#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 1.19 0.38 2.12 2.12 -1.26 -5.04 118.70 118.22 2k9z s GLU 2 Ca 0.00 -0.56 -0.28 0.00 0.36 0.00 0.00 54.97 54.49 2k9z s GLU 2 Cb 0.00 0.47 -0.11 0.00 0.26 0.00 0.00 34.13 34.75 2k9z s GLU 2 CO 0.00 -0.54 1.44 0.28 -0.54 0.00 0.00 175.26 175.90 2k9z n VAL 3 N -0.38 2.13 -3.71 3.70 0.31 -1.26 -3.99 118.33 115.14 2k9z n VAL 3 Ca -0.09 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.45 2k9z n VAL 3 Cb 0.62 -1.87 -0.13 0.00 -0.91 0.00 0.00 33.84 31.54 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 -2.12 1.29 0.19 5.55 2.20 -0.13 -5.03 119.74 121.69 2k9z s LYS 4 Ca 0.55 -2.01 -0.19 0.00 -0.36 0.00 0.00 55.97 53.96 2k9z s LYS 4 Cb -0.49 -2.33 -0.08 0.00 -1.51 0.00 0.00 37.83 33.42 2k9z s LYS 4 CO 0.62 -1.16 0.67 0.42 -0.36 0.00 0.00 175.35 175.55 2k9z s ILE 5 N 0.34 4.63 0.35 5.43 1.01 -1.26 -0.64 121.20 131.07 2k9z s ILE 5 Ca 0.18 1.20 -0.03 0.00 0.00 0.00 0.00 60.65 62.00 2k9z s ILE 5 Cb -0.24 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.39 2k9z s ILE 5 CO -0.00 0.27 0.51 -1.83 0.00 0.00 0.00 174.94 173.89 2k9z s GLU 6 N -1.84 1.97 -0.51 2.79 -1.05 -0.29 -5.00 118.70 114.77 2k9z s GLU 6 Ca 0.40 -1.75 0.03 0.00 -0.15 0.00 0.00 54.97 53.50 2k9z s GLU 6 Cb -0.17 0.46 0.15 0.00 -0.44 0.00 0.00 34.13 34.13 2k9z s GLU 6 CO 0.21 -0.83 0.34 -1.59 0.95 0.00 0.00 175.26 174.33 2k9z s LYS 7 N -2.93 1.59 0.76 -4.83 -2.85 -1.26 -0.14 119.74 110.07 2k9z s LYS 7 Ca 0.29 -2.45 -0.11 0.00 -1.00 0.00 0.00 55.97 52.70 2k9z s LYS 7 Cb -0.01 -2.51 0.06 0.00 -2.06 0.00 0.00 37.83 33.31 2k9z s LYS 7 CO 0.20 -1.24 1.12 -1.25 0.10 0.00 0.00 175.35 174.28 2k9z s PRO 8 N -0.27 2.22 0.43 1.78 0.04 -1.26 -5.01 135.00 132.93 2k9z s PRO 8 Ca 0.23 0.10 -0.25 0.00 0.04 0.00 0.00 61.00 61.12 2k9z s PRO 8 Cb -0.13 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 2k9z s PRO 8 CO -0.09 -1.38 1.28 -0.08 0.04 0.00 0.00 177.00 176.77 2k9z s THR 9 N -3.45 2.68 0.09 1.26 -1.32 -1.26 -4.95 115.64 108.69 2k9z s THR 9 Ca 0.61 0.58 0.30 0.00 -1.21 0.00 0.00 61.69 61.97 2k9z s THR 9 Cb -0.11 -3.33 0.34 0.00 -1.51 0.00 0.00 72.50 67.89 2k9z s THR 9 CO 0.49 0.06 1.92 1.55 -2.21 0.00 0.00 174.62 176.43 2k9z h PRO 10 N 2.47 0.00 0.97 7.08 0.13 -1.99 -3.24 132.00 137.41 2k9z h PRO 10 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 2k9z h PRO 10 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 2k9z h PRO 10 CO 0.62 0.07 -0.47 0.93 -0.23 0.00 0.00 178.00 178.91 2k9z h GLU 11 N 0.00 -1.26 -0.10 0.86 4.39 -1.99 0.68 114.58 117.15 2k9z h GLU 11 Ca -0.00 0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.82 2k9z h GLU 11 Cb 0.60 0.29 -0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2k9z h GLU 11 CO 0.01 -0.84 0.08 -0.22 -1.16 0.00 0.00 179.01 176.87 2k9z h LYS 12 N -1.31 0.00 -0.25 2.33 3.64 -1.98 -0.49 116.57 118.52 2k9z h LYS 12 Ca -0.13 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.07 2k9z h LYS 12 Cb 1.