#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs9 n THR 2 N 0.00 -8.93 0.12 3.17 -1.04 -1.26 -4.97 114.28 101.36 1xs9 n THR 2 Ca 0.00 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.21 1xs9 n THR 2 Cb 0.00 -6.43 0.00 0.00 -1.82 0.00 0.00 70.33 62.08 1xs9 n THR 2 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1xs9 n MET 3 N -2.49 0.00 -3.38 -2.82 0.00 -1.26 -5.04 117.12 102.13 1xs9 n MET 3 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.43 1xs9 n MET 3 Cb 0.56 -0.16 0.06 0.00 0.00 0.00 0.00 33.22 33.69 1xs9 n MET 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1xs9 n SER 4 N -3.48 -6.29 0.06 6.12 7.64 -1.26 -4.86 113.62 111.55 1xs9 n SER 4 Ca 0.00 -0.44 0.00 0.00 1.01 0.00 0.00 58.87 59.44 1xs9 n SER 4 Cb 0.00 -4.98 0.00 0.00 -1.01 0.00 0.00 64.21 58.22 1xs9 n SER 4 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xs9 n ARG 5 N -4.63 0.00 -4.40 1.43 5.12 -1.26 -5.13 116.66 107.79 1xs9 n ARG 5 Ca -0.04 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.68 1xs9 n ARG 5 Cb 0.58 -0.10 -0.10 0.00 -1.16 0.00 0.00 32.46 31.68 1xs9 n ARG 5 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1xs9 s ARG 6 N -1.52 1.49 0.08 5.56 3.00 -1.26 -5.15 118.95 121.15 1xs9 s ARG 6 Ca 0.00 -1.69 0.05 0.00 0.00 0.00 0.00 55.73 54.09 1xs9 s ARG 6 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 34.95 33.59 1xs9 s ARG 6 CO 0.00 0.19 -0.03 1.21 0.00 0.00 0.00 175.30 176.67 1xs9 s ASN 7 N -3.41 4.86 0.35 0.23 2.47 -1.26 -5.01 114.94 113.17 1xs9 s ASN 7 Ca 0.26 -0.21 0.04 0.00 0.42 0.00 0.00 52.86 53.37 1xs9 s ASN 7 Cb -0.01 -1.12 0.64 0.00 -1.45 0.00 0.00 41.25 39.32 1xs9 s ASN 7 CO 0.10 0.19 1.93 0.71 -3.72 0.00 0.00 177.10 176.31 1xs9 h THR 8 N 3.06 1.18 0.00 -5.21 1.35 -2.01 0.06 112.91 111.34 1xs9 h THR 8 Ca -0.48 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1xs9 h THR 8 Cb 1.17 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1xs9 h THR 8 CO 0.57 0.22 0.00 0.47 -0.25 0.00 0.00 175.52 176.54 1xs9 n ASP 9 N -4.34 0.45 -0.06 5.36 9.92 -1.26 -3.45 116.55 123.16 1xs9 n ASP 9 Ca 0.03 0.56 -0.22 0.00 -0.53 0.00 0.00 54.79 54.62 1xs9 n ASP 9 Cb 0.18 -0.67 -0.12 0.00 -0.64 0.00 0.00 41.12 39.86 1xs9 n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xs9 n ALA 10 N -1.66 0.95 -0.01 2.24 0.00 -0.24 -4.21 120.51 117.57 1xs9 n ALA 10 Ca 0.05 -0.67 0.06 0.00 0.00 0.00 0.00 53.44 52.88 1xs9 n ALA 10 Cb 0.35 -0.48 0.46 0.00 0.00 0.00 0.00 19.45 19.77 1xs9 n ALA 10 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1xs9 h ILE 11 N -0.41 1.04 0.00 0.00 6.09 -1.11 0.47 117.51 123.59 1xs9 h ILE 11 Ca -0.45 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.87 1xs9 h ILE 11 Cb 1.73 0.52 0.00 0.00 0.47 0.00 0.00 36.82 39.53 1xs9 h ILE 11 CO -0.09 0.09 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 1xs9 h THR 12 N 0.49 0.00 0.00 2.19 1.03 -1.74 -2.72 112.91 112.16 1xs9 h THR 12 Ca 0.17 -0.31 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1xs9 h THR 12 Cb 0.10 1.12 0.00 0.00 -1.07 0.00 0.00 68.15 68.29 1xs9 h THR 12 CO -0.04 0.00 -1.00 -0.38 -0.01 0.00 0.00 175.52 174.09 1xs9 n ILE 13 N -2.44 0.00 0.74 0.00 2.08 -0.10 -4.56 119.36 115.08 1xs9 n ILE 13 Ca 0.02 -0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.08 1xs9 n ILE 13 Cb 0.26 0.59 0.00 0.00 -0.75 0.00 0.00 39.64 39.74 1xs9 n ILE 13 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1xs9 n HIS 14 N -1.56 0.00 -2.04 1.39 -0.00 0.15 -2.03 115.22 111.13 1xs9 n HIS 14 Ca -0.00 -0.57 -0.00 0.00 0.46 0.00 0.00 57.72 57.61 1xs9 n HIS 14 Cb 0.20 -0.29 -0.00 0.00 -0.12 0.00 0.00 29.99 29.78 1xs9 n HIS 14 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1xs9 n SER 15 N 0.67 0.03 -0.03 0.26 7.64 -1.26 -4.88 113.62 116.06 1xs9 n SER 15 Ca 0.00 -1.66 -0.04 0.00 1.01 0.00 0.00 58.87 58.18 1xs9 n SER 15 Cb 0.49 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 1xs9 n SER 15 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xs9 n ILE 16 N 0.04 0.36 0.00 0.44 2.08 -0.86 -4.33 119.36 117.09 1xs9 n ILE 16 Ca -0.01 -0.15 -0.11 0.00 0.56 0.00 0.00 62.75 63.05 1xs9 n ILE 16 Cb 0.67 -0.74 -0.05 0.00 -0.75 0.00 0.00 39.64 38.76 1xs9 n ILE 16 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1xs9 h LEU 17 N 0.00 0.02 -1.19 1.39 -0.00 -1.90 -0.62 115.31 113.01 1xs9 h LEU 17 Ca -0.14 0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.69 1xs9 h LEU 17 Cb 1.23 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 1xs9 h LEU 17 CO -0.02 