#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9z s GLU 2 N 0.00 2.58 -0.00 2.12 0.41 -1.26 -4.84 118.70 117.71 2k9z s GLU 2 Ca 0.00 -1.29 -0.00 0.00 -0.41 0.00 0.00 54.97 53.27 2k9z s GLU 2 Cb 0.00 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 30.01 2k9z s GLU 2 CO 0.00 0.32 0.00 0.28 -0.49 0.00 0.00 175.26 175.38 2k9z n VAL 3 N -1.07 -1.93 -2.61 2.63 0.31 -1.26 -4.83 118.33 109.56 2k9z n VAL 3 Ca -0.06 0.43 -0.42 0.00 -0.01 0.00 0.00 64.34 64.29 2k9z n VAL 3 Cb 0.59 -2.95 -0.03 0.00 -0.91 0.00 0.00 33.84 30.54 2k9z n VAL 3 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2k9z s LYS 4 N -0.85 3.31 -0.19 5.55 2.20 -1.18 -4.89 119.74 123.69 2k9z s LYS 4 Ca -0.00 -0.12 -0.03 0.00 -0.36 0.00 0.00 55.97 55.46 2k9z s LYS 4 Cb 0.00 -4.11 -0.02 0.00 -1.51 0.00 0.00 37.83 32.19 2k9z s LYS 4 CO 0.01 -1.90 -0.05 0.42 -0.36 0.00 0.00 175.35 173.47 2k9z s ILE 5 N 5.17 3.53 0.30 5.43 1.01 -1.26 -2.77 121.20 132.61 2k9z s ILE 5 Ca 0.36 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 60.37 2k9z s ILE 5 Cb -0.09 -2.57 0.07 0.00 0.01 0.00 0.00 42.46 39.88 2k9z s ILE 5 CO 0.19 0.46 0.91 -1.83 0.00 0.00 0.00 174.94 174.66 2k9z s GLU 6 N 0.96 1.85 -0.79 2.79 -1.05 -1.03 -4.98 118.70 116.44 2k9z s GLU 6 Ca -0.00 -1.20 -0.02 0.00 -0.15 0.00 0.00 54.97 53.60 2k9z s GLU 6 Cb -0.15 0.51 0.20 0.00 -0.44 0.00 0.00 34.13 34.25 2k9z s GLU 6 CO 0.01 -0.87 0.65 0.15 0.95 0.00 0.00 175.26 176.15 2k9z s LYS 7 N -2.09 2.99 0.30 -4.83 3.01 -1.26 -0.36 119.74 117.50 2k9z s LYS 7 Ca 0.19 -3.04 -0.29 0.00 -1.01 0.00 0.00 55.97 51.82 2k9z s LYS 7 Cb -0.04 -3.85 -0.10 0.00 -1.01 0.00 0.00 37.83 32.83 2k9z s LYS 7 CO 0.09 -1.24 1.25 -1.25 0.51 0.00 0.00 175.35 174.71 2k9z s PRO 8 N -0.94 4.44 0.48 -1.68 0.04 -1.26 -4.96 135.00 131.12 2k9z s PRO 8 Ca 0.24 2.08 -0.21 0.00 0.04 0.00 0.00 61.00 63.15 2k9z s PRO 8 Cb -0.11 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.21 2k9z s PRO 8 CO -0.10 -0.08 0.68 -2.37 0.04 0.00 0.00 177.00 175.17 2k9z n THR 9 N 1.09 2.24 0.49 1.26 5.66 -1.26 -4.84 114.28 118.92 2k9z n THR 9 Ca 0.00 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.57 2k9z n THR 9 Cb 0.43 -0.78 0.29 0.00 -1.55 0.00 0.00 70.33 68.72 2k9z n THR 9 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2k9z n PRO 10 N 0.15 0.04 -0.04 1.09 -0.04 -1.26 -3.09 135.00 131.85 2k9z n PRO 10 Ca 0.11 0.25 -0.13 0.00 -0.04 0.00 0.00 63.50 63.70 2k9z n PRO 10 Cb 0.43 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 2k9z n PRO 10 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k9z h GLU 11 N 0.00 -0.02 -0.44 0.54 5.08 -2.01 -3.10 114.58 114.63 2k9z h GLU 11 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k9z h GLU 11 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2k9z h GLU 11 CO 0.00 0.75 0.28 -0.22 -1.00 0.00 0.00 179.01 178.82 2k9z h LYS 12 N -0.87 0.58 -0.59 2.33 1.63 -1.91 -2.17 116.57 115.57 