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2k9z h LYS 12 CO 0.21 0.00 -0.55 -0.07 -2.27 0.00 0.00 179.45 176.77 2k9z h LEU 13 N 0.00 0.83 0.13 5.20 -0.00 -1.48 -0.63 115.31 119.36 2k9z h LEU 13 Ca 0.05 -0.45 0.01 0.00 -0.00 0.00 0.00 57.88 57.50 2k9z h LEU 13 Cb 0.20 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.60 2k9z h LEU 13 CO -0.00 1.21 -0.21 0.11 -0.00 0.00 0.00 178.44 179.55 2k9z h LYS 14 N 0.57 -0.39 -0.99 1.13 6.56 0.51 -3.17 116.57 120.79 2k9z h LYS 14 Ca 0.01 0.03 0.07 0.00 -1.06 0.00 0.00 60.65 59.70 2k9z h LYS 14 Cb 1.14 0.09 -0.07 0.00 -0.57 0.00 0.00 32.23 32.82 2k9z h LYS 14 CO 0.12 -0.26 0.64 0.93 -2.06 0.00 0.00 179.45 178.82 2k9z h GLU 15 N -0.40 1.12 0.00 3.15 4.39 -0.91 -2.00 114.58 119.93 2k9z h GLU 15 Ca 0.02 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2k9z h GLU 15 Cb 0.41 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2k9z h GLU 15 CO -0.10 0.74 0.04 1.28 -1.16 0.00 0.00 179.01 179.81 2k9z n LEU 16 N -4.50 0.08 -3.66 1.33 4.32 -0.27 -4.85 117.00 109.46 2k9z n LEU 16 Ca 0.15 0.50 -0.24 0.00 -0.02 0.00 0.00 56.01 56.41 2k9z n LEU 16 Cb 0.19 -0.51 0.06 0.00 -1.62 0.00 0.00 43.42 41.54 2k9z n LEU 16 CO 0.32 -0.53 0.13 -1.20 -1.22 0.00 0.00 177.39 174.89 2k9z n SER 17 N -1.58 -4.20 -0.22 -1.43 7.64 -0.75 -4.91 113.62 108.18 2k9z n SER 17 Ca -0.00 -0.66 0.09 0.00 1.01 0.00 0.00 58.87 59.31 2k9z n SER 17 Cb 0.05 -4.61 0.37 0.00 -1.01 0.00 0.00 64.21 59.01 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 -2.25 0.94 0.00 0.44 2.07 -1.78 -1.32 116.25 114.36 2k9z h VAL 18 Ca -0.58 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2k9z h VAL 18 Cb 1.36 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2k9z h VAL 18 CO 0.58 0.13 0.00 -1.84 0.02 0.00 0.00 177.57 176.46 2k9z n GLU 19 N -4.51 0.11 0.00 1.57 0.28 -1.26 -1.18 120.64 115.65 2k9z n GLU 19 Ca 0.13 0.57 0.11 0.00 -0.16 0.00 0.00 57.16 57.81 2k9z n GLU 19 Cb 0.34 -1.83 0.02 0.00 1.43 0.00 0.00 31.44 31.40 2k9z n GLU 19 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2k9z n LYS 20 N -2.05 0.06 -1.42 3.44 5.02 -0.50 -4.94 118.16 117.77 2k9z n LYS 20 Ca -0.01 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 2k9z n LYS 20 Cb 0.05 -1.51 0.10 0.00 -0.02 0.00 0.00 35.03 33.65 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 -3.04 2.70 0.29 2.13 0.52 -0.33 -5.01 118.94 116.20 2k9z s TRP 21 Ca 0.08 1.28 -0.29 0.00 0.02 0.00 0.00 56.10 57.18 2k9z s TRP 21 Cb 0.16 -3.08 -0.10 0.00 -1.15 0.00 0.00 33.47 29.30 2k9z s TRP 21 CO 0.81 -1.86 1.35 -1.25 0.02 0.00 0.00 176.95 176.02 2k9z s PRO 22 N -5.04 4.33 0.57 4.98 0.04 -1.25 -4.92 135.00 133.71 2k9z s PRO 22 Ca 0.61 2.23 -0.17 0.00 0.04 0.00 0.00 61.00 63.70 2k9z s PRO 22 Cb -0.16 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 