#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 0.00 -2.34 3.17 2.13 -1.26 -5.08 120.64 117.26 2k9z n GLU 2 Ca 0.00 -0.13 -0.01 0.00 0.66 0.00 0.00 57.16 57.68 2k9z n GLU 2 Cb 0.00 -0.09 -0.01 0.00 0.27 0.00 0.00 31.44 31.61 2k9z n GLU 2 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k9z n VAL 3 N 0.00 -6.84 -2.18 6.31 0.31 -1.26 -4.93 118.33 109.74 2k9z n VAL 3 Ca 0.00 1.56 -0.42 0.00 -0.01 0.00 0.00 64.34 65.47 2k9z n VAL 3 Cb 0.52 -3.99 -0.03 0.00 -0.91 0.00 0.00 33.84 29.43 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 -0.31 4.27 -0.03 5.55 2.20 -0.84 -4.94 119.74 125.64 2k9z s LYS 4 Ca -0.04 2.02 0.03 0.00 -0.36 0.00 0.00 55.97 57.63 2k9z s LYS 4 Cb 0.00 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 2k9z s LYS 4 CO 0.10 -0.59 -0.11 0.42 -0.36 0.00 0.00 175.35 174.80 2k9z s ILE 5 N 2.39 0.92 0.32 5.43 1.01 -1.26 -1.19 121.20 128.82 2k9z s ILE 5 Ca 0.65 -0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.69 2k9z s ILE 5 Cb -0.33 -0.81 0.03 0.00 0.01 0.00 0.00 42.46 41.36 2k9z s ILE 5 CO 0.27 0.28 0.71 -1.83 0.00 0.00 0.00 174.94 174.38 2k9z s GLU 6 N 0.14 1.96 -0.68 2.79 -1.05 -1.02 -5.03 118.70 115.81 2k9z s GLU 6 Ca -0.03 -1.24 0.02 0.00 -0.15 0.00 0.00 54.97 53.56 2k9z s GLU 6 Cb -0.09 0.60 0.17 0.00 -0.44 0.00 0.00 34.13 34.36 2k9z s GLU 6 CO 0.01 -0.90 0.48 0.15 0.95 0.00 0.00 175.26 175.95 2k9z s LYS 7 N -3.21 2.53 0.92 -4.83 3.01 -1.26 -0.98 119.74 115.93 2k9z s LYS 7 Ca 0.15 -2.97 -0.11 0.00 -1.01 0.00 0.00 55.97 52.02 2k9z s LYS 7 Cb -0.05 -3.58 0.15 0.00 -1.01 0.00 0.00 37.83 33.34 2k9z s LYS 7 CO 0.10 -1.21 1.10 -1.25 0.51 0.00 0.00 175.35 174.59 2k9z s PRO 8 N -0.84 1.00 0.40 -1.68 0.04 -1.26 -4.98 135.00 127.67 2k9z s PRO 8 Ca 0.22 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.12 2k9z s PRO 8 Cb -0.14 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 2k9z s PRO 8 CO -0.09 -2.51 1.27 -0.08 0.04 0.00 0.00 177.00 175.64 2k9z s THR 9 N -2.76 2.75 -0.37 1.26 -1.32 -1.26 -4.93 115.64 109.02 2k9z s THR 9 Ca 0.65 0.67 0.27 0.00 -1.21 0.00 0.00 61.69 62.07 2k9z s THR 9 Cb -0.21 -3.40 0.30 0.00 -1.51 0.00 0.00 72.50 67.69 2k9z s THR 9 CO 0.58 0.10 1.79 1.55 -2.21 0.00 0.00 174.62 176.43 2k9z h PRO 10 N 2.74 0.00 0.19 7.08 0.13 -2.00 -3.02 132.00 137.13 2k9z h PRO 10 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k9z h PRO 10 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2k9z h PRO 10 CO 0.63 0.00 -0.38 0.93 -0.23 0.00 0.00 178.00 178.95 2k9z h GLU 11 N 0.00 -0.59 -0.89 0.86 5.08 -2.01 -2.52 114.58 114.51 2k9z h GLU 11 Ca 0.00 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.55 2k9z h GLU 11 Cb 0.52 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 2k9z h GLU 11 CO 0.00 -0.39 0.58 -0.22 -1.00 0.00 0.00 179.01 177.97 2k9z h LYS 12 N -0.61 0.65 -0.49 2.33 1.63 -1.93 -0.09 116.57 118.05 2k9z h LYS 12 Ca -0.02 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.67 