2k9z h LYS 12 Ca -0.00 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 2k9z h LYS 12 Cb 0.78 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 2k9z h LYS 12 CO 0.00 0.39 0.26 -0.07 -3.45 0.00 0.00 179.45 176.58 2k9z h LEU 13 N 0.59 0.79 -1.61 5.20 3.38 -1.63 -1.05 115.31 120.98 2k9z h LEU 13 Ca 0.16 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2k9z h LEU 13 Cb -0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2k9z h LEU 13 CO -0.03 0.72 0.35 0.11 0.09 0.00 0.00 178.44 179.68 2k9z h LYS 14 N 0.80 0.47 0.12 1.13 6.56 -1.31 -2.07 116.57 122.27 2k9z h LYS 14 Ca 0.20 -0.03 -0.29 0.00 -1.06 0.00 0.00 60.65 59.47 2k9z h LYS 14 Cb 0.16 -0.10 0.02 0.00 -0.57 0.00 0.00 32.23 31.74 2k9z h LYS 14 CO -0.02 0.31 -1.23 0.93 -2.06 0.00 0.00 179.45 177.37 2k9z h GLU 15 N 0.48 0.56 0.00 3.15 5.08 -1.31 -3.15 114.58 119.38 2k9z h GLU 15 Ca 0.23 -0.76 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2k9z h GLU 15 Cb 0.29 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2k9z h GLU 15 CO -0.06 1.34 0.04 -0.07 -1.00 0.00 0.00 179.01 179.26 2k9z h LEU 16 N 0.24 0.00 -1.14 1.33 4.07 -0.52 -3.46 115.31 115.83 2k9z h LEU 16 Ca -0.18 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.47 2k9z h LEU 16 Cb 1.91 0.00 0.12 0.00 1.08 0.00 0.00 40.66 43.77 2k9z h LEU 16 CO 0.23 0.00 -0.59 -1.20 -1.08 0.00 0.00 178.44 175.80 2k9z n SER 17 N -3.01 -4.51 0.26 -0.43 7.64 -0.97 -4.87 113.62 107.73 2k9z n SER 17 Ca -0.03 -0.47 0.18 0.00 1.01 0.00 0.00 58.87 59.56 2k9z n SER 17 Cb 0.11 -4.31 0.91 0.00 -1.01 0.00 0.00 64.21 59.91 2k9z n SER 17 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2k9z h VAL 18 N -2.05 0.30 0.00 0.44 2.07 -1.84 0.25 116.25 115.42 2k9z h VAL 18 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2k9z h VAL 18 Cb 1.30 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2k9z h VAL 18 CO 0.45 0.00 0.00 1.05 0.02 0.00 0.00 177.57 179.09 2k9z h GLU 19 N 0.00 0.00 -0.00 1.57 4.11 -1.89 -2.44 114.58 115.93 2k9z h GLU 19 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2k9z h GLU 19 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k9z h GLU 19 CO -0.00 0.00 -0.37 1.63 0.07 0.00 0.00 179.01 180.34 2k9z n LYS 20 N -3.02 0.37 -2.31 1.06 5.02 0.88 -4.91 118.16 115.25 2k9z n LYS 20 Ca 0.01 -0.21 -0.32 0.00 -2.02 0.00 0.00 58.31 55.78 2k9z n LYS 20 Cb 0.34 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 2k9z n LYS 20 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2k9z s TRP 21 N -2.78 3.45 0.13 2.13 0.51 -0.92 -5.01 118.94 116.46 2k9z s TRP 21 Ca 0.17 1.45 -0.31 0.00 -2.12 0.00 0.00 56.10 55.29 2k9z s TRP 21 Cb 0.18 -2.79 -0.08 0.00 -0.81 0.00 0.00 33.47 29.97 2k9z s TRP 21 CO 0.61 -0.44 1.34 -1.25 -0.51 0.00 0.00 176.95 176.70 2k9z s PRO 22 N -4.21 4.35 0.25 4.98 0.04 -1.24 -4.91 135.00 134.26 2k9z s PRO 22 Ca 0.59 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 