0.03 -0.13 -2.24 -0.00 0.00 0.00 178.44 176.08 1xs9 h ASP 18 N 0.07 0.40 -0.22 -0.43 2.03 -1.91 -1.70 116.42 114.65 1xs9 h ASP 18 Ca 0.04 -0.10 -0.01 0.00 -0.73 0.00 0.00 57.03 56.23 1xs9 h ASP 18 Cb 0.03 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.41 1xs9 h ASP 18 CO -0.05 0.56 0.08 -0.25 -1.03 0.00 0.00 179.24 178.55 1xs9 h TRP 19 N 0.38 0.35 0.09 4.15 7.01 -1.59 -2.42 115.95 123.93 1xs9 h TRP 19 Ca 0.07 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1xs9 h TRP 19 Cb 0.46 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1xs9 h TRP 19 CO 0.01 0.39 -0.04 0.82 -2.79 0.00 0.00 178.44 176.83 1xs9 h ILE 20 N 0.20 0.98 -0.98 2.65 1.08 -0.82 -2.71 117.51 117.91 1xs9 h ILE 20 Ca 0.07 -0.26 0.12 0.00 -0.39 0.00 0.00 64.86 64.40 1xs9 h ILE 20 Cb 0.20 1.15 -0.08 0.00 -3.07 0.00 0.00 36.82 35.02 1xs9 h ILE 20 CO -0.00 0.07 0.62 -0.33 -0.69 0.00 0.00 178.15 177.81 1xs9 h GLU 21 N -0.24 0.91 -0.23 2.37 4.39 -1.28 0.13 114.58 120.63 1xs9 h GLU 21 Ca -0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1xs9 h GLU 21 Cb 0.20 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1xs9 h GLU 21 CO 0.02 0.60 0.00 -3.47 -1.16 0.00 0.00 179.01 175.00 1xs9 n ASP 22 N -4.60 1.54 -0.27 1.42 2.03 -0.92 -3.78 116.55 111.97 1xs9 n ASP 22 Ca 0.18 -1.84 0.01 0.00 0.52 0.00 0.00 54.79 53.66 1xs9 n ASP 22 Cb 0.37 -0.15 0.02 0.00 -0.72 0.00 0.00 41.12 40.63 1xs9 n ASP 22 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1xs9 n ASN 23 N 0.29 0.41 -0.36 1.67 5.15 0.28 -4.80 115.26 117.89 1xs9 n ASN 23 Ca 0.13 -1.83 0.06 0.00 -0.60 0.00 0.00 54.58 52.33 1xs9 n ASN 23 Cb 0.27 -0.16 0.02 0.00 -0.53 0.00 0.00 39.78 39.39 1xs9 n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xs9 n LEU 24 N -0.20 1.62 0.17 1.20 -0.00 -0.18 -3.84 117.00 115.77 1xs9 n LEU 24 Ca 0.02 -0.88 0.03 0.00 -0.00 0.00 0.00 56.01 55.18 1xs9 n LEU 24 Cb 0.60 0.00 0.26 0.00 -0.00 0.00 0.00 43.42 44.29 1xs9 n LEU 24 CO 0.00 0.31 0.60 -0.33 -0.00 0.00 0.00 177.39 177.97 1xs9 h GLU 25 N 1.76 0.00 0.00 1.47 4.39 -1.85 -3.42 114.58 116.93 1xs9 h GLU 25 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xs9 h GLU 25 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1xs9 h GLU 25 CO 0.00 0.48 -0.10 0.43 -1.16 0.00 0.00 179.01 178.66 1xs9 n SER 26 N -3.65 0.18 -4.72 1.42 7.64 -1.25 -4.06 113.62 109.18 1xs9 n SER 26 Ca -0.01 0.27 -0.29 0.00 1.01 0.00 0.00 58.87 59.86 1xs9 n SER 26 Cb 0.55 0.12 0.16 0.00 -1.01 0.00 0.00 64.21 64.03 1xs9 n SER 26 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1xs9 s PRO 27 N -2.00 0.77 -0.13 1.43 0.02 -1.25 -2.96 135.00 130.89 1xs9 s PRO 27 Ca 0.00 0.46 -0.27 0.00 0.02 0.00 0.00 61.00 61.21 1xs9 s PRO 27 Cb 0.00 -1.78 -0.27 0.00 0.02 0.00 0.00 34.50 32.47 1xs9 s PRO 27 CO 0.00 -2.49 0.76 -0.07 -0.33 0.00 0.00 177.00 174.88 1xs9 h LEU 28 N -1.71 0.09 -3.03 -5.54 4.07 -1.81 -3.40 115.31 103.98 1xs9 h LEU 28 Ca -0.53 -0.97 -0.34 0.00 0.08 0.00 0.00 57.88 56.13 1xs9 h LEU 28 Cb 1.33 -0.03 0.08 0.00 1.08 0.00 0.00 40.66 43.12 1xs9 h LEU 28 CO 0.59 1.11 -0.79 -1.20 -1.08 0.00 0.00 178.44 177.06 1xs9 n SER 29 N -4.50 -5.90 -1.77 -0.43 7.64 -1.26 -4.85 113.62 102.55 1xs9 n SER 29 Ca -0.12 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1xs9 n SER 29 Cb 0.56 -3.78 0.00 0.00 -1.01 0.00 0.00 64.21 59.98 1xs9 n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xs9 n LEU 30 N -3.47 0.00 -0.33 -3.43 -0.00 -1.26 -4.76 117.00 103.75 1xs9 n LEU 30 Ca -0.10 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 55.96 1xs9 n LEU 30 Cb 0.59 0.00 0.20 0.00 -0.00 0.00 0.00 43.42 44.22 1xs9 n LEU 30 CO 0.63 -0.39 1.20 -0.33 -0.00 0.00 0.00 177.39 178.50 1xs9 h GLU 31 N 0.00 0.90 -0.06 1.47 3.07 -1.95 0.19 114.58 118.20 1xs9 h GLU 31 Ca 0.00 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 1xs9 h GLU 31 Cb 0.00 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 1xs9 h GLU 31 CO 0.00 0.60 -0.27 -0.22 -1.40 0.00 0.00 179.01 177.72 1xs9 h LYS 32 N 0.93 0.10 0.10 2.33 3.11 -1.95 -0.70 116.57 120.49 1xs9 h LYS 32 Ca 0.45 -0.03 -0.27 0.00 -2.81 0.00 0.00 60.65 57.99 1xs9 h LYS 32 Cb 0.41 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 1xs9 h LYS 32 CO -0.25 0.37 -1.29 0.28 -2.81 0.00 0.00 179.45 175.74 1xs9 h VAL 33 N 0.10 1.42 0.00 2.00 2.07 -1.47 -3.15 116.25 117.22 1xs9 h VAL 33 Ca 0.01 -3.04 0.00 0.00 0.82 0.00 0.00 66.70 64.49 1xs9 h VAL 33 Cb 0.53 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1xs9 h VAL 33 CO 0.04 0.87 0.00 -1.20 0.02 0.00 0.00 177.57 177.30 1xs9 n SER 34 N -3.46 0.00 0.01 0.57 7.64 0.51 -3.43 113.62 115.47 1xs9 n SER 34 Ca -0.09 -0.64 0.03 0.00 1.01 0.00 0.00 58.87 59.18 1xs9 n SER 34 Cb 1.02 -0.11 0.41 0.00 -1.01 0.00 0.00 64.21 64.52 1xs9 n SER 34 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1xs9 h GLU 35 N 0.00 0.50 -0.00 1.43 4.81 -1.09 0.44 114.58 120.67 1xs9 h GLU 35 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1xs9 h GLU 35 Cb 0.10 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1xs9 h GLU 35 CO 0.00 0.37 -0.05 2.89 -0.73 0.00 0.00 179.01 181.49 1xs9 n ARG 36 N -4.44 0.82 -0.10 1.92 1.85 -1.22 -3.12 116.66 112.36 1xs9 n ARG 36 Ca 0.02 -0.21 0.04 0.00 -1.00 0.00 0.00 57.85 56.70 1xs9 n ARG 36 Cb 0.09 -1.50 0.09 0.00 -1.05 0.00 0.00 32.46 30.10 1xs9 n ARG 36 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1xs9 n SER 37 N -0.90 2.48 0.00 2.89 7.64 0.08 -5.00 113.62 120.81 1xs9 n SER 37 Ca 0.17 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 57.71 1xs9 n SER 37 Cb 0.24 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1xs9 n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xs9 n GLY 38 N -0.47 -0.46 2.39 0.23 0.00 -0.79 -4.94 105.19 101.14 1xs9 n GLY 38 Ca 0.08 0.58 -0.15 0.00 0.00 0.00 0.00 46.02 46.54 1xs9 n GLY 38 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xs9 n TYR 39 N 0.00 -0.55 -1.67 1.61 4.01 -1.24 -4.98 117.16 114.34 1xs9 n TYR 39 Ca 0.00 -2.08 -0.40 0.00 -0.16 0.00 0.00 57.90 55.26 1xs9 n TYR 39 Cb 0.00 0.20 0.02 0.00 -0.31 0.00 0.00 39.34 39.25 1xs9 n TYR 39 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1xs9 n SER 40 N -2.00 2.00 -0.38 7.72 7.64 -1.26 -4.23 113.62 123.10 1xs9 n SER 40 Ca 0.05 1.04 -0.08 0.00 1.01 0.00 0.00 58.87 60.89 1xs9 n SER 40 Cb 0.45 -1.45 -0.06 0.00 -1.01 0.00 0.00 64.21 62.13 1xs9 n SER 40 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1xs9 h LYS 41 N 1.68 -0.04 -0.03 1.43 2.10 -1.95 0.52 116.57 120.29 1xs9 h LYS 41 Ca -0.47 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.19 1xs9 h LYS 41 Cb 1.32 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1xs9 h LYS 41 CO 0.58 -0.02 0.02 -1.49 -2.00 0.00 0.00 179.45 176.54 1xs9 h TRP 42 N -0.04 0.00 0.11 0.07 6.55 -1.96 0.99 115.95 121.68 1xs9 h TRP 42 Ca 0.20 0.00 -0.35 0.00 0.95 0.00 0.00 58.89 59.69 1xs9 h TRP 42 Cb 0.48 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.76 1xs9 h TRP 42 CO -0.95 0.00 -1.93 1.58 -1.05 0.00 0.00 178.44 176.09 1xs9 n HIS 43 N -4.05 1.24 -0.20 0.49 -0.00 0.38 -3.72 115.22 109.36 1xs9 n HIS 43 Ca -0.02 0.28 -0.07 0.00 0.46 0.00 0.00 57.72 58.37 1xs9 n HIS 43 Cb 0.11 -1.16 0.08 0.00 -0.12 0.00 0.00 29.99 28.91 1xs9 n HIS 43 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1xs9 h LEU 44 N -0.03 0.98 -0.52 0.27 5.85 0.34 -1.82 115.31 120.38 1xs9 h LEU 44 Ca -0.42 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.10 1xs9 h LEU 44 Cb 1.97 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.70 1xs9 h LEU 44 CO 0.06 0.98 0.32 1.56 -0.34 0.00 0.00 178.44 181.02 1xs9 h GLN 45 N 0.96 0.62 -0.37 1.25 4.20 -0.98 0.33 115.11 121.13 1xs9 h GLN 45 Ca 0.19 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1xs9 h GLN 45 Cb 0.42 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1xs9 h GLN 45 CO 0.01 0.41 0.15 -0.09 -0.67 0.00 0.00 178.83 178.65 1xs9 h ARG 46 N 0.64 0.54 -0.48 1.46 2.43 -1.58 0.22 114.38 117.62 1xs9 h ARG 46 Ca 0.21 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 1xs9 h ARG 46 Cb -0.00 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1xs9 h ARG 46 CO -0.08 0.52 -0.08 0.52 -1.51 0.00 0.00 179.97 179.33 1xs9 h MET 47 N 0.45 0.90 -0.39 0.20 2.86 -0.97 -1.80 114.93 116.18 1xs9 h MET 47 Ca 0.12 -0.33 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 1xs9 h MET 47 Cb 0.17 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1xs9 h MET 47 CO -0.01 0.98 0.06 0.35 1.06 0.00 0.00 176.91 179.35 1xs9 h PHE 48 N 0.75 0.68 -0.42 -0.22 3.57 -0.22 -2.66 116.94 118.43 1xs9 h PHE 48 Ca 0.13 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1xs9 h PHE 48 Cb 0.62 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1xs9 h PHE 48 CO 0.05 0.68 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.56 1xs9 h LYS 49 N 0.49 0.69 -0.00 1.11 1.63 -0.87 0.36 116.57 119.98 1xs9 h LYS 49 Ca 0.12 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1xs9 h LYS 49 Cb 0.36 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1xs9 h LYS 49 CO 