2k9z h LYS 12 Cb 0.58 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 2k9z h LYS 12 CO -0.15 0.43 0.01 -0.07 -3.45 0.00 0.00 179.45 176.22 2k9z h LEU 13 N 0.67 0.78 -0.10 5.20 -0.00 -1.54 -0.90 115.31 119.42 2k9z h LEU 13 Ca 0.45 -0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 58.13 2k9z h LEU 13 Cb 0.76 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2k9z h LEU 13 CO -0.21 0.84 0.01 0.11 -0.00 0.00 0.00 178.44 179.19 2k9z h LYS 14 N 0.76 0.17 -0.39 1.13 6.56 -0.58 -3.19 116.57 121.02 2k9z h LYS 14 Ca 0.15 -0.05 0.07 0.00 -1.06 0.00 0.00 60.65 59.76 2k9z h LYS 14 Cb 0.45 -0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 32.02 2k9z h LYS 14 CO 0.02 0.39 -0.03 0.93 -2.06 0.00 0.00 179.45 178.71 2k9z h GLU 15 N -0.08 0.07 0.00 3.15 5.08 -1.17 -1.05 114.58 120.59 2k9z h GLU 15 Ca 0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2k9z h GLU 15 Cb 0.31 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2k9z h GLU 15 CO 0.00 0.05 0.30 -0.07 -1.00 0.00 0.00 179.01 178.29 2k9z h LEU 16 N 0.08 0.00 1.92 1.33 4.07 -1.16 -3.45 115.31 118.11 2k9z h LEU 16 Ca 0.19 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.86 2k9z h LEU 16 Cb 0.28 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 2k9z h LEU 16 CO -0.34 0.00 -0.38 -1.20 -1.08 0.00 0.00 178.44 175.44 2k9z n SER 17 N -2.17 -4.48 0.02 -0.43 7.64 -0.40 -4.91 113.62 108.89 2k9z n SER 17 Ca -0.01 -0.03 0.19 0.00 1.01 0.00 0.00 58.87 60.03 2k9z n SER 17 Cb 0.33 -3.60 0.68 0.00 -1.01 0.00 0.00 64.21 60.60 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 -0.10 0.76 -0.40 0.44 2.07 -1.77 0.54 116.25 117.78 2k9z h VAL 18 Ca -0.35 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.28 2k9z h VAL 18 Cb 1.26 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2k9z h VAL 18 CO 0.41 0.00 0.34 1.05 0.02 0.00 0.00 177.57 179.39 2k9z h GLU 19 N 0.02 0.00 0.00 1.57 4.11 -1.91 -2.16 114.58 116.21 2k9z h GLU 19 Ca 0.23 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.56 2k9z h GLU 19 Cb 0.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2k9z h GLU 19 CO -0.01 0.00 -1.15 0.87 0.07 0.00 0.00 179.01 178.79 2k9z h LYS 20 N 0.00 0.00 -7.22 1.06 1.57 -1.27 -3.48 116.57 107.23 2k9z h LYS 20 Ca 0.19 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.44 2k9z h LYS 20 Cb 0.86 0.00 0.18 0.00 0.08 0.00 0.00 32.23 33.35 2k9z h LYS 20 CO -0.00 0.20 0.32 -1.58 -0.57 0.00 0.00 179.45 177.81 2k9z s TRP 21 N -3.09 1.83 -0.08 -1.35 0.52 -0.82 -4.89 118.94 111.06 2k9z s TRP 21 Ca -0.01 1.69 -0.30 0.00 0.02 0.00 0.00 56.10 57.50 2k9z s TRP 21 Cb 0.09 -3.42 -0.04 0.00 -1.15 0.00 0.00 33.47 28.94 2k9z s TRP 21 CO 0.79 -2.75 1.43 -1.25 0.02 0.00 0.00 176.95 175.19 2k9z s PRO 22 N -4.27 4.23 0.51 4.98 0.04 -1.26 -4.93 135.00 134.30 2k9z s PRO 22 Ca 0.71 1.92 -0.23 0.00 0.04 0.00 0.00 61.00 63.44 2k9z s PRO 22 Cb -0.27 -3.79 -0.06 