#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 1.78 0.17 0.03 2.12 -1.26 -4.98 118.70 116.55 2k9z s GLU 2 Ca 0.00 -1.30 -0.30 0.00 0.36 0.00 0.00 54.97 53.73 2k9z s GLU 2 Cb 0.00 0.52 -0.07 0.00 0.26 0.00 0.00 34.13 34.84 2k9z s GLU 2 CO 0.00 -0.78 1.02 0.08 -0.54 0.00 0.00 175.26 175.05 2k9z s VAL 3 N -3.55 4.12 -0.57 3.70 1.01 -1.26 -4.15 120.40 119.70 2k9z s VAL 3 Ca 0.20 1.86 -0.01 0.00 0.00 0.00 0.00 61.98 64.04 2k9z s VAL 3 Cb -0.03 -4.19 0.15 0.00 0.00 0.00 0.00 36.38 32.31 2k9z s VAL 3 CO 0.11 0.33 0.35 -0.75 0.00 0.00 0.00 175.10 175.15 2k9z s LYS 4 N -0.41 2.31 0.10 2.72 2.20 -0.57 -5.04 119.74 121.05 2k9z s LYS 4 Ca 0.47 -2.48 -0.21 0.00 -0.36 0.00 0.00 55.97 53.39 2k9z s LYS 4 Cb -0.27 -3.58 -0.07 0.00 -1.51 0.00 0.00 37.83 32.40 2k9z s LYS 4 CO 0.33 -1.14 0.63 0.42 -0.36 0.00 0.00 175.35 175.23 2k9z s ILE 5 N -0.00 4.64 0.28 5.43 1.01 -1.26 -1.28 121.20 130.01 2k9z s ILE 5 Ca 0.16 1.36 -0.14 0.00 0.00 0.00 0.00 60.65 62.03 2k9z s ILE 5 Cb -0.22 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.29 2k9z s ILE 5 CO -0.03 0.54 0.56 -1.83 0.00 0.00 0.00 174.94 174.19 2k9z s GLU 6 N -1.08 1.71 -0.58 2.79 -1.05 -0.93 -4.95 118.70 114.61 2k9z s GLU 6 Ca 0.31 -1.27 0.06 0.00 -0.15 0.00 0.00 54.97 53.92 2k9z s GLU 6 Cb -0.20 0.51 0.20 0.00 -0.44 0.00 0.00 34.13 34.20 2k9z s GLU 6 CO 0.21 -0.74 0.54 1.63 0.95 0.00 0.00 175.26 177.85 2k9z n LYS 7 N -0.43 1.54 -0.98 -4.83 4.01 -1.26 -0.00 118.16 116.20 2k9z n LYS 7 Ca -0.03 -4.10 -0.29 0.00 -0.51 0.00 0.00 58.31 53.39 2k9z n LYS 7 Cb 0.61 -2.00 0.22 0.00 -0.51 0.00 0.00 35.03 33.35 2k9z n LYS 7 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2k9z s PRO 8 N -1.41 -0.51 0.44 1.97 0.04 -1.26 -5.00 135.00 129.27 2k9z s PRO 8 Ca 0.32 0.39 -0.24 0.00 0.04 0.00 0.00 61.00 61.50 2k9z s PRO 8 Cb 0.06 -1.64 -0.08 0.00 0.04 0.00 0.00 34.50 32.88 2k9z s PRO 8 CO -0.12 -3.33 1.27 -0.08 0.04 0.00 0.00 177.00 174.77 2k9z s THR 9 N -2.84 2.68 0.36 1.26 -1.32 -1.26 -4.94 115.64 109.58 2k9z s THR 9 Ca 0.68 0.57 0.25 0.00 -1.21 0.00 0.00 61.69 61.98 2k9z s THR 9 Cb -0.17 -3.31 0.27 0.00 -1.51 0.00 0.00 72.50 67.77 2k9z s THR 9 CO 0.59 0.05 2.01 1.55 -2.21 0.00 0.00 174.62 176.60 2k9z h PRO 10 N 2.31 0.00 0.49 7.08 0.13 -1.98 -3.19 132.00 136.84 2k9z h PRO 10 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2k9z h PRO 10 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k9z h PRO 10 CO 0.61 0.16 -0.23 0.93 -0.23 0.00 0.00 178.00 179.23 2k9z h GLU 11 N 0.00 -0.63 -0.94 0.86 5.08 -2.01 -2.43 114.58 114.50 2k9z h GLU 11 Ca -0.00 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.56 2k9z h GLU 11 Cb 0.43 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 2k9z h GLU 11 CO 0.02 -0.39 0.60 -0.22 -1.00 0.00 0.00 179.01 178.02 2k9z h LYS 12 N -0.72 0.72 0.00 2.33 3.64 -1.96 -1.54 116.57 119.05 2k9z h LYS 12 Ca -0.07 