#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9z n GLU 2 N 0.00 -2.65 -2.93 2.12 4.07 -1.26 -4.44 120.64 115.55 2k9z n GLU 2 Ca 0.00 1.78 -0.42 0.00 -0.06 0.00 0.00 57.16 58.46 2k9z n GLU 2 Cb 0.00 -3.23 -0.05 0.00 -0.06 0.00 0.00 31.44 28.10 2k9z n GLU 2 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2k9z s VAL 3 N -2.25 4.79 0.07 6.31 1.01 -1.26 -2.86 120.40 126.22 2k9z s VAL 3 Ca 0.00 1.27 -0.20 0.00 0.00 0.00 0.00 61.98 63.05 2k9z s VAL 3 Cb 0.00 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 2k9z s VAL 3 CO 0.00 -0.22 0.59 -0.75 0.00 0.00 0.00 175.10 174.72 2k9z s LYS 4 N 2.95 4.24 -0.03 2.72 2.20 -0.47 -4.97 119.74 126.38 2k9z s LYS 4 Ca 0.33 0.77 0.02 0.00 -0.36 0.00 0.00 55.97 56.73 2k9z s LYS 4 Cb -0.14 -3.25 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 2k9z s LYS 4 CO 0.12 0.62 -0.08 0.42 -0.36 0.00 0.00 175.35 176.06 2k9z s ILE 5 N -1.05 0.73 0.33 5.43 1.01 -1.26 -1.61 121.20 124.78 2k9z s ILE 5 Ca 0.30 -0.31 -0.18 0.00 0.00 0.00 0.00 60.65 60.46 2k9z s ILE 5 Cb -0.20 -0.66 0.05 0.00 0.01 0.00 0.00 42.46 41.66 2k9z s ILE 5 CO 0.19 0.24 0.82 -1.83 0.00 0.00 0.00 174.94 174.37 2k9z s GLU 6 N 0.34 1.98 -0.80 2.79 -1.05 -1.13 -5.04 118.70 115.79 2k9z s GLU 6 Ca -0.05 -1.24 -0.05 0.00 -0.15 0.00 0.00 54.97 53.48 2k9z s GLU 6 Cb -0.10 0.58 0.20 0.00 -0.44 0.00 0.00 34.13 34.37 2k9z s GLU 6 CO 0.01 -0.92 0.68 0.15 0.95 0.00 0.00 175.26 176.12 2k9z s LYS 7 N -2.59 3.15 1.16 -4.83 3.01 -1.26 -2.06 119.74 116.32 2k9z s LYS 7 Ca 0.16 -2.84 -0.14 0.00 -1.01 0.00 0.00 55.97 52.13 2k9z s LYS 7 Cb -0.05 -4.01 0.27 0.00 -1.01 0.00 0.00 37.83 33.03 2k9z s LYS 7 CO 0.09 -1.23 1.04 -1.25 0.51 0.00 0.00 175.35 174.51 2k9z s PRO 8 N -0.58 -0.87 0.44 -1.68 0.04 -1.26 -5.01 135.00 126.07 2k9z s PRO 8 Ca 0.22 0.56 -0.23 0.00 0.04 0.00 0.00 61.00 61.59 2k9z s PRO 8 Cb -0.13 -1.58 -0.08 0.00 0.04 0.00 0.00 34.50 32.75 2k9z s PRO 8 CO -0.08 -3.62 1.09 0.95 0.04 0.00 0.00 177.00 175.38 2k9z s THR 9 N -2.63 3.49 0.21 1.26 -4.23 -1.26 -4.96 115.64 107.51 2k9z s THR 9 Ca 0.68 1.10 0.22 0.00 -1.18 0.00 0.00 61.69 62.51 2k9z s THR 9 Cb -0.21 -3.55 0.20 0.00 1.34 0.00 0.00 72.50 70.28 2k9z s THR 9 CO 0.61 -0.03 1.83 1.55 -0.54 0.00 0.00 174.62 178.04 2k9z h PRO 10 N 2.18 0.00 -0.36 3.99 0.13 -1.99 -2.52 132.00 133.43 2k9z h PRO 10 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2k9z h PRO 10 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2k9z h PRO 10 CO 0.61 0.27 0.11 0.93 -0.23 0.00 0.00 178.00 179.69 2k9z h GLU 11 N 0.00 0.56 -0.54 0.86 5.08 -2.01 -2.67 114.58 115.87 2k9z h GLU 11 Ca -0.00 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2k9z h GLU 11 Cb 0.73 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2k9z h GLU 11 CO 0.04 0.59 0.36 -0.22 -1.00 0.00 0.00 179.01 178.78 2k9z h LYS 12 N 0.43 0.46 0.00 2.33 1.63 -1.85 0.03 116.57 119.60 2k9z h LYS 12 Ca 0.12 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 