0.40 0.00 0.00 41.96 39.08 3mbe s TYR 16 CO -0.08 -0.06 -0.14 -0.06 -1.57 0.00 0.00 175.55 173.65 3mbe s PHE 17 N 1.39 2.85 -0.09 2.71 0.08 -1.26 -1.31 117.98 122.35 3mbe s PHE 17 Ca 0.07 -1.36 0.03 0.00 0.12 0.00 0.00 56.93 55.79 3mbe s PHE 17 Cb -0.15 -1.99 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 3mbe s PHE 17 CO 0.07 -0.70 -0.18 0.99 -0.10 0.00 0.00 175.22 175.30 3mbe s THR 18 N 1.35 1.62 -1.00 0.64 2.01 -0.39 -4.58 115.64 115.29 3mbe s THR 18 Ca 0.05 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 3mbe s THR 18 Cb -0.14 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 70.94 3mbe s THR 18 CO -0.09 0.46 0.55 -3.20 -0.69 0.00 0.00 174.62 171.65 3mbe n ASN 19 N 3.77 -4.74 0.00 3.53 2.85 -1.26 -2.82 115.26 116.58 3mbe n ASN 19 Ca -0.20 -0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.01 3mbe n ASN 19 Cb 0.52 -3.51 0.00 0.00 1.24 0.00 0.00 39.78 38.03 3mbe n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3mbe n GLY 20 N -1.36 2.13 0.08 8.20 0.00 -1.26 -3.26 105.19 109.72 3mbe n GLY 20 Ca -0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 3mbe n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mbe n THR 21 N 0.00 1.12 0.27 2.61 -2.24 -1.26 -4.47 114.28 110.31 3mbe n THR 21 Ca 0.00 -0.72 0.07 0.00 -2.27 0.00 0.00 64.05 61.13 3mbe n THR 21 Cb 0.00 -0.59 0.37 0.00 -2.10 0.00 0.00 70.33 68.01 3mbe n THR 21 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3mbe h GLN 22 N 0.00 0.00 -2.39 -0.78 4.20 -1.74 -3.32 115.11 111.08 3mbe h GLN 22 Ca -0.26 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.26 3mbe h GLN 22 Cb 1.72 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 29.19 3mbe h GLN 22 CO 0.04 0.00 -0.50 0.50 -0.67 0.00 0.00 178.83 178.19 3mbe s ARG 23 N -3.74 0.26 -0.02 1.46 6.06 -1.13 -5.05 118.95 116.79 3mbe s ARG 23 Ca -0.02 0.61 0.06 0.00 -2.50 0.00 0.00 55.73 53.88 3mbe s ARG 23 Cb 0.04 -0.37 -0.01 0.00 0.06 0.00 0.00 34.95 34.66 3mbe s ARG 23 CO 0.12 -0.48 -0.18 0.42 -2.50 0.00 0.00 175.30 172.68 3mbe s ILE 24 N 2.48 1.46 0.01 4.11 1.01 -1.25 -1.26 121.20 127.76 3mbe s ILE 24 Ca 0.06 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.95 3mbe s ILE 24 Cb -0.14 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 3mbe s ILE 24 CO -0.13 0.41 -0.10 -0.60 0.00 0.00 0.00 174.94 174.53 3mbe s ARG 25 N -0.41 0.73 -0.18 2.79 3.52 -0.43 -4.99 118.95 119.98 3mbe s ARG 25 Ca 0.07 -0.48 -0.01 0.00 -0.13 0.00 0.00 55.73 55.18 3mbe s ARG 25 Cb -0.07 -0.69 0.05 0.00 -1.56 0.00 0.00 34.95 32.68 3mbe s ARG 25 CO -0.01 0.18 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.46 3mbe s LEU 26 N -0.63 1.72 0.36 -0.88 2.96 -1.26 -0.02 118.68 120.92 3mbe s LEU 26 Ca 0.01 -0.79 0.07 0.00 -0.22 0.00 0.00 54.13 53.21 3mbe s LEU 26 Cb -0.05 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.71 3mbe s LEU 26 CO 0.00 -0.22 0.33 -0.69 -1.32 0.00 0.00 176.35 174.46 3mbe s VAL 27 N 1.63 3.35 -0.30 1.68 1.01 -0.50 -1.55 120.40 125.72 3mbe s VAL 27 Ca -0.01 -1.33 -0.04 0.00 0.00 0.00 0.00 61.98 60.60 3mbe s VAL 27 Cb -0.16 -3.15 0.18 0.00 0.00 0.00 0.00 36.38 33.25 3mbe s VAL 27 CO -0.07 -0.13 0.69 -0.89 0.00 0.00 0.00 175.10 174.69 3mbe s THR 28 N -2.34 -0.88 -0.22 3.92 2.01 -0.87 -1.71 115.64 115.55 3mbe s THR 28 Ca 0.43 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.43 3mbe s THR 28 Cb -0.06 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.48 3mbe s THR 28 CO 0.27 0.00 -0.12 -0.13 -0.69 0.00 0.00 174.62 173.96 3mbe s ARG 29 N 2.86 2.86 -0.21 4.92 0.52 -0.44 -1.72 118.95 127.74 3mbe s ARG 29 Ca 0.14 -0.94 -0.19 0.00 -0.52 0.00 0.00 55.73 54.22 3mbe s ARG 29 Cb -0.14 -2.83 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 3mbe s ARG 29 CO -0.19 -0.34 0.53 0.71 0.02 0.00 0.00 175.30 176.03 3mbe s TYR 30 N 1.30 3.35 -0.15 -0.53 1.51 -1.12 -2.53 117.35 119.18 3mbe s TYR 30 Ca 0.01 0.76 -0.00 0.00 -1.01 0.00 0.00 57.07 56.83 3mbe s TYR 30 Cb -0.16 -2.69 0.04 0.00 -0.11 0.00 0.00 41.96 39.04 3mbe s TYR 30 CO -0.07 -0.14 -0.07 0.42 -1.11 0.00 0.00 175.55 174.58 3mbe s ILE 31 N 1.77 1.16 0.21 2.71 1.01 -1.14 -2.12 121.20 124.80 3mbe s ILE 31 Ca 0.24 -0.56 -0.23 0.00 0.00 0.00 0.00 60.65 60.10 3mbe s ILE 31 Cb -0.15 -1.26 -0.08 0.00 0.01 0.00 0.00 42.46 40.97 3mbe s ILE 31 CO 0.09 0.22 0.77 -0.47 0.00 0.00 0.00 174.94 175.56 3mbe s TYR 32 N 1.63 3.77 0.00 3.97 5.04 -1.08 -0.68 117.35 129.99 3mbe s TYR 32 Ca 0.02 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.19 3mbe s TYR 32 Cb -0.14 -2.72 0.00 0.00 0.35 0.00 0.00 41.96 39.45 3mbe s TYR 32 CO -0.08 0.41 0.00 0.09 -1.34 0.00 0.00 175.55 174.62 3mbe n ASN 33 N 1.10 0.00 -0.13 4.32 3.02 0.17 0.37 115.26 124.11 3mbe n ASN 33 Ca -0.03 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.53 3mbe n ASN 33 Cb 0.50 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.69 3mbe n ASN 33 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3mbe n ARG 34 N 0.00 0.08 -3.50 3.52 3.00 -1.26 -4.72 116.66 113.77 3mbe n ARG 34 Ca 0.00 -0.86 -0.42 0.00 -0.00 0.00 0.00 57.85 56.57 3mbe n ARG 34 Cb 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 32.46 31.31 3mbe n ARG 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3mbe s GLU 35 N -0.39 2.80 0.21 -0.14 2.12 0.16 -5.06 118.70 118.40 3mbe s GLU 35 Ca 0.04 -1.36 -0.30 0.00 0.36 0.00 0.00 54.97 53.71 3mbe s GLU 35 Cb 0.03 -3.94 -0.09 0.00 0.26 0.00 0.00 34.13 30.38 3mbe s GLU 35 CO 0.04 -0.96 1.41 -2.00 -0.54 0.00 0.00 175.26 173.21 3mbe s GLU 36 N 1.54 4.30 0.00 4.30 2.12 -1.26 -2.63 118.70 127.07 3mbe s GLU 36 Ca 0.03 2.21 0.00 0.00 0.36 0.00 0.00 54.97 57.57 3mbe s GLU 36 Cb -0.23 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.01 3mbe s GLU 36 CO 0.05 -0.38 0.00 2.48 -0.54 0.00 0.00 175.26 176.86 3mbe n TYR 37 N 2.70 0.00 -4.46 5.30 4.11 -0.90 -4.14 117.16 119.77 3mbe n TYR 37 Ca 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.74 3mbe n TYR 37 Cb 0.41 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.65 3mbe n TYR 37 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 3mbe s LEU 38 N -2.46 2.59 -0.30 -3.48 2.96 -1.18 0.10 118.68 116.92 3mbe s LEU 38 Ca 0.00 -1.04 -0.15 0.00 -0.22 0.00 0.00 54.13 52.72 3mbe s LEU 38 Cb 0.00 -1.05 0.16 0.00 0.50 0.00 0.00 46.19 45.80 3mbe s LEU 38 CO 0.00 0.00 0.99 -0.60 -1.32 0.00 0.00 176.35 175.42 3mbe s ARG 39 N -3.53 0.31 -0.04 1.98 3.52 -1.02 -2.78 118.95 117.39 3mbe s ARG 39 Ca 0.29 0.71 -0.20 0.00 -0.13 0.00 0.00 55.73 56.40 3mbe s ARG 39 Cb -0.04 0.35 -0.05 0.00 -1.56 0.00 0.00 34.95 33.65 3mbe s ARG 39 CO 0.14 -0.09 0.57 0.12 -0.81 0.00 0.00 175.30 175.23 3mbe s PHE 40 N 2.16 3.63 -0.18 5.12 5.36 -0.70 -1.90 117.98 131.47 3mbe s PHE 40 Ca -0.04 1.12 -0.01 0.00 -0.96 0.00 0.00 56.93 57.04 3mbe s PHE 40 Cb -0.05 -2.60 0.05 0.00 -0.34 0.00 0.00 43.02 40.07 3mbe s PHE 40 CO -0.17 0.29 -0.02 0.34 -1.46 0.00 0.00 175.22 174.20 3mbe s ASP 41 N 0.09 2.91 0.38 6.13 -1.08 -1.24 -2.05 116.67 121.79 3mbe s ASP 41 Ca 0.30 -0.74 0.11 0.00 -0.52 0.00 0.00 52.55 51.71 3mbe s ASP 41 Cb -0.17 -0.82 0.90 0.00 -1.46 0.00 0.00 42.92 41.37 3mbe s ASP 41 CO 0.15 -0.23 1.87 0.77 0.52 0.00 0.00 175.17 178.26 3mbe h SER 42 N 8.15 0.57 0.35 -0.34 4.64 -1.64 0.36 113.55 125.65 3mbe h SER 42 Ca -0.20 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 3mbe h SER 42 Cb 1.11 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3mbe h SER 42 CO 0.37 0.28 -0.21 0.44 -0.87 0.00 0.00 176.83 176.84 3mbe h ASP 43 N 0.60 -0.53 -0.49 4.97 5.19 -1.94 -2.85 116.42 121.36 3mbe h ASP 43 Ca 0.44 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.90 3mbe h ASP 43 Cb 0.83 0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.47 3mbe h ASP 43 CO -0.19 -0.34 0.32 0.58 -3.12 0.00 0.00 179.24 176.48 3mbe h VAL 44 N -0.54 1.10 0.00 -1.35 2.07 -1.62 -3.47 116.25 112.44 3mbe h VAL 44 Ca -0.04 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3mbe h VAL 44 Cb 0.44 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3mbe h VAL 44 CO 0.04 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.36 3mbe n GLY 45 N -1.23 0.45 3.84 2.17 0.00 0.12 -5.05 105.19 105.49 3mbe n GLY 45 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 3mbe n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mbe s GLU 46 N -0.88 1.84 0.29 1.61 -1.05 -1.25 -4.99 118.70 114.27 3mbe s GLU 46 Ca 0.00 -1.07 -0.29 0.00 -0.15 0.00 0.00 54.97 53.46 3mbe s GLU 46 Cb 0.00 0.59 -0.10 0.00 -0.44 0.00 0.00 34.13 34.19 3mbe s GLU 46 CO 0.00 -0.85 1.09 0.71 0.95 0.00 0.00 175.26 177.17 3mbe s TYR 47 N -3.43 3.57 -0.05 4.83 2.02 -1.26 -3.73 117.35 119.30 3mbe s TYR 47 Ca 0.12 1.70 -0.01 0.00 -0.37 0.00 0.00 57.07 58.52 3mbe s TYR 47 Cb -0.05 -3.27 0.03 0.00 -0.40 0.00 0.00 41.96 38.27 3mbe s TYR 47 CO 0.08 -0.54 0.00 1.03 -1.57 0.00 0.00 175.55 174.55 3mbe s ARG 48 N -1.51 0.46 0.75 -0.62 1.81 -0.80 -4.90 118.95 114.14 3mbe s ARG 48 Ca 0.45 0.12 -0.15 0.00 -1.72 0.00 0.00 55.73 54.43 3mbe s ARG 48 Cb -0.31 -0.78 0.02 0.00 -0.45 0.00 0.00 34.95 33.43 3mbe s ARG 48 CO 0.40 -0.24 0.94 0.00 -0.68 0.00 0.00 175.30 175.72 3mbe n ALA 49 N 4.82 -0.46 0.00 2.13 0.00 -1.26 -2.43 120.51 123.30 3mbe n ALA 49 Ca -0.13 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3mbe n ALA 49 Cb 0.50 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3mbe n ALA 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3mbe n VAL 50 N -2.73 0.00 -4.39 0.00 0.31 0.12 -4.89 118.33 106.74 3mbe n VAL 50 Ca 0.12 -0.04 -0.22 0.00 -0.01 0.00 0.00 64.34 64.20 3mbe n VAL 50 Cb 0.50 0.42 -0.08 0.00 -0.91 0.00 0.00 33.84 33.76 3mbe n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3mbe s THR 51 N -0.39 0.33 -0.76 2.52 -4.23 -1.22 -4.91 115.64 106.98 3mbe s THR 51 Ca 0.00 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.71 3mbe s THR 51 Cb 0.00 -2.43 0.19 0.00 1.34 0.00 0.00 72.50 71.60 3mbe s THR 51 CO 0.00 0.00 1.62 1.21 -0.54 0.00 0.00 174.62 176.91 3mbe n GLU 52 N -0.74 0.10 -0.06 3.99 4.07 -1.26 -3.04 120.64 123.71 3mbe n GLU 52 Ca 0.00 0.30 -0.15 0.00 -0.06 0.00 0.00 57.16 57.26 3mbe n GLU 52 Cb 0.64 -1.68 -0.07 0.00 -0.06 0.00 0.00 31.44 30.28 3mbe n GLU 52 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3mbe h LEU 53 N 0.00 0.66 -4.05 4.31 5.85 -1.95 -3.20 115.31 116.94 3mbe h LEU 53 Ca 0.00 -0.56 -0.66 0.00 0.84 0.00 0.00 57.88 57.49 3mbe h LEU 53 Cb 0.35 -0.19 -0.31 0.00 0.37 0.00 0.00 40.66 40.87 3mbe h LEU 53 CO 0.00 1.10 0.58 0.61 -0.34 0.00 0.00 178.44 180.40 3mbe n GLY 54 N 0.45 5.94 0.10 3.75 0.00 -1.17 -4.70 105.19 109.57 3mbe n GLY 54 Ca -0.06 -2.39 -0.14 0.00 0.00 0.00 0.00 46.02 43.42 3mbe n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mbe h ARG 55 N 2.12 0.22 -0.00 1.61 2.43 -1.65 -3.26 114.38 115.86 3mbe h ARG 55 Ca 0.56 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 3mbe h ARG 55 Cb 0.87 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3mbe h ARG 55 CO 1.43 0.81 -0.55 0.72 -1.51 0.00 0.00 179.97 180.87 3mbe n HIS 56 N -4.56 0.00 -0.16 2.20 8.25 -1.26 -4.17 115.22 115.52 3mbe n HIS 56 Ca -0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.28 3mbe n HIS 56 Cb 0.43 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.40 3mbe n HIS 56 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3mbe h SER 57 N 0.48 0.71 -0.95 0.41 0.02 -1.87 -3.08 113.55 109.28 3mbe h SER 57 Ca 0.00 -0.24 0.10 0.00 -0.84 0.00 0.00 61.79 60.81 3mbe h SER 57 Cb 0.52 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.80 