2k9z s PRO 22 CO 0.55 -0.27 1.08 0.42 0.04 0.00 0.00 177.00 178.82 2k9z s ILE 23 N -0.62 3.54 0.04 0.56 1.01 -1.26 -2.59 121.20 121.87 2k9z s ILE 23 Ca 0.53 0.82 0.01 0.00 0.00 0.00 0.00 60.65 62.02 2k9z s ILE 23 Cb -0.40 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 2k9z s ILE 23 CO 0.48 -0.34 -0.06 0.86 0.00 0.00 0.00 174.94 175.88 2k9z s TRP 24 N -2.19 0.51 0.07 3.97 -0.00 -0.78 -4.91 118.94 115.62 2k9z s TRP 24 Ca 0.67 -0.56 -0.15 0.00 -0.00 0.00 0.00 56.10 56.07 2k9z s TRP 24 Cb -0.19 -0.32 0.02 0.00 -0.00 0.00 0.00 33.47 32.99 2k9z s TRP 24 CO 0.32 -0.14 0.34 -1.83 -0.00 0.00 0.00 176.95 175.63 2k9z s GLU 25 N -1.74 0.90 0.15 5.86 -1.05 -1.26 -2.29 118.70 119.27 2k9z s GLU 25 Ca -0.11 -0.59 -0.16 0.00 -0.15 0.00 0.00 54.97 53.97 2k9z s GLU 25 Cb -0.08 0.39 0.03 0.00 -0.44 0.00 0.00 34.13 34.03 2k9z s GLU 25 CO -0.01 -0.31 0.43 0.21 0.95 0.00 0.00 175.26 176.53 2k9z s LYS 26 N -3.03 1.19 0.67 -4.83 2.47 -1.21 -5.04 119.74 109.96 2k9z s LYS 26 Ca -0.02 -0.81 -0.05 0.00 -1.56 0.00 0.00 55.97 53.54 2k9z s LYS 26 Cb 0.01 0.48 0.14 0.00 -1.46 0.00 0.00 37.83 37.00 2k9z s LYS 26 CO -0.06 -0.48 0.92 -1.91 0.16 0.00 0.00 175.35 173.98 2k9z n GLU 27 N -0.26 -0.34 0.00 4.03 4.07 -1.26 -3.95 120.64 122.93 2k9z n GLU 27 Ca -0.13 -2.08 0.01 0.00 -0.06 0.00 0.00 57.16 54.90 2k9z n GLU 27 Cb 0.63 -0.74 0.05 0.00 -0.06 0.00 0.00 31.44 31.33 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 -2.90 0.00 -2.97 6.31 3.14 -1.26 -4.70 118.33 115.94 2k9z n VAL 28 Ca 0.14 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.11 2k9z n VAL 28 Cb 0.49 -0.35 -0.05 0.00 -1.06 0.00 0.00 33.84 32.88 2k9z n VAL 28 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2k9z s SER 29 N -1.62 6.90 0.49 6.55 1.04 -1.26 -4.66 113.70 121.13 2k9z s SER 29 Ca 0.03 1.09 -0.18 0.00 0.48 0.00 0.00 55.95 57.37 2k9z s SER 29 Cb 0.01 -2.42 -0.09 0.00 0.10 0.00 0.00 66.02 63.62 2k9z s SER 29 CO 0.02 -0.32 0.98 -1.83 0.98 0.00 0.00 173.24 173.07 2k9z s GLU 30 N 1.85 3.99 0.03 4.02 -1.05 -1.26 -4.36 118.70 121.93 2k9z s GLU 30 Ca 0.36 1.06 -0.01 0.00 -0.15 0.00 0.00 54.97 56.23 2k9z s GLU 30 Cb -0.17 -2.14 0.00 0.00 -0.44 0.00 0.00 34.13 31.39 2k9z s GLU 30 CO 0.13 -0.23 0.06 1.97 0.95 0.00 0.00 175.26 178.13 2k9z n PHE 31 N -1.24 -0.93 -4.10 4.83 1.16 -0.48 -5.00 117.46 111.69 2k9z n PHE 31 Ca 0.07 -0.17 -0.30 0.00 -1.87 0.00 0.00 57.45 55.18 2k9z n PHE 31 Cb 0.54 0.07 -0.16 0.00 -1.61 0.00 0.00 39.48 38.31 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 -1.18 2.63 0.19 5.98 1.47 -1.26 -0.21 116.67 124.30 2k9z s ASP 32 Ca 0.02 -0.47 0.07 0.00 1.18 0.00 0.00 52.55 53.34 2k9z s ASP 32 Cb -0.00 -1.16 -0.04 0.00 -0.34 0.00 0.00 42.92 41.38 2k9z s ASP 32 CO 0.01 -0.04 0.06 0.86 0.68 0.00 0.00 175.17 176.73 2k9z s TRP 33 N 1.40 2.94 -0.07 2.11 -0.11 -0.55 -4.96 118.94 