#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bba h HIS 13 N 0.00 0.00 -3.19 1.57 2.07 -2.04 -3.36 115.15 110.20 2bba h HIS 13 Ca 0.00 0.00 -0.67 0.00 -2.85 0.00 0.00 60.37 56.85 2bba h HIS 13 Cb 0.00 0.00 -0.34 0.00 2.57 0.00 0.00 27.41 29.64 2bba h HIS 13 CO 0.00 0.00 -0.86 -1.01 -3.07 0.00 0.00 177.93 172.99 2bba s HIS 14 N -4.93 2.69 -0.03 6.12 4.02 -1.26 -5.11 115.29 116.80 2bba s HIS 14 Ca -0.05 -1.35 -0.30 0.00 1.02 0.00 0.00 55.06 54.38 2bba s HIS 14 Cb 0.17 -1.84 -0.04 0.00 -1.02 0.00 0.00 32.58 29.86 2bba s HIS 14 CO 0.64 -0.62 1.17 -1.01 1.02 0.00 0.00 174.74 175.94 2bba s HIS 15 N 0.87 3.30 0.22 1.40 0.09 -1.26 -4.98 115.29 114.94 2bba s HIS 15 Ca -0.05 1.29 -0.23 0.00 -0.00 0.00 0.00 55.06 56.07 2bba s HIS 15 Cb -0.15 -3.39 0.04 0.00 -0.00 0.00 0.00 32.58 29.08 2bba s HIS 15 CO -0.03 -1.15 0.79 -3.38 -0.00 0.00 0.00 174.74 170.98 2bba s HIS 16 N 1.84 -0.20 0.05 1.40 0.00 -0.21 -5.02 115.29 113.15 2bba s HIS 16 Ca 0.56 -0.18 -0.15 0.00 -3.00 0.00 0.00 55.06 52.29 2bba s HIS 16 Cb -0.25 0.67 -0.06 0.00 -4.00 0.00 0.00 32.58 28.94 2bba s HIS 16 CO 0.24 -1.06 0.46 -1.21 -1.00 0.00 0.00 174.74 172.17 2bba s GLU 17 N -3.68 3.95 -0.11 -0.38 2.02 -1.26 -0.48 118.70 118.77 2bba s GLU 17 Ca 0.10 0.44 0.02 0.00 0.02 0.00 0.00 54.97 55.56 2bba s GLU 17 Cb -0.04 -3.13 0.01 0.00 0.10 0.00 0.00 34.13 31.07 2bba s GLU 17 CO 0.04 0.62 -0.17 -2.00 0.02 0.00 0.00 175.26 173.76 2bba s GLU 18 N -1.38 2.42 0.14 1.61 2.56 -0.05 -4.93 118.70 119.07 2bba s GLU 18 Ca 0.29 -0.64 -0.30 0.00 0.00 0.00 0.00 54.97 54.31 2bba s GLU 18 Cb -0.16 -1.99 -0.07 0.00 2.00 0.00 0.00 34.13 33.91 2bba s GLU 18 CO 0.16 -0.01 1.08 0.99 -0.56 0.00 0.00 175.26 176.93 2bba s THR 19 N 0.82 4.06 -0.18 -1.70 2.01 -1.26 -1.23 115.64 118.15 2bba s THR 19 Ca -0.10 1.70 0.16 0.00 0.31 0.00 0.00 61.69 63.77 2bba s THR 19 Cb -0.16 -4.09 -0.22 0.00 0.01 0.00 0.00 72.50 68.05 2bba s THR 19 CO 0.01 0.26 0.06 0.18 -0.69 0.00 0.00 174.62 174.43 2bba n LEU 20 N 2.72 0.02 -3.64 4.42 4.77 0.15 -4.97 117.00 120.48 2bba n LEU 20 Ca 0.04 -0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 2bba n LEU 20 Cb 0.47 0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 41.92 2bba n LEU 20 CO 0.53 0.44 0.42 -0.22 -1.33 0.00 0.00 177.39 177.24 2bba s LEU 21 N -5.32 -0.82 -0.23 2.23 2.96 -1.10 -4.96 118.68 111.43 2bba s LEU 21 Ca -0.09 1.40 -0.04 0.00 -0.22 0.00 0.00 54.13 55.17 2bba s LEU 21 Cb 0.05 2.32 0.08 0.00 0.50 0.00 0.00 46.19 49.14 2bba s LEU 21 CO 0.73 -0.23 0.11 0.21 -1.32 0.00 0.00 176.35 175.85 2bba s ASN 22 N 1.19 3.00 0.52 3.68 3.84 -1.26 -0.72 114.94 125.19 2bba s ASN 22 Ca -0.06 -0.98 0.20 0.00 0.21 0.00 0.00 52.86 52.23 2bba s ASN 22 Cb -0.05 -0.32 1.31 0.00 -0.55 0.00 0.00 41.25 41.64 2bba s ASN 22 CO -0.13 -0.40 2.07 0.71 -2.79 0.00 0.00 177.10 176.56 2bba h THR 23 N 6.42 0.87 0.00 -5.21 1.35 -1.63 -1.63 112.91 113.07 2bba h THR 23 Ca -0.18 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2bba h THR 23 Cb 1.08 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2bba h THR 23 CO 0.37 0.01 0.00 0.11 -0.25 0.00 0.00 175.52 175.76 2bba h LYS 24 N 0.03 0.00 -0.02 4.72 1.57 -1.88 -2.24 116.57 118.76 2bba h LYS 24 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2bba h LYS 24 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2bba h LYS 24 CO -0.01 0.00 -0.29 1.28 -0.57 0.00 0.00 179.45 179.86 2bba n LEU 25 N -2.46 1.81 -4.69 2.94 4.77 -0.61 -4.89 117.00 113.86 2bba n LEU 25 Ca 0.00 -0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 54.95 2bba n LEU 25 Cb 0.17 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2bba n LEU 25 CO 0.18 0.33 1.22 -0.70 -1.33 0.00 0.00 177.39 177.09 2bba s GLU 26 N -2.37 4.24 0.01 3.23 2.56 -0.84 -4.91 118.70 120.62 2bba s GLU 26 Ca 0.24 2.14 0.22 0.00 0.00 0.00 0.00 54.97 57.57 2bba s GLU 26 Cb 0.19 -3.59 -0.19 0.00 2.00 0.00 0.00 34.13 32.55 2bba s GLU 26 CO 0.49 -0.65 0.79 0.25 -0.56 0.00 0.00 175.26 175.58 2bba n THR 27 N 4.70 0.06 0.00 -1.70 -2.24 -1.26 -4.67 114.28 109.17 2bba n THR 27 Ca 0.14 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2bba n THR 27 Cb 0.42 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 2bba n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bba n ALA 28 N -1.87 0.00 -2.79 6.98 0.00 -1.26 -5.12 120.51 116.45 2bba n ALA 28 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2bba n ALA 28 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 2bba n ALA 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bba s ASP 29 N 0.84 5.65 0.32 0.00 1.01 -1.26 -4.87 116.67 118.36 2bba s ASP 29 Ca 0.00 0.06 0.08 0.00 0.71 0.00 0.00 52.55 53.41 2bba s ASP 29 Cb 0.00 -1.57 0.55 0.00 1.01 0.00 0.00 42.92 42.91 2bba s ASP 29 CO 0.00 0.20 1.76 -0.07 0.21 0.00 0.00 175.17 177.27 2bba h LEU 30 N 3.51 0.20 2.25 1.23 3.38 -1.98 -3.47 115.31 120.44 2bba h LEU 30 Ca -0.47 -0.07 -0.35 0.00 0.09 0.00 0.00 57.88 57.08 2bba h LEU 30 Cb 1.17 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 2bba h LEU 30 CO 0.66 0.55 -0.43 2.29 0.09 0.00 0.00 178.44 181.60 2bba n LYS 31 N -4.07 -1.36 -1.89 1.13 -0.00 -1.26 -4.88 118.16 105.83 2bba n LYS 31 Ca -0.01 0.88 -0.33 0.00 -0.00 0.00 0.00 58.31 58.84 2bba n LYS 31 Cb 0.43 -5.31 0.03 0.00 -0.00 0.00 0.00 35.03 30.19 2bba n LYS 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2bba s TRP 32 N -2.84 2.66 -0.11 5.58 0.52 -1.26 -4.89 118.94 118.61 2bba s TRP 32 Ca 0.00 1.55 -0.12 0.00 0.02 0.00 0.00 56.10 57.55 2bba s TRP 32 Cb 0.00 -3.18 -0.05 0.00 -1.15 0.00 0.00 33.47 29.09 2bba s TRP 32 CO 0.00 -1.61 0.26 0.08 0.02 0.00 0.00 176.95 175.70 2bba s VAL 33 N -2.23 5.30 0.29 4.03 1.01 -0.76 -4.88 120.40 123.16 2bba s VAL 33 Ca 0.68 0.49 0.11 0.00 0.00 0.00 0.00 61.98 63.26 2bba s VAL 33 Cb -0.21 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2bba s VAL 33 CO 0.38 0.52 -0.10 0.42 0.00 0.00 0.00 175.10 176.32 2bba s THR 34 N -0.46 2.79 -0.15 3.92 -4.23 -1.26 -0.54 115.64 115.71 2bba s THR 34 Ca 0.17 -2.17 -0.23 0.00 -1.18 0.00 0.00 61.69 58.28 2bba s THR 34 Cb -0.14 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.19 2bba s THR 34 CO 0.06 -0.35 0.59 0.12 -0.54 0.00 0.00 174.62 174.50 2bba s PHE 35 N -2.46 -0.61 -1.77 3.99 5.36 -0.73 -4.55 117.98 117.21 2bba s PHE 35 Ca 0.31 