#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba s ILE 2 N 0.00 2.09 0.43 3.17 -5.25 -1.26 -4.53 121.20 115.85 2qba s ILE 2 Ca 0.00 0.03 0.03 0.00 -0.99 0.00 0.00 60.65 59.72 2qba s ILE 2 Cb 0.00 -2.07 0.03 0.00 2.95 0.00 0.00 42.46 43.37 2qba s ILE 2 CO 0.00 -0.04 0.26 0.61 -1.79 0.00 0.00 174.94 173.99 2qba n GLY 3 N 0.28 2.98 3.40 6.27 0.00 -1.26 -4.71 105.19 112.15 2qba n GLY 3 Ca 0.10 -2.29 -0.24 0.00 0.00 0.00 0.00 46.02 43.59 2qba n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qba s LEU 4 N 0.00 2.48 -0.30 0.99 2.01 0.26 -4.98 118.68 119.14 2qba s LEU 4 Ca 0.20 -0.92 -0.11 0.00 0.01 0.00 0.00 54.13 53.31 2qba s LEU 4 Cb -0.02 -1.02 -0.03 0.00 0.01 0.00 0.00 46.19 45.14 2qba s LEU 4 CO 0.13 0.03 0.19 -0.69 1.01 0.00 0.00 176.35 177.02 2qba s VAL 5 N -2.08 5.09 0.00 -1.59 1.01 -1.26 -1.28 120.40 120.29 2qba s VAL 5 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2qba s VAL 5 Cb -0.06 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2qba s VAL 5 CO 0.10 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.96 2qba n GLY 6 N 5.05 5.35 2.68 4.51 0.00 0.15 -4.57 105.19 118.37 2qba n GLY 6 Ca -0.14 -2.08 -0.21 0.00 0.00 0.00 0.00 46.02 43.59 2qba n GLY 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qba s LYS 7 N 0.36 -0.02 0.32 1.61 2.20 -1.09 -2.53 119.74 120.59 2qba s LYS 7 Ca 0.00 0.30 -0.29 0.00 -0.36 0.00 0.00 55.97 55.62 2qba s LYS 7 Cb 0.00 -0.80 -0.13 0.00 -1.51 0.00 0.00 37.83 35.40 2qba s LYS 7 CO 0.00 -0.41 1.30 1.17 -0.36 0.00 0.00 175.35 177.04 2qba n LYS 8 N 5.30 2.06 0.00 4.03 3.00 -0.74 -3.38 118.16 128.43 2qba n LYS 8 Ca -0.04 0.72 0.00 0.00 -0.00 0.00 0.00 58.31 58.99 2qba n LYS 8 Cb 0.50 -2.31 0.00 0.00 0.00 0.00 0.00 35.03 33.22 2qba n LYS 8 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2qba n VAL 9 N 0.67 0.00 0.00 3.15 3.14 -1.22 0.65 118.33 124.72 2qba n VAL 9 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2qba n VAL 9 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 2qba n VAL 9 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2qba n GLY 10 N 0.00 3.65 1.88 7.55 0.00 -1.25 -4.28 105.19 112.74 2qba n GLY 10 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 2qba n GLY 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2qba n MET 11 N 0.00 -1.25 -3.51 1.61 2.81 -0.15 -4.69 117.12 111.94 2qba n MET 11 Ca 0.00 1.31 -0.16 0.00 -1.81 0.00 0.00 57.70 57.04 2qba n MET 11 Cb 0.00 -2.40 -0.05 0.00 -0.71 0.00 0.00 33.22 30.06 2qba n MET 11 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2qba s THR 12 N -0.44 0.00 -0.27 2.03 2.01 -0.70 -4.98 115.64 113.30 2qba s THR 12 Ca -0.03 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.80 2qba s THR 12 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2qba s THR 12 CO 0.26 0.00 0.47 0.00 -0.69 0.00 0.00 174.62 174.66 2qba s ARG 13 N -1.62 4.04 -0.82 4.92 1.70 -1.26 -2.77 118.95 123.14 2qba s ARG 13 Ca -0.08 0.22 -0.06 0.00 -0.47 0.00 0.00 55.73 55.34 2qba s ARG 13 Cb -0.00 -3.66 0.21 0.00 -0.57 0.00 0.00 34.95 30.93 2qba s ARG 13 CO 0.05 -0.33 0.72 -1.50 -1.08 0.00 0.00 175.30 173.16 2qba s ILE 14 N 2.23 4.73 0.86 4.99 2.07 -0.99 -4.85 121.20 130.24 2qba s ILE 14 Ca 0.19 -3.15 -0.15 0.00 -1.41 0.00 0.00 60.65 56.13 2qba s ILE 14 Cb -0.16 -3.95 -0.02 0.00 0.13 0.00 0.00 42.46 38.46 2qba s ILE 14 CO 0.09 -1.02 0.28 0.49 -1.91 0.00 0.00 174.94 172.88 2qba n PHE 15 N 3.18 -1.73 -4.32 3.50 3.01 -1.26 -3.21 117.46 116.62 2qba n PHE 15 Ca 0.16 0.25 -0.28 0.00 1.01 0.00 0.00 57.45 58.59 2qba n PHE 15 Cb 0.40 -1.78 -0.10 0.00 -0.01 0.00 0.00 39.48 37.98 2qba n PHE 15 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2qba s THR 16 N -2.16 2.89 0.53 4.37 2.01 0.10 -4.88 115.64 118.49 2qba s THR 16 Ca 0.58 -1.70 0.22 0.00 0.31 0.00 0.00 61.69 61.10 2qba s THR 16 Cb -0.26 -2.39 0.35 0.00 0.01 0.00 0.00 72.50 70.20 2qba s THR 16 CO 0.66 -0.05 2.06 1.05 -0.69 0.00 0.00 174.62 177.65 2qba h GLU 17 N 3.23 0.00 0.00 4.92 -0.00 -1.95 0.22 114.58 121.00 2qba h GLU 17 Ca -0.48 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 58.81 2qba h GLU 17 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.93 2qba h GLU 17 CO 0.50 0.00 -0.36 0.38 -0.00 0.00 0.00 179.01 179.53 2qba h ASP 18 N 0.00 0.00 0.00 3.06 3.04 -2.03 -3.47 116.42 117.02 2qba h ASP 18 Ca 0.15 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.94 2qba h ASP 18 Cb 0.61 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.90 2qba h ASP 18 CO -0.00 0.36 0.00 0.61 -2.04 0.00 0.00 179.24 178.17 2qba n GLY 19 N 0.47 0.91 2.97 7.15 0.00 0.76 -5.14 105.19 112.31 2qba n GLY 19 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2qba n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qba s VAL 20 N -1.40 0.93 -0.04 1.61 1.01 -1.24 -4.88 120.40 116.39 2qba s VAL 20 Ca 0.00 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.40 2qba s VAL 20 Cb 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2qba s VAL 20 CO 0.00 0.31 0.71 -0.55 0.00 0.00 0.00 175.10 175.57 2qba s SER 21 N 0.84 7.03 -0.24 3.32 0.15 -1.26 0.02 113.70 123.56 2qba s SER 21 Ca -0.12 1.24 -0.02 0.00 0.70 0.00 0.00 55.95 57.75 2qba s SER 21 Cb -0.15 -2.42 0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2qba s SER 21 CO 0.01 -0.07 -0.05 -0.63 1.20 0.00 0.00 173.24 173.70 2qba s ILE 22 N 0.56 3.02 0.28 6.45 1.01 -1.20 -4.92 121.20 126.40 2qba s ILE 22 Ca 0.37 -0.88 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 2qba s ILE 22 Cb -0.18 -2.49 -0.10 0.00 0.01 0.00 0.00 42.46 39.70 2qba s ILE 22 CO 0.19 0.26 1.39 -2.84 0.00 0.00 0.00 174.94 173.94 2qba s PRO 23 N 1.37 4.30 -0.26 2.79 0.02 -1.26 -2.36 135.00 139.60 2qba s PRO 23 Ca 0.02 2.27 -0.22 0.00 0.02 0.00 0.00 61.00 63.09 2qba s PRO 23 Cb -0.16 -3.10 0.07 0.00 0.02 0.00 0.00 34.50 31.33 2qba s PRO 23 CO -0.04 -0.34 0.68 0.54 -0.33 0.00 0.00 177.00 177.51 2qba s VAL 24 N -0.41 -0.00 0.10 3.83 0.11 -1.12 -2.73 120.40 120.19 2qba s VAL 24 Ca 0.55 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.52 2qba s VAL 24 Cb -0.41 -0.95 -0.06 0.00 -1.53 0.00 0.00 36.38 33.43 2qba s VAL 24 CO 0.47 0.00 0.40 -0.89 -3.33 0.00 0.00 175.10 171.75 2qba s THR 25 N 0.62 5.11 -0.67 5.04 2.01 -1.26 -0.97 115.64 125.52 2qba s THR 25 Ca -0.02 0.33 -0.09 0.00 0.31 0.00 0.00 61.69 62.22 2qba s THR 25 Cb -0.05 -3.63 0.17 0.00 0.01 0.00 0.00 72.50 69.00 2qba s THR 25 CO -0.03 0.20 0.55 -0.69 -0.69 0.00 0.00 174.62 173.96 2qba s VAL 26 N -1.50 4.61 0.23 3.82 1.01 -1.26 -2.56 120.40 124.75 2qba s VAL 26 Ca 0.36 -2.47 -0.21 0.00 0.00 0.00 0.00 61.98 59.65 2qba s VAL 26 Cb -0.13 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 2qba s VAL 26 CO 0.20 -0.92 0.76 -0.63 0.00 0.00 0.00 175.10 174.52 2qba s ILE 27 N 0.38 4.49 -0.21 2.22 1.01 -0.63 -3.40 121.20 125.05 2qba s ILE 27 Ca 0.14 1.42 0.02 0.00 0.00 0.00 0.00 60.65 62.23 2qba s ILE 27 Cb -0.18 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.41 2qba s ILE 27 CO -0.05 0.24 -0.15 -0.70 0.00 0.00 0.00 174.94 174.29 2qba s GLU 28 N -1.87 2.51 -0.81 2.79 2.12 -1.22 -1.46 118.70 120.76 