63.38 2k9z s PRO 22 Cb -0.10 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 31.10 2k9z s PRO 22 CO 0.34 -0.36 0.90 0.42 0.04 0.00 0.00 177.00 178.34 2k9z s ILE 23 N 0.82 4.18 -0.08 0.56 1.01 -1.26 -3.11 121.20 123.31 2k9z s ILE 23 Ca 0.62 1.92 -0.03 0.00 0.00 0.00 0.00 60.65 63.16 2k9z s ILE 23 Cb -0.36 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 37.95 2k9z s ILE 23 CO 0.32 0.40 0.06 0.86 0.00 0.00 0.00 174.94 176.59 2k9z s TRP 24 N -1.30 0.16 0.17 3.97 -0.00 -1.22 -4.98 118.94 115.74 2k9z s TRP 24 Ca 0.42 0.07 0.10 0.00 -0.00 0.00 0.00 56.10 56.69 2k9z s TRP 24 Cb -0.23 -0.57 -0.04 0.00 -0.00 0.00 0.00 33.47 32.63 2k9z s TRP 24 CO 0.28 -0.29 -0.15 -1.83 -0.00 0.00 0.00 176.95 174.96 2k9z s GLU 25 N 2.14 1.84 0.15 5.86 -1.05 -1.26 -3.95 118.70 122.44 2k9z s GLU 25 Ca 0.04 -1.34 0.02 0.00 -0.15 0.00 0.00 54.97 53.54 2k9z s GLU 25 Cb -0.13 -2.05 -0.04 0.00 -0.44 0.00 0.00 34.13 31.46 2k9z s GLU 25 CO -0.05 0.43 -0.02 0.15 0.95 0.00 0.00 175.26 176.72 2k9z s LYS 26 N -2.67 1.03 1.16 -4.83 -0.14 -1.25 -5.07 119.74 107.97 2k9z s LYS 26 Ca 0.22 -1.48 -0.18 0.00 -1.36 0.00 0.00 55.97 53.18 2k9z s LYS 26 Cb -0.09 -0.27 0.27 0.00 -1.68 0.00 0.00 37.83 36.06 2k9z s LYS 26 CO 0.13 -0.09 1.11 -1.83 -0.76 0.00 0.00 175.35 173.91 2k9z s GLU 27 N -3.88 -0.91 0.00 1.68 1.03 -1.26 -4.34 118.70 111.02 2k9z s GLU 27 Ca 0.20 0.01 0.26 0.00 0.03 0.00 0.00 54.97 55.48 2k9z s GLU 27 Cb 0.06 -1.63 1.39 0.00 -0.80 0.00 0.00 34.13 33.15 2k9z s GLU 27 CO 0.01 -3.52 1.91 0.28 -1.33 0.00 0.00 175.26 172.61 2k9z n VAL 28 N -4.64 0.12 -1.69 1.83 0.31 -1.26 -4.68 118.33 108.32 2k9z n VAL 28 Ca 0.12 0.03 -0.29 0.00 -0.01 0.00 0.00 64.34 64.18 2k9z n VAL 28 Cb 0.59 -0.60 0.16 0.00 -0.91 0.00 0.00 33.84 33.08 2k9z n VAL 28 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2k9z s SER 29 N -2.43 3.21 0.49 4.52 0.15 -1.26 -4.23 113.70 114.14 2k9z s SER 29 Ca 0.29 0.62 0.07 0.00 0.70 0.00 0.00 55.95 57.63 2k9z s SER 29 Cb 0.18 -0.94 0.01 0.00 -1.71 0.00 0.00 66.02 63.56 2k9z s SER 29 CO 0.38 -2.71 0.43 -1.83 1.20 0.00 0.00 173.24 170.71 2k9z s GLU 30 N -5.58 2.37 0.00 5.44 1.03 -1.26 -3.27 118.70 117.43 2k9z s GLU 30 Ca 0.68 -1.77 0.00 0.00 0.03 0.00 0.00 54.97 53.92 2k9z s GLU 30 Cb -0.09 -2.27 0.00 0.00 -0.80 0.00 0.00 34.13 30.97 2k9z s GLU 30 CO 0.53 -0.44 0.00 1.97 -1.33 0.00 0.00 175.26 175.98 2k9z n PHE 31 N -1.70 0.00 -4.07 4.83 1.16 -1.26 -4.97 117.46 111.45 2k9z n PHE 31 Ca 0.03 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.28 2k9z n PHE 31 Cb 0.63 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.35 2k9z n PHE 31 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 2k9z s ASP 32 N 0.00 4.22 0.14 5.98 -4.77 -1.26 -1.14 116.67 119.85 2k9z s ASP 32 Ca 0.00 -1.25 -0.02 0.00 -3.30 0.00 0.00 52.55 47.98 2k9z s ASP 32 Cb 0.00 -1.54 -0.05 0.00 -1.09 0.00 0.00 42.92 40.24 2k9z s ASP 32 CO 0.00 -0.16 