3mbe h SER 57 CO 0.00 0.77 0.61 0.00 -1.14 0.00 0.00 176.83 177.06 3mbe h ALA 58 N 0.97 1.57 -0.43 3.77 0.00 -1.72 0.50 119.26 123.92 3mbe h ALA 58 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3mbe h ALA 58 Cb 0.34 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3mbe h ALA 58 CO 0.00 0.22 0.21 0.93 0.00 0.00 0.00 179.25 180.61 3mbe h GLU 59 N 0.96 0.40 0.29 0.00 5.08 -1.78 -1.49 114.58 118.04 3mbe h GLU 59 Ca 0.45 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 3mbe h GLU 59 Cb 0.42 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3mbe h GLU 59 CO -0.21 0.27 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.01 3mbe h TYR 60 N 0.41 -0.36 -1.00 4.33 3.20 -0.94 -0.02 116.97 122.59 3mbe h TYR 60 Ca 0.19 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.25 3mbe h TYR 60 Cb 0.11 0.12 -0.11 0.00 1.54 0.00 0.00 36.73 38.39 3mbe h TYR 60 CO -0.11 -0.22 0.61 1.88 -1.64 0.00 0.00 178.16 178.68 3mbe h TYR 61 N -0.39 1.04 -0.55 -3.82 -1.99 -1.28 0.72 116.97 110.71 3mbe h TYR 61 Ca -0.04 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 3mbe h TYR 61 Cb 0.30 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 3mbe h TYR 61 CO 0.16 0.19 0.22 -0.91 -0.00 0.00 0.00 178.16 177.82 3mbe h ASN 62 N 0.71 0.76 0.46 3.88 2.35 -1.24 0.58 115.58 123.08 3mbe h ASN 62 Ca 0.60 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 56.15 3mbe h ASN 62 Cb 1.00 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.17 3mbe h ASN 62 CO -0.40 0.72 -0.22 0.50 -1.65 0.00 0.00 177.43 176.38 3mbe h LYS 63 N 0.75 -0.60 0.12 0.81 1.63 0.22 -3.18 116.57 116.33 3mbe h LYS 63 Ca 0.18 0.04 -0.25 0.00 -0.85 0.00 0.00 60.65 59.78 3mbe h LYS 63 Cb 0.20 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 3mbe h LYS 63 CO -0.01 -0.37 -1.22 1.96 -3.45 0.00 0.00 179.45 176.36 3mbe h GLN 64 N -0.68 0.25 -0.00 1.90 1.08 -0.15 -3.42 115.11 114.10 3mbe h GLN 64 Ca -0.06 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 3mbe h GLN 64 Cb 0.50 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 3mbe h GLN 64 CO 0.10 1.21 -0.17 0.66 -0.95 0.00 0.00 178.83 179.68 3mbe n TYR 66 N -4.00 0.00 -0.06 2.96 4.01 0.19 -4.74 117.16 115.51 3mbe n TYR 66 Ca -0.22 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.61 3mbe n TYR 66 Cb 0.87 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 40.36 3mbe n TYR 66 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3mbe h LEU 68 N 0.56 0.43 0.12 7.72 5.85 -1.21 -2.65 115.31 126.13 3mbe h LEU 68 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3mbe h LEU 68 Cb 0.20 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3mbe h LEU 68 CO 0.00 0.28 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.25 3mbe h GLU 69 N 0.50 -0.15 -0.48 1.25 4.81 -1.85 -2.85 114.58 115.80 3mbe h GLU 69 Ca 0.23 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 3mbe h GLU 69 Cb 0.30 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3mbe h GLU 69 CO -0.06 0.29 0.02 -0.09 -0.73 0.00 0.00 179.01 178.43 3mbe h ARG 70 N -0.68 0.84 -0.77 1.92 9.65 -1.90 -2.93 114.38 120.51 3mbe h ARG 70 Ca -0.02 -0.26 0.10 0.00 -1.10 0.00 0.00 59.98 58.70 3mbe h ARG 70 Cb 0.52 -0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.94 3mbe h ARG 70 CO 0.03 0.88 0.41 1.15 2.80 0.00 0.00 179.97 185.24 3mbe h THR 71 N 0.70 0.87 -0.11 0.20 2.02 -1.55 -1.06 112.91 113.97 3mbe h THR 71 Ca 0.14 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3mbe h THR 71 Cb 0.49 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3mbe h THR 71 CO 0.02 0.13 0.04 0.03 0.37 0.00 0.00 175.52 176.10 3mbe h ARG 72 N 0.69 0.15 0.00 6.66 3.08 -1.31 -1.41 114.38 122.24 3mbe h ARG 72 Ca 0.38 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.35 3mbe h ARG 72 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3mbe h ARG 72 CO -0.26 0.14 -0.82 0.00 -1.07 0.00 0.00 179.97 177.95 3mbe h ALA 73 N 1.89 0.67 -0.20 0.04 0.00 -1.28 -3.30 119.26 117.09 3mbe h ALA 73 Ca 0.04 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3mbe h ALA 73 Cb 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3mbe h ALA 73 CO -0.00 0.38 0.58 0.93 0.00 0.00 0.00 179.25 181.14 3mbe h GLU 74 N 0.00 0.00 -0.42 0.00 5.08 -0.07 0.76 114.58 119.93 3mbe h GLU 74 Ca -0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 3mbe h GLU 74 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 3mbe h GLU 74 CO 0.03 0.00 -0.10 1.25 -1.00 0.00 0.00 179.01 179.19 3mbe h LEU 75 N 0.00 0.72 0.00 1.33 6.46 -1.67 0.05 115.31 122.20 3mbe h LEU 75 Ca 0.09 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 3mbe h LEU 75 Cb 1.26 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 3mbe h LEU 75 CO -0.00 0.85 -1.37 0.47 -0.62 0.00 0.00 178.44 177.77 3mbe n ASP 76 N -4.18 0.80 -0.00 1.25 8.00 0.24 -1.48 116.55 121.19 3mbe n ASP 76 Ca 0.01 -0.44 0.08 0.00 0.71 0.00 0.00 54.79 55.15 3mbe n ASP 76 Cb 0.35 1.44 -0.10 0.00 -0.02 0.00 0.00 41.12 42.79 3mbe n ASP 76 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3mbe n THR 77 N -1.80 0.00 0.00 -3.53 -2.24 -0.03 -3.77 114.28 102.91 3mbe n THR 77 Ca -0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3mbe n THR 77 Cb 0.39 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3mbe n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mbe n ALA 78 N -1.58 2.84 -0.10 6.98 0.00 -0.03 -4.62 120.51 124.01 3mbe n ALA 78 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3mbe n ALA 78 Cb 0.31 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3mbe n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mbe h ARG 80 N 0.00 -0.01 0.77 0.00 9.65 -1.45 -1.37 114.38 121.97 3mbe h ARG 80 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 3mbe h ARG 80 