2k9z h LYS 12 Cb 0.26 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 2k9z h LYS 12 CO -0.00 0.30 0.00 -0.07 -3.45 0.00 0.00 179.45 176.23 2k9z h LEU 13 N 0.47 0.00 0.08 5.20 -0.00 -1.35 -1.02 115.31 118.69 2k9z h LEU 13 Ca 0.24 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.83 2k9z h LEU 13 Cb 0.34 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.02 2k9z h LEU 13 CO -0.06 0.00 -1.20 0.11 -0.00 0.00 0.00 178.44 177.29 2k9z h LYS 14 N 0.00 0.64 0.00 1.13 6.56 -0.77 -3.30 116.57 120.82 2k9z h LYS 14 Ca 0.00 -0.80 -0.01 0.00 -1.06 0.00 0.00 60.65 58.78 2k9z h LYS 14 Cb 0.54 0.26 -0.00 0.00 -0.57 0.00 0.00 32.23 32.45 2k9z h LYS 14 CO 0.00 1.36 -0.05 0.93 -2.06 0.00 0.00 179.45 179.63 2k9z h GLU 15 N 0.30 0.00 0.00 3.15 5.08 -0.79 -2.29 114.58 120.03 2k9z h GLU 15 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2k9z h GLU 15 Cb 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 2k9z h GLU 15 CO 0.23 0.05 0.00 1.28 -1.00 0.00 0.00 179.01 179.57 2k9z n LEU 16 N -3.16 0.00 -1.68 1.33 4.32 -0.49 -4.92 117.00 112.39 2k9z n LEU 16 Ca 0.01 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.81 2k9z n LEU 16 Cb 0.34 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.07 2k9z n LEU 16 CO 0.29 0.00 -0.19 -1.54 -1.22 0.00 0.00 177.39 174.73 2k9z n SER 17 N -0.90 -5.05 -0.25 -1.43 3.41 -0.86 -4.88 113.62 103.66 2k9z n SER 17 Ca 0.18 0.40 0.04 0.00 -0.26 0.00 0.00 58.87 59.24 2k9z n SER 17 Cb 0.08 -4.46 0.28 0.00 -0.26 0.00 0.00 64.21 59.86 2k9z n SER 17 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2k9z h VAL 18 N 0.00 1.07 -0.31 -3.33 2.07 -1.79 0.19 116.25 114.15 2k9z h VAL 18 Ca -0.40 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 66.89 2k9z h VAL 18 Cb 1.25 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2k9z h VAL 18 CO 0.56 0.17 0.40 1.05 0.02 0.00 0.00 177.57 179.77 2k9z h GLU 19 N 0.93 0.00 0.00 1.57 4.11 -1.90 -1.23 114.58 118.06 2k9z h GLU 19 Ca 0.34 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.63 2k9z h GLU 19 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2k9z h GLU 19 CO -0.12 0.00 -1.23 0.87 0.07 0.00 0.00 179.01 178.61 2k9z h LYS 20 N 0.00 0.00 -7.21 1.06 1.57 -1.00 -3.48 116.57 107.51 2k9z h LYS 20 Ca 0.15 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.45 2k9z h LYS 20 Cb 0.94 0.00 0.20 0.00 0.08 0.00 0.00 32.23 33.45 2k9z h LYS 20 CO -0.00 0.30 0.12 -1.58 -0.57 0.00 0.00 179.45 177.72 2k9z s TRP 21 N -2.97 1.52 0.35 -1.35 0.52 -0.47 -4.96 118.94 111.59 2k9z s TRP 21 Ca -0.02 1.47 -0.28 0.00 0.02 0.00 0.00 56.10 57.30 2k9z s TRP 21 Cb 0.09 -3.21 -0.10 0.00 -1.15 0.00 0.00 33.47 29.10 2k9z s TRP 21 CO 0.80 -3.31 1.29 -1.25 0.02 0.00 0.00 176.95 174.50 2k9z s PRO 22 N -4.57 4.27 0.43 4.98 0.04 -1.24 -4.88 135.00 134.03 2k9z s PRO 22 Ca 0.67 2.17 -0.10 0.00 0.04 0.00 0.00 61.00 63.78 2k9z s PRO 22 Cb -0.24 -2.99 -0.06 0.00 0.04 0.00 0.00 34.50 31.25 2k9z s PRO 