0.01 0.73 -0.00 0.36 -3.45 0.00 0.00 179.45 177.09 1xs9 n LYS 50 N -4.22 1.21 -0.01 1.90 2.85 -0.68 -2.20 118.16 117.01 1xs9 n LYS 50 Ca 0.02 -0.31 -0.04 0.00 -1.05 0.00 0.00 58.31 56.93 1xs9 n LYS 50 Cb 0.29 -1.49 -0.01 0.00 -0.65 0.00 0.00 35.03 33.17 1xs9 n LYS 50 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1xs9 n GLU 51 N -0.62 0.19 0.06 -1.58 0.00 -0.87 -4.80 120.64 113.03 1xs9 n GLU 51 Ca 0.22 0.08 -0.21 0.00 0.00 0.00 0.00 57.16 57.25 1xs9 n GLU 51 Cb 0.19 -0.84 -0.11 0.00 0.00 0.00 0.00 31.44 30.68 1xs9 n GLU 51 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1xs9 h THR 52 N -0.36 1.29 0.00 6.31 1.35 -1.11 -3.48 112.91 116.90 1xs9 h THR 52 Ca -0.03 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 1xs9 h THR 52 Cb 0.45 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1xs9 h THR 52 CO -0.02 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 1xs9 n GLY 53 N 1.20 2.74 3.71 5.82 0.00 -0.94 -4.09 105.19 113.65 1xs9 n GLY 53 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1xs9 n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xs9 s HIS 54 N -2.45 2.71 0.43 1.61 3.76 -1.26 -4.95 115.29 115.13 1xs9 s HIS 54 Ca 0.00 -0.35 -0.21 0.00 -0.15 0.00 0.00 55.06 54.35 1xs9 s HIS 54 Cb 0.00 -1.54 -0.11 0.00 1.11 0.00 0.00 32.58 32.04 1xs9 s HIS 54 CO 0.00 0.41 0.95 -1.12 -0.85 0.00 0.00 174.74 174.13 1xs9 s SER 55 N -3.80 6.93 0.02 1.40 0.01 -1.26 -3.78 113.70 113.21 1xs9 s SER 55 Ca 0.36 1.70 -0.16 0.00 1.31 0.00 0.00 55.95 59.16 1xs9 s SER 55 Cb -0.03 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.57 1xs9 s SER 55 CO 0.22 -0.37 1.12 0.25 0.41 0.00 0.00 173.24 174.87 1xs9 h LEU 56 N 1.93 -0.50 -1.87 2.44 6.46 -1.93 -0.05 115.31 121.79 1xs9 h LEU 56 Ca -0.49 0.02 0.17 0.00 -0.12 0.00 0.00 57.88 57.46 1xs9 h LEU 56 Cb 1.18 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.21 1xs9 h LEU 56 CO 0.61 -0.33 0.47 1.23 -0.62 0.00 0.00 178.44 179.80 1xs9 h GLY 57 N -0.65 0.22 0.82 3.75 0.00 -1.97 0.12 103.07 105.36 1xs9 h GLY 57 Ca -0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1xs9 h GLY 57 CO 0.10 0.01 -0.16 -1.61 0.00 0.00 0.00 176.54 174.88 1xs9 h GLN 58 N 0.13 0.47 -0.50 4.80 4.15 -1.94 -3.03 115.11 119.18 1xs9 h GLN 58 Ca 0.32 -0.23 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1xs9 h GLN 58 Cb 1.10 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 1xs9 h GLN 58 CO -0.04 0.80 0.30 -0.92 -1.93 0.00 0.00 178.83 177.03 1xs9 h TYR 59 N 0.16 0.66 -0.12 3.99 3.20 0.88 -1.16 116.97 124.58 1xs9 h TYR 59 Ca 0.04 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.95 1xs9 h TYR 59 Cb 0.69 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 1xs9 h TYR 59 CO 0.07 0.46 -0.20 0.82 -1.64 0.00 0.00 178.16 177.67 1xs9 h ILE 60 N 0.67 0.49 -0.47 1.81 1.08 -1.20 0.53 117.51 120.42 1xs9 h ILE 60 Ca 0.18 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.62 1xs9 h ILE 60 Cb -0.01 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 1xs9 h ILE 60 CO -0.03 0.00 0.19 0.03 -0.69 0.00 0.00 178.15 177.64 1xs9 h ARG 61 N -0.26 0.70 -0.37 2.37 3.08 -1.40 -1.39 114.38 117.10 1xs9 h ARG 61 Ca 0.10 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1xs9 h ARG 61 Cb 0.41 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1xs9 h ARG 61 CO -0.28 0.64 0.20 0.77 -1.07 0.00 0.00 179.97 180.23 1xs9 h SER 62 N 0.62 0.30 -0.35 7.04 0.02 -0.71 0.35 113.55 120.81 1xs9 h SER 62 Ca 0.16 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.99 1xs9 h SER 62 Cb 0.20 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1xs9 h SER 62 CO -0.01 0.22 -0.27 0.03 -1.14 0.00 0.00 176.83 175.66 1xs9 h ARG 63 N 0.41 0.80 -0.71 3.45 2.47 -0.81 -2.83 114.38 117.15 1xs9 h ARG 63 Ca 0.15 -0.39 -0.04 0.00 -1.26 0.00 0.00 59.98 58.44 1xs9 h ARG 63 Cb 0.05 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.33 1xs9 h ARG 63 CO -0.10 1.02 0.27 0.87 0.56 0.00 0.00 179.97 182.59 1xs9 h LYS 64 N 0.58 1.06 0.36 0.04 1.57 -1.01 -1.20 116.57 117.97 1xs9 h LYS 64 Ca 0.06 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1xs9 h LYS 64 Cb 0.84 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1xs9 h LYS 64 CO 0.07 0.87 -0.21 0.52 -0.57 0.00 0.00 179.45 180.13 1xs9 h MET 65 N 1.03 -0.52 -0.30 3.15 2.86 -0.83 -0.58 114.93 119.73 1xs9 h MET 65 Ca 0.24 0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.85 1xs9 h MET 65 Cb 0.22 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1xs9 h MET 65 CO -0.02 -0.35 -0.09 0.00 1.06 