Cb 0.00 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.59 3mbe h ARG 80 CO 0.00 -0.01 -0.37 1.25 2.80 0.00 0.00 179.97 183.64 3mbe h HIS 81 N -0.01 -0.96 -0.68 2.20 2.76 -1.69 -1.81 115.15 114.95 3mbe h HIS 81 Ca 0.34 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.62 3mbe h HIS 81 Cb 0.60 0.32 -0.09 0.00 1.55 0.00 0.00 27.41 29.78 3mbe h HIS 81 CO -0.86 -0.59 0.20 -0.91 -1.30 0.00 0.00 177.93 174.47 3mbe h ASN 82 N -1.05 0.12 0.74 3.26 4.21 -0.55 0.16 115.58 122.47 3mbe h ASN 82 Ca -0.11 0.12 -0.04 0.00 1.21 0.00 0.00 56.30 57.48 3mbe h ASN 82 Cb 0.80 0.13 0.01 0.00 -1.12 0.00 0.00 38.32 38.13 3mbe h ASN 82 CO 0.17 0.04 -0.36 0.22 -1.29 0.00 0.00 177.43 176.22 3mbe h TYR 83 N 0.34 -0.92 -0.40 1.19 5.03 -1.24 0.27 116.97 121.23 3mbe h TYR 83 Ca 0.37 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.66 3mbe h TYR 83 Cb 0.56 0.30 -0.02 0.00 1.55 0.00 0.00 36.73 39.13 3mbe h TYR 83 CO -0.22 -0.57 0.25 0.93 -1.32 0.00 0.00 178.16 177.23 3mbe h GLU 84 N -1.03 0.53 0.00 1.82 5.08 -0.97 0.10 114.58 120.11 3mbe h GLU 84 Ca -0.10 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 3mbe h GLU 84 Cb 0.76 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3mbe h GLU 84 CO 0.17 0.37 -1.60 0.39 -1.00 0.00 0.00 179.01 177.33 3mbe n GLU 85 N -4.46 0.88 0.00 2.33 -0.58 0.55 -4.55 120.64 114.80 3mbe n GLU 85 Ca 0.03 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3mbe n GLU 85 Cb 0.07 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 3mbe n GLU 85 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3mbe n THR 86 N -2.05 0.00 -0.05 2.62 -2.24 0.30 -4.73 114.28 108.12 3mbe n THR 86 Ca -0.07 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 3mbe n THR 86 Cb 0.46 -0.47 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 3mbe n THR 86 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mbe n GLU 87 N -1.44 0.66 -0.17 -0.78 -0.58 0.67 -3.74 120.64 115.27 3mbe n GLU 87 Ca 0.00 0.42 -0.02 0.00 -0.42 0.00 0.00 57.16 57.14 3mbe n GLU 87 Cb 0.27 -1.73 0.07 0.00 -0.57 0.00 0.00 31.44 29.49 3mbe n GLU 87 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3mbe h VAL 88 N -0.48 0.80 -0.00 2.62 2.07 -1.02 -1.22 116.25 119.02 3mbe h VAL 88 Ca -0.39 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3mbe h VAL 88 Cb 1.67 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3mbe h VAL 88 CO -0.07 0.06 -0.05 -2.65 0.02 0.00 0.00 177.57 174.88 3mbe n PRO 89 N -5.01 0.93 0.02 1.57 -0.02 -1.26 -3.60 135.00 127.62 3mbe n PRO 89 Ca 0.06 -0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 3mbe n PRO 89 Cb 0.22 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3mbe n PRO 89 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3mbe n THR 90 N -0.78 0.26 0.05 3.45 -2.24 -0.80 -4.70 114.28 109.52 3mbe n THR 90 Ca 0.18 0.09 -0.12 0.00 -2.27 0.00 0.00 64.05 61.92 3mbe n THR 90 Cb 0.24 -1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 67.38 3mbe n THR 90 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3mbe h SER 91 N 0.00 -0.14 0.18 3.42 0.02 -1.47 -3.05 113.55 112.51 3mbe h SER 91 Ca 0.00 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 3mbe h SER 91 Cb 0.00 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 3mbe h SER 91 CO 0.00 0.33 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.87 3mbe h LEU 92 N -0.65 0.00 -1.06 5.07 3.38 -1.61 -2.09 115.31 118.34 3mbe h LEU 92 Ca -0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3mbe h LEU 92 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3mbe h LEU 92 CO 0.03 0.08 -0.43 -0.09 0.09 0.00 0.00 178.44 178.11 3mbe h ARG 93 N 0.00 0.00 -6.36 1.13 2.43 -1.60 -3.45 114.38 106.54 3mbe h ARG 93 Ca -0.00 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.63 3mbe h ARG 93 Cb 0.19 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3mbe h ARG 93 CO 0.01 0.43 1.09 0.50 -1.51 0.00 0.00 179.97 180.49 3mbe s ARG 94 N -3.85 4.18 -0.06 0.20 3.52 -0.79 -5.00 118.95 117.14 3mbe s ARG 94 Ca -0.02 2.34 -0.01 0.00 -0.13 0.00 0.00 55.73 57.92 3mbe s ARG 94 Cb 0.13 -3.88 0.03 0.00 -1.56 0.00 0.00 34.95 29.67 3mbe s ARG 94 CO 0.72 -0.83 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.86 3mbe s LEU 94 N 3.60 0.76 -0.05 -0.88 1.43 -1.26 -4.34 118.68 117.95 3mbe s LEU 94 Ca 0.77 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.85 3mbe s LEU 94 Cb -0.38 -0.42 -0.01 0.00 0.03 0.00 0.00 46.19 45.40 3mbe s LEU 94 CO 0.33 -0.16 -0.24 -1.61 0.23 0.00 0.00 176.35 174.90 3mbe s GLU 95 N 1.72 2.46 0.10 1.70 0.41 0.45 -4.93 118.70 120.60 3mbe s GLU 95 Ca 0.01 -0.89 -0.20 0.00 -0.41 0.00 0.00 54.97 53.49 3mbe s GLU 95 Cb -0.13 -2.17 -0.07 0.00 -1.78 0.00 0.00 34.13 29.99 3mbe s GLU 95 CO -0.04 0.44 0.60 -0.65 -0.49 0.00 0.00 175.26 175.12 3mbe s GLN 96 N -0.31 4.24 0.85 1.61 -0.21 -1.26 -3.43 119.66 121.15 3mbe s GLN 96 Ca 0.01 0.78 -0.13 0.00 0.02 0.00 0.00 55.36 56.04 3mbe s GLN 96 Cb -0.13 -3.21 0.11 0.00 1.00 0.00 0.00 33.01 30.79 3mbe s GLN 96 CO 0.02 0.61 1.20 -2.14 -2.12 0.00 0.00 175.29 172.87 3mbe s PRO 97 N -1.20 1.60 -0.73 2.91 0.02 -1.26 -4.59 135.00 131.76 3mbe s PRO 97 Ca 0.31 0.02 0.04 0.00 0.02 0.00 0.00 61.00 61.39 3mbe s PRO 97 Cb -0.20 -1.92 0.22 0.00 0.02 0.00 0.00 34.50 32.63 3mbe s PRO 97 CO 0.20 -1.83 0.72 0.09 -0.33 0.00 0.00 177.00 175.85 3mbe n ASN 98 N -3.46 3.76 -4.65 2.53 3.02 0.13 -4.85 115.26 111.74 3mbe n ASN 98 Ca 0.09 -3.33 -0.43 0.00 -0.03 0.00 0.00 54.58 50.89 3mbe n ASN 98 Cb 0.61 -0.79 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 3mbe n ASN 98 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mbe s VAL 99 N -2.03 3.88 -0.28 2.41 1.01 -1.26 -3.07 120.40 121.06 3mbe s VAL 99 Ca 0.33 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.36 