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 2k9z h LYS 12 Cb 0.53 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2k9z h LYS 12 CO 0.11 0.48 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.57 2k9z h LEU 13 N 0.75 0.00 -0.08 5.20 -0.00 -1.46 -1.31 115.31 118.41 2k9z h LEU 13 Ca 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.36 2k9z h LEU 13 Cb 0.76 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.42 2k9z h LEU 13 CO -0.25 0.13 0.02 0.11 -0.00 0.00 0.00 178.44 178.44 2k9z h LYS 14 N 0.00 0.13 -0.48 1.13 6.56 -0.85 -3.34 116.57 119.71 2k9z h LYS 14 Ca -0.00 -0.03 -0.09 0.00 -1.06 0.00 0.00 60.65 59.46 2k9z h LYS 14 Cb 0.67 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.30 2k9z h LYS 14 CO 0.02 0.33 -0.07 0.93 -2.06 0.00 0.00 179.45 178.60 2k9z h GLU 15 N -0.10 0.86 0.00 3.15 5.08 -1.23 -0.57 114.58 121.77 2k9z h GLU 15 Ca 0.02 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2k9z h GLU 15 Cb 0.27 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2k9z h GLU 15 CO 0.00 0.91 0.13 1.28 -1.00 0.00 0.00 179.01 180.33 2k9z n LEU 16 N -4.17 0.19 -2.94 1.33 4.77 -0.72 -4.81 117.00 110.65 2k9z n LEU 16 Ca 0.02 0.50 -0.19 0.00 -0.03 0.00 0.00 56.01 56.31 2k9z n LEU 16 Cb 0.36 -0.50 0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2k9z n LEU 16 CO 0.43 -0.57 0.18 -1.20 -1.33 0.00 0.00 177.39 174.91 2k9z n SER 17 N -1.71 -5.51 -0.23 -1.43 7.64 -0.22 -4.91 113.62 107.25 2k9z n SER 17 Ca -0.00 -0.41 0.15 0.00 1.01 0.00 0.00 58.87 59.61 2k9z n SER 17 Cb 0.15 -4.13 0.45 0.00 -1.01 0.00 0.00 64.21 59.67 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 -2.09 0.78 0.00 0.44 2.07 -1.74 0.11 116.25 115.83 2k9z h VAL 18 Ca -0.45 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2k9z h VAL 18 Cb 1.30 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2k9z h VAL 18 CO 0.45 0.10 0.00 -1.84 0.02 0.00 0.00 177.57 176.30 2k9z n GLU 19 N -4.52 0.06 0.00 1.57 0.28 -1.26 -1.15 120.64 115.62 2k9z n GLU 19 Ca 0.17 0.52 0.09 0.00 -0.16 0.00 0.00 57.16 57.79 2k9z n GLU 19 Cb 0.55 -1.69 0.02 0.00 1.43 0.00 0.00 31.44 31.75 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 -1.81 1.54 -1.89 3.44 5.02 0.39 -4.97 118.16 119.89 2k9z n LYS 20 Ca -0.00 -1.07 -0.30 0.00 -2.02 0.00 0.00 58.31 54.92 2k9z n LYS 20 Cb 0.04 -1.37 0.05 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.06 3.27 0.24 2.13 0.52 -0.30 -5.04 118.94 117.71 2k9z s TRP 21 Ca 0.17 1.01 -0.30 0.00 0.02 0.00 0.00 56.10 57.00 2k9z s TRP 21 Cb 0.16 -3.13 -0.09 0.00 -1.15 0.00 0.00 33.47 29.25 2k9z s TRP 21 CO 0.43 -1.27 1.32 -1.25 0.02 0.00 0.00 176.95 176.21 2k9z s PRO 22 N -5.39 4.38 0.47 4.98 0.04 -1.25 -4.94 135.00 133.28 2k9z s PRO 22 Ca 0.59 2.12 -0.21 0.00 0.04 0.00 0.00 61.00 63.54 2k9z s PRO 22 Cb -0.11 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.19 2k9z s PRO 