#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 -0.91 -2.19 0.03 0.28 -1.26 -4.61 120.64 111.98 2k9z n GLU 2 Ca 0.00 0.60 -0.41 0.00 -0.16 0.00 0.00 57.16 57.19 2k9z n GLU 2 Cb 0.00 -1.11 -0.03 0.00 1.43 0.00 0.00 31.44 31.73 2k9z n GLU 2 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2k9z s VAL 3 N -1.05 2.99 -0.08 3.84 0.11 -1.26 -3.94 120.40 121.01 2k9z s VAL 3 Ca 0.00 0.90 0.02 0.00 -2.93 0.00 0.00 61.98 59.97 2k9z s VAL 3 Cb 0.00 -3.57 -0.02 0.00 -1.53 0.00 0.00 36.38 31.25 2k9z s VAL 3 CO 0.00 0.18 -0.13 -0.75 -3.33 0.00 0.00 175.10 171.06 2k9z s LYS 4 N -0.94 2.83 -0.17 1.54 2.47 -0.18 -4.98 119.74 120.32 2k9z s LYS 4 Ca 0.53 -0.68 -0.03 0.00 -1.56 0.00 0.00 55.97 54.23 2k9z s LYS 4 Cb -0.38 -2.49 0.05 0.00 -1.46 0.00 0.00 37.83 33.56 2k9z s LYS 4 CO 0.45 0.49 0.03 0.42 0.16 0.00 0.00 175.35 176.90 2k9z s ILE 5 N -0.36 0.42 0.28 5.43 1.01 -1.26 -1.10 121.20 125.61 2k9z s ILE 5 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2k9z s ILE 5 Cb -0.12 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 2k9z s ILE 5 CO 0.02 -0.12 0.29 -1.61 0.00 0.00 0.00 174.94 173.53 2k9z s GLU 6 N 1.92 1.57 -0.78 2.79 2.02 -0.94 -4.99 118.70 120.28 2k9z s GLU 6 Ca 0.01 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.26 2k9z s GLU 6 Cb -0.16 0.35 0.19 0.00 0.10 0.00 0.00 34.13 34.61 2k9z s GLU 6 CO -0.07 -0.59 0.63 0.15 0.02 0.00 0.00 175.26 175.39 2k9z s LYS 7 N -3.68 2.89 0.82 1.61 3.01 -1.26 -0.44 119.74 122.70 2k9z s LYS 7 Ca 0.36 -3.15 -0.12 0.00 -1.01 0.00 0.00 55.97 52.05 2k9z s LYS 7 Cb 0.03 -3.75 0.09 0.00 -1.01 0.00 0.00 37.83 33.18 2k9z s LYS 7 CO 0.19 -1.25 1.10 -1.25 0.51 0.00 0.00 175.35 174.65 2k9z s PRO 8 N -1.13 1.86 0.48 -1.68 0.04 -1.26 -5.01 135.00 128.29 2k9z s PRO 8 Ca 0.25 0.57 -0.24 0.00 0.04 0.00 0.00 61.00 61.62 2k9z s PRO 8 Cb -0.09 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 2k9z s PRO 8 CO -0.11 -1.76 1.38 -0.08 0.04 0.00 0.00 177.00 176.46 2k9z s THR 9 N -3.17 2.17 0.42 1.26 -1.32 -1.26 -4.92 115.64 108.81 2k9z s THR 9 Ca 0.61 0.15 0.32 0.00 -1.21 0.00 0.00 61.69 61.56 2k9z s THR 9 Cb -0.15 -3.08 0.34 0.00 -1.51 0.00 0.00 72.50 68.10 2k9z s THR 9 CO 0.54 0.01 2.12 1.55 -2.21 0.00 0.00 174.62 176.63 2k9z h PRO 10 N 2.06 0.00 0.79 7.08 0.13 -2.01 -3.25 132.00 136.81 2k9z h PRO 10 Ca -0.51 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 2k9z h PRO 10 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 