3mbe s VAL 99 Cb 0.05 -3.71 0.15 0.00 0.00 0.00 0.00 36.38 32.86 3mbe s VAL 99 CO -0.07 -0.13 0.37 0.00 0.00 0.00 0.00 175.10 175.26 3mbe s ALA 100 N 4.01 -0.96 0.21 5.51 0.00 -0.04 -5.00 121.76 125.49 3mbe s ALA 100 Ca 0.66 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 3mbe s ALA 100 Cb -0.27 -1.89 -0.09 0.00 0.00 0.00 0.00 23.12 20.87 3mbe s ALA 100 CO 0.24 -1.61 1.23 0.42 0.00 0.00 0.00 175.76 176.04 3mbe s ILE 101 N 2.49 3.36 0.00 0.00 1.01 -1.26 -2.59 121.20 124.21 3mbe s ILE 101 Ca 0.10 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.93 3mbe s ILE 101 Cb -0.14 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.58 3mbe s ILE 101 CO -0.27 0.21 0.00 -0.24 0.00 0.00 0.00 174.94 174.64 3mbe n SER 102 N 2.22 1.10 -3.67 3.58 2.88 -0.34 -4.98 113.62 114.41 3mbe n SER 102 Ca 0.04 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.48 3mbe n SER 102 Cb 0.44 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.81 3mbe n SER 102 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3mbe s LEU 103 N 0.00 -0.48 0.96 2.46 2.96 -1.26 -4.15 118.68 119.18 3mbe s LEU 103 Ca 0.00 1.21 -0.21 0.00 -0.22 0.00 0.00 54.13 54.92 3mbe s LEU 103 Cb 0.00 1.92 -0.16 0.00 0.50 0.00 0.00 46.19 48.45 3mbe s LEU 103 CO 0.00 -0.21 -1.08 -1.54 -1.32 0.00 0.00 176.35 172.20 3mbe n SER 104 N 3.95 -4.58 -0.14 3.68 3.41 0.84 -4.92 113.62 115.86 3mbe n SER 104 Ca -0.20 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.63 3mbe n SER 104 Cb 0.57 -0.62 0.22 0.00 -0.26 0.00 0.00 64.21 64.12 3mbe n SER 104 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3mbe n ARG 105 N 2.39 -0.03 -0.04 4.33 0.00 -1.26 -4.96 116.66 117.09 3mbe n ARG 105 Ca -0.02 0.61 0.00 0.00 -0.00 0.00 0.00 57.85 58.44 3mbe n ARG 105 Cb 0.62 -1.07 0.00 0.00 -0.00 0.00 0.00 32.46 32.01 3mbe n ARG 105 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 3mbe n HIS 112 N -4.10 0.00 -2.95 2.89 -0.00 -1.26 -5.10 115.22 104.70 3mbe n HIS 112 Ca 0.15 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.68 3mbe n HIS 112 Cb 0.50 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.57 3mbe n HIS 112 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3mbe n ASN 113 N 0.31 1.85 -3.72 4.39 3.02 0.17 -4.85 115.26 116.42 3mbe n ASN 113 Ca 0.00 -2.38 -0.17 0.00 -0.03 0.00 0.00 54.58 52.00 3mbe n ASN 113 Cb 0.00 -0.44 -0.17 0.00 -0.61 0.00 0.00 39.78 38.56 3mbe n ASN 113 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mbe s THR 114 N -2.49 -0.09 -1.16 3.41 2.01 -1.26 -0.45 115.64 115.61 3mbe s THR 114 Ca 0.58 0.30 -0.05 0.00 0.31 0.00 0.00 61.69 62.84 3mbe s THR 114 Cb -0.04 -0.14 0.25 0.00 0.01 0.00 0.00 72.50 72.57 3mbe s THR 114 CO 0.37 0.13 1.82 0.18 -0.69 0.00 0.00 174.62 176.43 3mbe n LEU 115 N 4.70 7.00 -4.51 4.42 4.77 -0.81 -0.12 117.00 132.45 3mbe n LEU 115 Ca -0.17 -5.07 -0.41 0.00 -0.03 0.00 0.00 56.01 50.32 3mbe n LEU 115 Cb 0.50 -1.31 -0.08 0.00 -2.33 0.00 0.00 43.42 40.21 3mbe n LEU 115 CO 0.14 1.78 2.03 0.52 -1.33 0.00 0.00 177.39 180.53 3mbe n VAL 116 N 1.50 0.02 -3.37 4.08 0.31 -1.26 -4.09 118.33 115.52 3mbe n VAL 116 Ca 0.41 -0.42 -0.45 0.00 -0.01 0.00 0.00 64.34 63.86 3mbe n VAL 116 Cb 0.31 -1.83 -0.04 0.00 -0.91 0.00 0.00 33.84 31.37 3mbe n VAL 116 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mbe s SER 118 N 2.53 6.47 -0.34 0.00 0.01 -1.07 -2.57 113.70 118.74 3mbe s SER 118 Ca 0.12 2.39 -0.01 0.00 1.31 0.00 0.00 55.95 59.77 3mbe s SER 118 Cb -0.18 -2.62 0.12 0.00 0.21 0.00 0.00 66.02 63.55 3mbe s SER 118 CO -0.04 -0.72 0.16 -0.69 0.41 0.00 0.00 173.24 172.37 3mbe s VAL 119 N -1.39 0.46 0.33 3.43 1.01 -0.42 -0.86 120.40 122.96 3mbe s VAL 119 Ca 0.57 -1.49 0.08 0.00 0.00 0.00 0.00 61.98 61.14 3mbe s VAL 119 Cb -0.32 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3mbe s VAL 119 CO 0.40 -0.82 0.11 0.42 0.00 0.00 0.00 175.10 175.20 3mbe s THR 120 N 1.39 3.01 -0.67 3.92 -4.23 -1.17 -2.20 115.64 115.68 3mbe s THR 120 Ca 0.13 -1.76 -0.07 0.00 -1.18 0.00 0.00 61.69 58.82 3mbe s THR 120 Cb -0.20 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.71 3mbe s THR 120 CO -0.16 -0.21 0.66 0.47 -0.54 0.00 0.00 174.62 174.84 3mbe n ASP 121 N -1.09 -7.04 -4.15 3.99 8.00 0.23 0.21 116.55 116.70 3mbe n ASP 121 Ca -0.04 -0.13 -0.13 0.00 0.71 0.00 0.00 54.79 55.20 3mbe n ASP 121 Cb 0.61 -4.28 -0.10 0.00 -0.02 0.00 0.00 41.12 37.33 3mbe n ASP 121 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3mbe s PHE 122 N -2.79 1.26 -0.28 1.24 -0.71 -1.18 -4.07 117.98 111.45 3mbe s PHE 122 Ca 0.09 -1.37 -0.23 0.00 -1.04 0.00 0.00 56.93 54.38 3mbe s PHE 122 Cb -0.02 -0.62 0.12 0.00 -1.21 0.00 0.00 43.02 41.29 3mbe s PHE 122 CO 0.80 -0.61 0.97 -0.47 -1.34 0.00 0.00 175.22 174.56 3mbe s TYR 123 N -4.04 -0.56 0.00 3.49 6.14 -1.22 -0.61 117.35 120.54 3mbe s TYR 123 Ca 0.39 1.29 0.00 0.00 0.64 0.00 0.00 57.07 59.39 3mbe s TYR 123 Cb 0.07 0.37 0.00 0.00 0.42 0.00 0.00 41.96 42.82 3mbe s TYR 123 CO 0.13 -0.27 0.00 -0.35 0.64 0.00 0.00 175.55 175.70 3mbe n PRO 124 N 2.71 2.70 0.00 4.97 -0.04 -1.26 -0.41 135.00 143.67 3mbe n PRO 124 Ca -0.14 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.42 3mbe n PRO 124 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.00 3mbe n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mbe n ALA 125 N -3.00 3.91 -2.18 0.55 0.00 -1.26 -4.88 120.51 113.64 3mbe n ALA 125 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 3mbe n ALA 125 Cb 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 3mbe n ALA 125 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3mbe s LYS 126 N -2.65 4.29 0.20 0.00 2.20 -1.26 -4.97 119.74 117.56 3mbe s LYS 126 Ca 0.15 2.03 -0.23 0.00 -0.36 0.00 0.00 55.97 57.56 3mbe s LYS 