#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 0.62 -1.52 3.17 -0.58 -1.26 -2.93 120.64 118.14 2k9z n GLU 2 Ca 0.00 0.26 -0.48 0.00 -0.42 0.00 0.00 57.16 56.52 2k9z n GLU 2 Cb 0.00 -2.09 -0.06 0.00 -0.57 0.00 0.00 31.44 28.73 2k9z n GLU 2 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2k9z n VAL 3 N -2.12 0.27 -4.24 2.62 3.14 -1.26 -4.72 118.33 112.02 2k9z n VAL 3 Ca 0.13 -0.32 -0.31 0.00 -2.96 0.00 0.00 64.34 60.88 2k9z n VAL 3 Cb 0.49 -1.98 -0.09 0.00 -1.06 0.00 0.00 33.84 31.20 2k9z n VAL 3 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2k9z s LYS 4 N 6.09 2.53 -0.00 1.45 3.01 -0.46 -4.98 119.74 127.37 2k9z s LYS 4 Ca 1.05 -0.80 0.00 0.00 -1.01 0.00 0.00 55.97 55.21 2k9z s LYS 4 Cb -0.67 -2.52 0.00 0.00 -1.01 0.00 0.00 37.83 33.63 2k9z s LYS 4 CO 0.45 0.56 -0.01 0.42 0.51 0.00 0.00 175.35 177.28 2k9z s ILE 5 N -1.19 0.07 0.34 2.17 1.01 -1.26 -1.23 121.20 121.11 2k9z s ILE 5 Ca 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.77 2k9z s ILE 5 Cb -0.11 -0.07 0.03 0.00 0.01 0.00 0.00 42.46 42.31 2k9z s ILE 5 CO 0.14 0.03 0.59 -1.84 0.00 0.00 0.00 174.94 173.86 2k9z n GLU 6 N 3.13 0.85 -3.90 2.79 0.28 -0.64 -5.01 120.64 118.14 2k9z n GLU 6 Ca -0.13 -2.30 -0.28 0.00 -0.16 0.00 0.00 57.16 54.29 2k9z n GLU 6 Cb 0.59 2.52 -0.12 0.00 1.43 0.00 0.00 31.44 35.85 2k9z n GLU 6 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2k9z s LYS 7 N -2.39 2.41 0.94 3.44 -0.14 -1.26 -1.21 119.74 121.53 2k9z s LYS 7 Ca 0.20 -3.28 -0.12 0.00 -1.36 0.00 0.00 55.97 51.41 2k9z s LYS 7 Cb -0.03 -3.41 0.15 0.00 -1.68 0.00 0.00 37.83 32.87 2k9z s LYS 7 CO 0.15 -1.27 1.11 -1.25 -0.76 0.00 0.00 175.35 173.33 2k9z s PRO 8 N -1.34 0.91 0.46 -1.68 0.04 -1.26 -5.01 135.00 127.11 2k9z s PRO 8 Ca 0.24 0.43 -0.24 0.00 0.04 0.00 0.00 61.00 61.47 2k9z s PRO 8 Cb -0.07 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 2k9z s PRO 8 CO -0.15 -2.39 1.26 -0.08 0.04 0.00 0.00 177.00 175.68 2k9z s THR 9 N -3.13 2.70 -1.48 1.26 -1.32 -1.26 -4.91 115.64 107.50 2k9z s THR 9 Ca 0.64 0.56 0.11 0.00 -1.21 0.00 0.00 61.69 61.79 2k9z s THR 9 Cb -0.16 -3.30 0.20 0.00 -1.51 0.00 0.00 72.50 67.72 2k9z s THR 9 CO 0.55 0.03 1.22 -0.81 -2.21 0.00 0.00 174.62 173.40 2k9z n PRO 10 N -0.38 0.17 -0.09 7.08 -0.04 -1.26 -3.31 135.00 137.17 2k9z n PRO 10 Ca 0.07 0.17 -0.17 0.00 -0.04 0.00 0.00 63.50 63.52 2k9z n PRO 10 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.00 -0.71 0.54 5.08 -2.01 -3.30 114.58 114.18 2k9z h GLU 11 Ca 0.00 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 2k9z h GLU 11 Cb 0.