2k9z h PRO 10 CO 0.60 0.07 -0.38 1.49 -0.23 0.00 0.00 178.00 179.55 2k9z h GLU 11 N 0.00 -1.03 -0.79 0.86 4.22 -2.01 -2.60 114.58 113.23 2k9z h GLU 11 Ca -0.00 0.07 0.08 0.00 0.08 0.00 0.00 59.36 59.59 2k9z h GLU 11 Cb 0.29 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 2k9z h GLU 11 CO 0.01 -0.69 0.52 -0.22 -2.18 0.00 0.00 179.01 176.45 2k9z h LYS 12 N -1.17 0.76 -0.86 1.92 1.63 -1.96 0.13 116.57 117.01 2k9z h LYS 12 Ca -0.11 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.69 2k9z h LYS 12 Cb 0.82 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 32.22 2k9z h LYS 12 CO 0.18 0.51 0.55 -0.07 -3.45 0.00 0.00 179.45 177.16 2k9z h LEU 13 N 0.79 0.90 -0.06 5.20 3.38 -1.63 0.82 115.31 124.71 2k9z h LEU 13 Ca 0.36 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.35 2k9z h LEU 13 Cb 0.35 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2k9z h LEU 13 CO -0.13 0.61 -0.08 0.11 0.09 0.00 0.00 178.44 179.04 2k9z h LYS 14 N 1.05 -0.10 -0.34 1.13 6.56 -0.58 -3.04 116.57 121.25 2k9z h LYS 14 Ca 0.35 0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.90 2k9z h LYS 14 Cb 0.05 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 2k9z h LYS 14 CO -0.13 -0.07 0.00 0.93 -2.06 0.00 0.00 179.45 178.12 2k9z h GLU 15 N -0.11 0.52 0.00 3.15 5.08 -1.06 -1.75 114.58 120.41 2k9z h GLU 15 Ca 0.05 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k9z h GLU 15 Cb 0.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k9z h GLU 15 CO -0.12 0.54 0.00 1.28 -1.00 0.00 0.00 179.01 179.71 2k9z n LEU 16 N -4.29 0.00 -1.90 1.33 4.32 0.23 -4.86 117.00 111.83 2k9z n LEU 16 Ca 0.01 0.30 -0.18 0.00 -0.02 0.00 0.00 56.01 56.13 2k9z n LEU 16 Cb 0.24 -0.30 -0.02 0.00 -1.62 0.00 0.00 43.42 41.72 2k9z n LEU 16 CO 0.39 -0.26 -0.22 -1.54 -1.22 0.00 0.00 177.39 174.54 2k9z n SER 17 N -1.30 -5.17 0.03 -1.43 3.41 -0.66 -4.93 113.62 103.57 2k9z n SER 17 Ca 0.02 0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.81 2k9z n SER 17 Cb 0.03 -4.24 0.57 0.00 -0.26 0.00 0.00 64.21 60.31 2k9z n SER 17 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2k9z h VAL 18 N 0.00 0.91 0.00 -3.33 2.07 -1.75 0.88 116.25 115.03 2k9z h VAL 18 Ca -0.41 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2k9z h VAL 18 Cb 1.28 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2k9z h VAL 18 CO 0.50 0.04 -0.05 1.05 0.02 0.00 0.00 177.57 179.13 2k9z h GLU 19 N 0.23 0.00 -0.00 1.57 4.11 -1.90 -1.27 