2qba s GLU 28 Ca 0.43 -1.02 -0.08 0.00 0.36 0.00 0.00 54.97 54.66 2qba s GLU 28 Cb -0.18 -2.64 0.21 0.00 0.26 0.00 0.00 34.13 31.78 2qba s GLU 28 CO 0.22 -0.39 0.72 0.08 -0.54 0.00 0.00 175.26 175.35 2qba s VAL 29 N 1.25 4.92 -0.69 3.70 1.01 -0.13 -2.66 120.40 127.80 2qba s VAL 29 Ca -0.01 -2.94 -0.07 0.00 0.00 0.00 0.00 61.98 58.96 2qba s VAL 29 Cb -0.16 -4.07 -0.15 0.00 0.00 0.00 0.00 36.38 32.00 2qba s VAL 29 CO -0.09 -1.01 2.91 -0.62 0.00 0.00 0.00 175.10 176.29 2qba n GLU 30 N 3.42 2.42 -1.82 2.72 1.02 -1.26 -4.00 120.64 123.14 2qba n GLU 30 Ca 0.14 -1.39 0.00 0.00 -0.02 0.00 0.00 57.16 55.89 2qba n GLU 30 Cb 0.42 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 2qba n GLU 30 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qba n ALA 31 N 3.18 -2.10 -3.59 0.62 0.00 -1.26 -4.85 120.51 112.52 2qba n ALA 31 Ca 0.52 0.45 -0.36 0.00 0.00 0.00 0.00 53.44 54.05 2qba n ALA 31 Cb 0.49 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 2qba n ALA 31 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qba n ASN 32 N 0.81 4.29 -4.62 0.00 4.13 0.25 -4.30 115.26 115.82 2qba n ASN 32 Ca 0.00 -3.18 -0.43 0.00 1.68 0.00 0.00 54.58 52.65 2qba n ASN 32 Cb 0.00 -1.03 -0.03 0.00 -1.54 0.00 0.00 39.78 37.18 2qba n ASN 32 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qba s ARG 33 N -1.57 3.56 -0.11 3.52 1.70 -0.94 -3.27 118.95 121.84 2qba s ARG 33 Ca 0.29 1.94 -0.35 0.00 -0.47 0.00 0.00 55.73 57.14 2qba s ARG 33 Cb -0.04 -4.21 -0.12 0.00 -0.57 0.00 0.00 34.95 30.01 2qba s ARG 33 CO -0.11 -1.60 1.86 1.55 -1.08 0.00 0.00 175.30 175.92 2qba n VAL 34 N 6.88 0.54 0.16 4.99 3.14 -1.26 -2.55 118.33 130.22 2qba n VAL 34 Ca 0.24 -0.10 0.07 0.00 -2.96 0.00 0.00 64.34 61.58 2qba n VAL 34 Cb 0.45 -1.79 0.07 0.00 -1.06 0.00 0.00 33.84 31.50 2qba n VAL 34 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 2qba h THR 35 N 5.40 0.43 0.00 1.55 1.35 0.60 -2.19 112.91 120.06 2qba h THR 35 Ca -0.48 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 2qba h THR 35 Cb 1.28 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 2qba h THR 35 CO 0.95 0.24 0.00 0.00 -0.25 0.00 0.00 175.52 176.46 2qba n GLN 36 N -3.10 0.00 -3.08 4.72 10.64 -1.10 -4.60 117.38 120.87 2qba n GLN 36 Ca 0.02 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.80 2qba n GLN 36 Cb 0.65 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.97 2qba n GLN 36 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2qba s VAL 37 N -0.13 4.50 -0.44 -0.39 1.01 -1.26 -0.68 120.40 123.00 2qba s VAL 37 Ca 0.00 1.52 -0.14 0.00 0.00 0.00 0.00 61.98 63.35 2qba s VAL 37 Cb 0.00 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.40 2qba s VAL 37 CO 0.00 0.51 0.34 -0.54 0.00 0.00 0.00 175.10 175.41 2qba s LYS 38 N -1.21 2.93 0.51 2.72 1.02 0.96 -4.96 119.74 121.71 2qba s LYS 38 Ca 0.34 -1.26 -0.22 0.00 0.02 0.00 0.00 55.97 54.85 2qba s LYS 38 Cb -0.21 -4.03 -0.07 0.00 -0.52 0.00 0.00 37.83 33.00 2qba s LYS 38 CO 0.24 -0.93 1.25 -3.47 -0.92 0.00 0.00 175.35 171.52 2qba n ASP 39 N 5.15 2.26 -0.20 2.83 2.03 -1.26 -3.20 116.55 124.15 2qba n ASP 39 Ca -0.12 0.99 0.10 0.00 0.52 0.00 0.00 54.79 56.28 2qba n ASP 39 Cb 0.45 -1.51 0.48 0.00 -0.72 0.00 0.00 41.12 39.81 2qba n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qba n LEU 40 N -0.55 0.60 0.00 -2.67 -0.00 -1.07 -1.58 117.00 111.73 2qba n LEU 40 Ca 0.10 -0.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 2qba n LEU 40 Cb 0.43 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 2qba n LEU 40 CO 0.54 0.13 -0.01 0.00 -0.00 0.00 0.00 177.39 178.05 2qba n ALA 41 N -0.38 1.13 0.43 1.47 0.00 -1.26 -3.91 120.51 117.98 2qba n ALA 41 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.64 2qba n ALA 41 Cb 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.54 2qba n ALA 41 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qba n ASN 42 N -0.58 0.81 0.00 0.00 5.15 -1.21 -4.75 115.26 114.69 2qba n ASN 42 Ca 0.00 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.34 2qba n ASN 42 Cb 0.00 1.08 0.00 0.00 -0.53 0.00 0.00 39.78 40.33 2qba n ASN 42 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2qba n ASP 43 N -1.35 0.73 0.00 1.20 9.92 -0.61 -4.92 116.55 121.51 2qba n ASP 43 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2qba n ASP 43 Cb 0.19 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 2qba n ASP 43 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qba n GLY 44 N 2.26 1.52 3.81 0.44 0.00 -1.14 -5.03 105.19 107.05 2qba n GLY 44 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2qba n GLY 44 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qba s TYR 45 N -1.99 -0.06 -0.50 1.61 1.13 -1.24 -4.94 117.35 111.35 2qba s TYR 45 Ca 0.00 -0.35 -0.13 0.00 -1.41 0.00 0.00 57.07 55.18 2qba s TYR 45 Cb 0.00 0.70 0.12 0.00 -1.10 0.00 0.00 41.96 41.68 2qba s TYR 45 CO 0.00 -1.04 0.42 1.03 -2.51 0.00 0.00 175.55 173.45 2qba s ARG 46 N -3.02 2.73 0.15 -3.49 1.81 -1.26 -2.61 118.95 113.26 2qba s ARG 46 Ca 0.15 -1.73 -0.03 0.00 -1.72 0.00 0.00 55.73 52.39 2qba s ARG 46 Cb -0.03 -4.11 -0.03 0.00 -0.45 0.00 0.00 34.95 30.33 2qba s ARG 46 CO 0.05 -1.26 0.13 0.00 -0.68 0.00 0.00 175.30 173.54 2qba s ALA 47 N 1.48 0.68 -0.05 2.13 0.00 -1.20 -0.62 121.76 124.18 2qba s ALA 47 Ca 0.04 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 2qba s ALA 47 Cb -0.28 0.94 0.04 0.00 0.00 0.00 0.00 23.12 23.81 2qba s ALA 47 CO 0.01 -0.55 0.10 -1.50 0.00 0.00 0.00 175.76 173.83 2qba s ILE 48 N -4.04 -0.11 0.01 0.00 2.07 -1.04 -0.03 121.20 118.06 2qba s ILE 48 Ca 0.24 0.27 -0.12 0.00 -1.41 0.00 0.00 60.65 59.63 2qba s ILE 48 Cb 0.06 -0.19 -0.05 0.00 0.13 0.00 0.00 42.46 42.41 2qba s ILE 48 CO 0.03 0.11 0.37 -1.58 -1.91 0.00 0.00 174.94 171.96 2qba s GLN 49 N 1.53 3.80 0.28 3.50 0.74 0.14 -0.32 119.66 129.33 2qba s GLN 49 Ca -0.04 0.25 0.06 0.00 0.05 0.00 0.00 55.36 55.68 2qba s GLN 49 Cb -0.12 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 30.83 2qba s GLN 49 CO -0.05 0.66 0.21 1.33 -0.55 0.00 0.00 175.29 176.89 2qba n VAL 50 N 1.52 0.00 -3.94 1.34 0.24 -0.75 0.12 118.33 116.85 2qba n VAL 50 Ca -0.13 -1.99 -0.08 0.00 -2.04 0.00 0.00 64.34 60.10 2qba n VAL 50 Cb 0.53 0.94 -0.04 0.00 -1.47 0.00 0.00 33.84 33.80 2qba n VAL 50 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2qba s THR 51 N -3.05 0.00 0.00 3.34 2.01 -1.06 -2.36 115.64 114.51 2qba s THR 51 Ca 0.30 -1.24 0.00 0.00 0.31 0.00 0.00 61.69 61.06 2qba s THR 51 Cb 0.01 -2.16 0.00 0.00 0.01 0.00 0.00 72.50 70.37 2qba s THR 51 CO 0.21 0.00 0.00 0.41 -0.69 0.00 0.00 174.62 174.55 2qba n THR 52 N -0.42 0.00 -0.04 -0.82 -1.04 -1.26 -2.22 114.28 108.48 2qba n THR 52 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2qba n THR 52 Cb 0.61 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 2qba n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qba n GLY 53 N -0.11 1.00 2.96 3.41 0.00 -1.26 -4.82 105.19 106.36 2qba n GLY 53 Ca 0.00 -1.44 0.04 0.00 0.00 0.00 0.00 46.02 44.62 2qba n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qba s ALA 54 N -3.89 -4.25 0.65 4.61 0.00 -1.26 -3.99 121.76 113.62 2qba s ALA 54 Ca 0.00 1.31 -0.17 0.00 0.00 0.00 0.00 51.96 53.10 2qba s ALA 54 Cb 0.00 -2.