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.24 2k9z h GLU 11 CO 0.00 0.83 0.17 -0.22 -1.00 0.00 0.00 179.01 178.79 2k9z h LYS 12 N -1.00 0.27 -0.67 2.33 1.63 -1.96 -0.23 116.57 116.94 2k9z h LYS 12 Ca -0.23 -0.02 0.14 0.00 -0.85 0.00 0.00 60.65 59.69 2k9z h LYS 12 Cb 1.09 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.62 2k9z h LYS 12 CO -0.14 0.18 0.45 -0.07 -3.45 0.00 0.00 179.45 176.42 2k9z h LEU 13 N 0.28 0.31 0.12 5.20 3.38 -1.71 -1.22 115.31 121.68 2k9z h LEU 13 Ca 0.39 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 2k9z h LEU 13 Cb 0.65 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2k9z h LEU 13 CO -0.48 0.17 -0.06 0.11 0.09 0.00 0.00 178.44 178.27 2k9z h LYS 14 N 0.34 -0.16 -0.20 1.13 1.57 -1.11 -3.24 116.57 114.90 2k9z h LYS 14 Ca 0.32 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.14 2k9z h LYS 14 Cb 0.79 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 2k9z h LYS 14 CO -0.09 0.05 0.03 0.93 -0.57 0.00 0.00 179.45 179.81 2k9z h GLU 15 N -0.36 0.10 0.00 3.15 5.08 -1.16 -0.09 114.58 121.31 2k9z h GLU 15 Ca -0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2k9z h GLU 15 Cb 0.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2k9z h GLU 15 CO 0.03 0.07 0.11 1.28 -1.00 0.00 0.00 179.01 179.49 2k9z n LEU 16 N -5.10 0.20 -2.40 1.33 4.77 -0.77 -4.81 117.00 110.21 2k9z n LEU 16 Ca -0.02 0.52 -0.19 0.00 -0.03 0.00 0.00 56.01 56.29 2k9z n LEU 16 Cb 0.10 -0.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.67 2k9z n LEU 16 CO 0.28 -0.59 -0.12 -1.20 -1.33 0.00 0.00 177.39 174.43 2k9z n SER 17 N -1.73 -5.50 -0.35 -1.43 7.64 -0.05 -4.91 113.62 107.30 2k9z n SER 17 Ca -0.01 -0.14 0.14 0.00 1.01 0.00 0.00 58.87 59.88 2k9z n SER 17 Cb 0.12 -4.45 0.35 0.00 -1.01 0.00 0.00 64.21 59.22 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 -0.62 0.68 0.00 0.44 2.07 -1.75 -0.01 116.25 117.05 2k9z h VAL 18 Ca -0.46 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2k9z h VAL 18 Cb 1.33 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2k9z h VAL 18 CO 0.51 0.13 0.11 1.05 0.02 0.00 0.00 177.57 179.39 2k9z h GLU 19 N 0.71 0.00 0.00 1.57 4.11 -1.89 -1.27 114.58 117.82 2k9z h GLU 19 Ca 0.58 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.85 2k9z h GLU 19 Cb 0.98 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 2k9z h GLU 19 CO -0.38 0.00 -1.55 1.63 0.07 0.00 0.00 179.01 178.78 2k9z n LYS 20 N -2.91 0.63 -0.91 1.06 5.02 -0.02 -4.98 118.16 116.05 2k9z n LYS 20 Ca -0.02 0.16 -0.32 0.00 -2.02 0.00 0.00 58.31 56.10 2k9z n LYS 20 Cb 0.17 -1.75 0.15 0.00 -0.02 0.00 0.00 35.03 33.57 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 -2.95 1.71 -0.11 2.13 0.52 -0.48 -4.87 118.94 114.89 2k9z s TRP 21 Ca -0.04 1.74 -0.29 0.00 0.02 0.00 0.00 56.10 57.52 2k9z s TRP 21 Cb 0.09 -3.41 -0.04 0.00 -1.15 0.00 0.00 33.47 28.95 2k9z s TRP 21 CO 0.82 -2.83 1.61 -1.25 0.02 0.00 0.00 176.95 175.32 2k9z s PRO 22 N -4.40 4.07 0.49 4.98 0.04 -1.26 -4.93 135.00 133.99 2k9z s PRO 22 Ca 0.70 1.99 -0.24 0.00 0.04 0.00 0.00 61.00 63.50 2k9z s PRO 22 Cb -0.26 -3.98 -0.07 0.00 0.04 0.00 0.00 34.50 30.23 