0.00 0.04 0.00 0.00 34.50 30.43 2k9z s PRO 22 CO 0.52 -0.71 1.33 0.42 0.04 0.00 0.00 177.00 178.60 2k9z s ILE 23 N 3.36 2.28 0.01 0.56 1.01 -1.26 -3.83 121.20 123.33 2k9z s ILE 23 Ca 0.63 0.22 -0.03 0.00 0.00 0.00 0.00 60.65 61.48 2k9z s ILE 23 Cb -0.28 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 2k9z s ILE 23 CO 0.23 0.01 0.04 0.86 0.00 0.00 0.00 174.94 176.07 2k9z s TRP 24 N -1.32 0.14 0.18 3.97 -0.00 -0.94 -4.96 118.94 116.00 2k9z s TRP 24 Ca 0.68 -0.29 -0.01 0.00 -0.00 0.00 0.00 56.10 56.47 2k9z s TRP 24 Cb -0.39 -0.11 -0.04 0.00 -0.00 0.00 0.00 33.47 32.93 2k9z s TRP 24 CO 0.47 -0.20 0.11 -1.83 -0.00 0.00 0.00 176.95 175.50 2k9z s GLU 25 N -1.21 1.11 0.08 5.86 -1.05 -1.26 -1.44 118.70 120.79 2k9z s GLU 25 Ca -0.13 -1.56 -0.11 0.00 -0.15 0.00 0.00 54.97 53.02 2k9z s GLU 25 Cb -0.08 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 33.89 2k9z s GLU 25 CO 0.00 -0.35 0.26 0.21 0.95 0.00 0.00 175.26 176.33 2k9z s LYS 26 N -4.12 0.87 1.24 -4.83 2.36 -1.22 -5.04 119.74 109.00 2k9z s LYS 26 Ca 0.34 -0.77 -0.16 0.00 -2.55 0.00 0.00 55.97 52.82 2k9z s LYS 26 Cb 0.07 0.36 0.28 0.00 -1.05 0.00 0.00 37.83 37.50 2k9z s LYS 26 CO 0.08 -0.29 0.77 -1.91 1.55 0.00 0.00 175.35 175.56 2k9z n GLU 27 N 0.13 -2.97 -1.32 4.03 4.07 -1.26 -3.78 120.64 119.54 2k9z n GLU 27 Ca -0.16 -0.85 -0.38 0.00 -0.06 0.00 0.00 57.16 55.70 2k9z n GLU 27 Cb 0.62 -1.99 -0.02 0.00 -0.06 0.00 0.00 31.44 29.98 2k9z n GLU 27 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2k9z n VAL 28 N -5.11 3.12 -3.73 6.31 3.14 -1.26 -4.71 118.33 116.09 2k9z n VAL 28 Ca 0.04 -2.31 -0.11 0.00 -2.96 0.00 0.00 64.34 59.00 2k9z n VAL 28 Cb 0.56 -2.46 -0.07 0.00 -1.06 0.00 0.00 33.84 30.81 2k9z n VAL 28 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2k9z s SER 29 N 3.39 -0.15 0.76 6.55 0.15 -1.26 -5.03 113.70 118.12 2k9z s SER 29 Ca 0.54 -0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.84 2k9z s SER 29 Cb 0.14 0.39 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 2k9z s SER 29 CO -0.03 -0.68 1.11 -1.83 1.20 0.00 0.00 173.24 173.01 2k9z s GLU 30 N -2.91 2.42 0.10 5.44 -1.05 -1.26 -4.17 118.70 117.26 2k9z s GLU 30 Ca -0.02 0.47 -0.06 0.00 -0.15 0.00 0.00 54.97 55.21 2k9z s GLU 30 Cb 0.00 -1.97 0.02 0.00 -0.44 0.00 0.00 34.13 31.74 2k9z s GLU 30 CO -0.06 -1.35 0.29 1.97 0.95 0.00 0.00 175.26 177.07 2k9z n PHE 31 N -3.22 -1.18 -4.81 4.83 -1.74 -1.03 -5.01 117.46 105.29 2k9z n PHE 31 Ca 0.07 -0.52 -0.25 0.00 -0.56 0.00 0.00 57.45 56.20 2k9z n PHE 31 Cb 0.57 0.26 -0.15 0.00 1.52 0.00 0.00 39.48 41.68 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 -1.72 2.04 -0.05 5.98 -4.77 -1.26 -0.58 116.67 116.31 2k9z s ASP 32 Ca 0.06 -0.32 0.04 0.00 -3.30 0.00 0.00 52.55 49.02 2k9z s ASP 32 Cb -0.01 -0.22 -0.03 0.00 -1.09 0.00 0.00 42.92 41.57 2k9z s ASP 32 CO 0.03 0.21 -0.14 0.86 0.70 0.00 0.00 175.17 176.83 2k9z s TRP 33 N -0.43 2.72 -0.34 