1.33 0.08 0.00 -0.96 0.00 0.00 56.93 57.69 2bba s PHE 35 Cb -0.04 0.26 0.24 0.00 -0.34 0.00 0.00 43.02 43.14 2bba s PHE 35 CO 0.17 -0.40 1.15 -0.35 -1.46 0.00 0.00 175.22 174.33 2bba n PRO 36 N 2.09 1.75 -3.34 10.12 -0.04 -1.26 -0.63 135.00 143.70 2bba n PRO 36 Ca -0.16 -0.98 -0.17 0.00 -0.04 0.00 0.00 63.50 62.15 2bba n PRO 36 Cb 0.56 -1.31 0.08 0.00 -0.04 0.00 0.00 33.50 32.79 2bba n PRO 36 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2bba n GLN 37 N 0.26 -6.29 -3.49 0.54 6.02 -1.26 -5.03 117.38 108.12 2bba n GLN 37 Ca 0.09 0.75 -0.23 0.00 -0.01 0.00 0.00 57.00 57.60 2bba n GLN 37 Cb 0.29 -5.49 0.02 0.00 1.02 0.00 0.00 30.24 26.08 2bba n GLN 37 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2bba s VAL 38 N -3.31 1.92 0.20 5.09 -7.23 -1.26 -5.00 120.40 110.82 2bba s VAL 38 Ca 0.18 -1.26 -0.32 0.00 -1.81 0.00 0.00 61.98 58.77 2bba s VAL 38 Cb -0.08 -2.19 -0.15 0.00 0.56 0.00 0.00 36.38 34.52 2bba s VAL 38 CO 0.65 0.00 1.23 0.47 -0.31 0.00 0.00 175.10 177.14 2bba n ASP 39 N -1.97 1.80 0.00 4.85 8.00 -1.26 -1.66 116.55 126.31 2bba n ASP 39 Ca 0.06 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.71 2bba n ASP 39 Cb 0.63 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.44 2bba n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bba n GLY 40 N 2.02 0.68 3.54 0.44 0.00 -1.26 -5.00 105.19 105.61 2bba n GLY 40 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2bba n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bba n GLN 41 N -2.00 0.32 -1.62 1.61 10.64 -0.66 -4.53 117.38 121.14 2bba n GLN 41 Ca 0.00 0.16 -0.45 0.00 -1.83 0.00 0.00 57.00 54.88 2bba n GLN 41 Cb 0.00 -2.04 -0.02 0.00 -0.86 0.00 0.00 30.24 27.32 2bba n GLN 41 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 2bba n TRP 42 N -2.62 1.58 -4.98 2.61 7.02 -1.26 -4.82 117.44 114.98 2bba n TRP 42 Ca 0.11 0.64 -0.27 0.00 -1.02 0.00 0.00 57.50 56.96 2bba n TRP 42 Cb 0.50 -2.31 -0.16 0.00 -2.42 0.00 0.00 31.31 26.92 2bba n TRP 42 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2bba s GLU 43 N -1.32 1.75 -0.08 -0.99 2.12 -0.11 -4.97 118.70 115.10 2bba s GLU 43 Ca 0.61 -0.71 -0.23 0.00 0.36 0.00 0.00 54.97 55.00 2bba s GLU 43 Cb -0.69 -1.62 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 2bba s GLU 43 CO 0.58 0.39 0.67 -2.00 -0.54 0.00 0.00 175.26 174.36 2bba s GLU 44 N -0.33 4.41 0.02 4.30 2.12 -1.26 -1.05 118.70 126.91 2bba s GLU 44 Ca 0.04 0.81 0.03 0.00 0.36 0.00 0.00 54.97 56.21 2bba s GLU 44 Cb -0.09 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 2bba s GLU 44 CO 0.00 0.05 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.17 2bba s LEU 45 N 0.86 2.13 -0.00 2.70 1.43 -0.19 -4.98 118.68 120.63 2bba s LEU 45 Ca 0.35 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 2bba s LEU 45 Cb -0.17 -0.40 -0.06 0.00 0.03 0.00 0.00 46.19 45.59 2bba s LEU 45 CO 0.16 -0.01 1.47 -0.55 0.23 0.00 0.00 176.35 177.65 2bba s SER 46 N -0.89 6.79 0.10 2.29 0.15 -1.26 -1.11 113.70 119.77 2bba s SER 46 Ca -0.01 2.17 0.00 0.00 0.70 0.00 0.00 55.95 58.81 2bba s SER 46 Cb -0.06 -2.56 -0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2bba s SER 46 CO 0.00 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.28 2bba n GLY 47 N 3.76 4.07 3.16 9.45 0.00 0.70 -4.94 105.19 121.39 2bba n GLY 47 Ca 0.14 -2.22 -0.27 0.00 0.00 0.00 0.00 46.02 43.66 2bba n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bba s LEU 48 N 0.00 1.95 0.00 0.99 1.43 -1.26 -0.94 118.68 120.85 2bba s LEU 48 Ca 0.00 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 2bba s LEU 48 Cb 0.00 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 45.17 2bba s LEU 48 CO 0.00 0.18 0.01 -0.90 0.23 0.00 0.00 176.35 175.86 2bba n ASP 49 N 3.08 0.01 0.19 2.29 5.68 -0.31 -4.91 116.55 122.58 2bba n ASP 49 Ca -0.18 -1.01 0.14 0.00 -0.50 0.00 0.00 54.79 53.24 2bba n ASP 49 Cb 0.53 -0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.16 2bba n ASP 49 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2bba h GLU 50 N 0.00 0.00 -0.61 0.11 5.08 -2.02 -1.80 114.58 115.34 2bba h GLU 50 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bba h GLU 50 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2bba h GLU 50 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 2bba n GLU 51 N -2.48 2.69 -1.96 2.33 1.02 -1.26 -4.95 120.64 116.03 2bba n GLU 51 Ca -0.00 -2.49 -0.15 0.00 -0.02 0.00 0.00 57.16 54.50 2bba n GLU 51 Cb 0.14 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 2bba n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bba n GLN 52 N 1.43 -1.16 -3.57 3.49 -0.00 -0.68 -5.01 117.38 111.88 2bba n GLN 52 Ca 0.21 0.85 -0.32 0.00 -0.00 0.00 0.00 57.00 57.74 2bba n GLN 52 Cb 0.58 -5.12 -0.05 0.00 -0.00 0.00 0.00 30.24 25.65 2bba n GLN 52 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2bba s HIS 53 N -2.69 3.49 0.17 2.61 3.76 -1.26 -4.81 115.29 116.56 2bba s HIS 53 Ca 0.00 0.71 -0.30 0.00 -0.15 0.00 0.00 55.06 55.31 2bba s HIS 53 Cb 0.00 -2.12 -0.08 0.00 1.11 0.00 0.00 32.58 31.49 2bba s HIS 53 CO 0.00 0.41 1.30 -1.12 -0.85 0.00 0.00 174.74 174.48 2bba s SER 54 N -2.25 6.92 0.06 1.40 0.01 -1.26 -1.16 113.70 117.43 2bba s SER 54 Ca 0.41 2.34 0.03 0.00 1.31 0.00 0.00 55.95 60.04 2bba s SER 54 Cb -0.12 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 2bba s SER 54 CO 0.22 -0.53 -0.08 0.68 0.41 0.00 0.00 173.24 173.94 2bba s VAL 55 N 0.34 0.69 0.09 3.43 -7.23 -0.12 -4.91 120.40 112.69 2bba s VAL 55 Ca 0.58 -1.37 -0.27 0.00 -1.81 0.00 0.00 61.98 59.11 2bba s VAL 55 Cb -0.36 -0.99 -0.06 0.00 0.56 0.00 0.00 36.38 35.53 2bba s VAL 55 CO 0.36 -0.50 0.84 -0.13 -0.31 0.00 0.00 175.10 175.36 2bba s ARG 56 N -2.25 4.59 0.19 4.82 1.81 -1.26 -0.22 118.95 126.62 2bba s ARG 56 Ca -0.02 1.22 0.01 0.00 -1.72 0.00 0.00 55.73 55.22 2bba s ARG 56 Cb -0.06 -3.35 -0.05 0.00 -0.45 0.00 0.00 34.95 31.04 2bba s ARG 56 CO -0.01 0.30 0.04 0.95 -0.68 0.00 0.00 175.30 175.90 2bba s THR 57 N -0.19 0.51 -0.03 0.02 -4.23 -0.27 -4.81 115.64 106.64 2bba s THR 57 Ca 0.41 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.00 2bba s THR 57 Cb -0.22 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 2bba s THR 57 CO 0.26 -0.34 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.52 2bba s TYR 58 N -3.78 1.64 0.09 3.99 