0.34 0.86 0.70 0.00 0.00 175.17 176.91 2k9z s TRP 33 N 1.14 3.49 -0.18 2.11 -0.11 -0.72 -4.98 118.94 119.69 2k9z s TRP 33 Ca -0.06 0.38 -0.01 0.00 1.22 0.00 0.00 56.10 57.63 2k9z s TRP 33 Cb -0.19 -1.88 0.05 0.00 -1.50 0.00 0.00 33.47 29.96 2k9z s TRP 33 CO -0.06 0.46 -0.02 -0.47 -4.62 0.00 0.00 176.95 172.24 2k9z s TYR 34 N -1.70 1.45 -0.05 5.86 6.14 -1.26 -2.89 117.35 124.90 2k9z s TYR 34 Ca 0.38 -1.00 -0.17 0.00 0.64 0.00 0.00 57.07 56.92 2k9z s TYR 34 Cb -0.12 -1.20 -0.05 0.00 0.42 0.00 0.00 41.96 41.02 2k9z s TYR 34 CO 0.27 -0.61 0.47 0.71 0.64 0.00 0.00 175.55 177.04 2k9z s TYR 35 N 1.72 3.64 -0.11 4.97 2.02 -0.41 -4.97 117.35 124.20 2k9z s TYR 35 Ca -0.00 0.99 0.14 0.00 -0.37 0.00 0.00 57.07 57.83 2k9z s TYR 35 Cb -0.16 -2.45 0.27 0.00 -0.40 0.00 0.00 41.96 39.22 2k9z s TYR 35 CO -0.07 0.40 1.14 -0.40 -1.57 0.00 0.00 175.55 175.04 2k9z n ASP 36 N 2.71 1.65 -3.65 2.29 5.68 -1.26 -0.99 116.55 122.98 2k9z n ASP 36 Ca -0.10 -2.97 -0.01 0.00 -0.50 0.00 0.00 54.79 51.21 2k9z n ASP 36 Cb 0.52 -0.40 -0.04 0.00 -1.14 0.00 0.00 41.12 40.06 2k9z n ASP 36 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2k9z s THR 37 N -2.17 0.00 -0.54 2.12 -4.23 -1.24 -4.50 115.64 105.08 2k9z s THR 37 Ca 0.27 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.47 2k9z s THR 37 Cb 0.25 -1.00 -0.12 0.00 1.34 0.00 0.00 72.50 72.97 2k9z s THR 37 CO -0.01 0.00 2.39 0.59 -0.54 0.00 0.00 174.62 177.04 2k9z n ASN 38 N 0.49 1.81 -3.84 3.99 3.02 -1.23 -4.60 115.26 114.91 2k9z n ASN 38 Ca 0.01 0.04 -0.29 0.00 -0.03 0.00 0.00 54.58 54.31 2k9z n ASN 38 Cb 0.59 -1.31 -0.12 0.00 -0.61 0.00 0.00 39.78 38.33 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 7.56 2.04 0.58 3.52 2.12 -1.21 -2.04 118.70 131.26 2k9z s GLU 39 Ca 1.11 -2.87 -0.21 0.00 0.36 0.00 0.00 54.97 53.36 2k9z s GLU 39 Cb -0.70 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 2k9z s GLU 39 CO 0.41 -1.24 1.35 0.99 -0.54 0.00 0.00 175.26 176.23 2k9z s THR 40 N -0.79 2.01 -0.10 -1.70 2.01 -1.22 -4.23 115.64 111.64 2k9z s THR 40 Ca 0.23 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.18 2k9z s THR 40 Cb -0.12 -3.00 0.04 0.00 0.01 0.00 0.00 72.50 69.43 2k9z s THR 40 CO -0.11 -0.00 0.23 0.00 -0.69 0.00 0.00 174.62 174.06 2k9z s TYR 42 N 0.84 3.01 0.17 0.00 5.04 -1.13 -1.55 117.35 123.73 2k9z s TYR 42 Ca -0.06 -1.57 -0.30 0.00 -2.44 0.00 0.00 57.07 52.70 2k9z s TYR 42 Cb -0.07 -2.03 -0.07 0.00 0.35 0.00 0.00 41.96 40.14 2k9z s TYR 42 CO -0.05 -0.74 1.04 0.42 -1.34 0.00 0.00 175.55 174.88 2k9z s ILE 43 N 1.32 4.06 0.00 3.14 -1.09 -1.26 -1.76 121.20 125.61 2k9z s ILE 43 Ca 0.01 1.79 0.00 0.00 -2.23 0.00 0.00 60.65 60.22 2k9z s ILE 43 Cb -0.16 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 2k9z s ILE 43 CO -0.06 0.31 0.00 0.18 -1.23 0.00 0.00 174.94 174.14 2k9z n LEU 44 N 2.36 0.01 -3.48 2.97 4.77 -1.26 -3.67 117.00 118.70 2k9z n LEU 44 