2.11 -0.11 0.06 -4.91 118.94 118.03 2k9z s TRP 33 Ca 0.07 -0.14 -0.09 0.00 1.22 0.00 0.00 56.10 57.15 2k9z s TRP 33 Cb -0.07 -1.63 0.02 0.00 -1.50 0.00 0.00 33.47 30.30 2k9z s TRP 33 CO -0.01 0.21 0.15 -0.47 -4.62 0.00 0.00 176.95 172.21 2k9z s TYR 34 N -0.75 3.22 -0.24 5.86 6.14 -1.26 -2.08 117.35 128.23 2k9z s TYR 34 Ca 0.12 -1.01 -0.24 0.00 0.64 0.00 0.00 57.07 56.58 2k9z s TYR 34 Cb -0.11 -2.35 -0.01 0.00 0.42 0.00 0.00 41.96 39.91 2k9z s TYR 34 CO 0.01 -0.62 0.82 0.71 0.64 0.00 0.00 175.55 177.11 2k9z s TYR 35 N 1.52 3.31 0.00 4.97 2.02 0.03 -4.94 117.35 124.27 2k9z s TYR 35 Ca 0.02 1.13 0.00 0.00 -0.37 0.00 0.00 57.07 57.84 2k9z s TYR 35 Cb -0.19 -3.05 0.00 0.00 -0.40 0.00 0.00 41.96 38.33 2k9z s TYR 35 CO 0.05 -0.40 0.20 -0.40 -1.57 0.00 0.00 175.55 173.43 2k9z n ASP 36 N 6.00 0.41 -3.71 2.29 5.75 -1.26 -0.85 116.55 125.17 2k9z n ASP 36 Ca 0.05 -0.70 -0.16 0.00 -0.01 0.00 0.00 54.79 53.98 2k9z n ASP 36 Cb 0.48 0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 41.00 2k9z n ASP 36 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2k9z s THR 37 N -0.52 0.00 0.12 2.12 -4.23 -1.26 -4.26 115.64 107.60 2k9z s THR 37 Ca 0.00 -1.94 -0.31 0.00 -1.18 0.00 0.00 61.69 58.25 2k9z s THR 37 Cb 0.00 -2.50 -0.08 0.00 1.34 0.00 0.00 72.50 71.26 2k9z s THR 37 CO 0.00 0.00 1.45 0.20 -0.54 0.00 0.00 174.62 175.73 2k9z s ASN 38 N -3.26 6.76 -0.22 3.99 0.01 -1.26 -3.71 114.94 117.24 2k9z s ASN 38 Ca 0.39 2.39 -0.03 0.00 -0.71 0.00 0.00 52.86 54.89 2k9z s ASN 38 Cb 0.04 -2.58 0.07 0.00 0.41 0.00 0.00 41.25 39.19 2k9z s ASN 38 CO 0.20 -0.71 0.06 -0.70 -1.51 0.00 0.00 177.10 174.44 2k9z s GLU 39 N 1.30 0.54 0.33 -0.60 2.12 -1.12 -0.55 118.70 120.72 2k9z s GLU 39 Ca 0.66 -0.50 -0.27 0.00 0.36 0.00 0.00 54.97 55.23 2k9z s GLU 39 Cb -0.38 -1.95 -0.09 0.00 0.26 0.00 0.00 34.13 31.97 2k9z s GLU 39 CO 0.30 -0.75 1.05 0.99 -0.54 0.00 0.00 175.26 176.32 2k9z s THR 40 N 1.88 3.71 0.02 -1.70 2.01 -0.81 -0.78 115.64 119.96 2k9z s THR 40 Ca 0.02 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.54 2k9z s THR 40 Cb -0.17 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 2k9z s THR 40 CO -0.14 0.21 -0.04 0.00 -0.69 0.00 0.00 174.62 173.95 2k9z s TYR 42 N -0.94 3.15 0.03 0.00 5.04 0.15 -1.44 117.35 123.34 2k9z s TYR 42 Ca -0.09 -1.89 -0.30 0.00 -2.44 0.00 0.00 57.07 52.35 2k9z s TYR 42 Cb -0.07 -2.02 -0.04 0.00 0.35 0.00 0.00 41.96 40.19 2k9z s TYR 42 CO -0.00 -0.81 0.96 0.42 -1.34 0.00 0.00 175.55 174.79 2k9z s ILE 43 N 1.23 4.76 -0.04 3.14 -1.09 -1.24 -1.05 121.20 126.91 2k9z s ILE 43 Ca -0.04 2.04 0.06 0.00 -2.23 0.00 0.00 60.65 60.48 2k9z s ILE 43 Cb -0.18 -4.31 -0.08 0.00 -1.58 0.00 0.00 42.46 36.30 2k9z s ILE 43 CO -0.05 0.21 0.06 0.18 -1.23 0.00 0.00 174.94 174.12 2k9z n LEU 44 N 3.54 0.00 -3.52 2.97 4.32 -1.04 -3.18 117.00 120.08 2k9z n LEU 44 Ca 0.05 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.90 2k9z n LEU 