2.02 -0.81 -1.02 117.35 119.48 2bba s TYR 58 Ca 0.28 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.65 2bba s TYR 58 Cb 0.07 -1.08 -0.03 0.00 -0.40 0.00 0.00 41.96 40.51 2bba s TYR 58 CO 0.06 -0.10 -0.16 -1.21 -1.57 0.00 0.00 175.55 172.58 2bba s GLU 59 N -0.18 0.96 -0.12 -0.62 2.02 -0.22 -0.04 118.70 120.49 2bba s GLU 59 Ca 0.02 -1.09 -0.10 0.00 0.02 0.00 0.00 54.97 53.82 2bba s GLU 59 Cb -0.09 -1.00 0.03 0.00 0.10 0.00 0.00 34.13 33.17 2bba s GLU 59 CO 0.01 0.22 0.31 0.54 0.02 0.00 0.00 175.26 176.35 2bba s VAL 60 N -1.48 -0.01 -0.44 2.63 0.11 -0.78 -0.93 120.40 119.51 2bba s VAL 60 Ca 0.03 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.18 2bba s VAL 60 Cb -0.09 -0.44 0.33 0.00 -1.53 0.00 0.00 36.38 34.65 2bba s VAL 60 CO 0.03 0.01 1.04 0.00 -3.33 0.00 0.00 175.10 172.85 2bba s ASP 62 N -1.54 6.84 0.00 0.00 2.15 -1.25 -4.71 116.67 118.17 2bba s ASP 62 Ca 0.26 -2.70 0.00 0.00 0.43 0.00 0.00 52.55 50.54 2bba s ASP 62 Cb 0.31 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.66 2bba s ASP 62 CO -0.06 -0.65 0.00 1.33 -0.17 0.00 0.00 175.17 175.62 2bba n VAL 63 N 4.16 0.00 -0.12 1.11 0.24 -1.26 -3.89 118.33 118.56 2bba n VAL 63 Ca 0.19 -0.04 -0.25 0.00 -2.04 0.00 0.00 64.34 62.19 2bba n VAL 63 Cb 0.46 0.50 -0.08 0.00 -1.47 0.00 0.00 33.84 33.25 2bba n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bba n GLN 64 N -1.30 0.53 0.20 7.34 3.00 -1.26 -4.23 117.38 121.66 2bba n GLN 64 Ca 0.00 0.23 -0.11 0.00 -0.01 0.00 0.00 57.00 57.11 2bba n GLN 64 Cb 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 30.24 28.79 2bba n GLN 64 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 2bba h ARG 65 N -0.90 -0.56 -1.87 -1.09 0.11 -1.90 -3.43 114.38 104.75 2bba h ARG 65 Ca -0.58 0.04 -0.49 0.00 0.10 0.00 0.00 59.98 59.05 2bba h ARG 65 Cb 1.50 0.13 -0.33 0.00 1.11 0.00 0.00 29.97 32.37 2bba h ARG 65 CO -0.35 -0.28 -0.90 0.00 0.10 0.00 0.00 179.97 178.54 2bba n ALA 66 N -2.66 1.69 0.33 0.08 0.00 -1.26 -4.97 120.51 113.72 2bba n ALA 66 Ca -0.09 -2.73 0.10 0.00 0.00 0.00 0.00 53.44 50.72 2bba n ALA 66 Cb 0.27 -0.93 0.43 0.00 0.00 0.00 0.00 19.45 19.23 2bba n ALA 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bba n PRO 67 N 2.38 0.13 -0.03 0.00 -0.04 -1.25 -1.49 135.00 134.69 2bba n PRO 67 Ca 0.24 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.27 2bba n PRO 67 Cb 0.52 -1.78 0.33 0.00 -0.04 0.00 0.00 33.50 32.53 2bba n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bba n GLY 68 N -0.41 0.55 3.68 0.55 0.00 -1.26 -2.03 105.19 106.27 2bba n GLY 68 Ca 0.01 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 2bba n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bba s GLN 69 N -1.91 4.40 0.29 1.61 2.00 -0.56 -4.95 119.66 120.54 2bba s GLN 69 Ca 0.34 1.39 -0.28 0.00 -2.00 0.00 0.00 55.36 54.81 2bba s GLN 69 Cb 0.20 -3.55 -0.09 0.00 0.80 0.00 0.00 33.01 30.37 2bba s GLN 69 CO 0.31 -0.35 1.00 0.00 -0.50 0.00 0.00 175.29 175.75 2bba s ALA 70 N 2.16 3.30 -0.11 1.58 0.00 -1.26 -4.26 121.76 123.17 2bba s ALA 70 Ca 0.48 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2bba s ALA 70 Cb -0.18 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.72 2bba s ALA 70 CO 0.16 0.04 -0.10 -1.01 0.00 0.00 0.00 175.76 174.86 2bba s HIS 71 N -1.32 1.57 0.04 0.00 0.09 0.22 -4.52 115.29 111.37 2bba s HIS 71 Ca 0.46 -0.76 0.03 0.00 -0.00 0.00 0.00 55.06 54.80 2bba s HIS 71 Cb -0.26 -1.24 -0.04 0.00 -0.00 0.00 0.00 32.58 31.04 2bba s HIS 71 CO 0.32 -0.48 -0.02 -1.58 -0.00 0.00 0.00 174.74 172.99 2bba s TRP 72 N 1.44 2.99 -0.03 1.40 0.52 0.20 -1.14 118.94 124.32 2bba s TRP 72 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 56.10 56.12 2bba s TRP 72 Cb -0.13 -1.59 0.03 0.00 -1.15 0.00 0.00 33.47 30.63 2bba s TRP 72 CO -0.06 0.45 0.03 -1.17 0.02 0.00 0.00 176.95 176.22 2bba s LEU 73 N -1.89 0.74 -0.05 2.99 2.96 -0.43 -1.78 118.68 121.22 2bba s LEU 73 Ca 0.22 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 2bba s LEU 73 Cb -0.11 -0.16 -0.00 0.00 0.50 0.00 0.00 46.19 46.41 2bba s LEU 73 CO 0.13 -0.17 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.21 2bba s ARG 74 N 1.50 1.99 0.96 1.98 3.52 0.30 -0.35 118.95 128.85 2bba s ARG 74 Ca -0.03 -0.68 -0.12 0.00 -0.13 0.00 0.00 55.73 54.76 2bba s ARG 74 Cb -0.13 -1.71 0.16 0.00 -1.56 0.00 0.00 34.95 31.72 2bba s ARG 74 CO -0.03 0.27 1.12 0.95 -0.81 0.00 0.00 175.30 176.80 2bba s THR 75 N 0.01 2.03 1.17 4.11 -4.23 -0.18 -1.83 115.64 116.71 2bba s THR 75 Ca -0.04 0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 60.33 2bba s THR 75 Cb -0.12 -2.64 0.28 0.00 1.34 0.00 0.00 72.50 71.36 2bba s THR 75 CO 0.03 -0.01 1.03 -0.83 -0.54 0.00 0.00 174.62 174.30 2bba s GLY 76 N -3.76 1.53 0.01 3.99 0.00 -1.26 -4.70 107.32 103.13 2bba s GLY 76 Ca 0.65 -0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.72 2bba s GLY 76 CO 0.55 0.40 1.21 0.86 0.00 0.00 0.00 173.10 176.13 2bba s TRP 77 N -2.60 3.29 -0.37 1.90 -0.00 -1.26 -4.60 118.94 115.30 2bba s TRP 77 Ca 0.68 1.23 -0.06 0.00 -0.00 0.00 0.00 56.10 57.95 2bba s TRP 77 Cb -0.21 -3.44 0.06 0.00 -0.00 0.00 0.00 33.47 29.88 2bba s TRP 77 CO 0.62 -1.37 0.15 0.08 -0.00 0.00 0.00 176.95 176.43 2bba s VAL 78 N 1.63 3.74 0.20 5.86 1.01 0.25 -4.91 120.40 128.19 2bba s VAL 78 Ca 0.58 -1.37 -0.31 0.00 0.00 0.00 0.00 61.98 60.88 2bba s VAL 78 Cb -0.28 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 2bba s VAL 78 CO 0.26 -0.33 1.63 -2.84 0.00 0.00 0.00 175.10 173.82 2bba s PRO 79 N 1.35 4.17 0.03 2.72 0.02 -1.26 -1.56 135.00 140.46 2bba s PRO 79 Ca 0.01 2.49 0.26 0.00 0.02 0.00 0.00 61.00 63.78 2bba s PRO 79 Cb -0.21 -3.10 0.72 0.00 0.02 0.00 0.00 34.50 31.93 2bba s PRO 79 CO 0.01 -0.66 1.57 2.89 -0.33 0.00 0.00 177.00 180.48 2bba n ARG 80 N 3.65 0.05 0.00 5.54 1.85 -0.35 -4.94 116.66 122.46 2bba n ARG 80 Ca 0.14 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 2bba n ARG 80 Cb 0.37 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 2bba n ARG 80 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2bba n ARG 81 N -1.62 0.00 0.00 2.89 1.74 -1.26 -1.31 116.66 117.09 2bba n ARG 81 Ca 0.06 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.29 2bba n ARG 81 Cb 0.36 0.00 0.87 0.00 -1.02 0.00 0.00 32.46 32.67 2bba n ARG 81 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bba