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 2k9z n LEU 44 Cb 0.47 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2k9z n LEU 44 CO 0.53 0.00 0.50 -1.83 -1.33 0.00 0.00 177.39 175.26 2k9z s GLU 45 N -1.97 1.05 0.00 3.23 -1.05 -1.26 -4.59 118.70 114.11 2k9z s GLU 45 Ca 0.00 -0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.69 2k9z s GLU 45 Cb 0.00 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 2k9z s GLU 45 CO 0.00 -0.41 0.00 0.41 0.95 0.00 0.00 175.26 176.21 2k9z n GLY 46 N 0.20 0.23 3.43 -3.83 0.00 -1.26 -2.62 105.19 101.34 2k9z n GLY 46 Ca -0.16 -2.05 -0.21 0.00 0.00 0.00 0.00 46.02 43.61 2k9z n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k9z s LYS 47 N -1.03 1.57 -0.28 1.61 -0.14 -1.26 -4.01 119.74 116.20 2k9z s LYS 47 Ca 0.00 -1.82 -0.26 0.00 -1.36 0.00 0.00 55.97 52.53 2k9z s LYS 47 Cb 0.00 -0.99 0.16 0.00 -1.68 0.00 0.00 37.83 35.32 2k9z s LYS 47 CO 0.00 -0.06 1.26 0.54 -0.76 0.00 0.00 175.35 176.32 2k9z s VAL 48 N -3.16 0.00 -0.40 3.17 0.11 -1.00 -3.14 120.40 115.97 2k9z s VAL 48 Ca 0.32 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.38 2k9z s VAL 48 Cb 0.06 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 34.04 2k9z s VAL 48 CO 0.13 0.00 0.22 -1.61 -3.33 0.00 0.00 175.10 170.50 2k9z s GLU 49 N -0.08 1.05 -0.45 1.54 2.02 -0.06 0.17 118.70 122.90 2k9z s GLU 49 Ca 0.05 -1.74 -0.29 0.00 0.02 0.00 0.00 54.97 53.01 2k9z s GLU 49 Cb -0.04 -2.05 0.02 0.00 0.10 0.00 0.00 34.13 32.16 2k9z s GLU 49 CO -0.10 -1.15 1.22 0.08 0.02 0.00 0.00 175.26 175.32 2k9z s VAL 50 N 0.66 4.13 -0.40 2.63 1.01 0.14 -2.55 120.40 126.02 2k9z s VAL 50 Ca 0.17 1.17 -0.08 0.00 0.00 0.00 0.00 61.98 63.23 2k9z s VAL 50 Cb -0.23 -4.47 0.07 0.00 0.00 0.00 0.00 36.38 31.75 2k9z s VAL 50 CO -0.02 -0.90 0.22 -0.89 0.00 0.00 0.00 175.10 173.52 2k9z s THR 51 N 4.69 4.07 0.73 3.92 2.01 -1.16 0.91 115.64 130.80 2k9z s THR 51 Ca 0.52 -1.38 -0.15 0.00 0.31 0.00 0.00 61.69 60.99 2k9z s THR 51 Cb -0.10 -3.47 0.04 0.00 0.01 0.00 0.00 72.50 68.98 2k9z s THR 51 CO 0.31 -0.45 1.17 0.42 -0.69 0.00 0.00 174.62 175.39 2k9z s THR 52 N 1.40 2.55 0.34 -0.82 -4.23 -0.59 -3.07 115.64 111.24 2k9z s THR 52 Ca 0.02 0.26 0.10 0.00 -1.18 0.00 0.00 61.69 60.89 2k9z s THR 52 Cb -0.22 -2.77 0.33 0.00 1.34 0.00 0.00 72.50 71.17 2k9z s THR 52 CO 0.02 -0.16 1.81 -0.08 -0.54 0.00 0.00 174.62 175.67 2k9z h GLU 53 N -0.35 0.64 -0.67 3.99 4.81 -1.90 0.17 114.58 121.27 2k9z h GLU 53 Ca -0.47 -0.04 0.19 0.00 -0.13 0.00 0.00 59.36 58.92 2k9z h GLU 53 Cb 1.28 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 2k9z h GLU 53 CO 0.50 0.42 0.51 0.22 -0.73 0.00 0.00 179.01 179.93 2k9z h ASP 54 N 0.66 0.00 0.00 1.04 1.82 -1.93 -3.44 116.42 114.56 2k9z h ASP 54 Ca 0.54 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.18 2k9z h ASP 54 Cb 0.97 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.98 2k9z h ASP 54 CO -0.30 