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.13 2qba s ALA 54 CO 0.00 -2.30 0.55 1.63 0.00 0.00 0.00 175.76 175.63 2qba n LYS 55 N 4.38 0.43 -0.01 0.00 4.76 -1.25 -4.62 118.16 121.85 2qba n LYS 55 Ca 0.08 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 2qba n LYS 55 Cb 0.61 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 2qba n LYS 55 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2qba n LYS 56 N -0.45 0.80 -2.26 1.97 2.85 -1.26 -4.73 118.16 115.08 2qba n LYS 56 Ca 0.11 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.30 2qba n LYS 56 Cb 0.49 -1.10 -0.01 0.00 -0.65 0.00 0.00 35.03 33.76 2qba n LYS 56 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2qba n ALA 57 N 0.63 -0.74 0.07 0.58 0.00 -1.26 -4.65 120.51 115.13 2qba n ALA 57 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2qba n ALA 57 Cb 0.40 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2qba n ALA 57 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qba n ASN 58 N -1.38 0.39 0.00 0.00 3.02 -1.26 -4.77 115.26 111.27 2qba n ASN 58 Ca -0.08 0.22 0.08 0.00 -0.03 0.00 0.00 54.58 54.77 2qba n ASN 58 Cb 0.51 -0.00 0.47 0.00 -0.61 0.00 0.00 39.78 40.15 2qba n ASN 58 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qba n ARG 59 N -3.22 0.43 -2.67 3.52 5.12 -1.26 -4.51 116.66 114.07 2qba n ARG 59 Ca 0.00 0.04 -0.42 0.00 -1.93 0.00 0.00 57.85 55.54 2qba n ARG 59 Cb 0.00 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.77 2qba n ARG 59 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2qba s VAL 60 N -2.18 4.07 0.78 1.55 1.01 -1.26 -5.00 120.40 119.36 2qba s VAL 60 Ca 0.22 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 2qba s VAL 60 Cb 0.11 -4.91 0.04 0.00 0.00 0.00 0.00 36.38 31.63 2qba s VAL 60 CO 0.21 -1.76 1.05 0.35 0.00 0.00 0.00 175.10 174.95 2qba n THR 61 N 6.33 2.31 -0.19 3.92 -2.24 -1.26 -4.63 114.28 118.52 2qba n THR 61 Ca 0.16 -0.28 -0.04 0.00 -2.27 0.00 0.00 64.05 61.62 2qba n THR 61 Cb 0.49 -1.12 0.06 0.00 -2.10 0.00 0.00 70.33 67.66 2qba n THR 61 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2qba h LYS 62 N -0.63 0.56 0.00 -0.78 6.56 -1.96 0.30 116.57 120.63 2qba h LYS 62 Ca -0.47 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 2qba h LYS 62 Cb 1.31 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2qba h LYS 62 CO 0.46 0.37 0.07 -2.30 -2.06 0.00 0.00 179.45 175.98 2qba n PRO 63 N -4.84 0.04 -0.11 3.15 -0.02 -1.26 0.11 135.00 132.07 2qba n PRO 63 Ca 0.05 0.49 -0.24 0.00 -2.02 0.00 0.00 63.50 61.78 2qba n PRO 63 Cb 0.13 -1.69 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 2qba n PRO 63 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qba n GLU 64 N -1.66 0.60 0.09 -0.52 1.02 0.91 -3.64 120.64 117.44 2qba n GLU 64 Ca -0.00 0.39 -0.02 0.00 -0.02 0.00 0.00 57.16 57.51 2qba n GLU 64 Cb 0.08 -1.63 0.24 0.00 -0.02 0.00 0.00 31.44 30.11 2qba n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qba h ALA 65 N -0.56 1.16 -0.55 0.62 0.00 0.45 -1.98 119.26 118.40 2qba h ALA 65 Ca -0.51 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 53.95 2qba h ALA 65 Cb 1.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2qba h ALA 65 CO -0.24 0.56 0.04 0.78 0.00 0.00 0.00 179.25 180.38 2qba h GLY 66 N 1.14 1.02 2.00 0.00 0.00 0.55 0.49 103.07 108.27 2qba h GLY 66 Ca 0.03 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.58 2qba h GLY 66 CO 0.06 0.67 -0.25 0.84 0.00 0.00 0.00 176.54 177.85 2qba h HIS 67 N 0.83 0.00 0.10 5.60 6.17 -1.57 -0.97 115.15 125.32 2qba h HIS 67 Ca 0.16 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.24 2qba h HIS 67 Cb 0.48 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.41 2qba h HIS 67 CO 0.04 0.25 -0.05 0.74 0.71 0.00 0.00 177.93 179.62 2qba h PHE 68 N 0.00 -0.12 -0.98 5.26 0.05 -0.58 -3.31 116.94 117.26 2qba h PHE 68 Ca -0.00 -0.00 0.14 0.00 3.82 0.00 0.00 57.97 61.92 2qba h PHE 68 Cb 0.59 0.04 -0.08 0.00 2.00 0.00 0.00 35.95 38.49 2qba h PHE 68 CO 0.00 0.34 0.62 0.00 -0.18 0.00 0.00 178.31 179.08 2qba h ALA 69 N -0.41 1.63 -0.90 2.45 0.00 0.09 0.30 119.26 122.42 2qba h ALA 69 Ca -0.01 0.03 0.26 0.00 0.00 0.00 0.00 54.91 55.19 2qba h ALA 69 Cb 0.52 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2qba h ALA 69 CO 0.02 0.10 0.69 -0.22 0.00 0.00 0.00 179.25 179.84 2qba h LYS 70 N 0.88 0.00 0.00 0.00 3.11 -1.26 -3.41 116.57 115.88 2qba h LYS 70 Ca 0.50 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.34 2qba h LYS 70 Cb 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 2qba h LYS 70 CO -0.27 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.37 2qba n ALA 71 N -2.65 0.00 -1.31 5.00 0.00 0.88 -4.99 120.51 117.44 2qba n ALA 71 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.24 2qba n ALA 71 Cb 1.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.42 2qba n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qba n GLY 72 N 3.89 4.24 2.99 0.00 0.00 -1.23 -4.95 105.19 110.13 2qba n GLY 72 Ca 0.00 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 2qba n GLY 72 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qba n VAL 73 N 3.60 0.95 0.00 1.61 3.14 -0.12 -4.70 118.33 122.82 2qba n VAL 73 Ca 0.78 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 61.71 2qba n VAL 73 Cb 0.23 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.01 2qba n VAL 73 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2qba n GLU 74 N 1.11 0.00 0.00 1.45 2.13 -1.26 -4.94 120.64 119.13 2qba n GLU 74 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2qba n GLU 74 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.03 2qba n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qba n ALA 75 N 0.00 0.00 0.00 4.31 0.00 -1.26 -4.72 120.51 118.84 2qba n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qba n ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qba n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qba n GLY 76 N 0.00 4.42 0.46 0.00 0.00 -1.26 -4.65 105.19 104.16 2qba n GLY 76 Ca 0.00 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 2qba n GLY 76 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qba h ARG 77 N 0.00 -0.58 0.00 1.61 3.08 -1.88 -3.34 114.38 113.27 2qba h ARG 77 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2qba h ARG 77 Cb 0.00 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2qba h ARG 77 CO 0.00 -0.39 0.00 0.41 -1.07 0.00 0.00 179.97 178.92 2qba n GLY 78 N -1.45 3.09 3.24 0.04 0.00 -1.26 -4.96 105.19 103.89 2qba n GLY 78 Ca -0.06 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 2qba n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qba s LEU 79 N 0.00 2.03 -0.14 0.99 2.01 -1.26 -4.51 118.68 117.81 2qba s LEU 79 Ca 0.00 -0.42 -0.03 0.00 0.01 0.00 0.00 54.13 53.69 2qba s LEU 79 Cb 0.00 -1.17 0.05 0.00 0.01 0.00 0.00 46.19 45.08 2qba s LEU 79 CO 0.00 0.26 0.05 0.26 1.01 0.00 0.00 176.35 177.93 2qba s TRP 80 N -0.42 0.59 0.88 0.29 0.51 -1.00 -4.95 118.94 114.84 2qba s TRP 80 Ca 0.06 -0.40 -0.11 0.00 -2.12 0.00 0.00 56.10 53.52 2qba s TRP 80 Cb -0.10 -0.81 0.12 0.00 -0.81 0.00 0.00 33.47 31.87 2qba s TRP 80 CO 0.00 -0.46 1.09 -2.00 -0.51 0.00 0.00 176.95 175.07 2qba s GLU 81 N 2.00 1.40 -0.39 4.98 2.12 -1.26 -1.81 118.70 125.74 2qba s GLU 81 Ca 0.02 0.83 0.06 0.00 0.36 0.00 0.00 54.97 56.24 2qba s GLU 81 Cb -0.15 -1.82 0.17 0.00 0.26 0.00 0.00 34.13 32.59 2qba s GLU 81 CO -0.07 -2.15 0.52 -0.06 -0.54 0.00 0.00 175.26 172.96 2qba s PHE 82 N -2.95 -1.08 0.25 5.30 0.08 0.56 -4.90 117.98 115.23 2qba s PHE 82 Ca 0.63 -0.24 -0.31 0.00 0.12 0.00 0.00 56.93 57.13 2qba s PHE 82 Cb -0.18 -0.01 -0.13 0.00 -0.57 0.00 0.00 43.02 42.13 2qba s PHE 82 CO 0.57 -1.09 1.40 0.54 -0.10 0.00 0.00 175.22 176.54 2qba n ARG 83 N 4.31 2.05 -4.16 0.44 5.12 -1.26 -2.50 116.66 120.66 2qba n ARG 83 Ca 0.11 0.73 -0.13 0.00 -1.93 0.00 0.00 57.85 56.63 2qba n ARG 83 Cb 0.52 -2.38 -0.08 0.00 -1.16 0.00 0.00 32.46 29.35 2qba n ARG 83 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2qba s LEU 84 N 0.03 1.09 -0.23 0.55 0.05 0.21 -4.74 118.68 115.62 2qba s LEU 84 Ca 0.67 -1.38 -0.21 0.00 0.05 0.00 0.00 54.13 53.26 2qba s LEU 84 Cb -0.64 0.82 0.06 0.00 -2.05 0.00 0.00 46.19 44.38 2qba s LEU 84 CO 0.50 -1.00 0.62 0.00 -0.55 0.00 0.00 176.35 175.92 2qba s ALA 85 N -3.85 -1.54 -1.30 1.48 0.00 -1.26 -4.50 121.76 110.79 2qba s ALA 85 Ca 0.35 1.79 0.00 0.00 0.00 0.00 0.00 51.96 54.10 2qba s ALA 85 Cb 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.12 2qba s ALA 85 CO 0.15 -0.30 0.00 0.39 0.00 0.00 0.00 175.76 176.01 2qba n GLU 86 N 2.90 -1.53 -4.55 0.00 -0.58 -1.26 -4.95 120.64 110.68 2qba n GLU 86 Ca -0.14 0.92 -0.25 0.00 -0.42 0.00 0.00 57.16 57.26 2qba n GLU 86 Cb 0.56 -5.26 -0.10 0.00 -0.57 0.00 0.00 31.44 26.07 2qba n GLU 86 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2qba s GLY 87 N -2.50 2.38 -0.00 0.62 0.00 -1.26 -5.17 107.32 101.39 2qba s GLY 87 Ca 0.00 -1.86 -0.05 0.00 0.00 0.00 0.00 44.72 42.80 2qba s GLY 87 CO 0.00 -1.95 0.10 -0.54 0.00 0.00 0.00 173.10 170.71 2qba s GLU 88 N -3.81 0.38 -0.04 2.90 2.02 -1.26 -5.10 118.70 113.79 2qba s GLU 88 Ca 0.31 -0.31 -0.02 0.00 0.02 0.00 0.00 54.97 54.97 2qba s GLU 88 Cb 0.08 0.16 0.03 0.00 0.10 0.00 0.00 34.13 34.49 2qba s GLU 88 CO 0.15 -0.08 0.07 -2.00 0.02 0.00 0.00 175.26 173.42 2qba s GLU 89 N -1.08 -0.04 -0.35 1.61 2.56 -1.26 -5.09 118.70 115.04 2qba s GLU 89 Ca -0.12 0.36 -0.29 0.00 0.00 0.00 0.00 54.97 54.92 2qba s GLU 89 Cb -0.07 -0.39 -0.08 0.00 2.00 0.00 0.00 34.13 35.60 2qba s GLU 89 CO 0.01 -0.28 2.29 1.19 -0.56 0.00 0.00 175.26 177.91 2qba n PHE 90 N 4.96 1.69 0.00 5.30 3.72 -1.26 -4.87 117.46 127.00 2qba n PHE 90 Ca -0.11 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2qba n PHE 90 Cb 0.50 -2.65 0.00 0.00 -0.94 0.00 0.00 39.48 36.39 2qba n PHE 90 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2qba n THR 91 N 7.70 0.00 -1.27 4.37 5.66 -1.26 -3.73 114.28 125.75 2qba n THR 91 Ca 0.36 0.08 -0.40 0.00 -3.05 0.00 0.00 64.05 61.04 2qba n THR 91 Cb 0.41 -0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 2qba n THR 91 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 2qba n VAL 92 N -0.39 0.30 -1.24 1.08 3.14 -1.26 -4.26 118.33 115.70 2qba n VAL 92 Ca 0.00 -0.50 -0.17 0.00 -2.96 0.00 0.00 64.34 60.71 2qba n VAL 92 Cb 0.00 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 32.61 2qba n VAL 92 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2qba n GLY 93 N 2.42 -0.38 0.00 7.55 0.00 -0.82 -4.64 105.19 109.33 2qba n GLY 93 Ca 0.09 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.21 2qba n GLY 93 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2qba n GLN 94 N 4.66 0.28 -2.85 1.61 7.27 -1.24 -4.75 117.38 122.35 2qba n GLN 94 Ca 0.51 0.09 -0.02 0.00 0.07 0.00 0.00 57.00 57.65 2qba n GLN 94 Cb 0.16 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.30 2qba n GLN 94 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2qba n SER 95 N -1.30 -4.91 -4.26 1.69 2.88 -1.26 -4.95 113.62 101.51 2qba n SER 95 Ca 0.10 1.11 -0.35 0.00 -1.33 0.00 0.00 58.87 58.40 2qba n SER 95 Cb 0.17 -3.68 -0.14 0.00 -0.75 0.00 0.00 64.21 59.80 2qba n SER 95 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2qba s ILE 96 N -0.74 3.08 0.00 2.46 1.09 -1.20 -4.90 121.20 120.99 2qba s ILE 96 Ca -0.11 -0.68 0.00 0.00 -1.10 0.00 0.00 60.65 58.76 2qba s ILE 96 Cb 0.01 -2.43 0.00 0.00 -1.06 0.00 0.00 42.46 38.98 2qba s ILE 96 CO 0.45 0.38 0.00 -0.24 -0.10 0.00 0.00 174.94 175.43 2qba n SER 97 N 4.75 0.25 0.26 3.58 2.88 -1.26 0.86 113.62 124.94 2qba n SER 97 Ca -0.18 -0.94 0.18 0.00 -1.33 0.00 0.00 58.87 56.60 2qba n SER 97 Cb 0.50 0.00 0.86 0.00 -0.75 0.00 0.00 64.21 64.81 2qba n SER 97 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2qba h VAL 98 N 0.12 0.17 -0.14 2.46 2.07 -1.92 0.17 116.25 119.18 2qba h VAL 98 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2qba h VAL 98 Cb 0.00 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2qba h VAL 98 CO 0.00 0.00 0.30 1.05 0.02 0.00 0.00 177.57 178.94 2qba h GLU 99 N 0.00 0.00 -0.92 1.57 -0.00 -1.93 0.50 114.58 113.80 2qba h GLU 99 Ca 0.06 0.00 0.18 0.00 -0.00 0.00 0.00 59.36 59.60 2qba h GLU 99 Cb 0.64 0.00 -0.10 0.00 -0.00 0.00 0.00 28.75 29.28 2qba h GLU 99 CO -0.00 0.00 0.50 1.25 -0.00 0.00 0.00 179.01 180.76 2qba h LEU 100 N 0.00 0.60 -9.98 3.06 7.12 -1.32 -3.39 115.31 111.39 2qba h LEU 100 Ca 0.07 0.10 -0.57 0.00 0.13 0.00 0.00 57.88 57.61 2qba h LEU 100 Cb 0.67 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.77 2qba h LEU 100 CO -0.00 0.20 -0.34 -0.36 -0.13 0.00 0.00 178.44 177.81 2qba s PHE 101 N -5.91 3.48 0.00 1.25 2.99 0.16 -4.85 117.98 115.11 2qba s PHE 101 Ca -0.12 0.45 0.00 0.00 0.00 0.00 0.00 56.93 57.26 2qba s PHE 101 Cb 0.24 -1.93 0.00 0.00 0.00 0.00 0.00 43.02 41.33 2qba s PHE 101 CO 0.79 0.43 0.00 0.00 -0.00 0.00 0.00 175.22 176.44 2qba n ALA 102 N -0.15 0.00 0.17 5.36 0.00 -1.26 -4.90 120.51 119.73 2qba n ALA 102 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 2qba n ALA 102 Cb 0.52 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.03 2qba n ALA 102 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qba n ASP 103 N 0.00 3.50 -4.00 0.00 10.43 -1.26 -4.73 116.55 120.50 2qba n ASP 103 Ca 0.00 -2.56 -0.30 0.00 2.57 0.00 0.00 54.79 54.50 2qba n ASP 103 Cb 0.00 -0.65 -0.16 0.00 1.84 0.00 0.00 41.12 42.14 2qba n ASP 103 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2qba s VAL 104 N -1.13 1.49 -1.84 2.53 1.01 -1.26 -4.98 120.40 116.22 2qba s VAL 104 Ca 0.19 -0.64 0.17 0.00 0.00 0.00 0.00 61.98 61.70 2qba s VAL 104 Cb 0.16 -1.44 0.28 0.00 0.00 0.00 0.00 36.38 35.37 2qba s VAL 104 CO 0.03 0.39 1.19 1.17 0.00 0.00 0.00 175.10 177.89 2qba n LYS 105 N 4.79 1.99 0.00 2.72 3.00 -1.26 -4.83 118.16 124.56 2qba n LYS 105 Ca -0.16 -1.87 0.00 0.00 -0.00 0.00 0.00 58.31 56.28 2qba n LYS 105 Cb 0.49 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 34.16 2qba n LYS 105 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2qba n LYS 