2k9z s PRO 22 CO 0.54 -0.97 1.36 0.42 0.04 0.00 0.00 177.00 178.39 2k9z s ILE 23 N 4.36 2.23 -0.01 0.56 1.01 -1.26 -3.97 121.20 124.12 2k9z s ILE 23 Ca 0.71 0.19 0.03 0.00 0.00 0.00 0.00 60.65 61.58 2k9z s ILE 23 Cb -0.30 -3.10 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 2k9z s ILE 23 CO 0.28 0.01 -0.09 0.86 0.00 0.00 0.00 174.94 176.00 2k9z s TRP 24 N -1.29 0.88 0.08 3.97 -0.00 -1.04 -4.98 118.94 116.56 2k9z s TRP 24 Ca 0.66 -0.19 0.02 0.00 -0.00 0.00 0.00 56.10 56.58 2k9z s TRP 24 Cb -0.40 -0.59 -0.04 0.00 -0.00 0.00 0.00 33.47 32.44 2k9z s TRP 24 CO 0.50 -0.05 -0.07 -1.83 -0.00 0.00 0.00 176.95 175.50 2k9z s GLU 25 N -0.05 0.73 0.21 5.86 -1.05 -1.26 -2.17 118.70 120.96 2k9z s GLU 25 Ca 0.01 -1.17 -0.15 0.00 -0.15 0.00 0.00 54.97 53.51 2k9z s GLU 25 Cb -0.06 -0.19 0.01 0.00 -0.44 0.00 0.00 34.13 33.45 2k9z s GLU 25 CO -0.00 -0.01 0.49 0.21 0.95 0.00 0.00 175.26 176.90 2k9z s LYS 26 N -3.23 1.42 1.16 -4.83 2.47 -1.22 -5.03 119.74 110.48 2k9z s LYS 26 Ca 0.05 -1.01 -0.17 0.00 -1.56 0.00 0.00 55.97 53.28 2k9z s LYS 26 Cb 0.01 0.49 0.27 0.00 -1.46 0.00 0.00 37.83 37.14 2k9z s LYS 26 CO -0.04 -0.59 1.09 -1.21 0.16 0.00 0.00 175.35 174.76 2k9z s GLU 27 N -3.92 -0.88 0.00 4.03 8.01 -1.26 -3.99 118.70 120.68 2k9z s GLU 27 Ca 0.14 0.15 0.30 0.00 0.01 0.00 0.00 54.97 55.56 2k9z s GLU 27 Cb -0.01 -1.62 1.38 0.00 -4.31 0.00 0.00 34.13 29.58 2k9z s GLU 27 CO 0.01 -3.53 1.98 1.55 0.01 0.00 0.00 175.26 175.28 2k9z n VAL 28 N -4.67 0.00 -2.28 2.63 3.14 -1.26 -4.68 118.33 111.21 2k9z n VAL 28 Ca 0.10 -0.01 -0.34 0.00 -2.96 0.00 0.00 64.34 61.14 2k9z n VAL 28 Cb 0.59 -0.43 -0.01 0.00 -1.06 0.00 0.00 33.84 32.92 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 -2.69 6.00 0.69 6.55 0.15 -1.26 -4.45 113.70 118.69 2k9z s SER 29 Ca 0.24 1.91 -0.08 0.00 0.70 0.00 0.00 55.95 58.73 2k9z s SER 29 Cb 0.20 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 62.00 2k9z s SER 29 CO 0.49 -1.02 1.02 -1.61 1.20 0.00 0.00 173.24 173.32 2k9z s GLU 30 N -3.62 2.39 0.00 5.44 8.01 -1.26 -4.46 118.70 125.20 2k9z s GLU 30 Ca 0.66 -0.07 0.00 0.00 0.01 0.00 0.00 54.97 55.57 2k9z s GLU 30 Cb -0.17 -2.15 0.00 0.00 -4.31 0.00 0.00 34.13 27.50 2k9z s GLU 30 CO 0.29 -1.15 0.00 1.97 0.01 0.00 0.00 175.26 176.37 2k9z n PHE 31 N -2.91 -0.21 -4.48 1.61 1.16 -0.60 -5.00 117.46 107.03 2k9z n PHE 31 Ca 0.07 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.42 2k9z n PHE 31 Cb 0.60 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.36 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 0.80 3.28 0.24 5.98 -4.77 -1.26 -1.51 116.67 119.43 2k9z s ASP 32 Ca 0.00 -1.17 0.01 0.00 -3.30 0.00 0.00 52.55 48.10 2k9z s ASP 32 Cb 0.00 -0.26 -0.05 0.00 -1.09 0.00 0.00 42.92 41.52 2k9z s ASP 32 CO 0.00 -0.23 0.08 0.86 0.70 0.00 0.00 175.17 176.58 2k9z s TRP 33 N -2.77 1.48 0.06 2.11 -0.11 