22 CO 0.61 -0.24 0.80 0.42 0.04 0.00 0.00 177.00 178.63 2k9z s ILE 23 N -1.18 4.78 -0.04 0.56 1.01 -1.26 -1.76 121.20 123.32 2k9z s ILE 23 Ca 0.51 0.63 -0.02 0.00 0.00 0.00 0.00 60.65 61.77 2k9z s ILE 23 Cb -0.39 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.35 2k9z s ILE 23 CO 0.51 -0.59 0.08 0.86 0.00 0.00 0.00 174.94 175.80 2k9z s TRP 24 N -2.46 -0.07 -0.02 3.97 -0.00 -0.77 -4.89 118.94 114.71 2k9z s TRP 24 Ca 0.52 0.25 0.00 0.00 -0.00 0.00 0.00 56.10 56.87 2k9z s TRP 24 Cb -0.10 -0.09 0.02 0.00 -0.00 0.00 0.00 33.47 33.30 2k9z s TRP 24 CO 0.34 -0.09 -0.00 -1.21 -0.00 0.00 0.00 176.95 175.98 2k9z s GLU 25 N 0.70 0.22 0.25 5.86 2.02 -1.26 -3.27 118.70 123.22 2k9z s GLU 25 Ca -0.06 0.04 0.01 0.00 0.02 0.00 0.00 54.97 54.99 2k9z s GLU 25 Cb -0.08 -0.36 -0.05 0.00 0.10 0.00 0.00 34.13 33.74 2k9z s GLU 25 CO -0.03 -0.09 0.09 0.21 0.02 0.00 0.00 175.26 175.47 2k9z s LYS 26 N 0.71 1.40 1.13 1.61 2.36 -1.26 -5.10 119.74 120.59 2k9z s LYS 26 Ca -0.07 -1.75 -0.18 0.00 -2.55 0.00 0.00 55.97 51.42 2k9z s LYS 26 Cb -0.10 -0.28 0.26 0.00 -1.05 0.00 0.00 37.83 36.66 2k9z s LYS 26 CO -0.01 -0.28 1.17 -2.00 1.55 0.00 0.00 175.35 175.77 2k9z s GLU 27 N -4.02 -0.64 -0.73 4.03 -6.30 -1.26 -4.59 118.70 105.19 2k9z s GLU 27 Ca 0.37 -0.14 -0.01 0.00 -2.50 0.00 0.00 54.97 52.68 2k9z s GLU 27 Cb 0.08 -1.67 0.40 0.00 0.00 0.00 0.00 34.13 32.93 2k9z s GLU 27 CO 0.13 -3.31 1.93 0.28 0.02 0.00 0.00 175.26 174.32 2k9z n VAL 28 N -4.46 3.48 -3.62 3.70 0.31 -1.26 -4.81 118.33 111.68 2k9z n VAL 28 Ca 0.13 -3.84 -0.14 0.00 -0.01 0.00 0.00 64.34 60.49 2k9z n VAL 28 Cb 0.59 -1.21 0.01 0.00 -0.91 0.00 0.00 33.84 32.32 2k9z n VAL 28 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2k9z n SER 29 N -0.68 1.85 -4.77 4.52 2.88 -1.25 -4.87 113.62 111.29 2k9z n SER 29 Ca 0.56 -2.01 -0.22 0.00 -1.33 0.00 0.00 58.87 55.87 2k9z n SER 29 Cb 0.45 -0.05 -0.05 0.00 -0.75 0.00 0.00 64.21 63.81 2k9z n SER 29 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2k9z s GLU 30 N -3.26 2.58 0.00 -1.46 -1.05 -1.26 -1.11 118.70 113.14 2k9z s GLU 30 Ca 0.19 -1.35 0.00 0.00 -0.15 0.00 0.00 54.97 53.66 2k9z s GLU 30 Cb -0.02 -2.34 0.00 0.00 -0.44 0.00 0.00 34.13 31.33 2k9z s GLU 30 CO 0.12 0.20 0.00 1.97 0.95 0.00 0.00 175.26 178.51 2k9z n PHE 31 N -1.18 -0.26 -3.92 4.83 -1.74 -0.35 -4.97 117.46 109.87 2k9z n PHE 31 Ca -0.04 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.75 2k9z n PHE 31 Cb 0.60 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.49 2k9z n PHE 31 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 2k9z s ASP 32 N 0.35 0.11 0.03 5.98 -4.77 -1.26 -0.26 116.67 116.85 2k9z s ASP 32 Ca 0.00 -0.29 0.02 0.00 -3.30 0.00 0.00 52.55 48.98 2k9z s ASP 32 Cb 0.00 0.15 -0.02 0.00 -1.09 0.00 0.00 42.92 41.96 2k9z s ASP 32 CO 0.00 -0.28 -0.08 0.86 0.70 0.00 0.00 175.17 176.37 2k9z s TRP 33 N -1.19 0.68 -0.32 2.11 -0.11 -0.07 -4.88 118.94 115.16 2k9z s TRP 33 Ca -0.13 -0.33 -0.04 0.00 1.22 0.00 0.00 56.10 56.82 2k9z s TRP 33 Cb -0.08 -0.41 0.05 0.00 -1.50 0.00 0.00 33.47 31.53 2k9z s TRP 33 CO 0.00 -0.04 0.05 -0.47 -4.62 0.00 0.00 176.95 171.87 2k9z s TYR 34 N -0.86 3.27 -0.86 5.86 5.04 -1.26 -1.29 117.35 127.24 2k9z s TYR 34 Ca -0.04 -1.70 -0.25 0.00 -2.44 0.00 0.00 57.07 52.64 2k9z s TYR 34 Cb -0.07 -2.20 0.03 0.00 0.35 0.00 0.00 41.96 40.07 2k9z s TYR 34 CO 0.00 -0.78 1.40 0.71 -1.34 0.00 0.00 175.55 175.55 2k9z s TYR 35 N 1.31 2.34 -0.88 4.97 2.02 0.28 -4.86 117.35 122.54 2k9z s TYR 35 Ca -0.03 -0.33 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 2k9z s TYR 35 Cb -0.20 -4.61 0.32 0.00 -0.40 0.00 0.00 41.96 37.07 2k9z s TYR 35 CO 0.00 -2.02 1.03 -3.47 -1.57 0.00 0.00 175.55 169.53 2k9z n ASP 36 N 9.49 2.74 -3.61 2.29 2.03 -1.26 -0.30 116.55 127.93 2k9z n ASP 36 Ca 0.18 -2.32 -0.06 0.00 0.52 0.00 0.00 54.79 53.11 2k9z n ASP 36 Cb 0.50 -0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 40.36 2k9z n ASP 36 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2k9z s THR 37 N -1.70 0.00 -0.44 5.18 -4.23 -1.26 -4.49 115.64 108.70 2k9z s THR 37 Ca 0.22 -0.25 -0.27 0.00 -1.18 0.00 0.00 61.69 60.21 2k9z s THR 37 Cb 0.16 -1.43 -0.08 0.00 1.34 0.00 0.00 72.50 72.50 2k9z s THR 37 CO 0.07 0.00 2.37 0.59 -0.54 0.00 0.00 174.62 177.12 2k9z n ASN 38 N -0.33 2.44 -4.52 3.99 3.02 -1.15 -4.44 115.26 114.28 2k9z n ASN 38 Ca -0.07 -0.25 -0.35 0.00 -0.03 0.00 0.00 54.58 53.88 2k9z n ASN 38 Cb 0.61 -1.53 -0.12 0.00 -0.61 0.00 0.00 39.78 38.14 2k9z n ASN 38 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2k9z s GLU 39 N 7.73 3.76 0.01 3.52 2.12 -1.25 -1.71 118.70 132.88 2k9z s GLU 39 Ca 1.01 -0.44 -0.03 0.00 0.36 0.00 0.00 54.97 55.87 2k9z s GLU 39 Cb -0.31 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 2k9z s GLU 39 CO 0.31 0.04 0.20 0.99 -0.54 0.00 0.00 175.26 176.27 2k9z s THR 40 N 0.97 5.41 0.10 -1.70 2.01 -0.09 -1.19 115.64 121.15 2k9z s THR 40 Ca 0.03 -0.14 -0.08 0.00 0.31 0.00 0.00 61.69 61.81 2k9z s THR 40 Cb -0.14 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 2k9z s THR 40 CO 0.03 0.30 0.20 0.00 -0.69 0.00 0.00 174.62 174.45 2k9z s TYR 42 N -3.89 1.91 -0.32 0.00 5.04 -0.77 -1.27 117.35 118.04 2k9z s TYR 42 Ca 0.08 -1.60 -0.29 0.00 -2.44 0.00 0.00 57.07 52.83 2k9z s TYR 42 Cb 0.05 -1.57 0.02 0.00 0.35 0.00 0.00 41.96 40.80 2k9z s TYR 42 CO -0.08 -0.77 1.06 0.42 -1.34 0.00 0.00 175.55 174.83 2k9z s ILE 43 N 1.55 4.52 -0.10 3.14 -1.09 -0.54 -3.77 121.20 124.92 2k9z s ILE 43 Ca 0.02 1.70 0.09 0.00 -2.23 0.00 0.00 60.65 60.22 2k9z s ILE 43 Cb -0.18 -4.40 -0.24 0.00 -1.58 0.00 0.00 42.46 36.06 2k9z s ILE 43 CO -0.13 -0.47 0.46 0.18 -1.23 0.00 0.00 174.94 173.75 2k9z n LEU 44 N 6.84 1.18 -3.59 2.97 4.77 -0.96 -1.79 117.00 126.42 2k9z n LEU 44 Ca 0.11 0.28 -0.07 0.00 -0.03 0.00 0.00 56.01 56.30 2k9z n LEU 44 Cb 0.47 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2k9z n LEU 44 CO 