106 N 1.00 0.00 -0.10 1.64 4.01 -1.26 -4.01 118.16 119.45 2qba n LYS 106 Ca 0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.94 2qba n LYS 106 Cb 0.47 -0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 34.99 2qba n LYS 106 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2qba n VAL 107 N 0.00 -0.15 0.03 -0.18 0.31 -1.17 -4.20 118.33 112.96 2qba n VAL 107 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2qba n VAL 107 Cb 0.00 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 2qba n VAL 107 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2qba n ASP 108 N -1.72 0.07 -2.17 4.52 10.43 0.12 -2.59 116.55 125.20 2qba n ASP 108 Ca -0.00 0.09 -0.02 0.00 2.57 0.00 0.00 54.79 57.42 2qba n ASP 108 Cb 0.03 0.04 -0.02 0.00 1.84 0.00 0.00 41.12 43.01 2qba n ASP 108 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 2qba n VAL 109 N -2.87-10.70 -3.64 2.53 0.31 -1.25 -2.89 118.33 99.83 2qba n VAL 109 Ca 0.00 2.30 -0.27 0.00 -0.01 0.00 0.00 64.34 66.35 2qba n VAL 109 Cb 0.14 -5.60 -0.10 0.00 -0.91 0.00 0.00 33.84 27.37 2qba n VAL 109 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2qba n THR 110 N 1.35 1.71 -1.57 2.52 -1.04 -1.19 -3.44 114.28 112.62 2qba n THR 110 Ca -0.15 -4.91 -0.30 0.00 -2.04 0.00 0.00 64.05 56.64 2qba n THR 110 Cb 0.24 -2.11 0.22 0.00 -1.82 0.00 0.00 70.33 66.86 2qba n THR 110 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2qba s GLY 111 N -1.82 1.72 0.00 3.41 0.00 -1.26 -3.39 107.32 105.97 2qba s GLY 111 Ca 0.32 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.85 2qba s GLY 111 CO -0.10 -0.32 0.02 2.41 0.00 0.00 0.00 173.10 175.11 2qba n THR 112 N -4.27 0.00 -2.90 0.90 -1.04 -1.26 -4.56 114.28 101.15 2qba n THR 112 Ca 0.16 0.45 0.00 0.00 -2.04 0.00 0.00 64.05 62.62 2qba n THR 112 Cb 0.59 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 2qba n THR 112 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2qba n SER 113 N -0.03 0.00 -0.07 8.00 2.88 -1.26 -3.36 113.62 119.79 2qba n SER 113 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 2qba n SER 113 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2qba n SER 113 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2qba n LYS 114 N 0.00 0.41 -0.29 -1.46 2.85 -1.26 -3.79 118.16 114.62 2qba n LYS 114 Ca 0.00 0.43 0.00 0.00 -1.05 0.00 0.00 58.31 57.69 2qba n LYS 114 Cb 0.00 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 32.85 2qba n LYS 114 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2qba n GLY 115 N 1.60 0.66 0.09 2.58 0.00 -1.26 -4.61 105.19 104.25 2qba n GLY 115 Ca -0.08 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 2qba n GLY 115 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qba h LYS 116 N 0.00 0.20 0.00 1.61 1.79 -1.55 -3.46 116.57 115.16 2qba h LYS 116 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2qba h LYS 116 Cb 0.16 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2qba h LYS 116 CO 0.00 0.30 0.00 0.41 -1.08 0.00 0.00 179.45 179.08 2qba n GLY 117 N -0.66 2.33 0.29 3.86 0.00 -0.27 -4.62 105.19 106.12 2qba n GLY 117 Ca -0.05 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 45.96 2qba n GLY 117 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2qba n PHE 118 N 0.00 0.24 -4.28 1.61 1.16 -1.26 -3.62 117.46 111.32 2qba n PHE 118 Ca 0.00 0.98 0.00 0.00 -1.87 0.00 0.00 57.45 56.56 2qba n PHE 118 Cb 0.00 -0.94 0.00 0.00 -1.61 0.00 0.00 39.48 36.93 2qba n PHE 118 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2qba n ALA 119 N -3.68 0.00 0.00 1.98 0.00 -1.26 -4.70 120.51 112.85 2qba n ALA 119 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2qba n ALA 119 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2qba n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qba n GLY 120 N 0.00 -1.65 1.84 0.00 0.00 -1.26 -4.76 105.19 99.36 2qba n GLY 120 Ca 0.00 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 2qba n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qba n THR 121 N 0.11 0.00 0.00 2.61 -2.24 -1.26 -2.52 114.28 110.98 2qba n THR 121 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2qba n THR 121 Cb 0.00 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2qba n THR 121 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2qba n VAL 122 N -4.13 0.00 0.00 2.28 0.31 -1.26 -4.18 118.33 111.35 2qba n VAL 122 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2qba n VAL 122 Cb 0.26 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 2qba n VAL 122 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2qba n LYS 123 N -1.56 1.45 -0.12 5.55 0.00 -1.21 -4.16 118.16 118.11 2qba n LYS 123 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.42 2qba n LYS 123 Cb 0.00 -0.76 0.17 0.00 0.00 0.00 0.00 35.03 34.44 2qba n LYS 123 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2qba n ARG 124 N -1.48 2.32 0.00 1.64 -4.01 -1.05 -4.35 116.66 109.74 2qba n ARG 124 Ca 0.00 -2.10 0.00 0.00 -1.04 0.00 0.00 57.85 54.71 2qba n ARG 124 Cb 0.26 -1.47 0.00 0.00 -3.04 0.00 0.00 32.46 28.21 2qba n ARG 124 CO 0.00 0.00 0.00 0.91 -3.04 0.00 0.00 177.63 175.50 2qba n TRP 125 N 1.35 0.00 -2.79 2.89 5.03 -1.26 -4.98 117.44 117.68 2qba n TRP 125 Ca 0.17 0.00 -0.16 0.00 3.03 0.00 0.00 57.50 60.54 2qba n TRP 125 Cb 0.57 0.06 -0.00 0.00 -1.03 0.00 0.00 31.31 30.91 2qba n TRP 125 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2qba n ASN 126 N 0.00 -3.79 -3.44 -0.99 5.03 -1.26 -4.77 115.26 106.05 2qba n ASN 126 Ca 0.00 -0.02 -0.28 0.00 0.87 0.00 0.00 54.58 55.16 2qba n ASN 126 Cb 0.43 -3.19 0.26 0.00 -1.02 0.00 0.00 39.78 36.26 2qba n ASN 126 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2qba n PHE 127 N -3.59 -3.25 -3.85 3.10 0.99 -1.26 -4.85 117.46 104.75 2qba n PHE 127 Ca -0.09 -0.58 -0.36 0.00 -0.00 0.00 0.00 57.45 56.43 2qba n PHE 127 Cb 0.58 -1.39 -0.13 0.00 -1.00 0.00 0.00 39.48 37.54 2qba n PHE 127 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2qba s ARG 128 N -4.65 3.33 0.28 -1.08 0.52 -1.26 -4.63 118.95 111.46 2qba s ARG 128 Ca 0.61 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.85 2qba s ARG 128 Cb -0.12 -3.15 -0.12 0.00 0.52 0.00 0.00 34.95 32.08 2qba s ARG 128 CO 0.52 -0.26 1.52 2.41 0.02 0.00 0.00 175.30 179.51 2qba n THR 129 N 4.83 1.09 -2.16 0.02 -1.04 -1.26 -4.91 114.28 110.84 2qba n THR 129 Ca -0.17 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.05 61.28 2qba n THR 129 Cb 0.50 -1.80 0.03 0.00 -1.82 0.00 0.00 70.33 67.24 2qba n THR 129 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2qba s GLN 130 N -0.62 3.05 -0.42 -2.82 0.74 -1.11 -4.92 119.66 113.57 2qba s GLN 130 Ca 0.64 0.29 -0.40 0.00 0.05 0.00 0.00 55.36 55.94 2qba s GLN 130 Cb -0.54 -2.17 -0.15 0.00 1.10 0.00 0.00 33.01 31.25 2qba s GLN 130 CO 0.50 -0.75 2.13 -0.40 -0.55 0.00 0.00 175.29 176.22 2qba n ASP 131 N -2.73 1.44 -0.91 6.67 5.75 -1.26 -4.68 116.55 120.83 2qba n ASP 131 Ca 0.05 0.59 0.03 0.00 -0.01 0.00 0.00 54.79 55.45 2qba n ASP 131 Cb 0.57 -1.07 0.14 0.00 -1.03 0.00 0.00 41.12 39.72 2qba n ASP 131 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qba