0.19 -4.82 118.94 115.07 2k9z s TRP 33 Ca 0.30 -1.15 0.02 0.00 1.22 0.00 0.00 56.10 56.49 2k9z s TRP 33 Cb 0.02 -0.86 -0.03 0.00 -1.50 0.00 0.00 33.47 31.10 2k9z s TRP 33 CO 0.14 -0.31 -0.07 -0.47 -4.62 0.00 0.00 176.95 171.61 2k9z s TYR 34 N -3.74 0.76 -0.08 5.86 6.14 -1.26 -2.47 117.35 122.56 2k9z s TYR 34 Ca 0.35 -0.65 -0.01 0.00 0.64 0.00 0.00 57.07 57.40 2k9z s TYR 34 Cb 0.07 -0.45 0.03 0.00 0.42 0.00 0.00 41.96 42.03 2k9z s TYR 34 CO 0.12 -0.11 -0.01 0.71 0.64 0.00 0.00 175.55 176.90 2k9z s TYR 35 N -2.21 0.82 -0.15 4.97 2.02 -0.06 -5.00 117.35 117.74 2k9z s TYR 35 Ca -0.02 -0.27 0.14 0.00 -0.37 0.00 0.00 57.07 56.55 2k9z s TYR 35 Cb -0.04 -0.88 0.37 0.00 -0.40 0.00 0.00 41.96 41.01 2k9z s TYR 35 CO -0.02 -0.36 1.19 -3.47 -1.57 0.00 0.00 175.55 171.32 2k9z n ASP 36 N 5.09 1.66 -3.85 2.29 2.03 -1.26 -0.40 116.55 122.11 2k9z n ASP 36 Ca -0.08 -3.37 -0.11 0.00 0.52 0.00 0.00 54.79 51.75 2k9z n ASP 36 Cb 0.50 -0.46 -0.06 0.00 -0.72 0.00 0.00 41.12 40.38 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 -2.55 0.00 -0.42 5.18 -4.23 -1.26 -4.61 115.64 107.75 2k9z s THR 37 Ca 0.34 -1.57 -0.28 0.00 -1.18 0.00 0.00 61.69 59.00 2k9z s THR 37 Cb 0.33 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.79 2k9z s THR 37 CO -0.06 0.00 1.71 0.20 -0.54 0.00 0.00 174.62 175.94 2k9z s ASN 38 N -3.10 5.85 -0.49 3.99 0.01 -1.26 -3.87 114.94 116.07 2k9z s ASN 38 Ca 0.28 0.94 -0.08 0.00 -0.71 0.00 0.00 52.86 53.28 2k9z s ASN 38 Cb 0.01 -2.53 0.13 0.00 0.41 0.00 0.00 41.25 39.26 2k9z s ASN 38 CO 0.12 -1.80 0.36 -0.70 -1.51 0.00 0.00 177.10 173.57 2k9z s GLU 39 N 5.82 2.48 0.51 -0.60 2.12 -1.04 -1.88 118.70 126.11 2k9z s GLU 39 Ca 0.72 -1.86 -0.21 0.00 0.36 0.00 0.00 54.97 53.98 2k9z s GLU 39 Cb -0.18 -3.90 -0.06 0.00 0.26 0.00 0.00 34.13 30.25 2k9z s GLU 39 CO 0.30 -1.19 1.17 0.99 -0.54 0.00 0.00 175.26 175.99 2k9z s THR 40 N 1.18 3.01 0.08 -1.70 2.01 -0.47 -1.07 115.64 118.69 2k9z s THR 40 Ca 0.07 0.70 -0.09 0.00 0.31 0.00 0.00 61.69 62.69 2k9z s THR 40 Cb -0.25 -3.32 -0.00 0.00 0.01 0.00 0.00 72.50 68.94 2k9z s THR 40 CO -0.02 -0.07 0.18 0.00 -0.69 0.00 0.00 174.62 174.03 2k9z s TYR 42 N -3.74 1.84 -0.38 0.00 5.04 0.10 -0.50 117.35 119.71 2k9z s TYR 42 Ca 0.04 -0.83 -0.13 0.00 -2.44 0.00 0.00 57.07 53.70 2k9z s TYR 42 Cb 0.04 -1.34 0.01 0.00 0.35 0.00 0.00 41.96 41.02 2k9z s TYR 42 CO -0.10 -0.44 0.25 0.42 -1.34 0.00 0.00 175.55 174.34 2k9z s ILE 43 N 0.96 5.07 -0.09 3.14 -1.09 -0.36 -1.44 121.20 127.39 2k9z s ILE 43 Ca -0.08 -0.58 0.14 0.00 -2.23 0.00 0.00 60.65 57.91 2k9z s ILE 43 Cb -0.15 -3.75 -0.23 0.00 -1.58 0.00 0.00 42.46 36.75 2k9z s ILE 43 CO -0.01 -0.19 0.50 0.18 -1.23 0.00 0.00 174.94 174.19 2k9z n LEU 44 N 5.10 0.61 -3.70 2.97 4.32 -1.21 -1.64 117.00 123.44 2k9z n LEU 44 Ca -0.12 0.29 -0.09 0.00 -0.02 0.00 0.00 56.01 56.07 2k9z n LEU 44 Cb 0.48 0.26 -0.02 0.00 -1.62 0.00 0.00 43.42 42.51 2k9z n LEU 44 CO 0.38 0.40 0.42 -1.83 -1.22 0.00 0.00 177.39 175.54 2k9z s GLU 45 N -2.60 1.57 0.10 3.23 -1.05 -1.20 -4.77 118.70 113.98 2k9z s GLU 45 Ca -0.06 -0.81 0.00 0.00 -0.15 0.00 0.00 54.97 53.95 2k9z s GLU 45 Cb 0.07 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.36 2k9z s GLU 45 CO 0.83 -0.70 0.00 0.41 0.95 0.00 0.00 175.26 176.74 2k9z n GLY 46 N -0.42 -2.54 3.20 -3.83 0.00 -1.26 -3.17 105.19 97.17 2k9z n GLY 46 Ca -0.09 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.88 0.45 0.02 1.61 2.36 -1.21 -2.31 119.74 119.78 2k9z s LYS 47 Ca 0.00 0.22 0.00 0.00 -2.55 0.00 0.00 55.97 53.65 2k9z s LYS 47 Cb 0.00 0.21 -0.02 0.00 -1.05 0.00 0.00 37.83 36.97 2k9z s LYS 47 CO 0.00 -0.08 -0.04 0.08 1.55 0.00 0.00 175.35 176.86 2k9z s VAL 48 N -0.31 0.19 -0.60 4.02 1.01 -1.14 -1.03 120.40 122.53 2k9z s VAL 48 Ca -0.04 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2k9z s VAL 48 Cb -0.03 -0.31 0.15 0.00 0.00 0.00 0.00 36.38 36.18 2k9z s VAL 48 CO 0.01 -0.44 0.38 -1.61 0.00 0.00 0.00 175.10 173.44 2k9z s GLU 49 N -1.37 2.31 0.36 2.72 2.02 -0.06 -2.51 118.70 122.17 2k9z s GLU 49 Ca -0.14 -2.71 -0.26 0.00 0.02 0.00 0.00 54.97 51.89 2k9z s GLU 49 Cb -0.09 -3.51 -0.09 0.00 0.10 0.00 0.00 34.13 30.54 2k9z s GLU 49 CO -0.01 -1.16 1.05 0.08 0.02 0.00 0.00 175.26 175.24 2k9z s VAL 50 N -0.40 3.73 -0.16 2.63 1.01 -0.05 -2.29 120.40 124.86 2k9z s VAL 50 Ca 0.18 1.43 -0.04 0.00 0.00 0.00 0.00 61.98 63.55 2k9z s VAL 50 Cb -0.21 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.46 2k9z s VAL 50 CO -0.03 0.11 0.23 -0.89 0.00 0.00 0.00 175.10 174.52 2k9z s THR 51 N -1.54 -0.36 0.90 3.92 2.01 -1.06 -0.12 115.64 119.40 2k9z s THR 51 Ca 0.54 0.10 -0.11 0.00 0.31 0.00 0.00 61.69 62.53 2k9z s THR 51 Cb -0.24 -0.54 0.13 0.00 0.01 0.00 0.00 72.50 71.86 2k9z s THR 51 CO 0.30 -0.03 1.10 0.42 -0.69 0.00 0.00 174.62 175.72 2k9z s THR 52 N 2.36 2.57 0.06 -0.82 -4.23 -0.45 -0.47 115.64 114.67 2k9z s THR 52 Ca 0.05 0.19 0.28 0.00 -1.18 0.00 0.00 61.69 61.02 2k9z s THR 52 Cb -0.14 -2.47 0.31 0.00 1.34 0.00 0.00 72.50 71.54 2k9z s THR 52 CO -0.10 -0.24 1.87 1.05 -0.54 0.00 0.00 174.62 176.65 2k9z h GLU 53 N -1.67 0.00 -0.99 3.99 -0.00 -1.91 -0.73 114.58 113.26 2k9z h GLU 53 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.89 2k9z h GLU 53 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.02 2k9z h GLU 53 CO 0.49 0.11 0.00 -3.47 -0.00 0.00 0.00 179.01 176.14 2k9z n ASP 54 N -3.23 1.50 0.00 3.06 2.03 -1.26 -4.89 116.55 113.76 2k9z n ASP 54 Ca 0.01 -1.95 0.00 0.00 0.52 0.00 0.00 54.79 53.37 2k9z n ASP 54 Cb 0.39 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.15 1.29 3.60 0.27 0.00 -0.28 -4.92 105.19 105.29 2k9z n GLY 55 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.17 3.36 -0.00 1.61 1.02 -1.26 -4.71 119.74 