0.00 0.00 176.91 177.52 1xs9 h THR 66 N -0.54 1.22 -0.52 2.22 1.03 -1.40 -0.67 112.91 114.25 1xs9 h THR 66 Ca -0.04 -0.94 -0.03 0.00 -0.01 0.00 0.00 66.41 65.38 1xs9 h THR 66 Cb 0.44 1.09 -0.02 0.00 -1.07 0.00 0.00 68.15 68.58 1xs9 h THR 66 CO 0.05 0.31 0.20 -0.33 -0.01 0.00 0.00 175.52 175.74 1xs9 h GLU 67 N 0.47 0.78 -0.43 0.00 4.39 -0.91 -1.38 114.58 117.50 1xs9 h GLU 67 Ca 0.09 -0.15 -0.14 0.00 0.34 0.00 0.00 59.36 59.50 1xs9 h GLU 67 Cb 0.44 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1xs9 h GLU 67 CO 0.02 0.70 -0.28 0.82 -1.16 0.00 0.00 179.01 179.11 1xs9 h ILE 68 N 0.70 1.27 -0.83 3.13 2.04 -0.81 -2.72 117.51 120.29 1xs9 h ILE 68 Ca 0.17 -1.44 0.05 0.00 1.00 0.00 0.00 64.86 64.64 1xs9 h ILE 68 Cb 0.22 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 1xs9 h ILE 68 CO -0.01 0.49 0.52 0.00 0.00 0.00 0.00 178.15 179.15 1xs9 h ALA 69 N 0.89 1.12 -0.65 1.87 0.00 -0.80 -0.56 119.26 121.14 1xs9 h ALA 69 Ca 0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1xs9 h ALA 69 Cb 0.85 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1xs9 h ALA 69 CO 0.08 0.31 0.14 1.96 0.00 0.00 0.00 179.25 181.73 1xs9 h GLN 70 N 0.99 1.05 0.00 0.00 4.20 -1.15 -1.78 115.11 118.43 1xs9 h GLN 70 Ca 0.35 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1xs9 h GLN 70 Cb 0.09 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1xs9 h GLN 70 CO -0.14 0.95 0.00 1.63 -0.67 0.00 0.00 178.83 180.60 1xs9 n LYS 71 N -4.28 0.07 0.02 1.46 5.02 -0.73 0.23 118.16 119.95 1xs9 n LYS 71 Ca 0.04 0.14 0.03 0.00 -2.02 0.00 0.00 58.31 56.50 1xs9 n LYS 71 Cb 0.26 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.68 1xs9 n LYS 71 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xs9 n LEU 72 N -1.45 0.61 -0.12 -0.35 4.77 -0.30 -3.33 117.00 116.84 1xs9 n LEU 72 Ca 0.06 0.26 -0.21 0.00 -0.03 0.00 0.00 56.01 56.09 1xs9 n LEU 72 Cb 0.22 0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 1xs9 n LEU 72 CO 0.18 0.10 -1.11 0.29 -1.33 0.00 0.00 177.39 175.51 1xs9 n LYS 73 N -2.72 0.56 -0.03 3.23 5.02 -0.82 -4.30 118.16 119.10 1xs9 n LYS 73 Ca -0.10 0.25 -0.13 0.00 -2.02 0.00 0.00 58.31 56.31 1xs9 n LYS 73 Cb 0.78 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 34.20 1xs9 n LYS 73 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1xs9 h GLU 74 N -1.00 -0.00 -6.87 1.97 3.07 -0.46 -3.46 114.58 107.83 1xs9 h GLU 74 Ca -0.41 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.00 1xs9 h GLU 74 Cb 1.35 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 29.31 1xs9 h GLU 74 CO -0.25 0.63 -0.02 -1.12 -1.40 0.00 0.00 179.01 176.85 1xs9 s SER 75 N -5.83 5.11 -0.14 1.42 0.01 -1.21 -5.02 113.70 108.04 1xs9 s SER 75 Ca -0.17 -0.12 0.16 0.00 1.31 0.00 0.00 55.95 57.14 1xs9 s SER 75 Cb 0.00 -0.67 0.30 0.00 0.21 0.00 0.00 66.02 65.87 1xs9 s SER 75 CO 0.68 -1.27 1.15 -3.20 0.41 0.00 0.00 173.24 171.01 1xs9 n ASN 76 N -2.42 2.06 -4.71 2.44 5.15 -1.25 -4.22 115.26 112.32 1xs9 n ASN 76 Ca 0.10 -3.16 -0.42 0.00 -0.60 0.00 0.00 54.58 50.49 1xs9 n ASN 76 Cb 0.60 -0.43 -0.03 0.00 -0.53 0.00 0.00 39.78 39.39 1xs9 n ASN 76 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1xs9 s GLU 77 N -2.73 4.13 0.37 1.20 2.02 -1.26 -4.91 118.70 117.54 1xs9 s GLU 77 Ca 0.31 2.60 -0.25 0.00 0.02 0.00 0.00 54.97 57.65 1xs9 s GLU 77 Cb 0.28 -3.26 -0.12 0.00 0.10 0.00 0.00 34.13 31.13 1xs9 s GLU 77 CO 0.01 -0.78 0.90 -0.35 0.02 0.00 0.00 175.26 175.05 1xs9 n PRO 78 N 4.59 1.14 -0.23 0.39 -0.04 -1.26 -4.75 135.00 134.84 1xs9 n PRO 78 Ca 0.16 0.41 -0.05 0.00 -0.04 0.00 0.00 63.50 63.98 1xs9 n PRO 78 Cb 0.36 -1.83 0.05 0.00 -0.04 0.00 0.00 33.50 32.04 1xs9 n PRO 78 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1xs9 h ILE 79 N 1.50 1.16 -0.84 0.52 2.04 -1.99 0.69 117.51 120.59 1xs9 h ILE 79 Ca -0.41 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1xs9 h ILE 79 Cb 1.35 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1xs9 h ILE 79 CO 0.57 0.16 0.47 0.25 0.00 0.00 0.00 178.15 179.60 1xs9 h LEU 80 N 0.87 1.04 0.02 1.44 6.46 -1.94 0.26 115.31 123.45 1xs9 h LEU 80 Ca 0.24 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1xs9 h LEU 80 Cb -0.09 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.58 1xs9 h LEU 80 CO -0.06 0.82 -0.01 0.22 -0.62 0.00 0.00 178.44 178.80 1xs9 h TYR 81 N 1.17 -0.02 -0.94 1.25 3.20 -1.74 -1.86 116.97 118.03 1xs9 h TYR 81 Ca 0.30 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.25 1xs9 h TYR 81 Cb 0.01 