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.94 2k9z n GLY 55 N -1.65 0.88 3.61 -0.78 0.00 0.60 -5.08 105.19 102.76 2k9z n GLY 55 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.31 3.91 0.57 1.61 -0.14 -1.24 -4.86 119.74 119.27 2k9z s LYS 56 Ca 0.00 0.62 -0.14 0.00 -1.36 0.00 0.00 55.97 55.09 2k9z s LYS 56 Cb 0.00 -3.76 -0.06 0.00 -1.68 0.00 0.00 37.83 32.33 2k9z s LYS 56 CO 0.00 -0.81 1.01 0.15 -0.76 0.00 0.00 175.35 174.94 2k9z s LYS 57 N 3.22 3.78 -0.36 1.68 1.02 -1.26 -1.54 119.74 126.28 2k9z s LYS 57 Ca 0.36 0.86 0.03 0.00 0.02 0.00 0.00 55.97 57.24 2k9z s LYS 57 Cb -0.13 -2.11 0.15 0.00 -0.52 0.00 0.00 37.83 35.22 2k9z s LYS 57 CO 0.15 -0.42 0.38 0.71 -0.92 0.00 0.00 175.35 175.25 2k9z s TYR 58 N -2.88 -0.41 -0.17 3.18 2.02 0.26 -4.92 117.35 114.43 2k9z s TYR 58 Ca 0.57 -0.63 -0.26 0.00 -0.37 0.00 0.00 57.07 56.39 2k9z s TYR 58 Cb -0.10 -0.37 -0.01 0.00 -0.40 0.00 0.00 41.96 41.07 2k9z s TYR 58 CO 0.42 -0.97 0.85 0.54 -1.57 0.00 0.00 175.55 174.82 2k9z s VAL 59 N 1.64 4.87 0.01 0.71 0.11 -1.26 0.26 120.40 126.73 2k9z s VAL 59 Ca 0.15 1.68 0.05 0.00 -2.93 0.00 0.00 61.98 60.93 2k9z s VAL 59 Cb -0.14 -4.16 -0.03 0.00 -1.53 0.00 0.00 36.38 30.52 2k9z s VAL 59 CO -0.09 0.02 -0.13 0.27 -3.33 0.00 0.00 175.10 171.84 2k9z s ILE 60 N 2.16 3.18 0.12 7.04 -0.00 0.13 -4.98 121.20 128.85 2k9z s ILE 60 Ca 0.39 -0.93 0.03 0.00 -0.00 0.00 0.00 60.65 60.14 2k9z s ILE 60 Cb -0.17 -2.34 -0.01 0.00 -0.00 0.00 0.00 42.46 39.94 2k9z s ILE 60 CO 0.13 0.41 0.10 -0.62 -0.00 0.00 0.00 174.94 174.95 2k9z n GLU 61 N 1.70 0.15 -0.95 0.37 1.02 -1.26 -2.38 120.64 119.29 2k9z n GLU 61 Ca -0.16 -1.18 -0.36 0.00 -0.02 0.00 0.00 57.16 55.44 2k9z n GLU 61 Cb 0.52 0.96 -0.05 0.00 -0.02 0.00 0.00 31.44 32.86 2k9z n GLU 61 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2k9z n LYS 62 N -0.22 1.47 0.00 3.49 2.85 -1.26 -2.98 118.16 121.51 2k9z n LYS 62 Ca 0.03 -1.62 0.00 0.00 -1.05 0.00 0.00 58.31 55.66 2k9z n LYS 62 Cb 0.21 -2.73 0.00 0.00 -0.65 0.00 0.00 35.03 31.86 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 4.35 0.00 2.98 2.58 0.00 -1.24 -4.88 105.19 108.98 2k9z n GLY 63 Ca 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.23 -0.03 1.61 1.01 -1.16 -4.52 116.67 113.35 2k9z s ASP 64 Ca 0.00 -0.03 -0.30 0.00 0.71 0.00 0.00 52.55 52.94 2k9z s ASP 64 Cb 0.00 1.40 -0.03 0.00 1.01 0.00 0.00 42.92 45.31 2k9z s ASP 64 CO 0.00 -0.32 0.97 -0.22 0.21 0.00 0.00 175.17 175.81 2k9z s LEU 65 N 2.63 4.33 0.08 1.23 0.20 0.51 -4.11 118.68 123.56 2k9z s LEU 65 Ca 0.11 1.60 0.09 0.00 0.69 0.00 0.00 54.13 56.63 2k9z s LEU 65 Cb -0.13 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.06 2k9z s LEU 65 CO -0.26 -0.30 -0.22 -0.69 -0.29 0.00 0.00 176.35 174.59 2k9z s VAL 66 N 1.26 2.54 -0.28 1.68 1.01 -0.59 -2.47 120.40 123.54 2k9z s VAL 66 Ca 0.50 -1.