119.59 2k9z s LYS 56 Ca 0.00 1.55 -0.22 0.00 0.02 0.00 0.00 55.97 57.32 2k9z s LYS 56 Cb 0.00 -4.21 -0.05 0.00 -0.52 0.00 0.00 37.83 33.05 2k9z s LYS 56 CO 0.00 -1.83 0.64 0.15 -0.92 0.00 0.00 175.35 173.39 2k9z s LYS 57 N 5.65 4.38 -0.49 1.68 1.02 -1.26 -1.34 119.74 129.38 2k9z s LYS 57 Ca 0.82 0.82 0.03 0.00 0.02 0.00 0.00 55.97 57.66 2k9z s LYS 57 Cb -0.24 -3.36 0.15 0.00 -0.52 0.00 0.00 37.83 33.86 2k9z s LYS 57 CO 0.34 0.30 0.33 0.71 -0.92 0.00 0.00 175.35 176.11 2k9z s TYR 58 N -0.01 2.09 0.29 3.18 2.02 0.83 -4.99 117.35 120.75 2k9z s TYR 58 Ca 0.33 -2.59 -0.30 0.00 -0.37 0.00 0.00 57.07 54.14 2k9z s TYR 58 Cb -0.19 -1.80 -0.12 0.00 -0.40 0.00 0.00 41.96 39.45 2k9z s TYR 58 CO 0.18 -0.74 1.45 1.55 -1.57 0.00 0.00 175.55 176.42 2k9z n VAL 59 N 3.00 1.27 -3.85 0.71 3.14 -1.26 -0.87 118.33 120.47 2k9z n VAL 59 Ca 0.17 -0.32 -0.15 0.00 -2.96 0.00 0.00 64.34 61.08 2k9z n VAL 59 Cb 0.38 -1.69 -0.15 0.00 -1.06 0.00 0.00 33.84 31.32 2k9z n VAL 59 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 2k9z s ILE 60 N -0.34 0.03 0.53 1.55 -4.36 -1.04 -4.95 121.20 112.62 2k9z s ILE 60 Ca 0.63 0.11 -0.02 0.00 -0.26 0.00 0.00 60.65 61.11 2k9z s ILE 60 Cb -0.57 -0.12 0.11 0.00 1.25 0.00 0.00 42.46 43.13 2k9z s ILE 60 CO 0.53 0.08 0.73 -0.62 0.24 0.00 0.00 174.94 175.90 2k9z n GLU 61 N 3.84 -0.05 -2.00 0.37 4.71 -1.26 -2.89 120.64 123.36 2k9z n GLU 61 Ca -0.23 -1.81 -0.42 0.00 -0.01 0.00 0.00 57.16 54.69 2k9z n GLU 61 Cb 0.53 -0.54 -0.03 0.00 -1.01 0.00 0.00 31.44 30.39 2k9z n GLU 61 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 2k9z s LYS 62 N -4.39 4.23 0.00 3.49 -2.85 -0.98 -3.91 119.74 115.34 2k9z s LYS 62 Ca 0.47 2.25 0.00 0.00 -1.00 0.00 0.00 55.97 57.68 2k9z s LYS 62 Cb -0.02 -3.50 0.00 0.00 -2.06 0.00 0.00 37.83 32.24 2k9z s LYS 62 CO 0.31 -0.66 0.00 0.41 0.10 0.00 0.00 175.35 175.51 2k9z n GLY 63 N 3.86 1.63 3.39 0.59 0.00 -0.65 -4.97 105.19 109.03 2k9z n GLY 63 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 3.32 0.01 1.61 1.11 -1.25 -4.71 116.67 114.77 2k9z s ASP 64 Ca 0.00 -0.72 0.02 0.00 0.18 0.00 0.00 52.55 52.03 2k9z s ASP 64 Cb 0.00 -0.24 -0.04 0.00 1.07 0.00 0.00 42.92 43.71 2k9z s ASP 64 CO 0.00 0.19 -0.02 -0.22 1.18 0.00 0.00 175.17 176.29 2k9z s LEU 65 N -1.96 3.38 0.11 1.23 2.96 -0.35 -1.22 118.68 122.83 2k9z s LEU 65 Ca 0.14 -0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 2k9z s LEU 65 Cb -0.10 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 2k9z s LEU 65 CO 0.06 0.27 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.53 2k9z s VAL 66 N -1.08 1.22 -0.21 1.68 1.01 0.34 -1.62 120.40 121.75 2k9z s VAL 66 Ca 0.19 -1.63 -0.03 0.00 0.00 0.00 0.00 61.98 60.51 2k9z s VAL 66 Cb -0.11 -1.42 0.07 0.00 0.00 0.00 0.00 36.38 34.91 2k9z s VAL 66 CO 0.10 -0.41 0.05 -0.89 0.00 0.00 0.00 175.10 173.96 2k9z s THR 67 N -2.04 