119.70 2k9z s TRP 33 Ca 0.03 -0.11 0.05 0.00 1.22 0.00 0.00 56.10 57.28 2k9z s TRP 33 Cb -0.13 -1.40 -0.00 0.00 -1.50 0.00 0.00 33.47 30.44 2k9z s TRP 33 CO -0.09 0.53 -0.21 -0.47 -4.62 0.00 0.00 176.95 172.09 2k9z s TYR 34 N -1.83 2.16 -0.39 5.86 5.04 -1.26 -1.91 117.35 125.02 2k9z s TYR 34 Ca 0.29 -0.73 -0.10 0.00 -2.44 0.00 0.00 57.07 54.09 2k9z s TYR 34 Cb -0.09 -1.45 0.05 0.00 0.35 0.00 0.00 41.96 40.82 2k9z s TYR 34 CO 0.21 -0.27 0.22 0.71 -1.34 0.00 0.00 175.55 175.08 2k9z s TYR 35 N 0.12 3.27 -2.44 4.97 2.02 -0.22 -4.94 117.35 120.13 2k9z s TYR 35 Ca -0.09 -1.18 0.22 0.00 -0.37 0.00 0.00 57.07 55.65 2k9z s TYR 35 Cb -0.15 -2.62 0.36 0.00 -0.40 0.00 0.00 41.96 39.15 2k9z s TYR 35 CO 0.05 -0.73 1.34 -3.47 -1.57 0.00 0.00 175.55 171.17 2k9z n ASP 36 N 4.97 3.30 -3.87 2.29 2.03 -1.26 -0.57 116.55 123.44 2k9z n ASP 36 Ca -0.11 -1.97 -0.09 0.00 0.52 0.00 0.00 54.79 53.14 2k9z n ASP 36 Cb 0.45 -0.19 -0.06 0.00 -0.72 0.00 0.00 41.12 40.59 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 -1.52 0.07 0.38 5.18 -4.23 -1.26 -4.57 115.64 109.68 2k9z s THR 37 Ca 0.35 -1.15 -0.27 0.00 -1.18 0.00 0.00 61.69 59.44 2k9z s THR 37 Cb 0.21 -1.65 -0.09 0.00 1.34 0.00 0.00 72.50 72.31 2k9z s THR 37 CO 0.30 -0.31 1.29 0.20 -0.54 0.00 0.00 174.62 175.56 2k9z s ASN 38 N -2.92 6.48 -0.10 3.99 0.01 -1.26 -4.04 114.94 117.10 2k9z s ASN 38 Ca 0.12 2.63 -0.08 0.00 -0.71 0.00 0.00 52.86 54.82 2k9z s ASN 38 Cb 0.02 -2.64 0.03 0.00 0.41 0.00 0.00 41.25 39.08 2k9z s ASN 38 CO -0.03 -0.73 0.27 -0.70 -1.51 0.00 0.00 177.10 174.39 2k9z s GLU 39 N -2.11 0.29 -0.20 -0.60 2.12 -1.21 -1.75 118.70 115.25 2k9z s GLU 39 Ca 0.54 0.43 -0.02 0.00 0.36 0.00 0.00 54.97 56.29 2k9z s GLU 39 Cb -0.38 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.09 2k9z s GLU 39 CO 0.49 -0.07 -0.11 0.99 -0.54 0.00 0.00 175.26 176.02 2k9z s THR 40 N 0.49 2.88 0.05 -1.70 2.01 -0.31 -1.57 115.64 117.49 2k9z s THR 40 Ca -0.03 -0.67 0.09 0.00 0.31 0.00 0.00 61.69 61.39 2k9z s THR 40 Cb -0.04 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 2k9z s THR 40 CO -0.03 0.47 -0.24 0.00 -0.69 0.00 0.00 174.62 174.14 2k9z s TYR 42 N -0.83 3.05 0.28 0.00 5.04 0.35 -1.84 117.35 123.40 2k9z s TYR 42 Ca 0.10 -2.22 -0.29 0.00 -2.44 0.00 0.00 57.07 52.22 2k9z s TYR 42 Cb -0.10 -1.91 -0.10 0.00 0.35 0.00 0.00 41.96 40.21 2k9z s TYR 42 CO 0.02 -0.86 1.26 0.42 -1.34 0.00 0.00 175.55 175.05 2k9z s ILE 43 N 1.17 3.03 0.00 3.14 -1.09 -1.26 -1.79 121.20 124.40 2k9z s ILE 43 Ca -0.06 0.98 0.00 0.00 -2.23 0.00 0.00 60.65 59.33 2k9z s ILE 43 Cb -0.20 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 2k9z s ILE 43 CO -0.06 0.21 0.00 0.18 -1.23 0.00 0.00 174.94 174.04 2k9z n LEU 44 N 1.38 0.49 -4.24 2.97 4.32 -1.26 -4.05 117.00 116.61 2k9z n LEU 44 Ca 0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.86 2k9z n LEU 44 Cb 0.43 