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 2k9z s VAL 66 Cb -0.20 -2.09 0.11 0.00 0.00 0.00 0.00 36.38 34.20 2k9z s VAL 66 CO 0.25 0.24 0.20 -0.89 0.00 0.00 0.00 175.10 174.89 2k9z s THR 67 N -0.98 -0.21 0.41 3.92 2.01 -1.11 -0.95 115.64 118.73 2k9z s THR 67 Ca 0.15 -0.59 -0.23 0.00 0.31 0.00 0.00 61.69 61.32 2k9z s THR 67 Cb -0.10 -0.95 -0.09 0.00 0.01 0.00 0.00 72.50 71.37 2k9z s THR 67 CO 0.06 -0.58 1.01 -0.36 -0.69 0.00 0.00 174.62 174.05 2k9z s PHE 68 N 2.21 3.29 0.00 4.92 0.08 -1.26 -3.13 117.98 124.09 2k9z s PHE 68 Ca 0.09 1.64 0.00 0.00 0.12 0.00 0.00 56.93 58.78 2k9z s PHE 68 Cb -0.15 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 2k9z s PHE 68 CO -0.33 -0.42 0.00 -0.35 -0.10 0.00 0.00 175.22 174.03 2k9z n PRO 69 N -0.29 -0.20 -2.60 0.24 -0.04 -1.26 -3.32 135.00 127.53 2k9z n PRO 69 Ca 0.06 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 2k9z n PRO 69 Cb 0.51 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.98 2k9z n PRO 69 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k9z n LYS 70 N -0.92 4.40 0.00 0.54 4.81 -1.26 -3.55 118.16 122.19 2k9z n LYS 70 Ca 0.00 -4.11 0.00 0.00 -0.87 0.00 0.00 58.31 53.33 2k9z n LYS 70 Cb 0.00 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.41 2k9z n LYS 70 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k9z n GLY 71 N 1.59 0.50 3.15 3.14 0.00 -1.12 -4.58 105.19 107.88 2k9z n GLY 71 Ca 0.38 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 1.19 0.01 0.99 2.96 -0.17 -5.00 118.68 118.66 2k9z s LEU 72 Ca 0.00 0.09 0.06 0.00 -0.22 0.00 0.00 54.13 54.06 2k9z s LEU 72 Cb 0.00 0.90 -0.02 0.00 0.50 0.00 0.00 46.19 47.58 2k9z s LEU 72 CO 0.00 -0.31 -0.18 0.00 -1.32 0.00 0.00 176.35 174.55 2k9z s ARG 73 N -0.91 1.32 -0.09 1.98 3.03 -1.26 -1.29 118.95 121.74 2k9z s ARG 73 Ca -0.10 -0.71 -0.32 0.00 2.03 0.00 0.00 55.73 56.63 2k9z s ARG 73 Cb -0.05 -1.32 0.12 0.00 -1.03 0.00 0.00 34.95 32.67 2k9z s ARG 73 CO 0.02 0.35 1.40 0.00 -1.13 0.00 0.00 175.30 175.94 2k9z s ARG 75 N -2.03 3.48 -0.53 0.00 3.00 -1.17 -1.76 118.95 119.95 2k9z s ARG 75 Ca 0.24 -0.38 0.05 0.00 0.00 0.00 0.00 55.73 55.64 2k9z s ARG 75 Cb 0.04 -2.70 0.18 0.00 0.00 0.00 0.00 34.95 32.47 2k9z s ARG 75 CO -0.04 0.20 0.44 0.91 0.00 0.00 0.00 175.30 176.81 2k9z n TRP 76 N -1.66 0.86 -1.64 -0.53 7.02 -0.29 -3.01 117.44 118.20 2k9z n TRP 76 Ca -0.05 -3.73 -0.23 0.00 -1.02 0.00 0.00 57.50 52.46 2k9z n TRP 76 Cb 0.56 -0.16 -0.05 0.00 -2.42 0.00 0.00 31.31 29.24 2k9z n TRP 76 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2k9z s LYS 77 N -0.78 1.90 -1.21 -0.99 2.20 -1.06 -4.06 119.74 115.76 2k9z s LYS 77 Ca 0.31 0.71 -0.15 0.00 -0.36 0.00 0.00 55.97 56.48 2k9z s LYS 77 Cb 0.03 -4.73 -0.05 0.00 -1.51 0.00 0.00 37.83 31.58 2k9z s LYS 77 CO -0.17 -3.88 2.24 0.28 -0.36 0.00 0.00 175.35 173.46 2k9z n VAL 78 N 8.36 2.96 -0.29 4.02 0.31 -1.20 -0.88 118.33 131.61 2k9z n VAL 78 Ca 0.41 -2.32 0.34 0.00 -0.01 0.00 0.00 64.34 62.77 2k9z n VAL 78 Cb 0.48 -2.46 0.74 0.00 -0.91 0.00 0.00 33.84 31.68 2k9z n VAL 78 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2k9z h LEU 79 N 10.47 0.00 -8.19 7.52 3.38 -1.74 -3.35 115.31 123.40 2k9z h LEU 79 Ca 0.56 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.41 2k9z h LEU 79 Cb 0.53 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.15 2k9z h LEU 79 CO 1.84 0.00 -0.42 -1.61 0.09 0.00 0.00 178.44 178.34 2k9z s GLU 80 N -4.89 1.08 -0.97 1.13 2.02 -1.19 -4.90 118.70 110.99 2k9z s GLU 80 Ca -0.05 -1.25 -0.24 0.00 0.02 0.00 0.00 54.97 53.45 2k9z s GLU 80 Cb 0.22 0.33 -0.07 0.00 0.10 0.00 0.00 34.13 34.72 2k9z s GLU 80 CO 0.77 -0.37 1.98 -1.25 0.02 0.00 0.00 175.26 176.41 2k9z s PRO 81 N -3.99 2.45 0.45 0.39 0.04 -1.26 -4.10 135.00 128.98 2k9z s PRO 81 Ca 0.19 -0.45 -0.20 0.00 0.04 0.00 0.00 61.00 60.58 2k9z s PRO 81 Cb 0.05 -5.09 -0.10 0.00 0.04 0.00 0.00 34.50 29.40 2k9z s PRO 81 CO 0.00 -3.64 0.96 0.54 0.04 0.00 0.00 177.00 174.90 2k9z s VAL 82 N 10.76 4.44 -0.42 -0.36 0.11 -1.26 -4.36 120.40 129.31 2k9z s VAL 82 Ca 0.71 1.40 0.09 0.00 -2.93 0.00 0.00 61.98 61.26 2k9z s VAL 82 Cb -0.06 -3.64 0.31 0.00 -1.53 0.00 0.00 36.38 31.46 2k9z s VAL 82 CO 0.03 -0.43 0.68 -1.14 -3.33 0.00 0.00 175.10 170.92 2k9z n ARG 83 N -0.91 1.24 -1.72 1.54 0.63 -1.08 -3.83 116.66 112.54 2k9z n ARG 83 Ca 0.07 -3.58 -0.30 0.00 -0.92 0.00 0.00 57.85 53.12 2k9z n ARG 83 Cb 0.54 -1.63 0.19 0.00 0.45 0.00 0.00 32.46 32.01 2k9z n ARG 83 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2k9z s LYS 84 N -2.11 0.29 -0.35 -0.14 0.00 -1.25 -4.31 119.74 111.87 2k9z s LYS 84 Ca 0.39 -0.28 0.01 0.00 0.00 0.00 0.00 55.97 56.09 2k9z s LYS 84 Cb 0.27 -1.79 0.09 0.00 0.00 0.00 0.00 37.83 36.39 2k9z s LYS 84 CO -0.09 -2.67 0.08 -1.01 0.00 0.00 0.00 175.35 171.66 2k9z s HIS 85 N -3.65 3.57 0.42 1.78 3.76 -0.72 -3.44 115.29 117.01 2k9z s HIS 85 Ca 0.72 -2.54 -0.11 0.00 -0.15 0.00 0.00 55.06 52.98 2k9z s HIS 85 Cb -0.06 -2.79 -0.07 0.00 1.11 0.00 0.00 32.58 30.77 2k9z s HIS 85 CO 0.54 -0.93 0.79 1.52 -0.85 0.00 0.00 174.74 175.81 2k9z s TYR 86 N 1.06 3.47 -0.30 1.40 1.13 -1.18 -2.86 117.35 120.08 2k9z s TYR 86 Ca 0.05 1.09 0.00 0.00 -1.41 0.00 0.00 57.07 56.80 2k9z s TYR 86 Cb -0.21 -2.48 0.19 0.00 -1.10 0.00 0.00 41.96 38.37 2k9z s TYR 86 CO -0.05 -0.13 0.67 1.21 -2.51 0.00 0.00 175.55 174.74 2k9z s ASN 87 N -3.15 -1.34 0.54 -0.18 2.47 -0.91 -3.59 114.94 108.78 2k9z s ASN 87 Ca 0.52 0.45 -0.20 0.00 0.42 0.00 0.00 52.86 54.05 2k9z s ASN 87 Cb -0.10 1.97 -0.06 0.00 -1.45 0.00 0.00 41.25 41.61 2k9z s ASN 87 CO 0.31 -0.25 1.16 -0.76 -3.72 0.00 0.00 177.10 173.85 2k9z s LEU 88 N 2.86 3.77 0.00 3.21 1.43 -1.26 -3.36 118.68 125.33 2k9z s LEU 88 Ca 0.15 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 2k9z s LEU 88 Cb -0.11 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.58 2k9z s LEU 88 CO -0.23 -1.27 0.00 2.22 0.23 0.00 0.00 176.35 177.31