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.22 1xs9 h TYR 81 CO 0.01 0.34 0.59 -0.07 -1.64 0.00 0.00 178.16 177.38 1xs9 h LEU 82 N -0.39 0.92 0.84 2.82 3.38 -0.58 0.35 115.31 122.65 1xs9 h LEU 82 Ca -0.00 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1xs9 h LEU 82 Cb 0.37 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xs9 h LEU 82 CO 0.00 0.56 -0.40 0.00 0.09 0.00 0.00 178.44 178.69 1xs9 h ALA 83 N 1.46 -1.13 -0.70 1.53 0.00 -0.85 0.49 119.26 120.06 1xs9 h ALA 83 Ca 0.43 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xs9 h ALA 83 Cb 0.26 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1xs9 h ALA 83 CO -0.20 -1.09 0.46 1.49 0.00 0.00 0.00 179.25 179.91 1xs9 h GLU 84 N -1.21 0.91 -0.40 0.00 4.81 -1.06 0.37 114.58 118.00 1xs9 h GLU 84 Ca -0.12 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1xs9 h GLU 84 Cb 0.87 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1xs9 h GLU 84 CO 0.19 0.60 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.98 1xs9 h ARG 85 N 0.93 0.71 0.00 1.92 1.12 -0.19 -2.92 114.38 115.96 1xs9 h ARG 85 Ca 0.26 -0.23 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1xs9 h ARG 85 Cb -0.09 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 29.81 1xs9 h ARG 85 CO -0.06 0.80 0.00 0.66 -3.11 0.00 0.00 179.97 178.26 1xs9 n TYR 86 N -4.44 0.00 0.00 2.20 4.02 0.15 -3.92 117.16 115.17 1xs9 n TYR 86 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1xs9 n TYR 86 Cb 0.29 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 1xs9 n TYR 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xs9 n GLY 87 N 1.15 1.06 3.75 2.72 0.00 -0.83 -4.60 105.19 108.44 1xs9 n GLY 87 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1xs9 n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xs9 s PHE 88 N -2.00 3.90 0.36 1.61 0.40 0.12 -4.95 117.98 117.42 1xs9 s PHE 88 Ca 0.00 1.77 0.07 0.00 -0.60 0.00 0.00 56.93 58.17 1xs9 s PHE 88 Cb 0.00 -2.93 0.67 0.00 0.51 0.00 0.00 43.02 41.27 1xs9 s PHE 88 CO 0.00 0.40 1.88 0.93 0.70 0.00 0.00 175.22 179.12 1xs9 h GLU 89 N 4.68 0.37 -3.30 0.44 4.39 -1.94 -3.31 114.58 115.91 1xs9 h GLU 89 Ca -0.45 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.12 1xs9 h GLU 89 Cb 1.20 -0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.69 1xs9 h GLU 89 CO 0.69 0.48 0.01 -1.54 -1.16 0.00 0.00 179.01 177.48 1xs9 s SER 90 N -6.82 -0.30 0.27 1.42 1.04 -1.26 -4.95 113.70 103.10 1xs9 s SER 90 Ca -0.06 -0.32 -0.03 0.00 0.48 0.00 0.00 55.95 56.02 1xs9 s SER 90 Cb 0.15 0.53 0.35 0.00 0.10 0.00 0.00 66.02 67.15 1xs9 s SER 90 CO 0.75 -0.94 1.88 -0.61 0.98 0.00 0.00 173.24 175.30 1xs9 h GLN 91 N 2.25 1.05 -1.00 4.02 4.15 -1.88 -2.03 115.11 121.67 1xs9 h GLN 91 Ca -0.32 -0.14 0.09 0.00 0.77 0.00 0.00 58.65 59.05 1xs9 h GLN 91 Cb 1.27 -0.20 -0.08 0.00 0.21 0.00 0.00 27.48 28.68 1xs9 h GLN 91 CO 0.42 0.80 0.64 1.96 -1.93 0.00 0.00 178.83 180.72 1xs9 h GLN 92 N 1.04 1.04 -0.07 1.69 7.50 -1.97 0.75 115.11 125.09 1xs9 h GLN 92 Ca 0.26 -0.06 -0.00 0.00 0.50 0.00 0.00 58.65 59.34 1xs9 h GLN 92 Cb 0.09 -0.23 -0.00 0.00 0.05 0.00 0.00 27.48 27.38 1xs9 h GLN 92 CO -0.04 0.69 0.03 1.15 -1.50 0.00 0.00 178.83 179.16 1xs9 h THR 93 N 1.07 1.12 -0.89 -0.54 2.02 -1.78 -1.39 112.91 112.51 1xs9 h THR 93 Ca 0.46 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 67.29 1xs9 h THR 93 Cb 0.35 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1xs9 h THR 93 CO -0.22 0.10 0.58 0.25 0.37 0.00 0.00 175.52 176.61 1xs9 h LEU 94 N -0.03 1.03 -1.21 2.58 5.85 -1.07 -0.99 115.31 121.49 1xs9 h LEU 94 Ca 0.02 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1xs9 h LEU 94 Cb 0.14 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1xs9 h LEU 94 CO -0.00 0.76 0.49 0.74 -0.34 0.00 0.00 178.44 180.08 1xs9 h THR 95 N 1.21 1.20 -0.05 1.05 2.02 -0.63 0.13 112.91 117.85 1xs9 h THR 95 Ca 0.33 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1xs9 h THR 95 Cb -0.13 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.38 1xs9 h THR 95 CO -0.07 0.20 -0.02 -0.09 0.37 0.00 0.00 175.52 175.92 1xs9 h ARG 96 N 1.04 0.09 -0.34 6.66 2.43 -0.30 -1.33 114.38 122.64 1xs9 h ARG 96 Ca 0.28 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1xs9 h ARG 96 Cb -0.09 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1xs9 h ARG 96 CO -0.06 0.47 0.20 1.15 -1.51 0.00 0.00 179.97 180.22 1xs9 h THR 97 N -0.29 1.13 -0.51 0.20 2.02 -0.87 -0.63 112.91 113.95 1xs9 h THR 97 Ca 0.01 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 