n ALA 132 N 8.35 2.91 -3.00 2.12 0.00 -1.26 -4.67 120.51 124.96 2qba n ALA 132 Ca 0.47 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2qba n ALA 132 Cb 0.09 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2qba n ALA 132 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qba n THR 133 N 0.22 0.00 -3.39 0.00 5.66 -1.26 -4.96 114.28 110.54 2qba n THR 133 Ca 0.09 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.86 2qba n THR 133 Cb 0.52 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.30 2qba n THR 133 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2qba n HIS 134 N 0.00 -1.77 0.00 1.09 -0.00 -1.26 -4.08 115.22 109.20 2qba n HIS 134 Ca 0.00 0.47 0.00 0.00 -0.00 0.00 0.00 57.72 58.19 2qba n HIS 134 Cb 0.00 -2.86 0.00 0.00 -0.00 0.00 0.00 29.99 27.13 2qba n HIS 134 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2qba n GLY 135 N -1.15 0.48 1.57 -1.41 0.00 -1.26 -5.11 105.19 98.31 2qba n GLY 135 Ca -0.01 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2qba n GLY 135 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qba n ASN 136 N 0.00 -8.45 -3.66 1.61 5.15 -1.26 -4.95 115.26 103.70 2qba n ASN 136 Ca 0.00 1.59 -0.17 0.00 -0.60 0.00 0.00 54.58 55.40 2qba n ASN 136 Cb 0.00 -4.92 -0.16 0.00 -0.53 0.00 0.00 39.78 34.18 2qba n ASN 136 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2qba s SER 137 N -4.54 0.78 -0.98 1.20 0.01 -1.26 -4.86 113.70 104.04 2qba s SER 137 Ca 0.00 0.31 -0.04 0.00 1.31 0.00 0.00 55.95 57.53 2qba s SER 137 Cb 0.00 0.28 0.03 0.00 0.21 0.00 0.00 66.02 66.54 2qba s SER 137 CO 0.00 -0.25 0.21 0.18 0.41 0.00 0.00 173.24 173.79 2qba n LEU 138 N 5.33 -1.10 -2.31 2.44 7.99 -1.26 -4.80 117.00 123.29 2qba n LEU 138 Ca -0.05 -0.02 0.01 0.00 -0.01 0.00 0.00 56.01 55.94 2qba n LEU 138 Cb 0.50 -1.92 0.04 0.00 -0.11 0.00 0.00 43.42 41.92 2qba n LEU 138 CO 0.04 0.01 0.07 -1.20 -1.51 0.00 0.00 177.39 174.81 2qba n SER 139 N -1.96 1.06 0.23 -1.43 7.64 -1.26 -4.87 113.62 113.03 2qba n SER 139 Ca -0.06 -2.03 0.08 0.00 1.01 0.00 0.00 58.87 57.87 2qba n SER 139 Cb 0.56 -0.30 0.56 0.00 -1.01 0.00 0.00 64.21 64.02 2qba n SER 139 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2qba h HIS 140 N 1.85 0.00 -1.08 1.43 3.86 -1.85 -3.39 115.15 115.97 2qba h HIS 140 Ca -0.21 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.95 2qba h HIS 140 Cb 1.49 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.75 2qba h HIS 140 CO 0.32 0.19 -0.44 -0.98 0.86 0.00 0.00 177.93 177.88 2qba s ARG 141 N -4.42 0.70 0.19 2.45 1.70 -1.26 -2.76 118.95 115.56 2qba s ARG 141 Ca -0.03 0.01 -0.11 0.00 -0.47 0.00 0.00 55.73 55.12 2qba s ARG 141 Cb 0.15 0.09 -0.00 0.00 -0.57 0.00 0.00 34.95 34.62 2qba s ARG 141 CO 0.66 -1.14 0.36 0.14 -1.08 0.00 0.00 175.30 174.25 2qba s VAL 142 N 2.20 0.04 0.01 4.99 -7.23 -1.26 -5.03 120.40 114.12 2qba s VAL 142 Ca 0.14 -1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 58.95 2qba s VAL 142 Cb -0.07 -1.92 -0.01 0.00 0.56 0.00 0.00 36.38 34.94 2qba s VAL 142 CO -0.14 -0.18 1.05 -0.65 -0.31 0.00 0.00 175.10 174.86 2qba h PRO 143 N 2.42 -0.06 -2.45 4.82 0.11 -1.97 -3.46 132.00 131.40 2qba h PRO 143 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2qba h PRO 143 Cb 1.24 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2qba h PRO 143 CO 0.44 -0.04 -0.18 0.41 -0.21 0.00 0.00 178.00 178.42 2qba n GLY 144 N -1.04 -3.38 2.77 -0.55 0.00 -1.26 -4.94 105.19 96.78 2qba n GLY 144 Ca -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 2qba n GLY 144 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qba n SER 145 N 0.33 -2.91 -0.01 1.61 2.88 -1.26 -4.95 113.62 109.32 2qba n SER 145 Ca 0.00 1.22 0.10 0.00 -1.33 0.00 0.00 58.87 58.86 2qba n SER 145 Cb 0.00 -4.05 -0.14 0.00 -0.75 0.00 0.00 64.21 59.27 2qba n SER 145 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2qba n ILE 146 N 1.96 0.00 -0.40 2.46 -5.35 -1.26 -5.01 119.36 111.76 2qba n ILE 146 Ca -0.28 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 2qba n ILE 146 Cb 0.44 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 2qba n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qba n GLY 147 N 1.38 5.44 0.00 3.28 0.00 -1.26 -4.83 105.19 109.20 2qba n GLY 147 Ca -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2qba n GLY 147 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qba n GLN 148 N 0.00 0.00 0.00 1.61 6.02 -1.26 -5.15 117.38 118.60 2qba n GLN 148 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2qba n GLN 148 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2qba n GLN 148 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2qba n ASN 149 N -0.96 0.08 0.13 1.08 2.85 -1.26 -5.04 115.26 112.13 2qba n ASN 149 Ca 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.42 2qba n ASN 149 Cb 0.00 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.00 2qba n ASN 149 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2qba h GLN 150 N 0.00 -0.31 -0.95 1.20 4.15 -1.99 -2.72 115.11 114.49 2qba h GLN 150 Ca 0.00 0.02 0.29 0.00 0.77 0.00 0.00 58.65 59.73 2qba h GLN 150 Cb 0.00 0.07 -0.17 0.00 0.21 0.00 0.00 27.48 27.59 2qba h GLN 150 CO 0.00 -0.21 0.24 1.15 -1.93 0.00 0.00 178.83 178.08 2qba h THR 151 N -0.33 0.14 -0.82 2.39 2.02 -2.02 0.87 112.91 115.16 2qba h THR 151 Ca -0.03 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 67.19 2qba h THR 151 Cb 0.25 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.63 2qba h THR 151 CO 0.05 0.02 0.54 -0.65 0.37 0.00 0.00 175.52 175.85 2qba h PRO 152 N 0.10 0.83 0.00 6.66 0.11 -1.95 -3.47 132.00 134.28 2qba h PRO 152 Ca 0.64 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.70 2qba h PRO 152 Cb 1.42 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qba h PRO 152 CO -0.78 0.55 0.00 0.41 -0.21 0.00 0.00 178.00 177.97 2qba n GLY 153 N -1.42 1.66 0.00 -0.55 0.00 0.30 -4.89 105.19 100.29 2qba n GLY 153 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2qba n GLY 153 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qba n LYS 154 N 0.00 1.55 -4.06 1.61 0.00 -1.26 -4.86 118.16 111.13 2qba n LYS 154 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 2qba n LYS 154 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 34.88 2qba n LYS 154 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2qba s VAL 155 N 2.58 2.11 0.69 0.58 1.01 -1.26 -4.65 120.40 121.47 2qba s VAL 155 Ca 0.00 -1.55 -0.17 0.00 0.00 0.00 0.00 61.98 60.26 2qba s VAL 155 Cb 0.00 -2.21 -0.07 0.00 0.00 0.00 0.00 36.38 34.10 2qba s VAL 155 CO 0.00 0.01 0.35 0.49 0.00 0.00 0.00 175.10 175.95 2qba n PHE 156 N 4.46 -1.35 -1.33 5.22 3.72 -1.26 -4.96 117.46 121.96 2qba n PHE 156 Ca -0.14 0.35 -0.30 0.00 -0.05 0.00 0.00 57.45 57.31 2qba n PHE 156 Cb 0.43 -1.86 0.13 0.00 -0.94 0.00 0.00 39.48 37.24 2qba n PHE 156 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2qba s LYS 157 N -2.40 1.36 0.00 -1.08 1.02 -1.26 -3.46 119.74 113.92 2qba s LYS 157 Ca 0.63 0.67 0.00 0.00 0.02 0.00 0.00 55.97 57.29 2qba s LYS 157 Cb -0.37 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 