114.58 117.32 2k9z h GLU 19 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 2k9z h GLU 19 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2k9z h GLU 19 CO -0.04 0.05 -0.35 1.63 0.07 0.00 0.00 179.01 180.38 2k9z n LYS 20 N -3.56 0.31 -1.52 1.06 5.02 0.30 -4.92 118.16 114.85 2k9z n LYS 20 Ca -0.02 -0.16 -0.30 0.00 -2.02 0.00 0.00 58.31 55.80 2k9z n LYS 20 Cb 0.17 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.76 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 -2.80 2.86 0.21 2.13 0.52 -0.48 -5.00 118.94 116.37 2k9z s TRP 21 Ca 0.17 1.25 -0.30 0.00 0.02 0.00 0.00 56.10 57.23 2k9z s TRP 21 Cb 0.18 -3.06 -0.09 0.00 -1.15 0.00 0.00 33.47 29.35 2k9z s TRP 21 CO 0.61 -1.68 1.40 -1.25 0.02 0.00 0.00 176.95 176.06 2k9z s PRO 22 N -5.10 4.31 0.52 4.98 0.04 -1.24 -4.90 135.00 133.60 2k9z s PRO 22 Ca 0.60 2.20 -0.20 0.00 0.04 0.00 0.00 61.00 63.64 2k9z s PRO 22 Cb -0.15 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 2k9z s PRO 22 CO 0.55 -0.39 1.12 0.42 0.04 0.00 0.00 177.00 178.74 2k9z s ILE 23 N 0.31 3.23 -0.03 0.56 1.01 -1.26 -2.29 121.20 122.74 2k9z s ILE 23 Ca 0.60 0.80 -0.07 0.00 0.00 0.00 0.00 60.65 61.99 2k9z s ILE 23 Cb -0.40 -3.34 0.01 0.00 0.01 0.00 0.00 42.46 38.74 2k9z s ILE 23 CO 0.38 -0.13 0.16 0.86 0.00 0.00 0.00 174.94 176.21 2k9z s TRP 24 N -1.74 -0.07 0.09 3.97 -0.00 -0.99 -4.91 118.94 115.29 2k9z s TRP 24 Ca 0.70 0.15 -0.01 0.00 -0.00 0.00 0.00 56.10 56.94 2k9z s TRP 24 Cb -0.24 0.01 -0.04 0.00 -0.00 0.00 0.00 33.47 33.20 2k9z s TRP 24 CO 0.28 -0.20 0.02 -1.83 -0.00 0.00 0.00 176.95 175.22 2k9z s GLU 25 N -0.70 0.77 0.27 5.86 -1.05 -1.26 -2.31 118.70 120.28 2k9z s GLU 25 Ca -0.08 -1.32 -0.06 0.00 -0.15 0.00 0.00 54.97 53.37 2k9z s GLU 25 Cb -0.05 0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.86 2k9z s GLU 25 CO 0.01 -0.19 0.38 0.21 0.95 0.00 0.00 175.26 176.62 2k9z s LYS 26 N -3.98 1.59 1.20 -4.83 2.36 -1.23 -5.01 119.74 109.84 2k9z s LYS 26 Ca 0.15 -1.54 -0.20 0.00 -2.55 0.00 0.00 55.97 51.83 2k9z s LYS 26 Cb 0.08 0.41 0.30 0.00 -1.05 0.00 0.00 37.83 37.56 2k9z s LYS 26 CO -0.04 -0.63 1.12 -1.91 1.55 0.00 0.00 175.35 175.43 2k9z n GLU 27 N -0.42 -2.94 -0.24 4.03 2.13 -1.26 -4.26 120.64 117.67 2k9z n GLU 27 Ca 0.01 -1.78 0.11 0.00 0.66 0.00 0.00 57.16 56.16 2k9z n GLU 27 Cb 0.63 -1.60 0.26 0.00 0.27 0.00 0.00 31.44 31.00 2k9z n GLU 27 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k9z n VAL 28 N -4.75 