22 CO 0.51 -0.24 1.02 0.42 0.04 0.00 0.00 177.00 178.75 2k9z s ILE 23 N -0.27 3.92 -0.01 0.56 1.01 -1.26 -2.57 121.20 122.56 2k9z s ILE 23 Ca 0.55 1.21 -0.09 0.00 0.00 0.00 0.00 60.65 62.32 2k9z s ILE 23 Cb -0.38 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.60 2k9z s ILE 23 CO 0.43 -0.24 0.19 0.86 0.00 0.00 0.00 174.94 176.18 2k9z s TRP 24 N -2.00 -0.06 0.12 3.97 -0.00 -0.95 -4.93 118.94 115.09 2k9z s TRP 24 Ca 0.65 0.07 0.00 0.00 -0.00 0.00 0.00 56.10 56.83 2k9z s TRP 24 Cb -0.15 0.01 -0.04 0.00 -0.00 0.00 0.00 33.47 33.28 2k9z s TRP 24 CO 0.19 -0.29 0.01 -1.21 -0.00 0.00 0.00 176.95 175.65 2k9z s GLU 25 N -1.16 0.89 0.08 5.86 8.01 -1.26 -2.29 118.70 128.84 2k9z s GLU 25 Ca -0.12 -1.40 -0.08 0.00 0.01 0.00 0.00 54.97 53.38 2k9z s GLU 25 Cb -0.06 0.04 -0.01 0.00 -4.31 0.00 0.00 34.13 29.79 2k9z s GLU 25 CO 0.02 -0.16 0.16 0.15 0.01 0.00 0.00 175.26 175.44 2k9z s LYS 26 N -3.96 0.80 1.28 1.61 -0.14 -1.19 -5.03 119.74 113.11 2k9z s LYS 26 Ca 0.19 -0.98 -0.17 0.00 -1.36 0.00 0.00 55.97 53.65 2k9z s LYS 26 Cb 0.07 0.32 0.32 0.00 -1.68 0.00 0.00 37.83 36.86 2k9z s LYS 26 CO -0.01 -0.24 0.99 -1.83 -0.76 0.00 0.00 175.35 173.49 2k9z s GLU 27 N -3.80 -1.86 -0.29 1.68 -1.05 -1.26 -4.21 118.70 107.92 2k9z s GLU 27 Ca 0.05 0.47 0.01 0.00 -0.15 0.00 0.00 54.97 55.35 2k9z s GLU 27 Cb 0.05 -1.47 0.32 0.00 -0.44 0.00 0.00 34.13 32.58 2k9z s GLU 27 CO -0.11 -4.25 1.69 0.28 0.95 0.00 0.00 175.26 173.82 2k9z n VAL 28 N -5.24 2.45 -3.64 1.83 0.31 -1.26 -4.76 118.33 108.02 2k9z n VAL 28 Ca 0.07 -1.32 -0.23 0.00 -0.01 0.00 0.00 64.34 62.85 2k9z n VAL 28 Cb 0.57 -0.94 0.02 0.00 -0.91 0.00 0.00 33.84 32.58 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 -0.17 2.46 -4.24 4.52 2.88 -1.24 -4.79 113.62 113.04 2k9z n SER 29 Ca 0.33 -2.68 -0.26 0.00 -1.33 0.00 0.00 58.87 54.94 2k9z n SER 29 Cb 0.93 -0.13 -0.14 0.00 -0.75 0.00 0.00 64.21 64.12 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 -4.19 1.42 0.00 -1.46 -1.05 -1.26 -2.24 118.70 109.91 2k9z s GLU 30 Ca 0.36 -0.89 0.00 0.00 -0.15 0.00 0.00 54.97 54.29 2k9z s GLU 30 Cb -0.03 -1.50 0.00 0.00 -0.44 0.00 0.00 34.13 32.16 2k9z s GLU 30 CO 0.23 0.39 0.00 1.97 0.95 0.00 0.00 175.26 178.80 2k9z n PHE 31 N 1.98 -0.41 -4.16 4.83 1.16 -0.19 -5.01 117.46 115.66 2k9z n PHE 31 Ca -0.17 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.24 2k9z n PHE 31 Cb 0.53 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.28 2k9z n PHE 31 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2k9z s ASP 32 N 0.43 1.58 0.01 5.98 -1.08 -1.26 -0.61 116.67 121.72 2k9z s ASP 32 Ca 0.00 -0.62 0.03 0.00 -0.52 0.00 0.00 52.55 51.44 2k9z s ASP 32 Cb 0.00 -0.04 -0.01 0.00 -1.46 0.00 0.00 42.92 41.41 2k9z s ASP 32 CO 0.00 -0.10 -0.08 0.86 0.52 0.00 0.00 175.17 176.37 2k9z s TRP 33 N -1.33 0.75 -0.21 -5.34 -0.11 -0.60 -4.84 118.94 107.25 2k9z s TRP 33 