126 Cb 0.17 -3.46 0.05 0.00 -1.51 0.00 0.00 37.83 33.09 3mbe s LYS 126 CO 0.66 -0.53 0.91 -1.50 -0.36 0.00 0.00 175.35 174.53 3mbe s ILE 127 N 1.93 0.00 -0.20 5.43 2.07 -1.26 -4.35 121.20 124.82 3mbe s ILE 127 Ca 0.65 -0.75 -0.06 0.00 -1.41 0.00 0.00 60.65 59.08 3mbe s ILE 127 Cb -0.34 -2.13 0.09 0.00 0.13 0.00 0.00 42.46 40.22 3mbe s ILE 127 CO 0.28 0.00 0.41 -0.54 -1.91 0.00 0.00 174.94 173.18 3mbe s LYS 128 N -3.27 0.32 -0.65 3.50 1.02 0.33 -4.93 119.74 116.06 3mbe s LYS 128 Ca 0.13 0.98 0.03 0.00 0.02 0.00 0.00 55.97 57.13 3mbe s LYS 128 Cb -0.03 0.25 0.16 0.00 -0.52 0.00 0.00 37.83 37.69 3mbe s LYS 128 CO 0.04 -0.29 0.44 0.08 -0.92 0.00 0.00 175.35 174.69 3mbe s VAL 129 N 2.60 3.02 0.38 3.17 1.01 -1.26 0.11 120.40 129.42 3mbe s VAL 129 Ca -0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 61.98 58.16 3mbe s VAL 129 Cb -0.12 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3mbe s VAL 129 CO -0.13 -0.93 0.65 -0.13 0.00 0.00 0.00 175.10 174.56 3mbe s ARG 130 N -0.91 3.58 0.09 2.72 0.52 0.50 -4.88 118.95 120.58 3mbe s ARG 130 Ca 0.22 0.03 0.07 0.00 -0.52 0.00 0.00 55.73 55.52 3mbe s ARG 130 Cb -0.14 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 3mbe s ARG 130 CO -0.09 0.04 -0.11 -1.58 0.02 0.00 0.00 175.30 173.57 3mbe s TRP 131 N -2.39 2.72 0.05 -0.53 0.52 -1.26 -0.09 118.94 117.96 3mbe s TRP 131 Ca 0.45 -0.16 0.03 0.00 0.02 0.00 0.00 56.10 56.43 3mbe s TRP 131 Cb -0.10 -1.45 -0.03 0.00 -1.15 0.00 0.00 33.47 30.75 3mbe s TRP 131 CO 0.36 0.40 -0.09 -0.06 0.02 0.00 0.00 176.95 177.58 3mbe s PHE 132 N -1.16 0.81 -0.33 -1.98 0.40 -0.15 -2.24 117.98 113.33 3mbe s PHE 132 Ca 0.20 -0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 56.02 3mbe s PHE 132 Cb -0.11 -0.47 0.11 0.00 0.51 0.00 0.00 43.02 43.06 3mbe s PHE 132 CO 0.12 -0.05 0.14 0.50 0.70 0.00 0.00 175.22 176.63 3mbe s ARG 133 N -1.67 0.70 -1.42 0.44 3.52 0.14 -2.48 118.95 118.18 3mbe s ARG 133 Ca -0.08 -1.16 -0.09 0.00 -0.13 0.00 0.00 55.73 54.28 3mbe s ARG 133 Cb -0.10 -1.84 0.02 0.00 -1.56 0.00 0.00 34.95 31.48 3mbe s ARG 133 CO 0.01 -1.04 1.04 0.09 -0.81 0.00 0.00 175.30 174.58 3mbe n ASN 134 N 4.62 -6.14 0.00 -2.12 3.02 -0.32 -2.07 115.26 112.26 3mbe n ASN 134 Ca 0.00 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 3mbe n ASN 134 Cb 0.40 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 34.71 3mbe n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mbe n GLY 135 N -1.87 0.58 3.33 7.41 0.00 -1.26 -5.05 105.19 108.33 3mbe n GLY 135 Ca -0.01 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3mbe n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mbe s GLN 136 N -0.25 2.73 0.34 1.61 1.11 -0.88 -5.09 119.66 119.23 3mbe s GLN 136 Ca 0.00 -0.82 -0.27 0.00 0.01 0.00 0.00 55.36 54.29 3mbe s GLN 136 Cb 0.00 -2.31 -0.09 0.00 -1.01 0.00 0.00 33.01 29.60 3mbe s GLN 136 CO 0.00 0.39 1.09 -2.00 0.01 0.00 0.00 175.29 174.78 3mbe s GLU 137 N -0.16 4.37 -0.07 2.91 2.12 -1.26 0.28 118.70 126.90 3mbe s GLU 137 Ca -0.03 1.68 0.05 0.00 0.36 0.00 0.00 54.97 57.04 3mbe s GLU 137 Cb -0.14 -2.86 -0.00 0.00 0.26 0.00 0.00 34.13 31.39 3mbe s GLU 137 CO 0.04 0.00 -0.22 -1.21 -0.54 0.00 0.00 175.26 173.33 3mbe s GLU 138 N -1.98 2.43 0.00 4.30 0.41 -0.95 -4.89 118.70 118.01 3mbe s GLU 138 Ca 0.51 -0.79 0.00 0.00 -0.41 0.00 0.00 54.97 54.28 3mbe s GLU 138 Cb -0.28 -1.99 0.00 0.00 -1.78 0.00 0.00 34.13 30.08 3mbe s GLU 138 CO 0.35 0.27 0.32 0.25 -0.49 0.00 0.00 175.26 175.96 3mbe n THR 139 N 3.20 0.00 -4.07 3.63 -2.24 -1.26 -4.49 114.28 109.05 3mbe n THR 139 Ca -0.18 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 60.78 3mbe n THR 139 Cb 0.52 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.71 3mbe n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3mbe s VAL 140 N -0.33 4.88 0.00 2.28 1.01 -1.26 -4.39 120.40 122.59 3mbe s VAL 140 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3mbe s VAL 140 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3mbe s VAL 140 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3mbe n GLY 141 N 1.27 1.20 3.56 4.51 0.00 -1.26 -4.84 105.19 109.64 3mbe n GLY 141 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3mbe n GLY 141 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mbe n VAL 142 N 0.00 0.11 -2.54 1.61 0.31 -1.26 -3.94 118.33 112.62 3mbe n VAL 142 Ca 0.00 -0.60 -0.24 0.00 -0.01 0.00 0.00 64.34 63.49 3mbe n VAL 142 Cb 0.00 -2.56 0.11 0.00 -0.91 0.00 0.00 33.84 30.49 3mbe n VAL 142 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3mbe s SER 143 N 10.20 4.27 0.28 4.52 0.15 -1.25 -4.97 113.70 126.90 3mbe s SER 143 Ca 1.01 -0.31 -0.20 0.00 0.70 0.00 0.00 55.95 57.15 3mbe s SER 143 Cb -0.32 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 63.96 3mbe s SER 143 CO 0.32 -1.92 0.71 -0.55 1.20 0.00 0.00 173.24 173.01 3mbe s SER 144 N -4.74 -0.24 0.35 5.45 0.15 -1.26 -2.85 113.70 110.56 3mbe s SER 144 Ca 0.67 -0.65 0.09 0.00 0.70 0.00 0.00 55.95 56.75 3mbe s SER 144 Cb -0.05 0.73 -0.06 0.00 -1.71 0.00 0.00 66.02 64.93 3mbe s SER 144 CO 0.45 -1.36 -0.00 0.42 1.20 0.00 0.00 173.24 173.95 3mbe s THR 145 N -3.85 2.45 0.09 6.45 -4.23 -1.17 -4.97 115.64 110.41 3mbe s THR 145 Ca 0.12 -2.01 -0.30 0.00 -1.18 0.00 0.00 61.69 58.31 3mbe s THR 145 Cb -0.06 -2.80 -0.06 0.00 1.34 0.00 0.00 72.50 70.93 3mbe s THR 145 CO 0.07 -0.17 1.18 -1.10 -0.54 0.00 0.00 174.62 174.07 3mbe s GLN 146 N -3.70 4.46 -0.23 3.99 -0.21 -1.26 -4.82 119.66 117.88 3mbe s GLN 146 Ca 0.35 1.77 -0.26 0.00 0.02 0.00 0.00 55.36 57.23 3mbe s GLN 146 Cb 0.02 -3.33 -0.11 0.00 1.00 0.00 0.00 33.01 30.59 3mbe s GLN 146 CO 0.19 -0.19 0.86 -0.11 -2.12 0.00 0.00 175.29 173.92 3mbe n LEU 147 N 3.55 0.56 -4.56 2.90 0.00 -1.26 -4.87 117.00 113.32 