44 Cb 0.50 0.10 -0.05 0.00 -1.62 0.00 0.00 43.42 42.36 2k9z n LEU 44 CO 0.52 0.10 0.56 -1.83 -1.22 0.00 0.00 177.39 175.52 2k9z s GLU 45 N -2.25 0.92 0.00 3.23 -1.05 -1.20 -4.70 118.70 113.65 2k9z s GLU 45 Ca -0.03 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 2k9z s GLU 45 Cb 0.03 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 2k9z s GLU 45 CO 0.26 -0.32 0.00 0.41 0.95 0.00 0.00 175.26 176.56 2k9z n GLY 46 N 0.57 -2.04 3.00 -3.83 0.00 -1.26 -1.81 105.19 99.82 2k9z n GLY 46 Ca -0.15 -2.19 -0.15 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.73 0.49 -0.02 1.61 2.36 -1.23 -4.11 119.74 118.12 2k9z s LYS 47 Ca 0.00 -0.37 0.02 0.00 -2.55 0.00 0.00 55.97 53.07 2k9z s LYS 47 Cb 0.00 -0.42 0.00 0.00 -1.05 0.00 0.00 37.83 36.36 2k9z s LYS 47 CO 0.00 0.11 -0.07 0.54 1.55 0.00 0.00 175.35 177.47 2k9z s VAL 48 N -0.50 0.61 -0.21 4.02 0.11 -0.43 -1.44 120.40 122.57 2k9z s VAL 48 Ca -0.01 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.76 2k9z s VAL 48 Cb -0.05 -0.55 0.05 0.00 -1.53 0.00 0.00 36.38 34.31 2k9z s VAL 48 CO 0.00 0.19 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.28 2k9z s GLU 49 N 0.12 1.78 0.02 1.54 2.02 -0.58 -0.53 118.70 123.08 2k9z s GLU 49 Ca -0.01 -0.87 -0.16 0.00 0.02 0.00 0.00 54.97 53.94 2k9z s GLU 49 Cb -0.06 -2.44 -0.06 0.00 0.10 0.00 0.00 34.13 31.66 2k9z s GLU 49 CO -0.00 -0.50 0.46 0.08 0.02 0.00 0.00 175.26 175.32 2k9z s VAL 50 N 1.42 4.94 -0.12 2.63 1.01 -0.08 -0.23 120.40 129.97 2k9z s VAL 50 Ca -0.03 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 62.89 2k9z s VAL 50 Cb -0.17 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2k9z s VAL 50 CO -0.07 0.56 0.03 -0.89 0.00 0.00 0.00 175.10 174.73 2k9z s THR 51 N -1.02 0.31 1.16 3.92 2.01 -0.98 -0.05 115.64 120.99 2k9z s THR 51 Ca 0.25 -0.10 -0.19 0.00 0.31 0.00 0.00 61.69 61.97 2k9z s THR 51 Cb -0.17 -0.66 0.27 0.00 0.01 0.00 0.00 72.50 71.95 2k9z s THR 51 CO 0.15 0.03 1.16 0.42 -0.69 0.00 0.00 174.62 175.70 2k9z s THR 52 N 1.98 1.67 0.43 -0.82 -4.23 -1.16 -1.29 115.64 112.22 2k9z s THR 52 Ca 0.03 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.69 2k9z s THR 52 Cb -0.14 -2.61 0.35 0.00 1.34 0.00 0.00 72.50 71.44 2k9z s THR 52 CO -0.06 0.00 1.93 1.05 -0.54 0.00 0.00 174.62 176.99 2k9z h GLU 53 N -2.42 0.40 0.00 3.99 4.11 -1.94 -2.79 114.58 115.95 2k9z h GLU 53 Ca -0.44 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2k9z h GLU 53 Cb 1.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k9z h GLU 53 CO 0.33 0.27 0.00 -3.47 0.07 0.00 0.00 179.01 176.20 2k9z n ASP 54 N -4.48 0.00 0.00 3.06 -0.08 -1.26 -4.90 116.55 108.90 2k9z n ASP 54 Ca 0.14 -1.10 0.00 0.00 -1.51 0.00 0.00 54.79 52.32 2k9z n ASP 54 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 2k9z n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k9z n GLY 55 N 0.89 0.42 3.61 0.27 0.00 -1.05 -4.95 105.19 104.37 2k9z n GLY 55 