Ca -0.03 -0.22 -0.06 0.00 1.22 0.00 0.00 56.10 57.01 2k9z s TRP 33 Cb -0.10 -0.47 -0.03 0.00 -1.50 0.00 0.00 33.47 31.38 2k9z s TRP 33 CO 0.02 -0.02 0.03 -0.47 -4.62 0.00 0.00 176.95 171.90 2k9z s TYR 34 N -0.47 3.10 -0.42 5.86 6.14 -1.26 -2.32 117.35 127.97 2k9z s TYR 34 Ca 0.01 -0.30 -0.12 0.00 0.64 0.00 0.00 57.07 57.30 2k9z s TYR 34 Cb -0.05 -2.11 0.06 0.00 0.42 0.00 0.00 41.96 40.28 2k9z s TYR 34 CO 0.00 -0.16 0.29 0.71 0.64 0.00 0.00 175.55 177.03 2k9z s TYR 35 N 0.96 3.28 -0.52 4.97 2.02 0.14 -4.94 117.35 123.26 2k9z s TYR 35 Ca 0.03 -1.13 0.16 0.00 -0.37 0.00 0.00 57.07 55.75 2k9z s TYR 35 Cb -0.14 -2.84 0.68 0.00 -0.40 0.00 0.00 41.96 39.25 2k9z s TYR 35 CO 0.02 -0.76 1.59 -3.47 -1.57 0.00 0.00 175.55 171.37 2k9z n ASP 36 N 5.04 4.76 -3.94 2.29 2.03 -1.26 -0.57 116.55 124.89 2k9z n ASP 36 Ca -0.11 -2.76 -0.09 0.00 0.52 0.00 0.00 54.79 52.35 2k9z n ASP 36 Cb 0.44 -0.58 -0.05 0.00 -0.72 0.00 0.00 41.12 40.21 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 -2.40 0.02 0.09 5.18 -4.23 -1.26 -4.44 115.64 108.59 2k9z s THR 37 Ca 0.48 -1.28 -0.31 0.00 -1.18 0.00 0.00 61.69 59.40 2k9z s THR 37 Cb 0.35 -2.02 -0.09 0.00 1.34 0.00 0.00 72.50 72.08 2k9z s THR 37 CO 0.16 -0.08 1.73 0.20 -0.54 0.00 0.00 174.62 176.10 2k9z s ASN 38 N -2.98 6.53 -0.18 3.99 0.01 -1.26 -4.36 114.94 116.69 2k9z s ASN 38 Ca 0.19 2.60 -0.05 0.00 -0.71 0.00 0.00 52.86 54.89 2k9z s ASN 38 Cb -0.00 -2.56 0.07 0.00 0.41 0.00 0.00 41.25 39.16 2k9z s ASN 38 CO 0.05 -0.94 0.10 -0.70 -1.51 0.00 0.00 177.10 174.11 2k9z s GLU 39 N 2.75 0.08 0.41 -0.60 2.12 -1.12 -2.21 118.70 120.14 2k9z s GLU 39 Ca 0.77 -0.08 -0.22 0.00 0.36 0.00 0.00 54.97 55.79 2k9z s GLU 39 Cb -0.42 -1.73 -0.10 0.00 0.26 0.00 0.00 34.13 32.14 2k9z s GLU 39 CO 0.34 -0.69 0.99 0.99 -0.54 0.00 0.00 175.26 176.35 2k9z s THR 40 N 2.15 4.07 -0.00 -1.70 2.01 -1.08 -0.90 115.64 120.19 2k9z s THR 40 Ca 0.03 1.43 -0.04 0.00 0.31 0.00 0.00 61.69 63.42 2k9z s THR 40 Cb -0.16 -3.66 -0.00 0.00 0.01 0.00 0.00 72.50 68.68 2k9z s THR 40 CO -0.11 -0.14 0.08 0.00 -0.69 0.00 0.00 174.62 173.76 2k9z s TYR 42 N -1.03 3.01 -0.12 0.00 5.04 -0.12 -2.26 117.35 121.87 2k9z s TYR 42 Ca -0.11 -0.37 -0.19 0.00 -2.44 0.00 0.00 57.07 53.96 2k9z s TYR 42 Cb -0.06 -1.98 -0.04 0.00 0.35 0.00 0.00 41.96 40.23 2k9z s TYR 42 CO 0.00 -0.10 0.52 0.42 -1.34 0.00 0.00 175.55 175.06 2k9z s ILE 43 N 0.50 5.15 -0.13 3.14 -1.09 -0.74 -1.65 121.20 126.37 2k9z s ILE 43 Ca -0.03 1.05 0.04 0.00 -2.23 0.00 0.00 60.65 59.47 2k9z s ILE 43 Cb -0.14 -3.86 -0.11 0.00 -1.58 0.00 0.00 42.46 36.77 2k9z s ILE 43 CO 0.03 0.29 -0.08 0.18 -1.23 0.00 0.00 174.94 174.13 2k9z n LEU 44 N 3.83 2.15 -3.50 2.97 7.99 -1.26 -1.68 117.00 127.50 2k9z n LEU 44 Ca -0.06 -0.06 -0.10 0.00 -0.01 0.00 0.00 56.01 55.79 2k9z n LEU 44 Cb 0.51 -0.28 -0.02 0.00 -0.11 0.00 0.00 43.42 43.52 2k9z n LEU 44 CO 0.44 0.61 