2qba s LYS 157 CO 0.60 -2.13 0.00 0.41 -0.92 0.00 0.00 175.35 173.31 2qba n GLY 158 N -1.51 2.18 3.52 -3.33 0.00 -1.26 -4.89 105.19 99.89 2qba n GLY 158 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2qba n GLY 158 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qba n LYS 159 N -2.00 0.28 -1.49 1.61 0.00 -1.23 -4.73 118.16 110.61 2qba n LYS 159 Ca 0.00 -0.06 -0.56 0.00 0.00 0.00 0.00 58.31 57.68 2qba n LYS 159 Cb 0.00 -2.04 -0.09 0.00 0.00 0.00 0.00 35.03 32.91 2qba n LYS 159 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2qba n LYS 160 N 8.17 0.73 -3.16 1.64 5.02 -1.26 -4.90 118.16 124.41 2qba n LYS 160 Ca 0.58 0.23 0.02 0.00 -2.02 0.00 0.00 58.31 57.12 2qba n LYS 160 Cb 0.20 -2.03 -0.01 0.00 -0.02 0.00 0.00 35.03 33.17 2qba n LYS 160 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qba s MET 161 N 5.14 0.67 1.41 1.97 0.23 -1.26 -5.03 119.30 122.44 2qba s MET 161 Ca 1.09 -0.01 0.00 0.00 -1.03 0.00 0.00 55.69 55.74 2qba s MET 161 Cb -1.14 0.13 0.00 0.00 -1.53 0.00 0.00 34.83 32.29 2qba s MET 161 CO 0.61 -1.04 0.00 0.00 -2.03 0.00 0.00 175.02 172.56 2qba n ALA 162 N 4.66 0.00 0.00 3.16 0.00 -1.26 -4.91 120.51 122.16 2qba n ALA 162 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2qba n ALA 162 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2qba n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qba n GLY 163 N 0.00 3.09 0.76 0.00 0.00 -1.26 -4.70 105.19 103.07 2qba n GLY 163 Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 2qba n GLY 163 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2qba n GLN 164 N 1.08 0.00 -3.56 1.61 -0.06 -1.26 -4.50 117.38 110.70 2qba n GLN 164 Ca 0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.69 2qba n GLN 164 Cb 0.00 -0.34 -0.05 0.00 -4.06 0.00 0.00 30.24 25.79 2qba n GLN 164 CO 0.00 0.00 0.00 1.41 -0.20 0.00 0.00 177.06 178.27 2qba s MET 165 N 1.72 3.69 0.84 3.69 -2.45 -1.24 -4.87 119.30 120.68 2qba s MET 165 Ca 0.29 0.05 0.00 0.00 -1.25 0.00 0.00 55.69 54.78 2qba s MET 165 Cb -0.31 -2.76 0.00 0.00 1.25 0.00 0.00 34.83 33.01 2qba s MET 165 CO 0.13 0.40 0.00 0.41 1.05 0.00 0.00 175.02 177.01 2qba n GLY 166 N -0.05 -1.85 3.26 2.11 0.00 -1.26 -1.12 105.19 106.28 2qba n GLY 166 Ca -0.01 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 2qba n GLY 166 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qba n ASN 167 N -1.36 -6.80 -3.59 1.61 5.15 -1.26 -4.53 115.26 104.48 2qba n ASN 167 Ca 0.00 -0.56 -0.13 0.00 -0.60 0.00 0.00 54.58 53.29 2qba n ASN 167 Cb 0.12 -4.91 -0.06 0.00 -0.53 0.00 0.00 39.78 34.39 2qba n ASN 167 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2qba s GLU 168 N -4.17 0.75 0.00 1.20 -1.05 -1.26 -4.95 118.70 109.23 2qba s GLU 168 Ca 0.31 0.49 0.00 0.00 -0.15 0.00 0.00 54.97 55.62 2qba s GLU 168 Cb -0.05 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 2qba s GLU 168 CO 0.76 -0.17 0.00 0.54 0.95 0.00 0.00 175.26 177.34 2qba n ARG 169 N 1.61 0.00 -1.85 -4.83 1.74 -1.21 -4.06 116.66 108.05 2qba n ARG 169 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 2qba n ARG 169 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 2qba n ARG 169 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2qba n VAL 170 N 0.00 -5.18 -0.15 1.55 0.24 -1.26 -4.41 118.33 109.12 2qba n VAL 170 Ca 0.00 1.29 0.00 0.00 -2.04 0.00 0.00 64.34 63.59 2qba n VAL 170 Cb 0.00 -2.65 0.00 0.00 -1.47 0.00 0.00 33.84 29.72 2qba n VAL 170 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2qba n THR 171 N 1.76 0.00 0.00 3.34 5.66 -1.26 -4.30 114.28 119.48 2qba n THR 171 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qba n THR 171 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2qba n THR 171 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2qba n VAL 172 N 0.00 0.00 -0.75 1.08 0.31 -1.22 -4.81 118.33 112.93 2qba n VAL 172 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 2qba n VAL 172 Cb 0.00 -0.05 -0.05 0.00 -0.91 0.00 0.00 33.84 32.83 2qba n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qba n GLN 173 N -1.80 -1.74 0.00 5.55 6.02 -1.14 -4.87 117.38 119.40 2qba n GLN 173 Ca 0.00 1.42 0.00 0.00 -0.01 0.00 0.00 57.00 58.41 2qba n GLN 173 Cb 0.00 -2.04 0.00 0.00 1.02 0.00 0.00 30.24 29.22 2qba n GLN 173 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2qba n SER 174 N -3.24 0.00 -2.11 1.08 2.88 -1.07 -4.80 113.62 106.37 2qba n SER 174 Ca -0.05 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.46 2qba n SER 174 Cb 0.36 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.79 2qba n SER 174 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2qba n LEU 175 N 0.00 -4.33 -4.74 2.46 4.77 -1.26 -3.94 117.00 109.97 2qba n LEU 175 Ca 0.00 1.27 -0.41 0.00 -0.03 0.00 0.00 56.01 56.84 2qba n LEU 175 Cb 0.00 -2.27 0.01 0.00 -2.33 0.00 0.00 43.42 38.83 2qba n LEU 175 CO 0.00 -2.23 1.00 0.47 -1.33 0.00 0.00 177.39 175.29 2qba n ASP 176 N 0.92 3.09 -4.86 -1.43 8.00 -1.26 -4.55 116.55 116.46 2qba n ASP 176 Ca -0.23 1.15 -0.34 0.00 0.71 0.00 0.00 54.79 56.09 2qba n ASP 176 Cb 0.35 -1.56 -0.06 0.00 -0.02 0.00 0.00 41.12 39.84 2qba n ASP 176 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2qba s VAL 177 N -1.16 4.90 0.00 2.53 -7.23 -1.26 -0.09 120.40 118.09 2qba s VAL 177 Ca 0.58 0.64 0.00 0.00 -1.81 0.00 0.00 61.98 61.39 2qba s VAL 177 Cb -0.49 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 32.77 2qba s VAL 177 CO 0.60 0.09 0.00 0.52 -0.31 0.00 0.00 175.10 176.00 2qba n VAL 178 N 0.36 0.00 -4.28 1.32 0.31 0.30 -4.91 118.33 111.43 2qba n VAL 178 Ca -0.03 0.20 -0.17 0.00 -0.01 0.00 0.00 64.34 64.33 2qba n VAL 178 Cb 0.52 -1.14 -0.15 0.00 -0.91 0.00 0.00 33.84 32.16 2qba n VAL 178 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qba s ARG 179 N -0.56 0.61 0.00 5.55 0.52 -1.20 -4.95 118.95 118.92 2qba s ARG 179 Ca 0.00 -0.28 0.17 0.00 -0.52 0.00 0.00 55.73 55.10 2qba s ARG 179 Cb 0.00 -0.59 0.17 0.00 0.52 0.00 0.00 34.95 35.06 2qba s ARG 179 CO 0.00 0.16 1.07 0.28 0.02 0.00 0.00 175.30 176.84 2qba n VAL 180 N 2.87 0.13 -0.95 3.52 0.31 -1.26 -0.37 118.33 122.58 2qba n VAL 180 Ca -0.13 -0.57 -0.45 0.00 -0.01 0.00 0.00 64.34 63.19 2qba n VAL 180 Cb 0.57 1.24 -0.09 0.00 -0.91 0.00 0.00 33.84 34.65 2qba n VAL 180 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qba n ASP 181 N 0.95 0.55 0.00 4.52 2.03 -1.25 -4.69 116.55 118.66 2qba n ASP 181 Ca 0.11 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.91 2qba n ASP 181 Cb 0.43 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 2qba n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qba n ALA 182 N 5.75 0.00 -1.05 -1.67 0.00 -1.26 -3.36 120.51 118.92 2qba n ALA 182 Ca 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.79 2qba n ALA 182 Cb -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 2qba n ALA 182 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qba n GLU 183 N 0.00 -1.69 0.00 0.00 4.71 -1.26 -3.93 120.64 118.47 2qba n GLU 183 Ca 0.00 0.60 0.00 0.00 -0.01 0.00 0.00 57.16 57.75 2qba n GLU 183 Cb 0.00 -4.70 0.00 0.00 -1.01 