3mbe n LEU 147 Ca 0.07 0.68 -0.40 0.00 0.00 0.00 0.00 56.01 56.37 3mbe n LEU 147 Cb 0.46 -0.51 -0.10 0.00 0.00 0.00 0.00 43.42 43.27 3mbe n LEU 147 CO 0.55 -0.60 -0.09 -0.63 0.00 0.00 0.00 177.39 176.63 3mbe s ILE 148 N 1.40 5.26 -0.37 1.96 1.01 -0.20 -4.98 121.20 125.28 3mbe s ILE 148 Ca 0.59 0.03 -0.24 0.00 0.00 0.00 0.00 60.65 61.03 3mbe s ILE 148 Cb -0.84 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 37.96 3mbe s ILE 148 CO 0.44 0.06 0.80 -0.60 0.00 0.00 0.00 174.94 175.65 3mbe s ARG 149 N 1.83 3.75 0.15 2.79 3.52 -1.26 -2.32 118.95 127.42 3mbe s ARG 149 Ca 0.08 0.34 0.01 0.00 -0.13 0.00 0.00 55.73 56.03 3mbe s ARG 149 Cb -0.17 -3.81 -0.04 0.00 -1.56 0.00 0.00 34.95 29.37 3mbe s ARG 149 CO 0.11 -0.87 1.35 -0.91 -0.81 0.00 0.00 175.30 174.16 3mbe h ASN 150 N 8.49 0.32 0.00 -2.12 2.35 -1.60 -3.48 115.58 119.54 3mbe h ASN 150 Ca -0.24 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 3mbe h ASN 150 Cb 1.09 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.36 3mbe h ASN 150 CO 0.92 1.07 0.00 0.61 -1.65 0.00 0.00 177.43 178.39 3mbe n GLY 151 N 0.93 2.84 1.65 2.83 0.00 -1.26 -4.87 105.19 107.31 3mbe n GLY 151 Ca -0.04 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 3mbe n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mbe n ASP 152 N 0.32 5.68 -1.72 1.61 5.68 -1.26 -4.76 116.55 122.10 3mbe n ASP 152 Ca 0.00 -2.68 -0.18 0.00 -0.50 0.00 0.00 54.79 51.43 3mbe n ASP 152 Cb 0.00 -1.07 -0.05 0.00 -1.14 0.00 0.00 41.12 38.87 3mbe n ASP 152 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3mbe n TRP 153 N 0.94 -0.40 -4.24 2.11 7.02 -1.26 -4.98 117.44 116.63 3mbe n TRP 153 Ca 0.13 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.46 3mbe n TRP 153 Cb 0.55 -3.35 -0.10 0.00 -2.42 0.00 0.00 31.31 25.98 3mbe n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 3mbe s THR 154 N -2.79 1.20 0.36 -0.99 -4.23 -1.26 -4.66 115.64 103.28 3mbe s THR 154 Ca 0.00 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 3mbe s THR 154 Cb 0.00 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.16 3mbe s THR 154 CO 0.00 -0.62 0.01 0.49 -0.54 0.00 0.00 174.62 173.96 3mbe n PHE 155 N 0.12 0.80 -3.63 3.99 3.72 0.22 -1.49 117.46 121.19 3mbe n PHE 155 Ca -0.13 -1.78 -0.03 0.00 -0.05 0.00 0.00 57.45 55.46 3mbe n PHE 155 Cb 0.59 -0.24 -0.04 0.00 -0.94 0.00 0.00 39.48 38.85 3mbe n PHE 155 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3mbe s GLN 156 N -3.31 0.14 -0.23 -1.08 -2.07 -0.98 0.78 119.66 112.91 3mbe s GLN 156 Ca 0.00 0.01 -0.26 0.00 -1.82 0.00 0.00 55.36 53.29 3mbe s GLN 156 Cb -0.00 0.07 0.07 0.00 -1.09 0.00 0.00 33.01 32.06 3mbe s GLN 156 CO 0.00 -0.05 0.71 0.54 -1.32 0.00 0.00 175.29 175.18 3mbe s VAL 157 N -1.32 0.00 -0.23 3.63 0.11 -0.94 -1.03 120.40 120.63 3mbe s VAL 157 Ca 0.08 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.10 3mbe s VAL 157 Cb -0.01 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.84 3mbe s VAL 157 CO -0.06 0.00 -0.04 -0.76 -3.33 0.00 0.00 175.10 170.91 3mbe s LEU 158 N 0.09 2.97 -0.70 2.54 1.43 -1.26 -1.30 118.68 122.45 3mbe s LEU 158 Ca -0.02 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3mbe s LEU 158 Cb -0.04 -1.73 0.18 0.00 0.03 0.00 0.00 46.19 44.63 3mbe s LEU 158 CO 0.03 -0.04 0.54 -0.69 0.23 0.00 0.00 176.35 176.41 3mbe s VAL 159 N 1.46 3.91 0.98 -1.59 1.01 -1.06 -3.05 120.40 122.05 3mbe s VAL 159 Ca 0.05 -3.21 -0.16 0.00 0.00 0.00 0.00 61.98 58.66 3mbe s VAL 159 Cb -0.15 -3.51 0.25 0.00 0.00 0.00 0.00 36.38 32.97 3mbe s VAL 159 CO -0.03 -0.94 0.57 0.23 0.00 0.00 0.00 175.10 174.92 3mbe n MET 160 N 3.17 -3.78 -3.11 2.72 2.81 -1.13 -3.23 117.12 114.57 3mbe n MET 160 Ca 0.12 -0.95 0.05 0.00 -1.81 0.00 0.00 57.70 55.10 3mbe n MET 160 Cb 0.38 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 3mbe n MET 160 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3mbe s LEU 161 N 0.00 -0.62 0.00 4.03 2.96 -1.26 -3.93 118.68 119.87 3mbe s LEU 161 Ca 0.44 0.02 -0.30 0.00 -0.22 0.00 0.00 54.13 54.06 3mbe s LEU 161 Cb -0.08 1.30 -0.05 0.00 0.50 0.00 0.00 46.19 47.86 3mbe s LEU 161 CO 0.37 -0.11 1.33 -0.70 -1.32 0.00 0.00 176.35 175.92 3mbe s GLU 162 N 2.79 4.32 0.23 1.98 2.56 -1.25 -1.93 118.70 127.39 3mbe s GLU 162 Ca 0.23 1.88 -0.22 0.00 0.00 0.00 0.00 54.97 56.86 3mbe s GLU 162 Cb -0.02 -3.52 0.04 0.00 2.00 0.00 0.00 34.13 32.63 3mbe s GLU 162 CO -0.22 -0.50 0.80 0.00 -0.56 0.00 0.00 175.26 174.78 3mbe s MET 163 N 2.09 1.58 -0.08 4.30 0.23 0.41 -4.82 119.30 123.00 3mbe s MET 163 Ca 0.61 -0.87 0.02 0.00 -1.03 0.00 0.00 55.69 54.42 3mbe s MET 163 Cb -0.30 0.54 -0.02 0.00 -1.53 0.00 0.00 34.83 33.52 3mbe s MET 163 CO 0.26 -0.72 -0.12 0.95 -2.03 0.00 0.00 175.02 173.36 3mbe s THR 164 N -3.70 3.21 -0.41 3.16 -4.23 -1.26 0.43 115.64 112.83 3mbe s THR 164 Ca 0.11 -0.64 -0.15 0.00 -1.18 0.00 0.00 61.69 59.83 3mbe s THR 164 Cb -0.04 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.51 3mbe s THR 164 CO 0.05 0.56 0.30 -2.16 -0.54 0.00 0.00 174.62 172.84 3mbe s PRO 165 N -0.33 2.96 0.10 3.99 0.05 -1.26 -5.04 135.00 135.48 3mbe s PRO 165 Ca 0.03 -1.05 -0.24 0.00 0.05 0.00 0.00 61.00 59.80 3mbe s PRO 165 Cb -0.13 -3.98 -0.07 0.00 0.05 0.00 0.00 34.50 30.38 3mbe s PRO 165 CO 0.02 -0.77 0.73 -1.01 0.05 0.00 0.00 177.00 176.03 3mbe s HIS 166 N 1.67 3.83 0.19 0.56 3.76 -1.26 -5.01 115.29 119.03 3mbe s HIS 166 Ca 0.05 1.51 -0.32 0.00 -0.15 0.00 0.00 55.06 56.15 3mbe s HIS 166 Cb -0.19 -2.74 -0.16 0.00 1.11 0.00 0.00 32.58 30.60 3mbe s HIS 166 CO 0.10 0.44 1.04 0.94 -0.85 0.00 0.00 174.74 176.40 3mbe n GLN 167 N 2.07 0.97 0.00 1.40 -0.06 -1.26 -2.07 117.38 118.42 3mbe n GLN 167 Ca -0.05 0.34 0.00 0.00 -2.00 0.00 0.00 57.00 55.29 3mbe n GLN 167 Cb 0.50 -1.75 0.00 