n GLY 82 N 0.00 -1.10 3.72 -0.13 0.00 -1.26 -4.94 105.19 101.48 2bba n GLY 82 Ca 0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2bba n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bba s ALA 83 N -2.21 3.58 -0.17 4.61 0.00 -0.43 -4.93 121.76 122.20 2bba s ALA 83 Ca 0.40 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 53.46 2bba s ALA 83 Cb 0.21 -3.53 -0.22 0.00 0.00 0.00 0.00 23.12 19.58 2bba s ALA 83 CO 0.40 -0.60 0.13 0.28 0.00 0.00 0.00 175.76 175.98 2bba n VAL 84 N 3.80 1.64 -5.25 0.00 0.31 -1.26 -4.66 118.33 112.91 2bba n VAL 84 Ca 0.11 -0.64 -0.30 0.00 -0.01 0.00 0.00 64.34 63.49 2bba n VAL 84 Cb 0.42 -1.52 -0.16 0.00 -0.91 0.00 0.00 33.84 31.67 2bba n VAL 84 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2bba s HIS 85 N -2.54 2.27 -0.03 3.52 3.76 -1.26 -0.62 115.29 120.38 2bba s HIS 85 Ca -0.26 -0.43 0.07 0.00 -0.15 0.00 0.00 55.06 54.29 2bba s HIS 85 Cb 0.08 -1.45 -0.02 0.00 1.11 0.00 0.00 32.58 32.29 2bba s HIS 85 CO 0.71 -0.03 -0.24 0.08 -0.85 0.00 0.00 174.74 174.41 2bba s VAL 86 N -0.61 2.25 -0.12 -0.90 1.01 -0.42 -4.62 120.40 116.99 2bba s VAL 86 Ca 0.10 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 2bba s VAL 86 Cb -0.10 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 2bba s VAL 86 CO -0.01 0.58 0.21 -0.31 0.00 0.00 0.00 175.10 175.57 2bba s TYR 87 N -0.55 3.58 -0.28 5.22 2.02 0.46 -0.14 117.35 127.66 2bba s TYR 87 Ca 0.08 0.59 0.03 0.00 -0.37 0.00 0.00 57.07 57.40 2bba s TYR 87 Cb -0.11 -2.09 0.07 0.00 -0.40 0.00 0.00 41.96 39.43 2bba s TYR 87 CO 0.00 0.59 -0.07 0.00 -1.57 0.00 0.00 175.55 174.50 2bba s ALA 88 N -0.64 2.60 -0.26 3.71 0.00 0.38 -1.24 121.76 126.32 2bba s ALA 88 Ca 0.16 -1.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.04 2bba s ALA 88 Cb -0.13 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 2bba s ALA 88 CO 0.05 -1.31 0.38 0.99 0.00 0.00 0.00 175.76 175.86 2bba s THR 89 N 1.07 5.17 -0.14 0.00 2.01 -0.03 -1.25 115.64 122.48 2bba s THR 89 Ca -0.04 0.60 -0.03 0.00 0.31 0.00 0.00 61.69 62.53 2bba s THR 89 Cb -0.20 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 2bba s THR 89 CO -0.06 0.17 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.22 2bba s LEU 90 N 1.96 3.13 -0.10 4.42 1.43 0.57 -1.47 118.68 128.62 2bba s LEU 90 Ca 0.16 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 2bba s LEU 90 Cb -0.16 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 2bba s LEU 90 CO 0.09 0.18 -0.22 -0.13 0.23 0.00 0.00 176.35 176.51 2bba s ARG 91 N 0.29 3.06 -0.02 1.70 0.52 -0.79 -1.49 118.95 122.22 2bba s ARG 91 Ca -0.05 -0.84 -0.24 0.00 -0.52 0.00 0.00 55.73 54.08 2bba s ARG 91 Cb -0.14 -2.35 0.05 0.00 0.52 0.00 0.00 34.95 33.02 2bba s ARG 91 CO 0.04 0.21 0.53 -0.59 0.02 0.00 0.00 175.30 175.50 2bba s PHE 92 N 0.28 -0.45 -0.09 -0.53 -0.12 -0.40 -0.80 117.98 115.86 2bba s PHE 92 Ca -0.16 0.71 -0.05 0.00 -0.05 0.00 0.00 56.93 57.38 2bba s PHE 92 Cb -0.17 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 2bba s PHE 92 CO 0.08 -0.55 0.12 0.99 -0.05 0.00 0.00 175.22 175.81 2bba s THR 93 N -1.50 5.25 -0.13 -4.49 2.01 -0.19 -0.55 115.64 116.04 2bba s THR 93 Ca -0.11 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 2bba s THR 93 Cb -0.02 -3.30 0.03 0.00 0.01 0.00 0.00 72.50 69.22 2bba s THR 93 CO 0.06 0.57 -0.06 -0.32 -0.69 0.00 0.00 174.62 174.17 2bba s MET 94 N -1.16 1.41 0.30 4.92 0.00 -1.26 -1.43 119.30 122.08 2bba s MET 94 Ca 0.17 -0.31 -0.29 0.00 0.00 0.00 0.00 55.69 55.26 2bba s MET 94 Cb -0.12 -1.68 -0.10 0.00 0.00 0.00 0.00 34.83 32.93 2bba s MET 94 CO 0.06 -0.33 1.13 -0.51 0.00 0.00 0.00 175.02 175.37 2bba s LEU 95 N 1.71 4.50 -0.02 4.11 2.01 0.04 -0.58 118.68 130.44 2bba s LEU 95 Ca 0.04 2.33 -0.30 0.00 0.01 0.00 0.00 54.13 56.21 2bba s LEU 95 Cb -0.13 -3.67 -0.07 0.00 0.01 0.00 0.00 46.19 42.33 2bba s LEU 95 CO -0.08 -0.24 1.79 -0.70 1.01 0.00 0.00 176.35 178.13 2bba s GLU 96 N -1.58 4.14 0.26 1.70 2.12 0.11 -4.76 118.70 120.69 2bba s GLU 96 Ca 0.46 2.34 -0.02 0.00 0.36 0.00 0.00 54.97 58.12 2bba s GLU 96 Cb -0.33 -4.07 0.49 0.00 0.26 0.00 0.00 34.13 30.49 2bba s GLU 96 CO 0.42 -0.92 1.78 0.00 -0.54 0.00 0.00 175.26 176.00 2bba h LEU 98 N 0.70 0.00 0.00 0.00 3.38 -1.97 -1.29 115.31 116.14 2bba h LEU 98 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 2bba h LEU 98 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2bba h LEU 98 CO -0.32 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.01 2bba n SER 99 N -3.37 0.00 -4.51 -0.43 7.64 -0.29 -4.82 113.62 107.84 2bba n SER 99 Ca -0.03 0.31 -0.40 0.00 1.01 0.00 0.00 58.87 59.76 2bba n SER 99 Cb 0.07 -0.43 -0.11 0.00 -1.01 0.00 0.00 64.21 62.73 2bba n SER 99 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bba s LEU 100 N -2.87 4.39 0.29 -3.43 1.43 -0.49 -4.75 118.68 113.25 2bba s LEU 100 Ca 0.17 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 2bba s LEU 100 Cb 0.18 -2.11 -0.10 0.00 0.03 0.00 0.00 46.19 44.19 2bba s LEU 100 CO 0.47 -0.21 1.44 -2.16 0.23 0.00 0.00 176.35 176.11 2bba s PRO 101 N 1.70 4.25 -0.90 1.29 0.04 -1.26 -2.12 135.00 137.99 2bba s PRO 101 Ca 0.06 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2bba s PRO 101 Cb -0.17 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2bba s PRO 101 CO 0.10 -0.41 0.00 2.89 0.04 0.00 0.00 177.00 179.62 2bba n ARG 102 N 1.73 -1.56 -1.64 4.56 -4.01 -1.26 -4.93 116.66 109.55 2bba n ARG 102 Ca 0.05 0.62 -0.37 0.00 -1.04 0.00 0.00 57.85 57.11 2bba n ARG 102 Cb 0.40 -4.70 0.07 0.00 -3.04 0.00 0.00 32.46 25.19 2bba n ARG 102 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2bba n ALA 103 N 0.58 0.75 -3.00 2.89 0.00 -0.90 -4.37 120.51 116.46 2bba n ALA 103 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2bba n ALA 103 Cb 0.40 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2bba n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bba n GLY 104 N 1.00 6.30 0.29 0.00 0.00 -1.26 -5.02 105.19 106.50 2bba n GLY 104 Ca 0.15 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.61 2bba n GLY 104 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bba h ARG 105 N 0.00 0.00 0.00 1.61 2.47 -1.96 -2.45 114.38 114.05 2bba h ARG 105 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2bba h ARG 105 