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.13 2k9z n LEU 44 CO 0.58 0.08 -0.22 -1.83 -1.22 0.00 0.00 177.39 174.78 2k9z s GLU 45 N -1.75 1.34 0.00 3.23 -1.05 -1.26 -4.72 118.70 114.50 2k9z s GLU 45 Ca 0.00 -1.73 0.00 0.00 -0.15 0.00 0.00 54.97 53.09 2k9z s GLU 45 Cb 0.00 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 2k9z s GLU 45 CO 0.00 -0.42 0.00 0.41 0.95 0.00 0.00 175.26 176.20 2k9z n GLY 46 N -0.38 -4.33 3.00 -3.83 0.00 -1.26 -4.27 105.19 94.12 2k9z n GLY 46 Ca 0.02 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.98 0.35 -0.03 1.61 -0.14 -1.26 -3.83 119.74 115.47 2k9z s LYS 47 Ca 0.00 -0.69 -0.09 0.00 -1.36 0.00 0.00 55.97 53.82 2k9z s LYS 47 Cb 0.00 0.13 0.01 0.00 -1.68 0.00 0.00 37.83 36.29 2k9z s LYS 47 CO 0.00 -0.06 0.21 0.54 -0.76 0.00 0.00 175.35 175.28 2k9z s VAL 48 N -1.80 0.05 0.13 3.17 0.11 -0.88 -2.02 120.40 119.16 2k9z s VAL 48 Ca -0.13 -0.43 0.11 0.00 -2.93 0.00 0.00 61.98 58.60 2k9z s VAL 48 Cb -0.07 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 2k9z s VAL 48 CO -0.02 -0.23 -0.27 -1.61 -3.33 0.00 0.00 175.10 169.64 2k9z s GLU 49 N -0.91 1.40 -0.31 1.54 2.02 0.12 -1.51 118.70 121.05 2k9z s GLU 49 Ca -0.10 -1.34 0.01 0.00 0.02 0.00 0.00 54.97 53.56 2k9z s GLU 49 Cb -0.05 -1.88 0.10 0.00 0.10 0.00 0.00 34.13 32.39 2k9z s GLU 49 CO 0.02 0.45 0.07 0.08 0.02 0.00 0.00 175.26 175.89 2k9z s VAL 50 N -1.06 1.43 -0.40 2.63 1.01 0.18 -0.18 120.40 124.01 2k9z s VAL 50 Ca 0.14 -1.70 -0.29 0.00 0.00 0.00 0.00 61.98 60.12 2k9z s VAL 50 Cb -0.10 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.27 2k9z s VAL 50 CO 0.06 -0.59 1.15 -0.89 0.00 0.00 0.00 175.10 174.83 2k9z s THR 51 N 1.35 4.29 0.75 3.92 2.01 -1.25 -0.85 115.64 125.85 2k9z s THR 51 Ca 0.09 1.40 -0.11 0.00 0.31 0.00 0.00 61.69 63.37 2k9z s THR 51 Cb -0.18 -4.48 0.04 0.00 0.01 0.00 0.00 72.50 67.90 2k9z s THR 51 CO -0.17 -0.76 1.08 0.42 -0.69 0.00 0.00 174.62 174.50 2k9z s THR 52 N 4.23 3.55 0.39 -0.82 -4.23 -0.01 -1.94 115.64 116.80 2k9z s THR 52 Ca 0.49 0.50 0.10 0.00 -1.18 0.00 0.00 61.69 61.60 2k9z s THR 52 Cb -0.10 -3.18 0.32 0.00 1.34 0.00 0.00 72.50 70.88 2k9z s THR 52 CO 0.25 -0.66 1.94 1.05 -0.54 0.00 0.00 174.62 176.66 2k9z h GLU 53 N -0.96 0.59 0.00 3.99 4.11 -1.88 -1.97 114.58 118.47 2k9z h GLU 53 Ca -0.45 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2k9z h GLU 53 Cb 1.23 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2k9z h GLU 53 CO 0.56 0.39 0.00 -3.47 0.07 0.00 0.00 179.01 176.56 2k9z n ASP 54 N -4.50 0.00 0.00 3.06 2.03 -1.26 -4.82 116.55 111.07 2k9z n ASP 54 Ca 0.13 -0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2k9z n ASP 54 Cb 0.36 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 2k9z n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k9z n GLY 55 N -0.12 1.47 3.68 0.27 0.00 -0.74 -5.05 105.19 104.70 2k9z n GLY 55 