0.00 -4.06 0.00 0.00 30.24 24.93 3mbe n GLN 167 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3mbe n GLY 168 N 1.81 2.17 3.75 1.69 0.00 -1.26 -5.03 105.19 108.32 3mbe n GLY 168 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3mbe n GLY 168 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mbe s GLU 169 N -0.49 4.58 -0.11 1.61 2.12 -0.88 -5.04 118.70 120.49 3mbe s GLU 169 Ca 0.00 1.82 -0.03 0.00 0.36 0.00 0.00 54.97 57.12 3mbe s GLU 169 Cb 0.00 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 3mbe s GLU 169 CO 0.00 0.09 0.02 0.54 -0.54 0.00 0.00 175.26 175.37 3mbe s VAL 170 N -0.68 4.45 0.37 3.70 0.11 -1.26 -4.51 120.40 122.58 3mbe s VAL 170 Ca 0.48 -0.18 0.08 0.00 -2.93 0.00 0.00 61.98 59.43 3mbe s VAL 170 Cb -0.32 -2.91 -0.07 0.00 -1.53 0.00 0.00 36.38 31.56 3mbe s VAL 170 CO 0.39 0.57 -0.02 -0.31 -3.33 0.00 0.00 175.10 172.40 3mbe s TYR 171 N -0.56 2.49 -0.21 1.54 2.02 -1.07 -1.17 117.35 120.39 3mbe s TYR 171 Ca 0.10 -0.55 -0.11 0.00 -0.37 0.00 0.00 57.07 56.13 3mbe s TYR 171 Cb -0.12 -1.59 0.07 0.00 -0.40 0.00 0.00 41.96 39.93 3mbe s TYR 171 CO 0.02 0.49 0.49 0.99 -1.57 0.00 0.00 175.55 175.97 3mbe s THR 172 N -2.63 -0.11 -0.37 -0.71 2.01 -1.04 -3.21 115.64 109.59 3mbe s THR 172 Ca 0.34 0.07 -0.15 0.00 0.31 0.00 0.00 61.69 62.27 3mbe s THR 172 Cb 0.05 -0.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.82 3mbe s THR 172 CO 0.18 0.03 0.31 0.00 -0.69 0.00 0.00 174.62 174.45 3mbe s HIS 174 N 1.85 3.30 -0.15 0.00 5.04 0.87 -2.38 115.29 123.82 3mbe s HIS 174 Ca 0.08 -1.45 -0.03 0.00 -1.54 0.00 0.00 55.06 52.12 3mbe s HIS 174 Cb -0.18 -2.61 -0.03 0.00 0.04 0.00 0.00 32.58 29.81 3mbe s HIS 174 CO 0.11 -0.78 -0.05 0.08 -2.34 0.00 0.00 174.74 171.77 3mbe s VAL 175 N 1.42 3.83 -0.13 0.89 1.01 -0.53 -0.37 120.40 126.52 3mbe s VAL 175 Ca 0.01 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3mbe s VAL 175 Cb -0.21 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.51 3mbe s VAL 175 CO 0.03 0.50 -0.20 -1.61 0.00 0.00 0.00 175.10 173.82 3mbe s GLU 176 N 0.27 3.13 0.08 2.72 2.02 0.12 -1.27 118.70 125.76 3mbe s GLU 176 Ca -0.04 -0.81 -0.07 0.00 0.02 0.00 0.00 54.97 54.07 3mbe s GLU 176 Cb -0.14 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 3mbe s GLU 176 CO 0.03 0.08 0.15 -1.58 0.02 0.00 0.00 175.26 173.96 3mbe s HIS 177 N 0.62 0.22 0.31 1.61 2.46 -1.26 -0.51 115.29 118.73 3mbe s HIS 177 Ca -0.11 -0.66 0.20 0.00 0.47 0.00 0.00 55.06 54.96 3mbe s HIS 177 Cb -0.16 -0.12 0.94 0.00 -0.13 0.00 0.00 32.58 33.10 3mbe s HIS 177 CO 0.03 -0.51 1.87 -1.35 -2.47 0.00 0.00 174.74 172.31 3mbe h PRO 178 N 2.85 0.00 0.00 2.88 0.11 -1.95 -2.87 132.00 133.02 3mbe h PRO 178 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3mbe h PRO 178 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3mbe h PRO 178 CO 0.58 0.29 0.00 -1.13 -0.21 0.00 0.00 178.00 177.53 3mbe n SER 179 N -3.75 0.00 -4.19 -2.05 3.41 -1.26 -4.67 113.62 101.11 3mbe n SER 179 Ca -0.01 0.17 -0.33 0.00 -0.26 0.00 0.00 58.87 58.43 3mbe n SER 179 Cb 0.39 -0.37 -0.16 0.00 -0.26 0.00 0.00 64.21 63.82 3mbe n SER 179 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mbe s LEU 180 N -2.73 2.35 0.00 1.04 1.43 -1.09 -4.83 118.68 114.85 3mbe s LEU 180 Ca 0.17 -0.56 -0.24 0.00 -1.03 0.00 0.00 54.13 52.47 3mbe s LEU 180 Cb 0.15 -1.54 -0.18 0.00 0.03 0.00 0.00 46.19 44.64 3mbe s LEU 180 CO 0.36 0.02 1.32 0.11 0.23 0.00 0.00 176.35 178.40 3mbe h LYS 181 N 7.77 0.10 -4.95 1.70 6.56 -1.84 -3.42 116.57 122.49 3mbe h LYS 181 Ca -0.41 -0.05 -0.65 0.00 -1.06 0.00 0.00 60.65 58.48 3mbe h LYS 181 Cb 1.16 -0.00 -0.24 0.00 -0.57 0.00 0.00 32.23 32.58 3mbe h LYS 181 CO 0.61 0.52 -0.65 0.45 -2.06 0.00 0.00 179.45 178.32 3mbe s SER 182 N -5.77 4.95 0.24 0.86 0.15 -1.26 -5.08 113.70 107.80 3mbe s SER 182 Ca -0.15 -0.29 -0.28 0.00 0.70 0.00 0.00 55.95 55.92 3mbe s SER 182 Cb 0.03 -1.88 -0.16 0.00 -1.71 0.00 0.00 66.02 62.30 3mbe s SER 182 CO 0.69 -0.05 0.77 -2.65 1.20 0.00 0.00 173.24 173.21 3mbe n PRO 183 N 4.89 0.67 -2.62 5.44 -0.02 -1.26 -4.94 135.00 137.17 3mbe n PRO 183 Ca -0.16 0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 61.18 3mbe n PRO 183 Cb 0.51 -1.43 -0.05 0.00 -0.02 0.00 0.00 33.50 32.51 3mbe n PRO 183 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mbe s ILE 184 N -1.01 3.87 -0.06 4.25 1.01 -0.40 -4.91 121.20 123.94 3mbe s ILE 184 Ca 0.62 1.51 -0.03 0.00 0.00 0.00 0.00 60.65 62.75 3mbe s ILE 184 Cb -0.82 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 37.86 3mbe s ILE 184 CO 0.58 0.09 0.14 0.42 0.00 0.00 0.00 174.94 176.17 3mbe s THR 185 N -1.59 -0.04 -0.07 2.92 -4.23 -1.26 -1.45 115.64 109.93 3mbe s THR 185 Ca 0.54 0.14 0.02 0.00 -1.18 0.00 0.00 61.69 61.20 3mbe s THR 185 Cb -0.22 -0.22 0.01 0.00 1.34 0.00 0.00 72.50 73.41 3mbe s THR 185 CO 0.28 0.06 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.60 3mbe s VAL 186 N 0.90 1.15 0.28 2.29 1.01 -1.00 -4.95 120.40 120.08 3mbe s VAL 186 Ca -0.07 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.51 3mbe s VAL 186 Cb -0.09 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3mbe s VAL 186 CO -0.04 0.36 0.16 -1.61 0.00 0.00 0.00 175.10 173.96 3mbe s GLU 187 N 0.73 2.67 -0.22 2.72 2.02 -1.26 -1.22 118.70 124.15 3mbe s GLU 187 Ca -0.13 -1.24 -0.13 0.00 0.02 0.00 0.00 54.97 53.48 3mbe s GLU 187 Cb -0.16 -2.40 0.07 0.00 0.10 0.00 0.00 34.13 31.74 3mbe s GLU 187 CO 0.03 0.30 0.54 -0.46 0.02 0.00 0.00 175.26 175.69 3mbe s TRP 188 N -2.25 -0.78 -0.19 1.61 -0.00 -1.20 -4.97 118.94 111.17 3mbe s TRP 188 Ca 0.34 1.65 0.01 0.00 -0.00 0.00 0.00 56.10 58.11 3mbe s TRP 188 Cb -0.06 0.40 0.01 0.00 -0.00 0.00 0.00 33.47 33.82 3mbe s TRP 188 CO 0.24 -0.41 0.55 -1.13 -0.00 0.00 0.00 176.95 176.20