0.55 -1.83 -1.51 0.00 0.00 177.39 175.65 2k9z s GLU 45 N -2.28 1.09 0.00 3.23 -1.05 -1.26 -4.68 118.70 113.74 2k9z s GLU 45 Ca -0.15 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.24 2k9z s GLU 45 Cb 0.04 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 2k9z s GLU 45 CO 0.37 -0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.51 2k9z n GLY 46 N -0.33 0.21 3.28 -3.83 0.00 -1.26 -2.94 105.19 100.32 2k9z n GLY 46 Ca -0.12 -2.27 -0.13 0.00 0.00 0.00 0.00 46.02 43.50 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 0.00 0.59 0.05 1.61 2.36 -1.07 -4.61 119.74 118.66 2k9z s LYS 47 Ca 0.00 0.19 0.03 0.00 -2.55 0.00 0.00 55.97 53.64 2k9z s LYS 47 Cb 0.00 0.27 -0.03 0.00 -1.05 0.00 0.00 37.83 37.03 2k9z s LYS 47 CO 0.00 -0.13 -0.10 0.08 1.55 0.00 0.00 175.35 176.75 2k9z s VAL 48 N -0.57 0.71 0.02 4.02 1.01 -1.23 -1.71 120.40 122.64 2k9z s VAL 48 Ca -0.07 -1.16 0.08 0.00 0.00 0.00 0.00 61.98 60.83 2k9z s VAL 48 Cb -0.04 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2k9z s VAL 48 CO 0.03 -0.35 -0.24 -1.61 0.00 0.00 0.00 175.10 172.93 2k9z s GLU 49 N -1.67 1.97 -0.40 2.72 2.02 -0.66 -3.04 118.70 119.65 2k9z s GLU 49 Ca -0.07 -1.02 0.04 0.00 0.02 0.00 0.00 54.97 53.94 2k9z s GLU 49 Cb -0.10 -2.06 0.11 0.00 0.10 0.00 0.00 34.13 32.19 2k9z s GLU 49 CO 0.01 0.54 0.12 0.08 0.02 0.00 0.00 175.26 176.02 2k9z s VAL 50 N -0.77 2.33 -0.59 2.63 1.01 -0.13 -0.85 120.40 124.03 2k9z s VAL 50 Ca 0.12 -2.63 -0.28 0.00 0.00 0.00 0.00 61.98 59.19 2k9z s VAL 50 Cb -0.10 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2k9z s VAL 50 CO 0.02 -0.67 1.29 -0.89 0.00 0.00 0.00 175.10 174.85 2k9z s THR 51 N 0.55 3.89 0.88 3.92 2.01 -1.21 -0.58 115.64 125.09 2k9z s THR 51 Ca 0.13 0.75 -0.13 0.00 0.31 0.00 0.00 61.69 62.75 2k9z s THR 51 Cb -0.21 -4.64 0.12 0.00 0.01 0.00 0.00 72.50 67.79 2k9z s THR 51 CO -0.06 -1.34 1.19 0.42 -0.69 0.00 0.00 174.62 174.15 2k9z s THR 52 N 5.50 1.99 0.46 -0.82 -4.23 -0.19 -1.83 115.64 116.52 2k9z s THR 52 Ca 0.46 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 61.08 2k9z s THR 52 Cb -0.09 -2.92 0.26 0.00 1.34 0.00 0.00 72.50 71.10 2k9z s THR 52 CO 0.24 0.00 2.09 1.05 -0.54 0.00 0.00 174.62 177.46 2k9z h GLU 53 N -1.33 0.25 0.00 3.99 4.11 -1.88 -1.23 114.58 118.49 2k9z h GLU 53 Ca -0.47 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2k9z h GLU 53 Cb 1.31 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2k9z h GLU 53 CO 0.59 0.18 0.00 -0.44 0.07 0.00 0.00 179.01 179.41 2k9z h ASP 54 N 0.26 0.00 0.00 3.06 5.19 -1.98 -3.46 116.42 119.50 2k9z h ASP 54 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2k9z h ASP 54 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2k9z h ASP 54 CO -0.01 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.72 2k9z n GLY 55 N -0.70 1.23 3.76 2.75 0.00 -0.46 -5.04 105.19 106.72 2k9z n GLY 55 