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.67 3.44 0.54 1.61 -0.14 -1.26 -4.90 119.74 118.36 2k9z s LYS 56 Ca 0.00 1.75 -0.19 0.00 -1.36 0.00 0.00 55.97 56.17 2k9z s LYS 56 Cb 0.00 -4.21 -0.06 0.00 -1.68 0.00 0.00 37.83 31.88 2k9z s LYS 56 CO 0.00 -1.74 1.12 0.15 -0.76 0.00 0.00 175.35 174.12 2k9z s LYS 57 N 5.56 3.39 -0.08 1.68 3.01 -1.26 -2.97 119.74 129.07 2k9z s LYS 57 Ca 0.85 1.57 -0.02 0.00 -1.01 0.00 0.00 55.97 57.36 2k9z s LYS 57 Cb -0.28 -2.01 0.03 0.00 -1.01 0.00 0.00 37.83 34.56 2k9z s LYS 57 CO 0.34 -0.81 0.01 0.71 0.51 0.00 0.00 175.35 176.11 2k9z s TYR 58 N -1.82 0.63 -0.06 3.18 1.51 0.92 -4.98 117.35 116.74 2k9z s TYR 58 Ca 0.72 -0.19 -0.21 0.00 -1.01 0.00 0.00 57.07 56.38 2k9z s TYR 58 Cb -0.23 -0.79 -0.05 0.00 -0.11 0.00 0.00 41.96 40.79 2k9z s TYR 58 CO 0.27 -0.35 0.59 0.08 -1.11 0.00 0.00 175.55 175.02 2k9z s VAL 59 N 1.99 5.04 -0.03 0.71 1.01 -1.26 -0.90 120.40 126.95 2k9z s VAL 59 Ca 0.04 1.20 0.05 0.00 0.00 0.00 0.00 61.98 63.27 2k9z s VAL 59 Cb -0.13 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 2k9z s VAL 59 CO -0.05 0.34 -0.17 0.27 0.00 0.00 0.00 175.10 175.49 2k9z s ILE 60 N 0.33 1.40 0.32 2.22 -0.00 0.31 -4.98 121.20 120.80 2k9z s ILE 60 Ca 0.31 -0.72 0.07 0.00 -0.00 0.00 0.00 60.65 60.31 2k9z s ILE 60 Cb -0.17 -1.19 -0.03 0.00 -0.00 0.00 0.00 42.46 41.07 2k9z s ILE 60 CO 0.15 0.40 0.25 -1.84 -0.00 0.00 0.00 174.94 173.90 2k9z n GLU 61 N 2.97 0.40 -1.56 0.37 0.28 -1.26 -1.31 120.64 120.54 2k9z n GLU 61 Ca -0.17 -3.10 -0.13 0.00 -0.16 0.00 0.00 57.16 53.59 2k9z n GLU 61 Cb 0.53 2.45 -0.11 0.00 1.43 0.00 0.00 31.44 35.74 2k9z n GLU 61 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2k9z n LYS 62 N -0.62 0.14 0.00 3.44 0.00 -1.26 -1.86 118.16 118.00 2k9z n LYS 62 Ca 0.06 -1.55 0.00 0.00 -0.00 0.00 0.00 58.31 56.82 2k9z n LYS 62 Cb 0.56 -3.83 0.00 0.00 -0.00 0.00 0.00 35.03 31.76 2k9z n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k9z n GLY 63 N 6.17 -0.54 3.60 2.58 0.00 -1.19 -4.95 105.19 110.85 2k9z n GLY 63 Ca 0.41 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.25 5.06 0.20 1.61 1.01 -0.78 -4.69 116.67 118.83 2k9z s ASP 64 Ca 0.00 0.02 -0.02 0.00 0.71 0.00 0.00 52.55 53.26 2k9z s ASP 64 Cb 0.00 -1.62 -0.05 0.00 1.01 0.00 0.00 42.92 42.27 2k9z s ASP 64 CO 0.00 0.27 0.41 -0.22 0.21 0.00 0.00 175.17 175.84 2k9z s LEU 65 N -0.25 4.21 0.06 1.23 0.20 -0.15 -3.58 118.68 120.40 2k9z s LEU 65 Ca 0.05 0.47 0.04 0.00 0.69 0.00 0.00 54.13 55.38 2k9z s LEU 65 Cb -0.12 -3.24 -0.03 0.00 -0.43 0.00 0.00 46.19 42.37 2k9z s LEU 65 CO 0.02 -0.04 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.24 2k9z s VAL 66 N -1.85 0.82 -0.09 1.68 1.01 -0.52 -2.44 120.40 119.01 2k9z s VAL 66 Ca 0.40 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2k9z s VAL 66 Cb -0.11 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.44 2k9z s VAL 66 CO 0.28 -0.32 -0.03 -0.89 0.00 