0.62 -1.99 6.31 0.31 -1.26 -4.60 118.33 112.97 2k9z n VAL 28 Ca 0.15 -0.76 -0.28 0.00 -0.01 0.00 0.00 64.34 63.44 2k9z n VAL 28 Cb 0.59 0.70 0.12 0.00 -0.91 0.00 0.00 33.84 34.34 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 -1.30 4.11 0.27 4.52 0.15 -1.26 -4.58 113.70 115.61 2k9z s SER 29 Ca 0.40 0.51 0.06 0.00 0.70 0.00 0.00 55.95 57.62 2k9z s SER 29 Cb 0.22 -0.88 -0.02 0.00 -1.71 0.00 0.00 66.02 63.63 2k9z s SER 29 CO 0.31 -2.12 0.38 -1.83 1.20 0.00 0.00 173.24 171.18 2k9z s GLU 30 N -5.60 3.32 0.36 5.44 -1.05 -1.26 -2.71 118.70 117.19 2k9z s GLU 30 Ca 0.66 -0.85 -0.13 0.00 -0.15 0.00 0.00 54.97 54.50 2k9z s GLU 30 Cb -0.08 -2.85 0.04 0.00 -0.44 0.00 0.00 34.13 30.79 2k9z s GLU 30 CO 0.49 0.33 0.69 -0.59 0.95 0.00 0.00 175.26 177.13 2k9z s PHE 31 N -2.04 0.32 -0.18 4.83 -0.12 -0.76 -4.95 117.98 115.07 2k9z s PHE 31 Ca 0.37 -0.85 -0.07 0.00 -0.05 0.00 0.00 56.93 56.33 2k9z s PHE 31 Cb -0.09 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 2k9z s PHE 31 CO 0.29 -1.40 0.06 0.16 -0.05 0.00 0.00 175.22 174.28 2k9z s ASP 32 N -3.09 5.56 0.07 1.98 1.47 -1.26 -0.22 116.67 121.18 2k9z s ASP 32 Ca 0.19 0.06 0.09 0.00 1.18 0.00 0.00 52.55 54.06 2k9z s ASP 32 Cb -0.04 -1.95 -0.03 0.00 -0.34 0.00 0.00 42.92 40.56 2k9z s ASP 32 CO 0.13 0.16 -0.24 0.86 0.68 0.00 0.00 175.17 176.77 2k9z s TRP 33 N 0.43 2.40 0.03 2.11 -0.11 -0.42 -4.93 118.94 118.45 2k9z s TRP 33 Ca 0.03 -0.35 0.07 0.00 1.22 0.00 0.00 56.10 57.07 2k9z s TRP 33 Cb -0.13 -1.38 -0.03 0.00 -1.50 0.00 0.00 33.47 30.44 2k9z s TRP 33 CO 0.01 0.22 -0.21 -0.47 -4.62 0.00 0.00 176.95 171.88 2k9z s TYR 34 N -0.92 2.48 -0.27 5.86 6.14 -1.26 -2.35 117.35 127.04 2k9z s TYR 34 Ca 0.13 -0.31 0.01 0.00 0.64 0.00 0.00 57.07 57.55 2k9z s TYR 34 Cb -0.10 -1.46 0.05 0.00 0.42 0.00 0.00 41.96 40.87 2k9z s TYR 34 CO 0.04 0.18 -0.08 0.71 0.64 0.00 0.00 175.55 177.04 2k9z s TYR 35 N -0.84 3.23 -1.63 4.97 2.02 -0.40 -4.97 117.35 119.73 2k9z s TYR 35 Ca 0.13 -2.11 0.14 0.00 -0.37 0.00 0.00 57.07 54.86 2k9z s TYR 35 Cb -0.10 -1.99 0.20 0.00 -0.40 0.00 0.00 41.96 39.67 2k9z s TYR 35 CO 0.03 -0.84 1.07 -0.40 -1.57 0.00 0.00 175.55 173.84 2k9z n ASP 36 N 4.51 2.51 -3.65 2.29 5.68 -1.26 -0.83 116.55 125.80 2k9z n ASP 36 Ca -0.14 -1.72 -0.10 0.00 -0.50 0.00 0.00 54.79 52.32 2k9z n ASP 36 Cb 0.43 -0.09 -0.05 0.00 -1.14 0.00 0.00 41.12 40.27 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 -1.15 0.07 0.12 2.12 -4.23 -1.26 -4.30 115.64 107.02 2k9z s THR 37 Ca 0.21 -0.61 -0.31 0.00 -1.18 0.00 0.00 61.69 59.80 2k9z s THR 37 Cb 0.13 -1.21 -0.09 0.00 1.34 0.00 0.00 72.50 72.67 2k9z s THR 37 CO 0.19 -0.31 1.61 0.20 -0.54 0.00 0.00 174.62 175.78 2k9z s ASN 38 N -2.81 6.59 -0.20 3.99 0.01 -1.17 -4.24 114.94 117.11 2k9z s ASN 38 Ca 0.04 2.57 -0.03 0.00 -0.71 0.00 0.00 52.86 54.72 2k9z s ASN 38 Cb 0.02 -2.58 0.06 0.00 0.41 0.00 0.00 41.25 39.16 2k9z s ASN 38 CO -0.11 -0.86 0.05 -0.70 -1.51 0.00 0.00 177.10 173.97 2k9z s GLU 39 N 1.84 0.59 0.11 -0.60 2.12 -1.20 -1.98 118.70 119.57 2k9z s GLU 39 Ca 0.72 -0.43 -0.28 0.00 0.36 0.00 0.00 54.97 55.34 2k9z s GLU 39 Cb -0.42 -2.05 -0.06 0.00 0.26 0.00 0.00 34.13 31.85 2k9z s GLU 39 CO 0.32 -0.68 0.87 0.99 -0.54 0.00 0.00 175.26 176.22 2k9z s THR 40 N 1.88 4.52 0.09 -1.70 2.01 -1.08 -1.85 115.64 119.52 2k9z s THR 40 Ca 0.00 1.88 0.03 0.00 0.31 0.00 0.00 61.69 63.91 2k9z s THR 40 Cb -0.17 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 2k9z s THR 40 CO -0.10 0.37 -0.08 0.00 -0.69 0.00 0.00 174.62 174.12 2k9z s TYR 42 N -2.87 1.03 0.36 0.00 5.04 -0.04 -1.24 117.35 119.64 2k9z s TYR 42 Ca 0.07 -0.57 -0.26 0.00 -2.44 0.00 0.00 57.07 53.87 2k9z s TYR 42 Cb 0.00 -1.00 -0.09 0.00 0.35 0.00 0.00 41.96 41.22 2k9z s TYR 42 CO -0.02 -0.47 1.13 0.42 -1.34 0.00 0.00 175.55 175.27 2k9z s ILE 43 N 1.85 3.35 0.00 3.14 -1.09 -1.26 -1.76 121.20 125.44 2k9z s ILE 43 Ca 0.03 1.18 0.00 0.00 -2.23 0.00 0.00 60.65 59.63 2k9z s ILE 43 Cb -0.14 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 2k9z s ILE 43 CO -0.07 0.15 0.00 0.18 -1.23 0.00 0.00 174.94 173.97 2k9z n LEU 44 N 0.38 1.37 -3.73 2.97 4.77 -1.07 -4.30 117.00 117.39 2k9z n LEU 44 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 2k9z n LEU 44 Cb 0.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 2k9z n LEU 44 CO 0.51 0.23 0.05 -1.83 -1.33 0.00 0.00 177.39 175.02 2k9z s GLU 45 N -1.64 0.96 0.00 3.23 -1.05 -1.21 -4.70 118.70 114.30 2k9z s GLU 45 Ca 0.00 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.05 2k9z s GLU 45 Cb 0.00 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 2k9z s GLU 45 CO 0.00 -0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.28 2k9z n GLY 46 N -0.07 0.71 3.05 -3.83 0.00 -1.26 -1.67 105.19 102.12 2k9z n GLY 46 Ca -0.16 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.27 0.48 -0.05 1.61 -0.14 -1.19 -4.01 119.74 115.16 2k9z s LYS 47 Ca 0.00 -0.85 -0.31 