0.59 0.53 0.65 -1.83 -1.33 0.00 0.00 177.39 176.00 2k9z s GLU 45 N -2.57 1.04 0.30 3.23 -1.05 -1.23 -4.71 118.70 113.71 2k9z s GLU 45 Ca -0.11 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.25 2k9z s GLU 45 Cb 0.07 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 2k9z s GLU 45 CO 0.80 -0.46 0.00 0.41 0.95 0.00 0.00 175.26 176.96 2k9z n GLY 46 N -0.34 -2.35 2.88 -3.83 0.00 -1.25 -2.15 105.19 98.15 2k9z n GLY 46 Ca -0.09 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 2k9z n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k9z s LYS 47 N -0.66 0.07 0.09 1.61 2.36 -0.95 -3.94 119.74 118.32 2k9z s LYS 47 Ca 0.00 -0.02 0.02 0.00 -2.55 0.00 0.00 55.97 53.42 2k9z s LYS 47 Cb 0.00 -0.10 -0.04 0.00 -1.05 0.00 0.00 37.83 36.65 2k9z s LYS 47 CO 0.00 0.00 -0.07 0.08 1.55 0.00 0.00 175.35 176.92 2k9z s VAL 48 N 0.08 0.63 -0.34 4.02 1.01 -1.06 -1.61 120.40 123.14 2k9z s VAL 48 Ca -0.01 -1.78 -0.00 0.00 0.00 0.00 0.00 61.98 60.20 2k9z s VAL 48 Cb -0.02 -1.48 0.11 0.00 0.00 0.00 0.00 36.38 34.99 2k9z s VAL 48 CO -0.00 -0.80 0.13 -0.70 0.00 0.00 0.00 175.10 173.73 2k9z s GLU 49 N -3.44 0.83 -1.20 2.72 2.12 0.05 -2.58 118.70 117.20 2k9z s GLU 49 Ca 0.08 -1.29 -0.08 0.00 0.36 0.00 0.00 54.97 54.04 2k9z s GLU 49 Cb 0.03 -2.04 0.22 0.00 0.26 0.00 0.00 34.13 32.60 2k9z s GLU 49 CO -0.04 -1.03 1.69 1.33 -0.54 0.00 0.00 175.26 176.66 2k9z n VAL 50 N 4.53 4.68 -2.29 3.70 0.24 -0.04 -1.06 118.33 128.09 2k9z n VAL 50 Ca 0.01 -4.97 -0.43 0.00 -2.04 0.00 0.00 64.34 56.91 2k9z n VAL 50 Cb 0.40 -2.28 -0.02 0.00 -1.47 0.00 0.00 33.84 30.47 2k9z n VAL 50 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2k9z s THR 51 N -0.65 3.91 1.05 3.34 2.01 -1.26 -0.51 115.64 123.53 2k9z s THR 51 Ca 0.37 1.00 -0.13 0.00 0.31 0.00 0.00 61.69 63.24 2k9z s THR 51 Cb 0.06 -4.02 0.22 0.00 0.01 0.00 0.00 72.50 68.78 2k9z s THR 51 CO 0.03 -0.50 1.08 0.42 -0.69 0.00 0.00 174.62 174.96 2k9z s THR 52 N 5.04 2.00 0.39 -0.82 -4.23 -0.43 -2.68 115.64 114.91 2k9z s THR 52 Ca 0.63 0.00 0.33 0.00 -1.18 0.00 0.00 61.69 61.48 2k9z s THR 52 Cb -0.18 -2.40 0.36 0.00 1.34 0.00 0.00 72.50 71.62 2k9z s THR 52 CO 0.28 -0.00 2.12 -0.08 -0.54 0.00 0.00 174.62 176.40 2k9z h GLU 53 N -2.11 0.00 0.00 3.99 4.57 -1.90 -2.52 114.58 116.61 2k9z h GLU 53 Ca -0.57 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 2k9z h GLU 53 Cb 1.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 2k9z h GLU 53 CO 0.56 0.06 0.00 -0.25 -1.18 0.00 0.00 179.01 178.20 2k9z n ASP 54 N -3.35 0.00 0.00 1.04 8.00 -1.26 -4.88 116.55 116.10 2k9z n ASP 54 Ca -0.01 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.30 2k9z n ASP 54 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 2k9z n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k9z n GLY 55 N 0.64 1.93 3.59 0.44 0.00 -0.95 -4.94 105.19 105.90 2k9z n GLY 55 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2k9z n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k9z