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2k9z n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k9z n LYS 56 N -2.00 2.32 -3.84 1.61 4.76 -1.26 -4.81 118.16 114.94 2k9z n LYS 56 Ca 0.00 0.82 -0.30 0.00 -2.87 0.00 0.00 58.31 55.96 2k9z n LYS 56 Cb 0.00 -2.64 -0.14 0.00 -1.84 0.00 0.00 35.03 30.41 2k9z n LYS 56 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2k9z s LYS 57 N -2.39 1.38 -1.01 1.97 -2.85 -1.26 -1.03 119.74 114.57 2k9z s LYS 57 Ca 0.60 -1.94 -0.18 0.00 -1.00 0.00 0.00 55.97 53.45 2k9z s LYS 57 Cb -0.45 -2.69 0.14 0.00 -2.06 0.00 0.00 37.83 32.76 2k9z s LYS 57 CO 0.59 -1.07 1.22 0.71 0.10 0.00 0.00 175.35 176.90 2k9z s TYR 58 N 0.57 3.19 0.45 1.78 2.02 0.25 -4.72 117.35 120.89 2k9z s TYR 58 Ca 0.14 -1.56 -0.24 0.00 -0.37 0.00 0.00 57.07 55.04 2k9z s TYR 58 Cb -0.22 -4.31 -0.09 0.00 -0.40 0.00 0.00 41.96 36.94 2k9z s TYR 58 CO -0.07 -1.48 1.14 1.55 -1.57 0.00 0.00 175.55 175.12 2k9z n VAL 59 N 5.34 2.73 -3.79 0.71 3.14 -1.26 -0.95 118.33 124.24 2k9z n VAL 59 Ca 0.28 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 61.03 2k9z n VAL 59 Cb 0.48 -1.36 -0.13 0.00 -1.06 0.00 0.00 33.84 31.77 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 -1.27 -0.01 0.41 1.55 -4.36 -1.17 -4.95 121.20 111.40 2k9z s ILE 60 Ca 0.64 0.05 0.04 0.00 -0.26 0.00 0.00 60.65 61.12 2k9z s ILE 60 Cb -0.51 -0.26 0.04 0.00 1.25 0.00 0.00 42.46 42.98 2k9z s ILE 60 CO 0.56 0.02 0.32 -0.62 0.24 0.00 0.00 174.94 175.46 2k9z n GLU 61 N 3.32 0.87 -0.14 0.37 4.71 -1.26 -3.55 120.64 124.96 2k9z n GLU 61 Ca -0.16 -2.55 -0.01 0.00 -0.01 0.00 0.00 57.16 54.43 2k9z n GLU 61 Cb 0.57 0.25 -0.01 0.00 -1.01 0.00 0.00 31.44 31.24 2k9z n GLU 61 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2k9z n LYS 62 N -1.49 0.29 -0.00 3.49 2.85 -1.26 -2.03 118.16 120.00 2k9z n LYS 62 Ca -0.01 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 2k9z n LYS 62 Cb 0.47 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 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 2.13 0.03 3.72 2.58 0.00 -0.67 -4.45 105.19 108.52 2k9z n GLY 63 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 7.14 -0.79 1.61 1.11 -0.86 -4.37 116.67 120.51 2k9z s ASP 64 Ca 0.00 1.99 -0.15 0.00 0.18 0.00 0.00 52.55 54.58 2k9z s ASP 64 Cb 0.00 -2.58 0.20 0.00 1.07 0.00 0.00 42.92 41.61 2k9z s ASP 64 CO 0.00 -0.41 0.75 -0.22 1.18 0.00 0.00 175.17 176.47 2k9z s LEU 65 N 0.80 6.56 0.52 1.23 2.96 1.00 -1.80 118.68 129.95 2k9z s LEU 65 Ca 0.56 -2.51 -0.22 0.00 -0.22 0.00 0.00 54.13 51.74 2k9z s LEU 65 Cb -0.29 -2.22 -0.06 0.00 0.50 0.00 0.00 46.19 44.13 2k9z s LEU 65 CO 0.30 -0.65 1.34 0.68 -1.32 0.00 0.00 176.35 176.70 2k9z s VAL 66 N 0.55 2.21 -0.07 1.68 -7.23 -0.96 -2.18 120.40 114.41 2k9z s VAL 66 Ca 0.17 0.16 -0.01 0.00 -1.81 0.00 0.00 61.98 60.49 2k9z s VAL 66 Cb -0.13 -3.08 0.03 0.00 0.56 0.00 0.00 36.38 33.75 