0.00 0.00 175.10 174.15 2k9z s THR 67 N -1.38 0.60 0.49 3.92 2.01 -0.34 -1.11 115.64 119.84 2k9z s THR 67 Ca -0.06 -0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.80 2k9z s THR 67 Cb -0.10 -0.71 -0.06 0.00 0.01 0.00 0.00 72.50 71.64 2k9z s THR 67 CO 0.01 0.30 0.89 -0.36 -0.69 0.00 0.00 174.62 174.77 2k9z s PHE 68 N 1.86 3.51 0.83 4.92 0.08 0.04 -1.99 117.98 127.23 2k9z s PHE 68 Ca 0.05 1.18 -0.10 0.00 0.12 0.00 0.00 56.93 58.18 2k9z s PHE 68 Cb -0.12 -2.58 0.14 0.00 -0.57 0.00 0.00 43.02 39.88 2k9z s PHE 68 CO -0.06 -0.33 1.16 -1.25 -0.10 0.00 0.00 175.22 174.64 2k9z s PRO 69 N -4.33 1.39 -0.66 0.24 0.04 -1.26 -2.81 135.00 127.61 2k9z s PRO 69 Ca 0.54 -0.47 -0.27 0.00 0.04 0.00 0.00 61.00 60.83 2k9z s PRO 69 Cb -0.10 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.41 2k9z s PRO 69 CO 0.38 -1.83 1.36 0.21 0.04 0.00 0.00 177.00 177.16 2k9z s LYS 70 N -5.54 3.21 0.00 4.56 2.20 -1.24 -4.27 119.74 118.66 2k9z s LYS 70 Ca 0.68 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 2k9z s LYS 70 Cb -0.07 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 2k9z s LYS 70 CO 0.49 -2.09 0.00 0.41 -0.36 0.00 0.00 175.35 173.80 2k9z n GLY 71 N 5.33 0.65 3.08 5.54 0.00 -0.46 -4.88 105.19 114.45 2k9z n GLY 71 Ca 0.08 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 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 2.11 -0.00 0.99 2.96 -0.03 -5.00 118.68 119.70 2k9z s LEU 72 Ca 0.00 -0.68 0.02 0.00 -0.22 0.00 0.00 54.13 53.26 2k9z s LEU 72 Cb 0.00 0.37 -0.01 0.00 0.50 0.00 0.00 46.19 47.05 2k9z s LEU 72 CO 0.00 -0.49 -0.07 0.00 -1.32 0.00 0.00 176.35 174.47 2k9z s ARG 73 N -2.78 0.55 -0.02 1.98 3.03 -1.26 -0.78 118.95 119.66 2k9z s ARG 73 Ca -0.04 -0.27 -0.30 0.00 2.03 0.00 0.00 55.73 57.16 2k9z s ARG 73 Cb -0.00 -0.52 0.11 0.00 -1.03 0.00 0.00 34.95 33.50 2k9z s ARG 73 CO -0.06 0.14 0.96 0.00 -1.13 0.00 0.00 175.30 175.22 2k9z s ARG 75 N -3.00 2.17 -0.04 0.00 3.00 -0.41 -0.76 118.95 119.92 2k9z s ARG 75 Ca 0.07 1.25 0.06 0.00 0.00 0.00 0.00 55.73 57.10 2k9z s ARG 75 Cb -0.01 -1.88 -0.01 0.00 0.00 0.00 0.00 34.95 33.05 2k9z s ARG 75 CO -0.07 -1.72 -0.21 -1.58 0.00 0.00 0.00 175.30 171.72 2k9z s TRP 76 N -2.80 1.98 -0.39 -0.53 0.52 0.25 -2.32 118.94 115.65 2k9z s TRP 76 Ca 0.63 -0.51 0.03 0.00 0.02 0.00 0.00 56.10 56.27 2k9z s TRP 76 Cb -0.18 -1.30 0.11 0.00 -1.15 0.00 0.00 33.47 30.94 2k9z s TRP 76 CO 0.54 -0.14 0.11 0.21 0.02 0.00 0.00 176.95 177.70 2k9z s LYS 77 N -0.19 1.64 -0.74 4.98 2.20 0.68 -2.48 119.74 125.83 2k9z s LYS 77 Ca 0.00 -2.06 -0.26 0.00 -0.36 0.00 0.00 55.97 53.29 2k9z s LYS 77 Cb -0.11 -3.27 -0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2k9z s LYS 77 CO 0.02 -0.99 1.66 0.08 -0.36 0.00 0.00 175.35 175.75 2k9z s VAL 78 N 0.62 3.54 0.25 4.02 1.01 -1.26 -1.52 120.40 127.06 2k9z s VAL 78 Ca 0.12 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.24 2k9z s VAL 78 Cb -0.21 