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.92 4.26 0.27 1.61 1.02 -1.26 -4.81 119.74 119.92 2k9z s LYS 56 Ca 0.00 1.92 -0.17 0.00 0.02 0.00 0.00 55.97 57.74 2k9z s LYS 56 Cb 0.00 -3.70 -0.09 0.00 -0.52 0.00 0.00 37.83 33.53 2k9z s LYS 56 CO 0.00 -0.65 0.73 -1.59 -0.92 0.00 0.00 175.35 172.92 2k9z s LYS 57 N 2.95 4.12 -0.25 1.68 0.00 -1.26 -0.83 119.74 126.15 2k9z s LYS 57 Ca 0.63 0.76 -0.01 0.00 0.00 0.00 0.00 55.97 57.34 2k9z s LYS 57 Cb -0.29 -2.64 0.08 0.00 0.00 0.00 0.00 37.83 34.97 2k9z s LYS 57 CO 0.24 0.27 0.05 0.71 0.00 0.00 0.00 175.35 176.62 2k9z s TYR 58 N -1.76 1.52 -0.23 1.78 2.02 -0.03 -4.94 117.35 115.71 2k9z s TYR 58 Ca 0.49 -1.36 -0.29 0.00 -0.37 0.00 0.00 57.07 55.54 2k9z s TYR 58 Cb -0.13 -1.39 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 2k9z s TYR 58 CO 0.19 -0.75 1.31 0.08 -1.57 0.00 0.00 175.55 174.82 2k9z s VAL 59 N 1.69 4.16 -0.06 0.71 1.01 -1.26 -0.65 120.40 126.00 2k9z s VAL 59 Ca 0.03 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2k9z s VAL 59 Cb -0.17 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2k9z s VAL 59 CO -0.15 -0.30 -0.04 0.27 0.00 0.00 0.00 175.10 174.89 2k9z s ILE 60 N 4.03 3.96 0.20 2.22 -0.00 -0.57 -4.98 121.20 126.06 2k9z s ILE 60 Ca 0.57 -0.45 0.01 0.00 -0.00 0.00 0.00 60.65 60.78 2k9z s ILE 60 Cb -0.20 -2.66 -0.00 0.00 -0.00 0.00 0.00 42.46 39.59 2k9z s ILE 60 CO 0.20 0.55 0.24 -1.84 -0.00 0.00 0.00 174.94 174.09 2k9z n GLU 61 N 2.01 0.35 -0.32 0.37 0.28 -1.26 -2.07 120.64 119.99 2k9z n GLU 61 Ca -0.17 -1.74 -0.21 0.00 -0.16 0.00 0.00 57.16 54.88 2k9z n GLU 61 Cb 0.53 1.58 -0.05 0.00 1.43 0.00 0.00 31.44 34.92 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 -0.35 0.00 0.00 3.44 2.85 -1.25 -1.33 118.16 121.52 2k9z n LYS 62 Ca 0.02 -0.67 0.00 0.00 -1.05 0.00 0.00 58.31 56.61 2k9z n LYS 62 Cb 0.35 -2.10 0.00 0.00 -0.65 0.00 0.00 35.03 32.62 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 4.34 -0.17 2.86 2.58 0.00 -1.26 -4.91 105.19 108.63 2k9z n GLY 63 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 3.42 0.34 1.61 1.01 -0.45 -4.65 116.67 117.95 2k9z s ASP 64 Ca 0.00 -1.00 -0.27 0.00 0.71 0.00 0.00 52.55 51.99 2k9z s ASP 64 Cb 0.00 -0.94 -0.09 0.00 1.01 0.00 0.00 42.92 42.90 2k9z s ASP 64 CO 0.00 -0.26 1.07 -0.22 0.21 0.00 0.00 175.17 175.97 2k9z s LEU 65 N 1.59 4.34 -0.05 1.23 2.96 0.80 -4.10 118.68 125.45 2k9z s LEU 65 Ca -0.04 2.15 0.01 0.00 -0.22 0.00 0.00 54.13 56.03 2k9z s LEU 65 Cb -0.18 -3.92 0.02 0.00 0.50 0.00 0.00 46.19 42.61 2k9z s LEU 65 CO -0.07 -0.33 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.89 2k9z s VAL 66 N -1.42 0.63 -0.10 1.68 1.01 -0.77 -1.14 120.40 120.29 2k9z s VAL 66 Ca 0.51 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 2k9z s VAL 66 Cb -0.27 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2k9z s VAL 66 CO 0.34 0.25 0.17 -0.89 