2k9z s VAL 66 CO -0.07 0.00 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.82 2k9z s THR 67 N -1.32 0.40 0.17 5.32 2.01 -0.41 -0.85 115.64 120.95 2k9z s THR 67 Ca 0.69 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.68 2k9z s THR 67 Cb -0.39 -0.53 -0.06 0.00 0.01 0.00 0.00 72.50 71.52 2k9z s THR 67 CO 0.47 0.25 0.48 -0.36 -0.69 0.00 0.00 174.62 174.76 2k9z s PHE 68 N 1.76 3.49 1.04 4.92 0.08 -0.08 -1.51 117.98 127.68 2k9z s PHE 68 Ca 0.02 0.80 -0.18 0.00 0.12 0.00 0.00 56.93 57.69 2k9z s PHE 68 Cb -0.13 -2.19 0.24 0.00 -0.57 0.00 0.00 43.02 40.37 2k9z s PHE 68 CO -0.04 0.38 1.31 -1.25 -0.10 0.00 0.00 175.22 175.52 2k9z s PRO 69 N -2.48 -0.00 -0.85 0.24 0.04 -1.26 -2.78 135.00 127.91 2k9z s PRO 69 Ca 0.42 -0.46 -0.22 0.00 0.04 0.00 0.00 61.00 60.77 2k9z s PRO 69 Cb -0.12 -1.78 0.08 0.00 0.04 0.00 0.00 34.50 32.72 2k9z s PRO 69 CO 0.21 -2.84 1.18 0.21 0.04 0.00 0.00 177.00 175.80 2k9z s LYS 70 N -5.88 3.41 0.00 4.56 2.20 -1.26 -4.30 119.74 118.48 2k9z s LYS 70 Ca 0.76 -1.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 2k9z s LYS 70 Cb -0.03 -4.75 0.00 0.00 -1.51 0.00 0.00 37.83 31.54 2k9z s LYS 70 CO 0.54 -1.93 0.00 0.41 -0.36 0.00 0.00 175.35 174.01 2k9z n GLY 71 N 5.77 1.45 3.27 5.54 0.00 -0.07 -4.83 105.19 116.31 2k9z n GLY 71 Ca 0.16 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 0.11 -0.53 0.99 0.20 0.26 -4.96 118.68 114.75 2k9z s LEU 72 Ca 0.00 0.85 0.04 0.00 0.69 0.00 0.00 54.13 55.71 2k9z s LEU 72 Cb 0.00 1.34 0.16 0.00 -0.43 0.00 0.00 46.19 47.26 2k9z s LEU 72 CO 0.00 -0.17 0.38 -0.60 -0.29 0.00 0.00 176.35 175.67 2k9z s ARG 73 N 1.00 1.59 0.06 1.98 3.52 -1.26 -0.69 118.95 125.15 2k9z s ARG 73 Ca -0.06 -2.58 0.01 0.00 -0.13 0.00 0.00 55.73 52.97 2k9z s ARG 73 Cb -0.07 -2.38 -0.03 0.00 -1.56 0.00 0.00 34.95 30.92 2k9z s ARG 73 CO -0.08 -1.31 -0.06 0.00 -0.81 0.00 0.00 175.30 173.04 2k9z s ARG 75 N -2.66 3.13 -0.20 0.00 3.00 -0.76 -1.56 118.95 119.89 2k9z s ARG 75 Ca -0.01 1.48 -0.02 0.00 0.00 0.00 0.00 55.73 57.18 2k9z s ARG 75 Cb -0.02 -1.99 0.06 0.00 0.00 0.00 0.00 34.95 33.00 2k9z s ARG 75 CO -0.03 -1.00 0.00 -1.58 0.00 0.00 0.00 175.30 172.69 2k9z s TRP 76 N -2.08 1.47 -0.37 -0.53 0.52 0.22 -3.33 118.94 114.85 2k9z s TRP 76 Ca 0.69 -1.13 -0.07 0.00 0.02 0.00 0.00 56.10 55.61 2k9z s TRP 76 Cb -0.22 -1.21 0.05 0.00 -1.15 0.00 0.00 33.47 30.95 2k9z s TRP 76 CO 0.34 -0.66 0.16 0.21 0.02 0.00 0.00 176.95 177.02 2k9z s LYS 77 N 1.71 2.59 -0.62 4.98 2.20 -0.03 -1.03 119.74 129.53 2k9z s LYS 77 Ca -0.02 -1.29 -0.24 0.00 -0.36 0.00 0.00 55.97 54.06 2k9z s LYS 77 Cb -0.17 -3.57 0.05 0.00 -1.51 0.00 0.00 37.83 32.63 2k9z s LYS 77 CO -0.07 -0.77 1.00 0.08 -0.36 0.00 0.00 175.35 175.23 2k9z s VAL 78 N 1.40 4.26 -0.28 4.02 1.01 -0.95 -1.65 120.40 128.21 2k9z s VAL 78 Ca 0.00 0.04 0.20 0.00 0.00 0.00 0.00 61.98 62.23 2k9z s VAL 78 Cb -0.21 -4.66 