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2bba h ARG 105 CO 0.00 0.03 -0.05 0.45 0.56 0.00 0.00 179.97 180.96 2bba n SER 106 N -3.84 0.16 -4.77 7.04 2.88 -1.26 -4.91 113.62 108.93 2bba n SER 106 Ca -0.03 0.44 -0.39 0.00 -1.33 0.00 0.00 58.87 57.56 2bba n SER 106 Cb 0.12 -0.47 0.01 0.00 -0.75 0.00 0.00 64.21 63.12 2bba n SER 106 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bba s LYS 108 N -2.41 1.51 -0.22 0.00 -0.14 0.17 -5.00 119.74 113.64 2bba s LYS 108 Ca 0.60 -1.70 0.13 0.00 -1.36 0.00 0.00 55.97 53.65 2bba s LYS 108 Cb -0.39 -1.38 0.45 0.00 -1.68 0.00 0.00 37.83 34.83 2bba s LYS 108 CO 0.50 0.21 1.19 0.39 -0.76 0.00 0.00 175.35 176.88 2bba n GLU 109 N -0.51 2.18 -4.10 1.68 1.02 -1.26 -4.12 120.64 115.53 2bba n GLU 109 Ca -0.06 -3.50 -0.10 0.00 -0.02 0.00 0.00 57.16 53.48 2bba n GLU 109 Cb 0.61 -1.67 -0.09 0.00 -0.02 0.00 0.00 31.44 30.27 2bba n GLU 109 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2bba s THR 110 N -3.43 0.09 0.08 2.62 -4.23 -1.26 -3.66 115.64 105.85 2bba s THR 110 Ca 0.41 -1.76 -0.08 0.00 -1.18 0.00 0.00 61.69 59.08 2bba s THR 110 Cb 0.38 -2.01 -0.01 0.00 1.34 0.00 0.00 72.50 72.21 2bba s THR 110 CO -0.04 -0.40 0.16 0.72 -0.54 0.00 0.00 174.62 174.53 2bba s PHE 111 N -4.03 0.19 -0.06 3.99 -0.12 -1.08 -4.70 117.98 112.16 2bba s PHE 111 Ca 0.23 -0.62 0.04 0.00 -0.05 0.00 0.00 56.93 56.53 2bba s PHE 111 Cb 0.06 -0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.34 2bba s PHE 111 CO 0.02 -0.52 -0.18 0.99 -0.05 0.00 0.00 175.22 175.48 2bba s THR 112 N -3.78 2.68 -0.13 -4.49 2.01 -0.64 -0.18 115.64 111.10 2bba s THR 112 Ca 0.04 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 2bba s THR 112 Cb 0.05 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 2bba s THR 112 CO -0.10 0.57 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.67 2bba s VAL 113 N -0.41 3.88 0.18 3.82 1.01 -0.40 -1.07 120.40 127.40 2bba s VAL 113 Ca 0.04 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.70 2bba s VAL 113 Cb -0.12 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 2bba s VAL 113 CO 0.02 0.52 -0.10 -0.36 0.00 0.00 0.00 175.10 175.18 2bba s PHE 114 N 0.07 1.45 0.10 5.22 0.08 -0.14 -0.49 117.98 124.26 2bba s PHE 114 Ca -0.00 -0.73 -0.01 0.00 0.12 0.00 0.00 56.93 56.31 2bba s PHE 114 Cb -0.13 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 2bba s PHE 114 CO 0.03 0.15 0.01 1.52 -0.10 0.00 0.00 175.22 176.83 2bba s TYR 115 N -3.24 0.75 -0.10 0.36 -0.85 -0.46 -0.99 117.35 112.83 2bba s TYR 115 Ca 0.20 -1.14 -0.05 0.00 -0.52 0.00 0.00 57.07 55.56 2bba s TYR 115 Cb 0.02 -0.46 0.05 0.00 0.38 0.00 0.00 41.96 41.95 2bba s TYR 115 CO 0.04 -0.43 0.22 -0.47 -1.52 0.00 0.00 175.55 173.39 2bba s TYR 116 N -3.96 -0.29 0.07 -3.49 5.04 -0.62 -0.54 117.35 113.56 2bba s TYR 116 Ca 0.17 0.72 -0.17 0.00 -2.44 0.00 0.00 57.07 55.35 2bba s TYR 116 Cb 0.08 0.01 -0.06 0.00 0.35 0.00 0.00 41.96 42.33 2bba s TYR 116 CO -0.03 -0.22 0.52 -1.21 -1.34 0.00 0.00 175.55 173.27 2bba s GLU 117 N 1.30 4.08 0.02 4.97 2.02 -1.26 -1.02 118.70 128.81 2bba s GLU 117 Ca -0.09 0.60 -0.05 0.00 0.02 0.00 0.00 54.97 55.45 2bba s GLU 117 Cb -0.11 -3.17 -0.01 0.00 0.10 0.00 0.00 34.13 30.95 2bba s GLU 117 CO -0.08 0.62 0.09 -1.54 0.02 0.00 0.00 175.26 174.37 2bba s SER 118 N -1.23 0.13 0.00 -0.19 1.04 -0.10 -4.97 113.70 108.38 2bba s SER 118 Ca 0.29 -0.39 0.28 0.00 0.48 0.00 0.00 55.95 56.61 2bba s SER 118 Cb -0.18 0.19 1.12 0.00 0.10 0.00 0.00 66.02 67.26 2bba s SER 118 CO 0.18 -0.41 1.82 0.47 0.98 0.00 0.00 173.24 176.28 2bba n ASP 119 N 1.20 0.22 -3.76 7.02 8.00 -1.26 -1.98 116.55 126.00 2bba n ASP 119 Ca -0.22 -0.01 -0.08 0.00 0.71 0.00 0.00 54.79 55.19 2bba n ASP 119 Cb 0.57 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 2bba n ASP 119 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bba s ALA 120 N -2.81 -0.70 -1.22 2.24 0.00 -1.26 -4.56 121.76 113.44 2bba s ALA 120 Ca 0.19 -0.63 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 2bba s ALA 120 Cb 0.19 0.92 0.16 0.00 0.00 0.00 0.00 23.12 24.39 2bba s ALA 120 CO 0.54 -0.95 1.49 -3.47 0.00 0.00 0.00 175.76 173.36 2bba n ASP 121 N -0.61 5.19 -0.57 0.00 2.03 -1.26 -4.66 116.55 116.68 2bba n ASP 121 Ca -0.03 -2.98 0.08 0.00 0.52 0.00 0.00 54.79 52.37 2bba n ASP 121 Cb 0.60 -1.58 0.05 0.00 -0.72 0.00 0.00 41.12 39.47 2bba n ASP 121 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2bba n THR 122 N 4.72 0.00 -1.51 5.18 -2.24 -1.26 -5.02 114.28 114.15 2bba n THR 122 Ca 0.38 -0.48 -0.36 0.00 -2.27 0.00 0.00 64.05 61.33 2bba n THR 122 Cb 0.43 1.30 0.09 0.00 -2.10 0.00 0.00 70.33 70.04 2bba n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bba s ALA 123 N -1.36 2.18 0.12 6.98 0.00 -1.26 -4.92 121.76 123.50 2bba s ALA 123 Ca 0.17 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.24 2bba s ALA 123 Cb 0.13 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 2bba s ALA 123 CO 0.22 -1.86 0.05 0.25 0.00 0.00 0.00 175.76 174.42 2bba n THR 124 N -2.41 0.00 0.26 0.00 -2.24 0.17 -4.99 114.28 105.07 2bba n THR 124 Ca 0.15 -0.71 0.12 0.00 -2.27 0.00 0.00 64.05 61.34 2bba n THR 124 Cb 0.49 0.26 0.72 0.00 -2.10 0.00 0.00 70.33 69.70 2bba n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bba h ALA 125 N 1.21 1.42 -0.00 6.98 0.00 -1.97 -3.22 119.26 123.68 2bba h ALA 125 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2bba h ALA 125 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2bba h ALA 125 CO 0.15 0.13 -0.22 1.28 0.00 0.00 0.00 179.25 180.59 2bba n LEU 126 N -3.83 0.53 -4.02 0.00 4.77 -1.26 -4.92 117.00 108.27 2bba n LEU 126 Ca -0.02 -0.60 -0.09 0.00 -0.03 0.00 0.00 56.01 55.27 2bba n LEU 126 Cb 0.20 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 2bba n LEU 126 CO 0.31 0.12 -0.37 0.42 -1.33 0.00 0.00 177.39 176.54 2bba s THR 127 N -1.34 0.21 0.38 -5.08 -4.23 -1.22 -3.88 115.64 100.47 2bba s THR 127 Ca 0.03 -1.19 -0.26 0.00 -1.18 0.00 0.00 61.69 59.10 2bba s THR 127 Cb 0.05 -0.66 -0.12 0.00 1.34 0.00 0.00 72.50 73.11 2bba s THR 127 CO 0.21 -0.62 1.01 -2.65 -0.54 0.00 0.00 174.62 172.02 2bba n PRO 128 N 1.16 1.37 -1.57 3.99 -0.02 -1.26 -0.66 135.00 138.00 2bba n PRO 128 Ca -0.21 0.49 -0.47 0.00 -2.02 0.00 0.00 63.50 61.28 2bba n PRO 128 Cb 0.57 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 