1xs9 h THR 97 Cb 0.44 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1xs9 h THR 97 CO 0.01 0.13 0.25 0.15 0.37 0.00 0.00 175.52 176.43 1xs9 h PHE 98 N 0.43 0.73 -0.13 3.16 3.57 -0.78 -2.08 116.94 121.85 1xs9 h PHE 98 Ca 0.12 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 1xs9 h PHE 98 Cb 0.04 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1xs9 h PHE 98 CO -0.03 0.57 -0.32 -0.22 -2.23 0.00 0.00 178.31 176.07 1xs9 h LYS 99 N 0.68 0.25 -0.28 1.11 1.63 -1.04 0.21 116.57 119.14 1xs9 h LYS 99 Ca 0.18 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1xs9 h LYS 99 Cb 0.11 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1xs9 h LYS 99 CO -0.02 0.55 0.00 0.09 -3.45 0.00 0.00 179.45 176.62 1xs9 n ASN 100 N -4.10 1.66 0.06 4.20 4.13 -0.26 -2.05 115.26 118.89 1xs9 n ASN 100 Ca -0.01 -1.92 0.00 0.00 1.68 0.00 0.00 54.58 54.32 1xs9 n ASN 100 Cb 0.42 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.47 1xs9 n ASN 100 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xs9 n TYR 101 N 0.38 -0.44 0.67 3.10 4.19 -0.82 -4.82 117.16 119.42 1xs9 n TYR 101 Ca 0.12 0.08 0.12 0.00 3.31 0.00 0.00 57.90 61.52 1xs9 n TYR 101 Cb 0.28 0.11 0.10 0.00 0.49 0.00 0.00 39.34 40.32 1xs9 n TYR 101 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 1xs9 n PHE 102 N -3.43 0.28 -0.75 2.98 3.72 0.69 -4.94 117.46 116.01 1xs9 n PHE 102 Ca 0.00 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1xs9 n PHE 102 Cb 0.05 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.15 1xs9 n PHE 102 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1xs9 n ASP 103 N -1.90 0.00 -4.28 4.37 8.00 -0.87 -4.97 116.55 116.90 1xs9 n ASP 103 Ca 0.03 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.21 1xs9 n ASP 103 Cb 0.41 -0.99 -0.16 0.00 -0.02 0.00 0.00 41.12 40.36 1xs9 n ASP 103 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xs9 s VAL 104 N -2.75 2.36 0.33 2.53 1.01 -1.26 -4.92 120.40 117.70 1xs9 s VAL 104 Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 1xs9 s VAL 104 Cb 0.00 -1.92 -0.12 0.00 0.00 0.00 0.00 36.38 34.34 1xs9 s VAL 104 CO 0.00 0.56 1.35 -2.65 0.00 0.00 0.00 175.10 174.36 1xs9 n PRO 105 N 3.31 2.23 -0.29 2.72 -0.02 -1.26 -4.25 135.00 137.45 1xs9 n PRO 105 Ca -0.18 0.78 0.10 0.00 -2.02 0.00 0.00 63.50 62.18 1xs9 n PRO 105 Cb 0.53 -2.41 0.26 0.00 -0.02 0.00 0.00 33.50 31.85 1xs9 n PRO 105 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1xs9 h PRO 106 N 2.99 0.34 -0.30 0.52 0.11 -1.92 0.24 132.00 133.97 1xs9 h PRO 106 Ca -0.47 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1xs9 h PRO 106 Cb 1.27 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1xs9 h PRO 106 CO 0.66 0.23 -0.34 1.25 -0.21 0.00 0.00 178.00 179.59 1xs9 h HIS 107 N 0.35 0.77 -0.12 0.65 2.76 -1.99 -2.76 115.15 114.82 1xs9 h HIS 107 Ca 0.51 -0.20 -0.20 0.00 -2.20 0.00 0.00 60.37 58.27 1xs9 h HIS 107 Cb 0.92 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.71 1xs9 h HIS 107 CO -0.19 0.91 -0.75 -0.22 -1.30 0.00 0.00 177.93 176.38 1xs9 h LYS 108 N 0.55 0.58 -0.12 5.26 3.64 -1.43 -2.98 116.57 122.09 1xs9 h LYS 108 Ca 0.06 -0.47 0.01 0.00 -1.27 0.00 0.00 60.65 58.97 1xs9 h LYS 108 Cb 0.84 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1xs9 h LYS 108 CO 0.07 1.10 0.08 -0.92 -2.27 0.00 0.00 179.45 177.51 1xs9 h TYR 109 N 0.40 0.12 -0.03 1.91 3.20 -0.50 0.30 116.97 122.37 1xs9 h TYR 109 Ca -0.04 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.73 1xs9 h TYR 109 Cb 1.35 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.56 1xs9 h TYR 109 CO 0.06 0.08 -0.47 -0.09 -1.64 0.00 0.00 178.16 176.10 1xs9 h ARG 110 N 0.13 0.08 0.00 1.82 9.65 -1.33 -3.14 114.38 121.59 1xs9 h ARG 110 Ca 0.05 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1xs9 h ARG 110 Cb 0.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1xs9 h ARG 110 CO -0.01 0.54 -1.33 -1.33 2.80 0.00 0.00 179.97 180.64 1xs9 n MET 111 N -3.98 0.29 -2.44 0.20 2.81 -0.15 -4.75 117.12 109.10 1xs9 n MET 111 Ca -0.02 -0.07 -0.43 0.00 -1.81 0.00 0.00 57.70 55.38 1xs9 n MET 111 Cb 0.50 -1.53 -0.02 0.00 -0.71 0.00 0.00 33.22 31.46 1xs9 n MET 111 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1xs9 s THR 112 N -3.22 3.98 -0.21 2.03 -4.23 0.89 -4.85 115.64 110.03 1xs9 s THR 112 Ca 0.02 0.98 0.17 0.00 -1.18 0.00 0.00 61.69 61.68 1xs9 s THR 112 Cb 0.15 -4.37 0.07 0.00 1.34 0.00 0.00 72.50 69.69 1xs9 s THR 112 CO 0.87 -0.90 1.32 0.78 -0.54 0.00 0.00 174.62 176.15 1xs9 h ASN 113 N 10.29 0.00 1.36 3.99 2.35 -1.89 -3.24 115.58 128.44 1xs9 h ASN 113 Ca -0.26 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 1xs9 h ASN 113 Cb 1.