0.13 0.00 0.00 0.00 0.00 36.38 31.65 2k9z s VAL 78 CO 0.02 -1.36 1.32 -0.07 0.00 0.00 0.00 175.10 175.01 2k9z h LEU 79 N 11.43 0.00 -7.38 3.92 3.38 -1.62 -3.30 115.31 121.74 2k9z h LEU 79 Ca -0.27 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 2k9z h LEU 79 Cb 1.07 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.63 2k9z h LEU 79 CO 1.16 0.18 -0.14 -1.61 0.09 0.00 0.00 178.44 178.13 2k9z s GLU 80 N -3.16 0.83 -1.04 1.13 0.41 -0.91 -4.86 118.70 111.10 2k9z s GLU 80 Ca 0.03 -0.19 -0.23 0.00 -0.41 0.00 0.00 54.97 54.17 2k9z s GLU 80 Cb 0.07 0.37 -0.04 0.00 -1.78 0.00 0.00 34.13 32.76 2k9z s GLU 80 CO 0.74 -0.26 1.85 -1.25 -0.49 0.00 0.00 175.26 175.85 2k9z s PRO 81 N -1.77 2.81 0.29 0.39 0.04 -1.26 -2.61 135.00 132.89 2k9z s PRO 81 Ca -0.10 -0.81 -0.29 0.00 0.04 0.00 0.00 61.00 59.84 2k9z s PRO 81 Cb -0.03 -5.20 -0.10 0.00 0.04 0.00 0.00 34.50 29.22 2k9z s PRO 81 CO 0.03 -3.30 1.18 0.54 0.04 0.00 0.00 177.00 175.49 2k9z s VAL 82 N 9.13 3.22 -0.56 -0.36 0.11 -1.26 -4.55 120.40 126.14 2k9z s VAL 82 Ca 0.65 1.22 0.05 0.00 -2.93 0.00 0.00 61.98 60.97 2k9z s VAL 82 Cb -0.03 -3.78 0.35 0.00 -1.53 0.00 0.00 36.38 31.39 2k9z s VAL 82 CO 0.03 0.29 0.95 -1.14 -3.33 0.00 0.00 175.10 171.90 2k9z n ARG 83 N 1.11 3.17 -1.28 1.54 0.63 -1.15 -3.19 116.66 117.49 2k9z n ARG 83 Ca -0.01 -4.79 -0.30 0.00 -0.92 0.00 0.00 57.85 51.83 2k9z n ARG 83 Cb 0.44 -2.22 0.11 0.00 0.45 0.00 0.00 32.46 31.23 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 -3.44 1.93 -0.23 -0.14 0.00 -0.97 -4.55 119.74 112.34 2k9z s LYS 84 Ca 0.49 0.99 -0.10 0.00 0.00 0.00 0.00 55.97 57.35 2k9z s LYS 84 Cb 0.29 -1.87 -0.05 0.00 0.00 0.00 0.00 37.83 36.20 2k9z s LYS 84 CO -0.14 -1.82 0.14 -1.01 0.00 0.00 0.00 175.35 172.51 2k9z s HIS 85 N -2.94 3.28 0.28 1.78 3.76 -0.66 -2.25 115.29 118.55 2k9z s HIS 85 Ca 0.62 0.14 0.10 0.00 -0.15 0.00 0.00 55.06 55.77 2k9z s HIS 85 Cb -0.17 -2.24 -0.05 0.00 1.11 0.00 0.00 32.58 31.24 2k9z s HIS 85 CO 0.56 0.04 -0.06 1.52 -0.85 0.00 0.00 174.74 175.96 2k9z s TYR 86 N 1.00 2.55 -0.17 1.40 1.13 -1.06 -0.95 117.35 121.25 2k9z s TYR 86 Ca 0.07 -0.29 -0.08 0.00 -1.41 0.00 0.00 57.07 55.35 2k9z s TYR 86 Cb -0.13 -1.19 0.06 0.00 -1.10 0.00 0.00 41.96 39.60 2k9z s TYR 86 CO 0.04 0.62 0.39 1.21 -2.51 0.00 0.00 175.55 175.30 2k9z s ASN 87 N -3.64 -0.40 0.08 -0.18 2.47 -0.44 -3.76 114.94 109.07 2k9z s ASN 87 Ca 0.32 0.87 -0.21 0.00 0.42 0.00 0.00 52.86 54.25 2k9z s ASN 87 Cb -0.05 0.85 -0.07 0.00 -1.45 0.00 0.00 41.25 40.53 2k9z s ASN 87 CO 0.18 -0.20 0.63 -0.76 -3.72 0.00 0.00 177.10 173.23 2k9z s LEU 88 N 1.67 4.52 0.00 3.21 1.43 -1.26 -2.63 118.68 125.62 2k9z s LEU 88 Ca -0.08 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 2k9z s LEU 88 Cb -0.09 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.12 2k9z s LEU 88 CO -0.12 0.22 0.00 2.22 0.23 0.00 0.00 176.35 178.90