s LYS 56 N -0.03 3.21 -0.06 1.61 -0.14 -1.26 -4.76 119.74 118.31 2k9z s LYS 56 Ca 0.00 1.52 -0.21 0.00 -1.36 0.00 0.00 55.97 55.91 2k9z s LYS 56 Cb 0.00 -4.26 -0.04 0.00 -1.68 0.00 0.00 37.83 31.85 2k9z s LYS 56 CO 0.00 -2.01 0.61 -1.59 -0.76 0.00 0.00 175.35 171.60 2k9z s LYS 57 N 5.98 4.37 -0.69 1.68 0.00 -1.26 -1.32 119.74 128.50 2k9z s LYS 57 Ca 0.84 0.73 0.01 0.00 0.00 0.00 0.00 55.97 57.55 2k9z s LYS 57 Cb -0.24 -3.41 0.17 0.00 0.00 0.00 0.00 37.83 34.35 2k9z s LYS 57 CO 0.33 0.20 0.50 0.71 0.00 0.00 0.00 175.35 177.09 2k9z s TYR 58 N 0.40 3.53 0.11 1.78 2.02 0.33 -4.90 117.35 120.62 2k9z s TYR 58 Ca 0.32 -3.06 -0.31 0.00 -0.37 0.00 0.00 57.07 53.65 2k9z s TYR 58 Cb -0.17 -3.00 -0.09 0.00 -0.40 0.00 0.00 41.96 38.30 2k9z s TYR 58 CO 0.16 -0.71 1.52 0.08 -1.57 0.00 0.00 175.55 175.03 2k9z s VAL 59 N -0.81 3.01 -0.02 0.71 1.01 -1.26 -0.86 120.40 122.18 2k9z s VAL 59 Ca 0.22 0.65 0.04 0.00 0.00 0.00 0.00 61.98 62.89 2k9z s VAL 59 Cb -0.14 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 2k9z s VAL 59 CO -0.08 0.03 -0.15 0.27 0.00 0.00 0.00 175.10 175.17 2k9z s ILE 60 N 1.62 1.17 0.49 2.22 -4.36 -1.07 -4.99 121.20 116.27 2k9z s ILE 60 Ca 0.69 -0.62 0.02 0.00 -0.26 0.00 0.00 60.65 60.48 2k9z s ILE 60 Cb -0.40 -0.98 -0.01 0.00 1.25 0.00 0.00 42.46 42.32 2k9z s ILE 60 CO 0.31 0.33 0.06 -1.61 0.24 0.00 0.00 174.94 174.27 2k9z s GLU 61 N -0.24 2.15 -1.10 0.37 2.02 -1.26 -2.55 118.70 118.09 2k9z s GLU 61 Ca 0.03 -2.38 -0.08 0.00 0.02 0.00 0.00 54.97 52.57 2k9z s GLU 61 Cb -0.07 -1.15 -0.06 0.00 0.10 0.00 0.00 34.13 32.95 2k9z s GLU 61 CO -0.00 -0.47 2.32 0.36 0.02 0.00 0.00 175.26 177.49 2k9z n LYS 62 N -1.18 2.49 0.00 1.61 2.85 -1.25 -3.17 118.16 119.50 2k9z n LYS 62 Ca -0.16 -1.70 0.00 0.00 -1.05 0.00 0.00 58.31 55.40 2k9z n LYS 62 Cb 0.66 -2.59 0.00 0.00 -0.65 0.00 0.00 35.03 32.45 2k9z n LYS 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k9z n GLY 63 N 3.77 0.00 3.26 2.58 0.00 -0.74 -4.77 105.19 109.29 2k9z n GLY 63 Ca 0.54 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 2k9z n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k9z s ASP 64 N 0.00 2.72 -0.00 1.61 1.01 -1.19 -4.71 116.67 116.11 2k9z s ASP 64 Ca 0.00 -0.42 -0.12 0.00 0.71 0.00 0.00 52.55 52.71 2k9z s ASP 64 Cb 0.00 -0.36 -0.05 0.00 1.01 0.00 0.00 42.92 43.51 2k9z s ASP 64 CO 0.00 0.28 0.36 -0.22 0.21 0.00 0.00 175.17 175.80 2k9z s LEU 65 N -0.48 4.44 -0.02 1.23 2.96 -0.87 -1.47 118.68 124.47 2k9z s LEU 65 Ca 0.07 0.85 0.05 0.00 -0.22 0.00 0.00 54.13 54.88 2k9z s LEU 65 Cb -0.09 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.00 2k9z s LEU 65 CO -0.00 0.31 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.47 2k9z s VAL 66 N -1.14 1.40 -0.32 1.68 1.01 -0.40 -2.82 120.40 119.82 2k9z s VAL 66 Ca 0.24 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2k9z s VAL 66 Cb -0.15 -1.17 0.09 0.00 0.00 0.00 0.00 36.38 35.15 2k9z