0.00 0.00 0.00 175.10 174.97 2k9z s THR 67 N 0.96 5.45 0.19 3.92 2.01 0.19 -1.31 115.64 127.05 2k9z s THR 67 Ca -0.10 0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.23 2k9z s THR 67 Cb -0.14 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 2k9z s THR 67 CO 0.00 0.60 0.18 -0.36 -0.69 0.00 0.00 174.62 174.35 2k9z s PHE 68 N -1.05 3.19 0.92 4.92 0.08 -0.61 -0.95 117.98 124.48 2k9z s PHE 68 Ca 0.17 -0.03 -0.15 0.00 0.12 0.00 0.00 56.93 57.04 2k9z s PHE 68 Cb -0.13 -1.50 0.16 0.00 -0.57 0.00 0.00 43.02 40.99 2k9z s PHE 68 CO 0.06 0.52 1.27 -1.25 -0.10 0.00 0.00 175.22 175.71 2k9z s PRO 69 N -3.36 1.02 -0.89 0.24 0.04 -1.26 -3.29 135.00 127.51 2k9z s PRO 69 Ca 0.32 -0.22 -0.24 0.00 0.04 0.00 0.00 61.00 60.90 2k9z s PRO 69 Cb -0.09 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.63 2k9z s PRO 69 CO 0.25 -2.19 1.32 0.21 0.04 0.00 0.00 177.00 176.63 2k9z s LYS 70 N -5.77 3.42 0.00 4.56 2.20 -1.26 -4.14 119.74 118.75 2k9z s LYS 70 Ca 0.70 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 2k9z s LYS 70 Cb -0.06 -4.84 0.00 0.00 -1.51 0.00 0.00 37.83 31.42 2k9z s LYS 70 CO 0.52 -2.11 0.00 0.41 -0.36 0.00 0.00 175.35 173.81 2k9z n GLY 71 N 6.12 1.03 3.64 5.54 0.00 0.26 -4.85 105.19 116.92 2k9z n GLY 71 Ca 0.19 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.76 -0.53 0.99 2.96 -0.83 -4.88 118.68 115.62 2k9z s LEU 72 Ca 0.00 1.34 0.04 0.00 -0.22 0.00 0.00 54.13 55.28 2k9z s LEU 72 Cb 0.00 2.29 0.15 0.00 0.50 0.00 0.00 46.19 49.13 2k9z s LEU 72 CO 0.00 -0.22 0.33 0.00 -1.32 0.00 0.00 176.35 175.14 2k9z s ARG 73 N 0.95 1.69 0.34 1.98 1.04 -1.26 -1.06 118.95 122.63 2k9z s ARG 73 Ca -0.04 -2.52 0.08 0.00 -1.04 0.00 0.00 55.73 52.21 2k9z s ARG 73 Cb -0.05 -2.69 -0.06 0.00 -2.04 0.00 0.00 34.95 30.11 2k9z s ARG 73 CO -0.10 -1.22 -0.06 0.00 -0.04 0.00 0.00 175.30 173.88 2k9z s ARG 75 N -3.67 1.63 -0.27 0.00 0.52 -0.82 -1.48 118.95 114.86 2k9z s ARG 75 Ca 0.32 0.96 -0.03 0.00 -0.52 0.00 0.00 55.73 56.46 2k9z s ARG 75 Cb 0.04 -1.84 0.09 0.00 0.52 0.00 0.00 34.95 33.76 2k9z s ARG 75 CO 0.15 -2.03 0.11 -1.58 0.02 0.00 0.00 175.30 171.98 2k9z s TRP 76 N -2.92 0.62 -0.66 -0.53 0.52 0.71 -3.94 118.94 112.74 2k9z s TRP 76 Ca 0.63 -0.96 -0.24 0.00 0.02 0.00 0.00 56.10 55.55 2k9z s TRP 76 Cb -0.18 -1.03 0.06 0.00 -1.15 0.00 0.00 33.47 31.17 2k9z s TRP 76 CO 0.57 -0.78 1.02 0.21 0.02 0.00 0.00 176.95 177.99 2k9z s LYS 77 N 2.00 3.15 -0.94 4.98 2.47 0.75 -1.39 119.74 130.76 2k9z s LYS 77 Ca 0.07 -0.66 -0.24 0.00 -1.56 0.00 0.00 55.97 53.58 2k9z s LYS 77 Cb -0.16 -4.20 0.05 0.00 -1.46 0.00 0.00 37.83 32.05 2k9z s LYS 77 CO -0.29 -1.85 1.39 0.08 0.16 0.00 0.00 175.35 174.84 2k9z s VAL 78 N 4.38 3.88 0.32 4.02 1.01 -1.26 -0.70 120.40 132.06 2k9z s VAL 78 Ca 0.25 -0.44 0.14 0.00 0.00 0.00 0.00 61.98 61.93 2k9z s VAL 78 Cb -0.15 -5.01 0.08 0.00 0.00 0.00 0.00 36.38 31.31 