0.45 0.51 3.92 2.01 -0.37 -0.94 115.64 119.18 2k9z s THR 67 Ca 0.06 -0.60 -0.17 0.00 0.31 0.00 0.00 61.69 61.29 2k9z s THR 67 Cb -0.05 -1.03 -0.08 0.00 0.01 0.00 0.00 72.50 71.35 2k9z s THR 67 CO 0.02 -0.29 0.99 -0.36 -0.69 0.00 0.00 174.62 174.30 2k9z s PHE 68 N 1.89 3.35 0.99 4.92 0.08 -0.24 -1.36 117.98 127.61 2k9z s PHE 68 Ca 0.01 1.50 -0.13 0.00 0.12 0.00 0.00 56.93 58.43 2k9z s PHE 68 Cb -0.17 -2.84 0.18 0.00 -0.57 0.00 0.00 43.02 39.62 2k9z s PHE 68 CO -0.11 -0.44 1.13 -1.25 -0.10 0.00 0.00 175.22 174.44 2k9z s PRO 69 N -3.88 0.51 -0.54 0.24 0.04 -1.15 -2.50 135.00 127.72 2k9z s PRO 69 Ca 0.60 0.27 -0.28 0.00 0.04 0.00 0.00 61.00 61.64 2k9z s PRO 69 Cb -0.11 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.69 2k9z s PRO 69 CO 0.28 -2.62 1.29 0.21 0.04 0.00 0.00 177.00 176.21 2k9z s LYS 70 N -5.22 3.47 0.00 4.56 2.20 -1.25 -4.38 119.74 119.12 2k9z s LYS 70 Ca 0.66 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.71 2k9z s LYS 70 Cb -0.15 -4.04 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 2k9z s LYS 70 CO 0.55 -1.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.22 2k9z n GLY 71 N 5.11 0.81 3.01 5.54 0.00 0.47 -4.88 105.19 115.25 2k9z n GLY 71 Ca 0.11 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 2.16 -0.03 0.99 2.96 -0.03 -5.00 118.68 119.74 2k9z s LEU 72 Ca 0.00 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 2k9z s LEU 72 Cb 0.00 0.19 0.01 0.00 0.50 0.00 0.00 46.19 46.89 2k9z s LEU 72 CO 0.00 -0.34 -0.07 0.00 -1.32 0.00 0.00 176.35 174.62 2k9z s ARG 73 N -1.67 0.87 0.22 1.98 3.03 -1.26 -0.88 118.95 121.23 2k9z s ARG 73 Ca -0.14 -0.23 -0.22 0.00 2.03 0.00 0.00 55.73 57.18 2k9z s ARG 73 Cb -0.08 -0.82 0.04 0.00 -1.03 0.00 0.00 34.95 33.06 2k9z s ARG 73 CO -0.01 0.05 0.64 0.00 -1.13 0.00 0.00 175.30 174.85 2k9z s ARG 75 N -3.84 0.93 -0.25 0.00 6.06 0.39 -0.64 118.95 121.61 2k9z s ARG 75 Ca 0.06 1.01 -0.03 0.00 -2.50 0.00 0.00 55.73 54.27 2k9z s ARG 75 Cb -0.03 -1.76 0.11 0.00 0.06 0.00 0.00 34.95 33.33 2k9z s ARG 75 CO -0.03 -2.52 0.22 -1.58 -2.50 0.00 0.00 175.30 168.89 2k9z s TRP 76 N -2.79 -0.18 -0.38 5.12 0.52 -0.57 -2.57 118.94 118.09 2k9z s TRP 76 Ca 0.65 -0.16 -0.13 0.00 0.02 0.00 0.00 56.10 56.47 2k9z s TRP 76 Cb -0.20 -0.53 0.02 0.00 -1.15 0.00 0.00 33.47 31.61 2k9z s TRP 76 CO 0.58 -0.74 0.25 0.21 0.02 0.00 0.00 176.95 177.27 2k9z s LYS 77 N 2.28 3.02 -0.07 4.98 2.20 -0.97 -1.56 119.74 129.63 2k9z s LYS 77 Ca 0.08 -0.96 -0.30 0.00 -0.36 0.00 0.00 55.97 54.43 2k9z s LYS 77 Cb -0.15 -3.84 -0.02 0.00 -1.51 0.00 0.00 37.83 32.31 2k9z s LYS 77 CO -0.23 -0.66 1.10 0.08 -0.36 0.00 0.00 175.35 175.28 2k9z s VAL 78 N 1.64 4.51 -0.35 4.02 1.01 -1.26 -0.88 120.40 129.09 2k9z s VAL 78 Ca 0.04 1.81 0.18 0.00 0.00 0.00 0.00 61.98 64.01 2k9z s VAL 78 Cb -0.19 -4.16 -0.25 0.00 0.00 0.00 0.00 36.38 31.78 2k9z s VAL 