2bba n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bba n ALA 129 N -0.23 -0.69 -2.01 3.55 0.00 -1.25 -4.77 120.51 115.10 2bba n ALA 129 Ca 0.09 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.55 2bba n ALA 129 Cb 0.37 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2bba n ALA 129 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2bba n TRP 130 N 1.04 3.84 -3.58 0.00 7.02 -1.26 -4.43 117.44 120.08 2bba n TRP 130 Ca 0.13 -2.94 -0.07 0.00 -1.02 0.00 0.00 57.50 53.61 2bba n TRP 130 Cb 0.27 -2.55 -0.03 0.00 -2.42 0.00 0.00 31.31 26.58 2bba n TRP 130 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bba s MET 131 N 3.32 0.45 0.17 -0.99 0.23 -1.26 -5.11 119.30 116.11 2bba s MET 131 Ca 0.48 -0.03 -0.33 0.00 -1.03 0.00 0.00 55.69 54.78 2bba s MET 131 Cb 0.11 0.21 -0.14 0.00 -1.53 0.00 0.00 34.83 33.48 2bba s MET 131 CO -0.04 -0.17 1.55 -1.91 -2.03 0.00 0.00 175.02 172.42 2bba n GLU 132 N 0.28 2.13 -2.46 3.16 2.13 -1.26 -2.18 120.64 122.45 2bba n GLU 132 Ca -0.05 0.77 -0.02 0.00 0.66 0.00 0.00 57.16 58.52 2bba n GLU 132 Cb 0.59 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.78 2bba n GLU 132 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2bba n ASN 133 N 3.20 -6.58 0.08 4.31 5.03 -1.26 -4.67 115.26 115.38 2bba n ASN 133 Ca 0.16 0.87 -0.09 0.00 0.87 0.00 0.00 54.58 56.39 2bba n ASN 133 Cb 0.29 -4.32 -0.08 0.00 -1.02 0.00 0.00 39.78 34.64 2bba n ASN 133 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2bba h PRO 134 N 2.06 0.11 -6.96 3.52 0.13 -1.76 -3.49 132.00 125.61 2bba h PRO 134 Ca 0.00 -0.16 -0.54 0.00 -0.87 0.00 0.00 66.00 64.43 2bba h PRO 134 Cb 0.25 0.06 0.11 0.00 0.13 0.00 0.00 31.00 31.55 2bba h PRO 134 CO 0.10 1.02 0.73 0.71 -0.23 0.00 0.00 178.00 180.33 2bba s TYR 135 N -2.85 2.56 -0.26 1.56 2.02 -0.92 -4.87 117.35 114.58 2bba s TYR 135 Ca -0.01 1.24 -0.14 0.00 -0.37 0.00 0.00 57.07 57.79 2bba s TYR 135 Cb 0.09 -3.94 -0.04 0.00 -0.40 0.00 0.00 41.96 37.67 2bba s TYR 135 CO 0.83 -2.86 0.32 0.42 -1.57 0.00 0.00 175.55 172.70 2bba s ILE 136 N -1.17 5.22 -0.07 2.71 1.01 0.30 -4.42 121.20 124.78 2bba s ILE 136 Ca 0.56 0.47 -0.30 0.00 0.00 0.00 0.00 60.65 61.39 2bba s ILE 136 Cb -0.44 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 2bba s ILE 136 CO 0.59 0.20 1.24 -0.75 0.00 0.00 0.00 174.94 176.22 2bba s LYS 137 N 1.87 4.31 -0.21 2.79 2.20 -1.26 -1.36 119.74 128.08 2bba s LYS 137 Ca 0.13 1.71 -0.18 0.00 -0.36 0.00 0.00 55.97 57.27 2bba s LYS 137 Cb -0.16 -3.61 -0.14 0.00 -1.51 0.00 0.00 37.83 32.41 2bba s LYS 137 CO 0.10 -0.52 -0.01 0.28 -0.36 0.00 0.00 175.35 174.83 2bba n VAL 138 N 4.80 1.52 -3.63 4.02 0.31 0.35 -4.98 118.33 120.72 2bba n VAL 138 Ca 0.12 -0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 64.29 2bba n VAL 138 Cb 0.46 -2.07 -0.07 0.00 -0.91 0.00 0.00 33.84 31.25 2bba n VAL 138 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2bba s ASP 139 N -6.80 -0.39 -0.43 4.52 2.15 -1.13 -5.03 116.67 109.56 2bba s ASP 139 Ca -0.29 0.69 -0.23 0.00 0.43 0.00 0.00 52.55 53.15 2bba s ASP 139 Cb 0.07 0.68 0.02 0.00 -0.30 0.00 0.00 42.92 43.39 2bba s ASP 139 CO 0.51 -0.18 0.77 -0.89 -0.17 0.00 0.00 175.17 175.21 2bba s THR 140 N -0.09 4.69 -0.16 1.71 2.01 -1.26 -1.27 115.64 121.27 2bba s THR 140 Ca 0.03 0.50 -0.24 0.00 0.31 0.00 0.00 61.69 62.29 2bba s THR 140 Cb -0.04 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.17 2bba s THR 140 CO -0.05 -0.64 0.75 -0.69 -0.69 0.00 0.00 174.62 173.30 2bba s VAL 141 N 3.20 4.95 0.31 3.82 1.01 0.75 -4.94 120.40 129.50 2bba s VAL 141 Ca 0.29 1.47 0.04 0.00 0.00 0.00 0.00 61.98 63.78 2bba s VAL 141 Cb -0.13 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2bba s VAL 141 CO 0.21 0.10 0.46 0.00 0.00 0.00 0.00 175.10 175.87 2bba s ALA 142 N 1.81 3.93 -0.27 5.51 0.00 -1.26 -2.65 121.76 128.84 2bba s ALA 142 Ca 0.35 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 2bba s ALA 142 Cb -0.17 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.13 2bba s ALA 142 CO 0.13 0.05 0.01 0.00 0.00 0.00 0.00 175.76 175.95 2bba s ALA 143 N -2.16 2.88 0.29 0.00 0.00 -1.24 -4.96 121.76 116.57 2bba s ALA 143 Ca 0.39 -1.45 0.20 0.00 0.00 0.00 0.00 51.96 51.10 2bba s ALA 143 Cb -0.09 -1.91 0.92 0.00 0.00 0.00 0.00 23.12 22.04 2bba s ALA 143 CO 0.32 -0.86 1.86 0.93 0.00 0.00 0.00 175.76 178.01 2bba h GLU 144 N 8.12 0.00 -4.89 0.00 4.39 -1.98 -3.42 114.58 116.80 2bba h GLU 144 Ca -0.32 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.71 2bba h GLU 144 Cb 1.12 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 29.42 2bba h GLU 144 CO 0.59 0.29 -0.78 -1.01 -1.16 0.00 0.00 179.01 176.94 2bba s HIS 145 N -3.94 3.15 -0.14 4.33 3.76 -1.26 -5.10 115.29 116.09 2bba s HIS 145 Ca -0.01 -1.98 -0.09 0.00 -0.15 0.00 0.00 55.06 52.83 2bba s HIS 145 Cb 0.12 -1.99 -0.05 0.00 1.11 0.00 0.00 32.58 31.78 2bba s HIS 145 CO 0.66 -0.82 0.17 -0.51 -0.85 0.00 0.00 174.74 173.39 2bba s LEU 146 N 1.21 4.33 0.07 0.89 1.43 -1.26 -4.40 118.68 120.94 2bba s LEU 146 Ca -0.04 0.43 -0.26 0.00 -1.03 0.00 0.00 54.13 53.23 2bba s LEU 146 Cb -0.18 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.84 2bba s LEU 146 CO -0.05 0.30 0.82 -0.89 0.23 0.00 0.00 176.35 176.76 2bba s THR 147 N -0.45 4.65 0.07 5.49 2.01 0.25 -4.63 115.64 123.04 2bba s THR 147 Ca 0.14 1.76 0.07 0.00 0.31 0.00 0.00 61.69 63.97 2bba s THR 147 Cb -0.12 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2bba s THR 147 CO 0.03 0.35 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.04 2bba s ARG 148 N -0.07 2.09 -0.13 4.92 0.52 0.13 -0.71 118.95 125.70 2bba s ARG 148 Ca 0.41 -1.00 -0.07 0.00 -0.52 0.00 0.00 55.73 54.55 2bba s ARG 148 Cb -0.21 -2.24 0.05 0.00 0.52 0.00 0.00 34.95 33.06 2bba s ARG 148 CO 0.25 0.53 0.30 0.21 0.02 0.00 0.00 175.30 176.61 2bba s LYS 149 N -1.79 0.27 0.05 3.54 2.20 -1.26 -0.95 119.74 121.81 2bba s LYS 149 Ca 0.17 0.62 0.09 0.00 -0.36 0.00 0.00 55.97 56.49 2bba s LYS 149 Cb -0.11 -0.09 -0.03 0.00 -1.51 0.00 0.00 37.83 36.10 2bba s LYS 149 CO 0.09 -0.16 -0.24 0.50 -0.36 0.00 0.00 175.35 175.18 2bba s ARG 150 N 1.30 1.86 0.23 4.03 6.06 -1.26 -4.75 118.95 126.42 2bba s ARG 150 Ca -0.09 -1.09 -0.32 0.00 -2.50 0.00 0.00 55.73 51.74 2bba s ARG 150 Cb -0.10 -2.04 -0.12 0.00 0.06 0.00 0.00 34.95 