s VAL 66 CO 0.13 0.40 0.01 -0.89 0.00 0.00 0.00 175.10 174.75 2k9z s THR 67 N -0.38 2.17 0.57 3.92 2.01 -0.63 -1.62 115.64 121.67 2k9z s THR 67 Ca 0.06 -2.11 -0.18 0.00 0.31 0.00 0.00 61.69 59.77 2k9z s THR 67 Cb -0.07 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 2k9z s THR 67 CO -0.00 -0.46 1.11 -0.36 -0.69 0.00 0.00 174.62 174.22 2k9z s PHE 68 N 0.99 2.70 0.00 4.92 0.08 -0.33 -1.37 117.98 124.98 2k9z s PHE 68 Ca 0.06 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.65 2k9z s PHE 68 Cb -0.19 -3.22 0.00 0.00 -0.57 0.00 0.00 43.02 39.03 2k9z s PHE 68 CO -0.08 -1.52 0.00 -0.35 -0.10 0.00 0.00 175.22 173.17 2k9z n PRO 69 N -1.61 0.35 -3.64 0.24 -0.04 -1.13 -3.82 135.00 125.35 2k9z n PRO 69 Ca 0.11 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 2k9z n PRO 69 Cb 0.51 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.90 2k9z n PRO 69 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2k9z s LYS 70 N -1.36 4.20 -0.07 0.54 2.20 -1.26 -2.93 119.74 121.06 2k9z s LYS 70 Ca 0.00 -0.10 -0.02 0.00 -0.36 0.00 0.00 55.97 55.49 2k9z s LYS 70 Cb 0.00 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 2k9z s LYS 70 CO 0.00 0.23 0.06 0.41 -0.36 0.00 0.00 175.35 175.69 2k9z n GLY 71 N 3.60 -1.69 2.90 5.54 0.00 0.59 -4.87 105.19 111.26 2k9z n GLY 71 Ca -0.14 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 2k9z n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k9z s LEU 72 N -0.89 0.83 -0.16 0.99 0.20 -0.82 -5.00 118.68 113.83 2k9z s LEU 72 Ca 0.03 0.25 -0.03 0.00 0.69 0.00 0.00 54.13 55.07 2k9z s LEU 72 Cb -0.01 0.29 -0.02 0.00 -0.43 0.00 0.00 46.19 46.02 2k9z s LEU 72 CO 0.14 -0.14 -0.06 0.00 -0.29 0.00 0.00 176.35 176.00 2k9z s ARG 73 N 1.09 3.55 0.29 1.98 3.03 -1.26 -0.56 118.95 127.07 2k9z s ARG 73 Ca -0.09 -0.58 -0.07 0.00 2.03 0.00 0.00 55.73 57.02 2k9z s ARG 73 Cb -0.11 -2.86 -0.00 0.00 -1.03 0.00 0.00 34.95 30.94 2k9z s ARG 73 CO -0.05 0.15 0.45 0.00 -1.13 0.00 0.00 175.30 174.72 2k9z n ARG 75 N -0.45 -1.54 -3.27 0.00 3.00 -1.09 -0.89 116.66 112.42 2k9z n ARG 75 Ca -0.00 -1.62 -0.06 0.00 -0.00 0.00 0.00 57.85 56.17 2k9z n ARG 75 Cb 0.62 -1.18 -0.03 0.00 0.00 0.00 0.00 32.46 31.86 2k9z n ARG 75 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2k9z s TRP 76 N -3.18 -1.19 -0.28 -0.14 0.52 0.65 -4.42 118.94 110.90 2k9z s TRP 76 Ca 0.61 -0.13 -0.26 0.00 0.02 0.00 0.00 56.10 56.34 2k9z s TRP 76 Cb -0.03 0.04 0.00 0.00 -1.15 0.00 0.00 33.47 32.34 2k9z s TRP 76 CO 0.44 -1.10 0.89 0.21 0.02 0.00 0.00 176.95 177.41 2k9z s LYS 77 N 1.71 4.10 -0.80 4.98 2.47 -0.22 -1.21 119.74 130.78 2k9z s LYS 77 Ca 0.16 0.91 -0.21 0.00 -1.56 0.00 0.00 55.97 55.28 2k9z s LYS 77 Cb -0.08 -3.69 0.10 0.00 -1.46 0.00 0.00 37.83 32.70 2k9z s LYS 77 CO -0.06 -0.66 1.05 0.08 0.16 0.00 0.00 175.35 175.92 2k9z s VAL 78 N 3.08 4.51 0.28 4.02 1.01 -0.27 -0.77 120.40 132.26 2k9z s VAL 78 Ca 0.37 -0.96 0.13 0.00 0.00 0.00 0.00 61.98 61.52 2k9z