78 CO 0.09 0.02 0.55 0.18 0.00 0.00 0.00 175.10 175.93 2k9z n LEU 79 N 4.97 0.33 -3.79 3.92 4.77 -0.20 -4.67 117.00 122.33 2k9z n LEU 79 Ca 0.10 -0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 55.75 2k9z n LEU 79 Cb 0.48 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 2k9z n LEU 79 CO 0.54 0.08 -0.05 -1.61 -1.33 0.00 0.00 177.39 175.02 2k9z s GLU 80 N -3.06 0.45 -0.50 3.23 2.02 -0.82 -4.86 118.70 115.16 2k9z s GLU 80 Ca -0.01 0.10 -0.26 0.00 0.02 0.00 0.00 54.97 54.81 2k9z s GLU 80 Cb 0.13 0.21 -0.06 0.00 0.10 0.00 0.00 34.13 34.50 2k9z s GLU 80 CO 0.76 -0.09 2.30 -1.25 0.02 0.00 0.00 175.26 177.00 2k9z s PRO 81 N -0.52 2.23 0.68 0.39 0.04 -1.26 -3.28 135.00 133.28 2k9z s PRO 81 Ca -0.06 1.28 -0.14 0.00 0.04 0.00 0.00 61.00 62.12 2k9z s PRO 81 Cb -0.04 -4.54 0.01 0.00 0.04 0.00 0.00 34.50 29.97 2k9z s PRO 81 CO 0.02 -3.14 1.10 0.54 0.04 0.00 0.00 177.00 175.56 2k9z s VAL 82 N 11.50 3.37 -0.17 -0.36 0.11 -1.26 -4.43 120.40 129.16 2k9z s VAL 82 Ca 0.92 0.58 -0.05 0.00 -2.93 0.00 0.00 61.98 60.50 2k9z s VAL 82 Cb -0.17 -3.10 0.06 0.00 -1.53 0.00 0.00 36.38 31.64 2k9z s VAL 82 CO 0.25 -0.45 0.09 -0.60 -3.33 0.00 0.00 175.10 171.06 2k9z s ARG 83 N -4.34 0.06 0.05 1.54 3.52 -1.19 -3.42 118.95 115.16 2k9z s ARG 83 Ca 0.65 -0.07 0.04 0.00 -0.13 0.00 0.00 55.73 56.22 2k9z s ARG 83 Cb -0.19 -1.80 -0.02 0.00 -1.56 0.00 0.00 34.95 31.37 2k9z s ARG 83 CO 0.45 -0.66 -0.12 -1.59 -0.81 0.00 0.00 175.30 172.57 2k9z s LYS 84 N 2.14 0.75 -0.61 5.12 0.00 -0.92 -3.26 119.74 122.95 2k9z s LYS 84 Ca 0.02 -0.81 -0.21 0.00 0.00 0.00 0.00 55.97 54.97 2k9z s LYS 84 Cb -0.16 -0.70 0.08 0.00 0.00 0.00 0.00 37.83 37.05 2k9z s LYS 84 CO -0.09 0.16 0.85 -1.01 0.00 0.00 0.00 175.35 175.26 2k9z s HIS 85 N -1.12 2.82 0.40 1.78 3.76 -0.52 -2.48 115.29 119.92 2k9z s HIS 85 Ca -0.03 -0.63 -0.03 0.00 -0.15 0.00 0.00 55.06 54.22 2k9z s HIS 85 Cb -0.09 -4.12 -0.04 0.00 1.11 0.00 0.00 32.58 29.45 2k9z s HIS 85 CO 0.01 -1.46 0.65 1.52 -0.85 0.00 0.00 174.74 174.62 2k9z s TYR 86 N 3.50 3.52 -0.18 1.40 1.13 -1.25 -0.73 117.35 124.74 2k9z s TYR 86 Ca 0.19 0.60 -0.18 0.00 -1.41 0.00 0.00 57.07 56.27 2k9z s TYR 86 Cb -0.19 -2.11 0.05 0.00 -1.10 0.00 0.00 41.96 38.61 2k9z s TYR 86 CO 0.10 -0.04 0.50 1.21 -2.51 0.00 0.00 175.55 174.81 2k9z s ASN 87 N -3.93 -0.52 0.65 -0.18 2.47 0.14 -4.11 114.94 109.47 2k9z s ASN 87 Ca 0.44 0.96 -0.08 0.00 0.42 0.00 0.00 52.86 54.61 2k9z s ASN 87 Cb -0.10 0.98 0.02 0.00 -1.45 0.00 0.00 41.25 40.70 2k9z s ASN 87 CO 0.39 -0.20 0.98 -0.76 -3.72 0.00 0.00 177.10 173.79 2k9z s LEU 88 N 0.14 3.04 0.00 3.21 1.43 -1.26 -1.36 118.68 123.88 2k9z s LEU 88 Ca -0.01 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 2k9z s LEU 88 Cb -0.03 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.64 2k9z s LEU 88 CO 0.01 -1.27 0.00 2.22 0.23 0.00 0.00 176.35 177.54