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 1xs9 h ASN 113 CO 1.11 0.38 -0.28 -0.03 -1.65 0.00 0.00 177.43 176.97 1xs9 h MET 114 N 0.00 0.00 -6.61 0.81 4.05 -1.97 -3.44 114.93 107.77 1xs9 h MET 114 Ca -0.03 0.00 -0.52 0.00 -0.28 0.00 0.00 59.70 58.87 1xs9 h MET 114 Cb 1.32 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 1xs9 h MET 114 CO 0.04 0.28 0.49 -0.65 0.23 0.00 0.00 176.91 177.30 1xs9 s GLN 115 N -3.30 4.56 0.00 0.39 1.11 -1.22 -5.00 119.66 116.19 1xs9 s GLN 115 Ca 0.03 1.71 0.00 0.00 0.01 0.00 0.00 55.36 57.11 1xs9 s GLN 115 Cb 0.08 -3.30 0.00 0.00 -1.01 0.00 0.00 33.01 28.78 1xs9 s GLN 115 CO 0.68 -0.00 0.00 0.41 0.01 0.00 0.00 175.29 176.39 1xs9 n GLY 116 N 2.33 4.93 3.25 3.09 0.00 -1.26 -5.01 105.19 112.52 1xs9 n GLY 116 Ca 0.04 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1xs9 n GLY 116 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xs9 n GLU 117 N 0.00 3.26 -4.73 1.61 2.13 -1.26 -4.93 120.64 116.73 1xs9 n GLU 117 Ca 0.00 -3.37 -0.32 0.00 0.66 0.00 0.00 57.16 54.13 1xs9 n GLU 117 Cb 0.00 -3.22 -0.16 0.00 0.27 0.00 0.00 31.44 28.33 1xs9 n GLU 117 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1xs9 s SER 118 N 2.99 3.14 -1.11 4.31 0.01 -1.26 -4.61 113.70 117.19 1xs9 s SER 118 Ca 0.47 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1xs9 s SER 118 Cb 0.05 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1xs9 s SER 118 CO 0.01 0.09 0.00 0.54 0.41 0.00 0.00 173.24 174.29 1xs9 n ARG 119 N 4.00 -0.95 -3.04 12.44 1.74 -1.26 -4.97 116.66 124.63 1xs9 n ARG 119 Ca -0.20 0.67 -0.44 0.00 -0.77 0.00 0.00 57.85 57.11 1xs9 n ARG 119 Cb 0.52 -4.82 -0.04 0.00 -1.02 0.00 0.00 32.46 27.10 1xs9 n ARG 119 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1xs9 s PHE 120 N -2.58 2.92 0.10 -1.55 0.40 -1.26 -4.80 117.98 111.21 1xs9 s PHE 120 Ca 0.00 -0.88 -0.30 0.00 -0.60 0.00 0.00 56.93 55.14 1xs9 s PHE 120 Cb 0.00 -4.10 -0.06 0.00 0.51 0.00 0.00 43.02 39.37 1xs9 s PHE 120 CO 0.00 -1.40 1.09 -1.17 0.70 0.00 0.00 175.22 174.44 1xs9 s LEU 121 N 3.02 4.43 0.41 -0.37 2.96 -1.26 -5.04 118.68 122.83 1xs9 s LEU 121 Ca 0.15 1.96 0.02 0.00 -0.22 0.00 0.00 54.13 56.04 1xs9 s LEU 121 Cb -0.21 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.88 1xs9 s LEU 121 CO 0.06 -0.28 0.60 -1.00 -1.32 0.00 0.00 176.35 174.41 1xs9 s HIS 122 N 0.40 3.21 0.00 5.38 3.76 -1.19 -4.69 115.29 122.17 1xs9 s HIS 122 Ca 0.52 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 1xs9 s HIS 122 Cb -0.27 -2.18 0.00 0.00 1.11 0.00 0.00 32.58 31.24 1xs9 s HIS 122 CO 0.31 -0.21 0.97 -2.30 -0.85 0.00 0.00 174.74 172.66 1xs9 n PRO 123 N -1.92 0.61 -0.06 8.40 -0.02 -1.26 -3.44 135.00 137.30 1xs9 n PRO 123 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1xs9 n PRO 123 Cb 0.58 -1.19 -0.04 0.00 -0.02 0.00 0.00 33.50 32.82 1xs9 n PRO 123 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1xs9 n LEU 124 N 1.29 1.36 -3.77 2.45 7.94 -1.21 -4.91 117.00 120.14 1xs9 n LEU 124 Ca 0.00 0.23 -0.32 0.00 -1.11 0.00 0.00 56.01 54.80 1xs9 n LEU 124 Cb 0.31 -0.53 0.03 0.00 0.53 0.00 0.00 43.42 43.75 1xs9 n LEU 124 CO 0.00 0.01 -0.11 -3.20 -1.11 0.00 0.00 177.39 172.98 1xs9 n ASN 125 N -3.89 -4.28 0.00 1.96 5.15 -0.25 -4.83 115.26 109.11 1xs9 n ASN 125 Ca -0.23 -1.05 0.00 0.00 -0.60 0.00 0.00 54.58 52.70 1xs9 n ASN 125 Cb 0.56 -3.13 0.00 0.00 -0.53 0.00 0.00 39.78 36.68 1xs9 n ASN 125 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1xs9 n HIS 126 N -4.33 0.00 -3.51 1.20 8.25 -1.26 -4.50 115.22 111.07 1xs9 n HIS 126 Ca -0.13 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.06 1xs9 n HIS 126 Cb 0.60 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.62 1xs9 n HIS 126 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1xs9 n TYR 127 N -0.72 2.30 0.00 4.41 4.01 -1.26 -4.85 117.16 121.04 1xs9 n TYR 127 Ca 0.00 -4.00 0.00 0.00 -0.16 0.00 0.00 57.90 53.74 1xs9 n TYR 127 Cb 0.00 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 1xs9 n TYR 127 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1xs9 n ASN 128 N 1.49 0.00 0.00 7.72 5.15 -1.26 -5.14 115.26 123.22 1xs9 n ASN 128 Ca 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 1xs9 n ASN 128 Cb 0.42 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.61 1xs9 n ASN 128 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46