2k9z s VAL 78 CO 0.12 -1.91 1.78 -0.07 0.00 0.00 0.00 175.10 175.03 2k9z h LEU 79 N 12.81 0.00 -8.39 3.92 3.38 -1.78 -3.38 115.31 121.87 2k9z h LEU 79 Ca 0.06 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 2k9z h LEU 79 Cb 1.02 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.63 2k9z h LEU 79 CO 1.38 0.41 -0.60 -1.61 0.09 0.00 0.00 178.44 178.11 2k9z s GLU 80 N -3.98 0.97 -0.06 1.13 2.02 -0.85 -4.96 118.70 112.96 2k9z s GLU 80 Ca -0.02 -1.41 -0.29 0.00 0.02 0.00 0.00 54.97 53.26 2k9z s GLU 80 Cb 0.13 0.26 -0.07 0.00 0.10 0.00 0.00 34.13 34.56 2k9z s GLU 80 CO 0.72 -0.29 1.99 -1.25 0.02 0.00 0.00 175.26 176.45 2k9z s PRO 81 N -4.04 3.84 -0.01 0.39 0.04 -1.26 -4.47 135.00 129.48 2k9z s PRO 81 Ca 0.24 2.35 0.02 0.00 0.04 0.00 0.00 61.00 63.66 2k9z s PRO 81 Cb 0.07 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.37 2k9z s PRO 81 CO 0.02 -1.30 -0.06 0.54 0.04 0.00 0.00 177.00 176.25 2k9z s VAL 82 N 5.56 3.73 -0.16 -0.36 0.11 -1.25 -4.42 120.40 123.61 2k9z s VAL 82 Ca 0.90 -0.69 0.15 0.00 -2.93 0.00 0.00 61.98 59.41 2k9z s VAL 82 Cb -0.38 -2.61 0.42 0.00 -1.53 0.00 0.00 36.38 32.28 2k9z s VAL 82 CO 0.38 0.44 1.20 -1.14 -3.33 0.00 0.00 175.10 172.65 2k9z n ARG 83 N 1.68 1.19 -0.67 1.54 0.63 -1.26 -3.34 116.66 116.43 2k9z n ARG 83 Ca -0.16 -2.96 -0.31 0.00 -0.92 0.00 0.00 57.85 53.50 2k9z n ARG 83 Cb 0.53 -1.22 0.17 0.00 0.45 0.00 0.00 32.46 32.39 2k9z n ARG 83 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2k9z n LYS 84 N -0.73 -0.70 -3.17 -0.14 0.00 -0.97 -4.42 118.16 108.02 2k9z n LYS 84 Ca 0.16 -0.15 -0.39 0.00 -0.00 0.00 0.00 58.31 57.93 2k9z n LYS 84 Cb 0.80 -2.23 -0.05 0.00 -0.00 0.00 0.00 35.03 33.54 2k9z n LYS 84 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2k9z s HIS 85 N -2.55 3.55 0.19 5.58 3.76 -0.74 -1.86 115.29 123.22 2k9z s HIS 85 Ca 0.65 1.08 0.11 0.00 -0.15 0.00 0.00 55.06 56.75 2k9z s HIS 85 Cb -0.23 -2.68 -0.04 0.00 1.11 0.00 0.00 32.58 30.74 2k9z s HIS 85 CO 0.61 0.13 -0.22 1.52 -0.85 0.00 0.00 174.74 175.93 2k9z s TYR 86 N 0.70 2.17 -0.13 1.40 1.13 -1.07 -0.50 117.35 121.05 2k9z s TYR 86 Ca 0.32 -0.39 -0.04 0.00 -1.41 0.00 0.00 57.07 55.56 2k9z s TYR 86 Cb -0.17 -1.07 0.06 0.00 -1.10 0.00 0.00 41.96 39.68 2k9z s TYR 86 CO 0.14 0.46 0.18 1.21 -2.51 0.00 0.00 175.55 175.03 2k9z s ASN 87 N -2.67 0.99 0.30 -0.18 2.47 0.39 -3.81 114.94 112.42 2k9z s ASN 87 Ca 0.19 0.15 -0.29 0.00 0.42 0.00 0.00 52.86 53.33 2k9z s ASN 87 Cb -0.07 0.31 -0.10 0.00 -1.45 0.00 0.00 41.25 39.94 2k9z s ASN 87 CO 0.09 -0.27 1.17 -0.76 -3.72 0.00 0.00 177.10 173.61 2k9z s LEU 88 N 2.30 4.51 0.00 3.21 1.43 -1.26 -1.16 118.68 127.71 2k9z s LEU 88 Ca 0.04 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 2k9z s LEU 88 Cb -0.13 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2k9z s LEU 88 CO -0.08 -0.28 0.00 2.22 0.23 0.00 0.00 176.35 178.44