s VAL 78 Cb -0.14 -4.74 0.03 0.00 0.00 0.00 0.00 36.38 31.53 2k9z s VAL 78 CO 0.10 -1.49 1.69 -0.07 0.00 0.00 0.00 175.10 175.33 2k9z h LEU 79 N 10.95 0.00 -7.52 3.92 3.38 -1.56 -3.33 115.31 121.15 2k9z h LEU 79 Ca -0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 2k9z h LEU 79 Cb 1.05 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.59 2k9z h LEU 79 CO 1.16 0.51 -0.31 -1.61 0.09 0.00 0.00 178.44 178.28 2k9z s GLU 80 N -3.76 0.60 -0.34 1.13 0.41 -0.80 -4.91 118.70 111.04 2k9z s GLU 80 Ca -0.01 -0.11 -0.27 0.00 -0.41 0.00 0.00 54.97 54.16 2k9z s GLU 80 Cb 0.13 0.27 -0.06 0.00 -1.78 0.00 0.00 34.13 32.69 2k9z s GLU 80 CO 0.74 -0.15 2.31 -0.35 -0.49 0.00 0.00 175.26 177.31 2k9z n PRO 81 N 1.55 1.57 -3.06 0.39 -0.04 -1.26 -2.24 135.00 131.91 2k9z n PRO 81 Ca -0.20 0.30 -0.33 0.00 -0.04 0.00 0.00 63.50 63.23 2k9z n PRO 81 Cb 0.56 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.63 2k9z n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k9z s VAL 82 N 10.01 4.59 -0.06 0.52 0.11 -1.26 -3.84 120.40 130.47 2k9z s VAL 82 Ca 1.00 1.12 0.02 0.00 -2.93 0.00 0.00 61.98 61.19 2k9z s VAL 82 Cb -0.27 -3.64 0.01 0.00 -1.53 0.00 0.00 36.38 30.96 2k9z s VAL 82 CO 0.31 -0.18 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.66 2k9z s ARG 83 N -2.92 1.70 -0.00 1.54 0.52 -0.91 -4.11 118.95 114.76 2k9z s ARG 83 Ca 0.55 -0.42 -0.04 0.00 -0.52 0.00 0.00 55.73 55.30 2k9z s ARG 83 Cb -0.11 -1.41 -0.00 0.00 0.52 0.00 0.00 34.95 33.96 2k9z s ARG 83 CO 0.17 0.03 0.08 -1.59 0.02 0.00 0.00 175.30 174.01 2k9z s LYS 84 N 0.66 0.32 0.03 3.54 0.00 -1.20 -2.28 119.74 120.81 2k9z s LYS 84 Ca -0.15 -0.29 -0.30 0.00 0.00 0.00 0.00 55.97 55.23 2k9z s LYS 84 Cb -0.16 0.13 -0.05 0.00 0.00 0.00 0.00 37.83 37.75 2k9z s LYS 84 CO 0.04 -0.07 1.26 -1.01 0.00 0.00 0.00 175.35 175.57 2k9z s HIS 85 N -0.97 3.24 0.33 1.78 3.76 -1.25 -1.84 115.29 120.35 2k9z s HIS 85 Ca -0.11 1.14 0.09 0.00 -0.15 0.00 0.00 55.06 56.04 2k9z s HIS 85 Cb -0.06 -3.50 -0.05 0.00 1.11 0.00 0.00 32.58 30.08 2k9z s HIS 85 CO 0.00 -1.65 0.07 1.52 -0.85 0.00 0.00 174.74 173.83 2k9z s TYR 86 N 1.59 2.64 -0.02 1.40 1.13 -0.72 -1.85 117.35 121.52 2k9z s TYR 86 Ca 0.60 -0.38 -0.20 0.00 -1.41 0.00 0.00 57.07 55.67 2k9z s TYR 86 Cb -0.30 -1.51 0.04 0.00 -1.10 0.00 0.00 41.96 39.10 2k9z s TYR 86 CO 0.27 0.44 0.44 1.21 -2.51 0.00 0.00 175.55 175.40 2k9z s ASN 87 N -3.77 -0.35 0.27 -0.18 2.47 0.09 -3.61 114.94 109.86 2k9z s ASN 87 Ca 0.35 0.28 0.06 0.00 0.42 0.00 0.00 52.86 53.98 2k9z s ASN 87 Cb -0.02 0.40 -0.03 0.00 -1.45 0.00 0.00 41.25 40.15 2k9z s ASN 87 CO 0.21 -0.52 0.34 -0.76 -3.72 0.00 0.00 177.10 172.65 2k9z s LEU 88 N -1.36 4.09 0.00 3.21 1.43 -1.26 -0.92 118.68 123.88 2k9z s LEU 88 Ca -0.12 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 2k9z s LEU 88 Cb -0.03 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.50 2k9z s LEU 88 CO 0.05 -0.16 0.00 2.22 0.23 0.00 0.00 176.35 178.70