32.75 2bba s ARG 150 CO -0.10 0.52 1.63 -0.35 -2.50 0.00 0.00 175.30 174.50 2bba n PRO 151 N 1.66 2.59 0.00 5.12 -0.04 -1.26 -2.37 135.00 140.69 2bba n PRO 151 Ca -0.17 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 2bba n PRO 151 Cb 0.52 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 2bba n PRO 151 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bba n GLY 152 N 3.08 1.03 3.38 0.55 0.00 -1.26 -5.06 105.19 106.90 2bba n GLY 152 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 2bba n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bba s ALA 153 N -2.28 2.22 0.43 4.61 0.00 -1.00 -5.12 121.76 120.62 2bba s ALA 153 Ca 0.00 -1.70 -0.25 0.00 0.00 0.00 0.00 51.96 50.02 2bba s ALA 153 Cb 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 2bba s ALA 153 CO 0.00 0.15 1.25 -1.83 0.00 0.00 0.00 175.76 175.34 2bba s GLU 154 N -3.48 3.85 0.56 0.00 4.04 -1.26 -4.54 118.70 117.86 2bba s GLU 154 Ca 0.24 2.02 -0.21 0.00 0.04 0.00 0.00 54.97 57.06 2bba s GLU 154 Cb -0.03 -2.61 -0.04 0.00 0.02 0.00 0.00 34.13 31.47 2bba s GLU 154 CO 0.09 -0.55 1.28 0.00 -1.84 0.00 0.00 175.26 174.24 2bba s ALA 155 N -1.35 2.72 0.00 -0.84 0.00 -1.26 -4.72 121.76 116.31 2bba s ALA 155 Ca 0.60 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.77 2bba s ALA 155 Cb -0.35 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.25 2bba s ALA 155 CO 0.44 -1.22 -0.13 0.95 0.00 0.00 0.00 175.76 175.79 2bba s THR 156 N -1.43 1.04 0.00 0.00 -4.23 -0.12 -4.98 115.64 105.92 2bba s THR 156 Ca 0.73 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2bba s THR 156 Cb -0.35 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.59 2bba s THR 156 CO 0.41 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.30 2bba n GLY 157 N 2.51 1.13 3.61 3.99 0.00 -1.26 -0.69 105.19 114.48 2bba n GLY 157 Ca -0.15 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 2bba n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bba s LYS 158 N -2.00 2.21 0.23 1.61 1.02 -1.26 -5.02 119.74 116.53 2bba s LYS 158 Ca 0.00 -1.24 -0.27 0.00 0.02 0.00 0.00 55.97 54.49 2bba s LYS 158 Cb 0.00 -2.22 -0.09 0.00 -0.52 0.00 0.00 37.83 35.00 2bba s LYS 158 CO 0.00 0.43 0.87 0.08 -0.92 0.00 0.00 175.35 175.81 2bba s VAL 159 N -1.81 4.24 0.13 3.17 1.01 -1.26 -4.76 120.40 121.13 2bba s VAL 159 Ca 0.27 1.83 -0.04 0.00 0.00 0.00 0.00 61.98 64.03 2bba s VAL 159 Cb -0.09 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 2bba s VAL 159 CO 0.17 0.40 0.35 0.20 0.00 0.00 0.00 175.10 176.22 2bba s ASN 160 N -1.32 6.48 -0.02 3.32 0.01 0.28 -4.93 114.94 118.76 2bba s ASN 160 Ca 0.42 0.56 0.02 0.00 -0.71 0.00 0.00 52.86 53.14 2bba s ASN 160 Cb -0.22 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.36 2bba s ASN 160 CO 0.27 0.07 -0.08 0.54 -1.51 0.00 0.00 177.10 176.40 2bba s VAL 161 N -1.62 0.67 -0.03 1.60 0.11 -1.26 -1.28 120.40 118.59 2bba s VAL 161 Ca 0.40 -0.30 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 2bba s VAL 161 Cb -0.12 -0.61 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 2bba s VAL 161 CO 0.25 0.22 -0.01 -0.75 -3.33 0.00 0.00 175.10 171.47 2bba s LYS 162 N 0.20 0.44 -0.17 1.54 2.47 -0.56 -5.00 119.74 118.66 2bba s LYS 162 Ca -0.03 0.01 -0.02 0.00 -1.56 0.00 0.00 55.97 54.37 2bba s LYS 162 Cb -0.08 -0.55 -0.01 0.00 -1.46 0.00 0.00 37.83 35.73 2bba s LYS 162 CO 0.00 -0.10 -0.09 0.99 0.16 0.00 0.00 175.35 176.32 2bba s THR 163 N 0.88 3.26 0.03 3.43 2.01 -1.26 -0.31 115.64 123.69 2bba s THR 163 Ca -0.10 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.38 2bba s THR 163 Cb -0.13 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 2bba s THR 163 CO -0.01 0.48 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.59 2bba s LEU 164 N 0.79 3.25 -0.20 4.42 1.43 -0.38 -4.93 118.68 123.06 2bba s LEU 164 Ca -0.03 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 2bba s LEU 164 Cb -0.15 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 2bba s LEU 164 CO 0.01 0.25 -0.01 -0.60 0.23 0.00 0.00 176.35 176.23 2bba s ARG 165 N -1.71 3.58 -0.08 1.70 3.52 -1.26 -0.47 118.95 124.22 2bba s ARG 165 Ca 0.20 -0.54 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 2bba s ARG 165 Cb -0.11 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 2bba s ARG 165 CO 0.11 -0.00 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.05 2bba s LEU 166 N 1.03 3.39 0.00 -0.88 1.43 0.81 -4.97 118.68 119.49 2bba s LEU 166 Ca 0.02 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2bba s LEU 166 Cb -0.14 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2bba s LEU 166 CO 0.01 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.56 2bba n GLY 167 N 2.26 0.73 3.77 -3.19 0.00 -1.26 -1.30 105.19 106.19 2bba n GLY 167 Ca -0.18 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.33 2bba n GLY 167 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bba s PRO 168 N -1.01 4.35 0.02 1.61 0.04 -1.26 -5.05 135.00 133.69 2bba s PRO 168 Ca 0.00 1.93 -0.04 0.00 0.04 0.00 0.00 61.00 62.93 2bba s PRO 168 Cb 0.00 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 2bba s PRO 168 CO 0.00 -0.09 0.23 -0.51 0.04 0.00 0.00 177.00 176.67 2bba s LEU 169 N -1.93 4.36 0.00 -3.56 1.43 0.21 -5.01 118.68 114.18 2bba s LEU 169 Ca 0.50 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 2bba s LEU 169 Cb -0.34 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.13 2bba s LEU 169 CO 0.43 0.23 0.00 -1.54 0.23 0.00 0.00 176.35 175.70 2bba n SER 170 N 0.82 0.00 -4.86 2.29 3.41 -1.26 -4.76 113.62 109.27 2bba n SER 170 Ca -0.09 -0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.29 2bba n SER 170 Cb 0.52 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.54 2bba n SER 170 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2bba s LYS 171 N -0.00 2.17 0.41 4.33 1.02 -1.26 -5.00 119.74 121.40 2bba s LYS 171 Ca 0.00 -0.83 0.10 0.00 0.02 0.00 0.00 55.97 55.26 2bba s LYS 171 Cb 0.00 -2.39 0.86 0.00 -0.52 0.00 0.00 37.83 35.78 2bba s LYS 171 CO 0.00 -1.06 1.96 0.00 -0.92 0.00 0.00 175.35 175.33 2bba h ALA 172 N -0.25 1.59 -2.83 5.17 0.00 -1.80 -3.44 119.26 117.70 2bba h ALA 172 Ca -0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 2bba h ALA 172 Cb 1.29 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2bba h ALA 172 