0.00 0.00 31.44 25.73 2qba n GLU 183 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 2qba n ARG 184 N -0.54 0.00 -4.16 3.49 1.85 -1.26 -4.99 116.66 111.05 2qba n ARG 184 Ca -0.07 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.45 2qba n ARG 184 Cb 0.42 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.80 2qba n ARG 184 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2qba n ASN 185 N 0.00 -1.91 -4.77 2.89 3.02 -1.25 -4.88 115.26 108.35 2qba n ASN 185 Ca 0.00 -1.05 -0.32 0.00 -0.03 0.00 0.00 54.58 53.19 2qba n ASN 185 Cb 0.00 -2.69 -0.07 0.00 -0.61 0.00 0.00 39.78 36.41 2qba n ASN 185 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2qba s LEU 186 N -7.19 3.84 -0.08 3.41 2.96 -1.21 -0.96 118.68 119.45 2qba s LEU 186 Ca 0.45 0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 54.37 2qba s LEU 186 Cb -0.24 -2.35 0.03 0.00 0.50 0.00 0.00 46.19 44.12 2qba s LEU 186 CO 0.93 0.23 0.21 -0.22 -1.32 0.00 0.00 176.35 176.18 2qba s LEU 187 N -1.99 0.92 -0.09 -0.68 2.96 -0.53 -3.83 118.68 115.44 2qba s LEU 187 Ca 0.25 0.43 0.04 0.00 -0.22 0.00 0.00 54.13 54.63 2qba s LEU 187 Cb -0.12 0.67 -0.00 0.00 0.50 0.00 0.00 46.19 47.24 2qba s LEU 187 CO 0.17 -0.11 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.10 2qba s LEU 188 N 0.57 2.16 0.00 -0.68 1.43 0.50 -1.61 118.68 121.05 2qba s LEU 188 Ca -0.04 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2qba s LEU 188 Cb -0.05 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.74 2qba s LEU 188 CO -0.03 0.18 0.00 1.33 0.23 0.00 0.00 176.35 178.06 2qba n VAL 189 N 3.40 0.00 0.10 -1.59 0.24 -1.06 0.11 118.33 119.53 2qba n VAL 189 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 2qba n VAL 189 Cb 0.53 -0.62 0.17 0.00 -1.47 0.00 0.00 33.84 32.44 2qba n VAL 189 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2qba n LYS 190 N -0.40 2.55 -1.06 7.34 0.00 0.87 -4.01 118.16 123.44 2qba n LYS 190 Ca 0.00 -1.43 0.14 0.00 0.00 0.00 0.00 58.31 57.01 2qba n LYS 190 Cb 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 35.03 33.19 2qba n LYS 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qba n GLY 191 N 0.18 -2.49 2.07 3.14 0.00 -1.11 -4.37 105.19 102.61 2qba n GLY 191 Ca 0.16 -1.20 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 2qba n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qba n ALA 192 N -3.13 -1.10 -2.69 4.61 0.00 -1.26 -4.78 120.51 112.15 2qba n ALA 192 Ca -0.03 0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2qba n ALA 192 Cb 0.50 -2.12 -0.07 0.00 0.00 0.00 0.00 19.45 17.76 2qba n ALA 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2qba s VAL 193 N -3.14 3.76 0.00 0.00 -7.23 -1.26 -5.05 120.40 107.48 2qba s VAL 193 Ca 0.13 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2qba s VAL 193 Cb -0.02 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.96 2qba s VAL 193 CO 0.27 -0.25 0.00 -0.81 -0.31 0.00 0.00 175.10 173.99 2qba n PRO 194 N -0.61 2.31 -0.11 4.82 -0.04 -1.26 -4.91 135.00 135.19 2qba n PRO 194 Ca -0.08 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.39 2qba n PRO 194 Cb 0.57 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2qba n PRO 194 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qba n GLY 195 N 0.00 -0.85 2.71 0.55 0.00 -1.25 -4.81 105.19 101.55 2qba n GLY 195 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 2qba n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qba n ALA 196 N -0.18 -1.10 -3.23 4.61 0.00 -1.26 -4.66 120.51 114.68 2qba n ALA 196 Ca 0.00 -1.54 -0.25 0.00 0.00 0.00 0.00 53.44 51.65 2qba n ALA 196 Cb 0.05 -1.29 0.02 0.00 0.00 0.00 0.00 19.45 18.24 2qba n ALA 196 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2qba n THR 197 N 1.51 -7.11 0.00 0.00 -1.04 -1.26 -4.41 114.28 101.97 2qba n THR 197 Ca 0.10 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 2qba n THR 197 Cb 0.63 -5.21 0.00 0.00 -1.82 0.00 0.00 70.33 63.93 2qba n THR 197 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qba n GLY 198 N -0.31 3.78 3.50 3.41 0.00 0.21 -4.88 105.19 110.89 2qba n GLY 198 Ca -0.00 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 2qba n GLY 198 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qba n SER 199 N 0.00 -0.35 -4.65 1.61 7.64 -1.26 -4.35 113.62 112.26 2qba n SER 199 Ca 0.00 0.90 -0.43 0.00 1.01 0.00 0.00 58.87 60.35 2qba n SER 199 Cb 0.00 -1.19 -0.02 0.00 -1.01 0.00 0.00 64.21 61.99 2qba n SER 199 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2qba s ASP 200 N -0.96 7.01 0.10 6.43 1.11 -1.26 -1.79 116.67 127.30 2qba s ASP 200 Ca 0.65 1.20 0.04 0.00 0.18 0.00 0.00 52.55 54.62 2qba s ASP 200 Cb -0.55 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 40.86 2qba s ASP 200 CO 0.56 -0.78 0.07 -0.76 1.18 0.00 0.00 175.17 175.45 2qba s LEU 201 N 3.44 3.73 -0.67 1.23 1.43 -1.05 -4.01 118.68 122.77 2qba s LEU 201 Ca 0.45 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2qba s LEU 201 Cb -0.13 -2.40 0.16 0.00 0.03 0.00 0.00 46.19 43.85 2qba s LEU 201 CO 0.11 0.15 0.45 -0.63 0.23 0.00 0.00 176.35 176.66 2qba s ILE 202 N -1.46 2.89 -0.11 -0.59 1.09 -1.22 -0.67 121.20 121.13 2qba s ILE 202 Ca 0.29 -4.06 -0.30 0.00 -1.10 0.00 0.00 60.65 55.48 2qba s ILE 202 Cb -0.12 -2.92 -0.02 0.00 -1.06 0.00 0.00 42.46 38.35 2qba s ILE 202 CO 0.22 -0.96 1.16 0.54 -0.10 0.00 0.00 174.94 175.79 2qba s VAL 203 N -1.20 4.41 0.07 2.92 0.11 -0.41 -3.19 120.40 123.11 2qba s VAL 203 Ca 0.23 1.71 -0.07 0.00 -2.93 0.00 0.00 61.98 60.92 2qba s VAL 203 Cb -0.09 -4.10 -0.01 0.00 -1.53 0.00 0.00 36.38 30.65 2qba s VAL 203 CO -0.13 -0.06 0.13 -1.59 -3.33 0.00 0.00 175.10 170.13 2qba s LYS 204 N 2.62 0.76 0.20 1.54 -2.85 -1.26 -0.58 119.74 120.17 2qba s LYS 204 Ca 0.53 -0.99 -0.33 0.00 -1.00 0.00 0.00 55.97 54.18 2qba s LYS 204 Cb -0.22 0.30 -0.13 0.00 -2.06 0.00 0.00 37.83 35.72 2qba s LYS 204 CO 0.17 -0.22 1.61 -0.35 0.10 0.00 0.00 175.35 176.67 2qba n PRO 205 N 0.08 2.41 -1.68 1.78 -0.04 -1.26 0.11 135.00 136.40 2qba n PRO 205 Ca -0.15 0.87 -0.44 0.00 -0.04 0.00 0.00 63.50 63.74 2qba n PRO 205 Cb 0.62 -2.65 -0.01 0.00 -0.04 0.00 0.00 33.50 31.41 2qba n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qba n ALA 206 N 3.34 1.07 1.50 0.55 0.00 -1.21 -4.59 120.51 121.17 2qba n ALA 206 Ca 0.15 0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.99 2qba n ALA 206 Cb 0.32 -2.24 0.04 0.00 0.00 0.00 0.00 19.45 17.57 2qba n ALA 206 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2qba n VAL 207 N 0.89 0.16 -2.89 0.00 0.24 -1.26 -4.81 118.33 110.66 2qba n VAL 207 Ca 0.08 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 2qba n VAL 207 Cb 0.34 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 2qba n VAL 207 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2qba n LYS 208 N -0.18 1.94 0.00 7.34 5.02 -1.26 -5.16 118.16 125.86 2qba n LYS 208 Ca 0.03 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.41 2qba n LYS 208 Cb 0.14 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.23 2qba n LYS 208 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88