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 2k9z s VAL 78 CO -0.06 -1.31 1.58 -0.07 0.00 0.00 0.00 175.10 175.24 2k9z h LEU 79 N 15.26 0.12 -7.71 3.92 3.38 -1.62 -3.35 115.31 125.32 2k9z h LEU 79 Ca -0.15 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.57 2k9z h LEU 79 Cb 1.09 -0.03 -0.24 0.00 0.09 0.00 0.00 40.66 41.56 2k9z h LEU 79 CO 1.26 0.71 -0.57 -1.61 0.09 0.00 0.00 178.44 178.32 2k9z s GLU 80 N -3.64 0.26 -0.58 1.13 2.02 -1.08 -4.93 118.70 111.88 2k9z s GLU 80 Ca -0.02 -0.12 -0.26 0.00 0.02 0.00 0.00 54.97 54.59 2k9z s GLU 80 Cb 0.12 0.11 -0.06 0.00 0.10 0.00 0.00 34.13 34.40 2k9z s GLU 80 CO 0.78 -0.05 2.26 -1.25 0.02 0.00 0.00 175.26 177.02 2k9z s PRO 81 N -0.58 2.18 0.68 0.39 0.04 -1.26 -3.49 135.00 132.95 2k9z s PRO 81 Ca -0.07 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 2k9z s PRO 81 Cb -0.04 -4.59 0.00 0.00 0.04 0.00 0.00 34.50 29.91 2k9z s PRO 81 CO 0.00 -3.30 1.06 0.54 0.04 0.00 0.00 177.00 175.35 2k9z s VAL 82 N 11.69 3.90 -0.05 -0.36 0.11 -1.25 -4.50 120.40 129.95 2k9z s VAL 82 Ca 0.88 0.69 -0.02 0.00 -2.93 0.00 0.00 61.98 60.61 2k9z s VAL 82 Cb -0.15 -3.35 0.03 0.00 -1.53 0.00 0.00 36.38 31.38 2k9z s VAL 82 CO 0.21 -0.74 0.05 -0.60 -3.33 0.00 0.00 175.10 170.69 2k9z s ARG 83 N -4.78 0.07 0.10 1.54 3.52 -0.75 -3.43 118.95 115.23 2k9z s ARG 83 Ca 0.60 0.31 0.05 0.00 -0.13 0.00 0.00 55.73 56.56 2k9z s ARG 83 Cb -0.15 -0.60 -0.04 0.00 -1.56 0.00 0.00 34.95 32.61 2k9z s ARG 83 CO 0.50 -0.32 -0.12 -1.59 -0.81 0.00 0.00 175.30 172.97 2k9z s LYS 84 N 2.07 0.90 -0.56 5.12 0.00 -0.52 -2.50 119.74 124.26 2k9z s LYS 84 Ca 0.04 -1.16 -0.19 0.00 0.00 0.00 0.00 55.97 54.67 2k9z s LYS 84 Cb -0.12 -0.71 0.08 0.00 0.00 0.00 0.00 37.83 37.08 2k9z s LYS 84 CO -0.03 0.13 0.69 -1.01 0.00 0.00 0.00 175.35 175.12 2k9z s HIS 85 N -2.16 3.00 0.41 1.78 3.76 -0.21 -2.22 115.29 119.65 2k9z s HIS 85 Ca 0.05 -0.76 -0.06 0.00 -0.15 0.00 0.00 55.06 54.14 2k9z s HIS 85 Cb -0.05 -3.84 -0.05 0.00 1.11 0.00 0.00 32.58 29.75 2k9z s HIS 85 CO 0.01 -1.21 0.71 1.52 -0.85 0.00 0.00 174.74 174.93 2k9z s TYR 86 N 2.76 3.51 -0.23 1.40 1.13 -1.25 -0.67 117.35 124.00 2k9z s TYR 86 Ca 0.14 0.80 -0.09 0.00 -1.41 0.00 0.00 57.07 56.51 2k9z s TYR 86 Cb -0.22 -2.26 0.09 0.00 -1.10 0.00 0.00 41.96 38.47 2k9z s TYR 86 CO 0.09 -0.10 0.49 1.21 -2.51 0.00 0.00 175.55 174.73 2k9z s ASN 87 N -3.65 -0.56 0.71 -0.18 2.47 0.47 -4.02 114.94 110.18 2k9z s ASN 87 Ca 0.47 1.16 -0.13 0.00 0.42 0.00 0.00 52.86 54.78 2k9z s ASN 87 Cb -0.10 1.50 0.03 0.00 -1.45 0.00 0.00 41.25 41.23 2k9z s ASN 87 CO 0.37 -0.22 1.10 -0.76 -3.72 0.00 0.00 177.10 173.87 2k9z s LEU 88 N 2.44 3.21 0.00 3.21 1.43 -1.26 -1.93 118.68 125.78 2k9z s LEU 88 Ca -0.04 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 2k9z s LEU 88 Cb -0.11 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.57 2k9z s LEU 88 CO -0.15 -1.83 0.00 2.22 0.23 0.00 0.00 176.35 176.82