CO 0.49 0.30 0.24 0.41 0.00 0.00 0.00 179.25 180.68 2bba n GLY 173 N -1.01 1.13 3.30 0.00 0.00 -0.84 -1.21 105.19 106.56 2bba n GLY 173 Ca -0.01 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 2bba n GLY 173 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bba s PHE 174 N -3.22 -0.13 -0.04 1.61 -0.12 -0.60 -0.92 117.98 114.56 2bba s PHE 174 Ca 0.13 -0.21 0.02 0.00 -0.05 0.00 0.00 56.93 56.83 2bba s PHE 174 Cb -0.04 0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.52 2bba s PHE 174 CO 0.10 -0.68 -0.07 0.71 -0.05 0.00 0.00 175.22 175.23 2bba s TYR 175 N -3.82 2.90 0.01 3.49 2.02 -0.19 -0.58 117.35 121.18 2bba s TYR 175 Ca 0.04 -0.01 -0.01 0.00 -0.37 0.00 0.00 57.07 56.71 2bba s TYR 175 Cb 0.02 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 2bba s TYR 175 CO -0.12 0.34 0.14 -1.17 -1.57 0.00 0.00 175.55 173.18 2bba s LEU 176 N -1.07 4.17 0.03 -1.29 2.96 -1.26 -1.59 118.68 120.63 2bba s LEU 176 Ca 0.14 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.32 2bba s LEU 176 Cb -0.11 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 2bba s LEU 176 CO 0.04 0.25 -0.07 0.00 -1.32 0.00 0.00 176.35 175.25 2bba s ALA 177 N -1.30 0.50 -0.08 5.97 0.00 -0.16 -1.02 121.76 125.68 2bba s ALA 177 Ca 0.27 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.61 2bba s ALA 177 Cb -0.12 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2bba s ALA 177 CO 0.18 -0.01 -0.21 -0.06 0.00 0.00 0.00 175.76 175.66 2bba s PHE 178 N -1.18 2.26 -0.18 0.00 0.08 0.53 -0.96 117.98 118.52 2bba s PHE 178 Ca -0.09 -0.85 -0.02 0.00 0.12 0.00 0.00 56.93 56.10 2bba s PHE 178 Cb -0.09 -1.52 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 2bba s PHE 178 CO 0.00 -0.34 -0.10 -1.14 -0.10 0.00 0.00 175.22 173.55 2bba s GLN 179 N 0.29 3.33 -0.03 0.44 0.74 -0.24 -1.32 119.66 122.88 2bba s GLN 179 Ca -0.14 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 54.60 2bba s GLN 179 Cb -0.16 -2.81 -0.03 0.00 1.10 0.00 0.00 33.01 31.10 2bba s GLN 179 CO 0.07 -0.04 0.00 0.34 -0.55 0.00 0.00 175.29 175.10 2bba s ASP 180 N 1.03 5.17 -0.36 6.67 2.15 -0.29 -1.62 116.67 129.41 2bba s ASP 180 Ca -0.00 0.04 0.03 0.00 0.43 0.00 0.00 52.55 53.05 2bba s ASP 180 Cb -0.15 -1.39 0.16 0.00 -0.30 0.00 0.00 42.92 41.24 2bba s ASP 180 CO -0.01 0.31 0.41 -1.58 -0.17 0.00 0.00 175.17 174.13 2bba s GLN 181 N -1.34 0.62 0.00 4.34 0.74 -1.26 -0.61 119.66 122.15 2bba s GLN 181 Ca 0.18 -0.63 0.00 0.00 0.05 0.00 0.00 55.36 54.95 2bba s GLN 181 Cb -0.11 -0.57 0.00 0.00 1.10 0.00 0.00 33.01 33.43 2bba s GLN 181 CO 0.08 -1.17 0.00 0.41 -0.55 0.00 0.00 175.29 174.06 2bba n GLY 182 N 4.45 0.47 3.93 2.59 0.00 -0.86 -4.64 105.19 111.13 2bba n GLY 182 Ca 0.09 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 2bba n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bba s ALA 183 N -2.00 4.32 -0.29 4.61 0.00 -1.26 -0.66 121.76 126.49 2bba s ALA 183 Ca 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.16 2bba s ALA 183 Cb 0.00 -1.10 0.10 0.00 0.00 0.00 0.00 23.12 22.12 2bba s ALA 183 CO 0.00 -0.40 0.13 0.00 0.00 0.00 0.00 175.76 175.49 2bba s MET 185 N 2.08 0.77 -0.17 0.00 0.23 -0.06 -0.78 119.30 121.36 2bba s MET 185 Ca 0.09 -0.64 0.01 0.00 -1.03 0.00 0.00 55.69 54.11 2bba s MET 185 Cb -0.16 0.33 0.01 0.00 -1.53 0.00 0.00 34.83 33.48 2bba s MET 185 CO -0.35 -0.24 -0.18 0.00 -2.03 0.00 0.00 175.02 172.22 2bba s ALA 186 N -2.81 2.38 -0.56 3.16 0.00 -0.52 -1.86 121.76 121.55 2bba s ALA 186 Ca -0.03 -1.18 -0.24 0.00 0.00 0.00 0.00 51.96 50.51 2bba s ALA 186 Cb 0.00 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 21.96 2bba s ALA 186 CO -0.05 -0.27 0.97 -1.17 0.00 0.00 0.00 175.76 175.24 2bba s LEU 187 N 1.19 4.04 0.02 0.00 2.96 0.94 -1.02 118.68 126.81 2bba s LEU 187 Ca 0.02 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.64 2bba s LEU 187 Cb -0.14 -2.83 -0.24 0.00 0.50 0.00 0.00 46.19 43.48 2bba s LEU 187 CO -0.09 -1.27 0.90 -0.07 -1.32 0.00 0.00 176.35 174.50 2bba h LEU 188 N 11.11 0.14 -7.00 -0.68 3.38 -1.24 -2.15 115.31 118.87 2bba h LEU 188 Ca -0.26 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.52 2bba h LEU 188 Cb 1.07 -0.04 -0.21 0.00 0.09 0.00 0.00 40.66 41.57 2bba h LEU 188 CO 1.11 1.17 0.37 -0.94 0.09 0.00 0.00 178.44 180.24 2bba s SER 189 N -6.59 -0.51 -0.06 -0.43 1.04 -1.07 -4.73 113.70 101.36 2bba s SER 189 Ca -0.05 0.53 0.03 0.00 0.48 0.00 0.00 55.95 56.94 2bba s SER 189 Cb 0.08 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.63 2bba s SER 189 CO 0.83 -0.49 -0.13 -0.22 0.98 0.00 0.00 173.24 174.21 2bba s LEU 190 N -1.23 1.73 -0.15 2.42 2.96 -1.26 -1.88 118.68 121.27 2bba s LEU 190 Ca -0.06 -0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2bba s LEU 190 Cb -0.00 -0.84 0.04 0.00 0.50 0.00 0.00 46.19 45.89 2bba s LEU 190 CO 0.05 0.06 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.86 2bba s HIS 191 N 0.48 1.19 -0.16 5.38 5.65 -0.54 -1.41 115.29 125.87 2bba s HIS 191 Ca -0.11 -0.76 -0.11 0.00 0.25 0.00 0.00 55.06 54.33 2bba s HIS 191 Cb -0.14 -1.08 -0.05 0.00 -1.18 0.00 0.00 32.58 30.13 2bba s HIS 191 CO 0.03 -0.54 0.20 -0.51 -0.65 0.00 0.00 174.74 173.28 2bba s LEU 192 N 1.80 4.27 0.17 8.88 1.43 0.10 -0.85 118.68 134.49 2bba s LEU 192 Ca 0.01 0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 2bba s LEU 192 Cb -0.15 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2bba s LEU 192 CO -0.07 0.21 0.38 0.72 0.23 0.00 0.00 176.35 177.82 2bba s PHE 193 N 0.05 0.13 0.15 0.29 -0.12 -0.38 -0.68 117.98 117.42 2bba s PHE 193 Ca 0.13 -0.49 -0.00 0.00 -0.05 0.00 0.00 56.93 56.52 2bba s PHE 193 Cb -0.12 0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 2bba s PHE 193 CO 0.02 -0.79 0.05 1.52 -0.05 0.00 0.00 175.22 175.97 2bba s TYR 194 N -3.91 1.00 -0.25 3.49 -0.85 -0.37 -0.40 117.35 116.06 2bba s TYR 194 Ca 0.12 -1.18 -0.19 0.00 -0.52 0.00 0.00 57.07 55.30 2bba s TYR 194 Cb 0.02 -0.56 -0.02 0.00 0.38 0.00 0.00 41.96 41.77 2bba s TYR 194 CO -0.03 -0.43 0.57 -1.59 -1.52 0.00 0.00 175.55 172.55 2bba s LYS 195 N -4.02 4.11 0.00 -3.49 0.00 -1.26 -0.87 119.74 114.21 2bba s LYS 195 Ca 0.25 0.45 0.09 0.00 0.00 0.00 0.00 55.97 56.76 2bba s LYS 195 Cb 0.07 -3.64 0.07 0.00 0.00 0.00 0.00 37.83 34.34 2bba s LYS 195 CO 0.03 -0.35 0.80 1.17 0.00 0.00 0.00 175.35 177.00