0.00 -1.36 0.00 0.00 55.97 53.45 2k9z s LYS 47 Cb 0.00 0.17 0.07 0.00 -1.68 0.00 0.00 37.83 36.39 2k9z s LYS 47 CO 0.00 -0.09 0.68 0.54 -0.76 0.00 0.00 175.35 175.72 2k9z s VAL 48 N -2.57 0.00 -0.13 3.17 0.11 -1.24 -1.20 120.40 118.54 2k9z s VAL 48 Ca -0.06 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.97 2k9z s VAL 48 Cb -0.02 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.87 2k9z s VAL 48 CO -0.05 0.00 0.02 -1.61 -3.33 0.00 0.00 175.10 170.13 2k9z s GLU 49 N -1.20 0.62 -0.22 1.54 2.02 -0.90 -3.76 118.70 116.79 2k9z s GLU 49 Ca -0.11 -0.12 -0.20 0.00 0.02 0.00 0.00 54.97 54.56 2k9z s GLU 49 Cb -0.00 -1.48 -0.02 0.00 0.10 0.00 0.00 34.13 32.73 2k9z s GLU 49 CO 0.10 -0.45 0.62 0.08 0.02 0.00 0.00 175.26 175.63 2k9z s VAL 50 N 1.93 5.01 -0.20 2.63 1.01 0.97 -1.92 120.40 129.82 2k9z s VAL 50 Ca 0.03 1.15 -0.04 0.00 0.00 0.00 0.00 61.98 63.12 2k9z s VAL 50 Cb -0.14 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2k9z s VAL 50 CO -0.07 0.08 -0.04 -0.89 0.00 0.00 0.00 175.10 174.17 2k9z s THR 51 N 2.17 3.48 1.12 3.92 2.01 -1.24 0.14 115.64 127.24 2k9z s THR 51 Ca 0.27 -0.47 -0.18 0.00 0.31 0.00 0.00 61.69 61.62 2k9z s THR 51 Cb -0.16 -2.56 0.26 0.00 0.01 0.00 0.00 72.50 70.05 2k9z s THR 51 CO 0.09 0.44 1.20 0.42 -0.69 0.00 0.00 174.62 176.09 2k9z s THR 52 N 1.17 1.75 0.12 -0.82 -4.23 -0.60 -0.54 115.64 112.49 2k9z s THR 52 Ca 0.02 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.77 2k9z s THR 52 Cb -0.14 -2.70 0.23 0.00 1.34 0.00 0.00 72.50 71.22 2k9z s THR 52 CO -0.01 0.00 1.81 1.05 -0.54 0.00 0.00 174.62 176.94 2k9z h GLU 53 N -2.24 0.00 0.00 3.99 4.11 -1.90 -3.13 114.58 115.41 2k9z h GLU 53 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2k9z h GLU 53 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2k9z h GLU 53 CO 0.34 0.23 0.00 -0.25 0.07 0.00 0.00 179.01 179.40 2k9z n ASP 54 N -3.39 0.00 0.00 3.06 9.92 -1.26 -4.85 116.55 120.03 2k9z n ASP 54 Ca 0.00 0.32 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 2k9z n ASP 54 Cb 0.44 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 2k9z n ASP 54 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k9z n GLY 55 N -0.36 2.27 3.76 0.44 0.00 -1.18 -5.03 105.19 105.09 2k9z n GLY 55 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.41 4.14 -0.09 1.61 -0.14 -1.26 -4.75 119.74 118.82 2k9z s LYS 56 Ca 0.00 2.54 0.04 0.00 -1.36 0.00 0.00 55.97 57.19 2k9z s LYS 56 Cb 0.00 -3.01 -0.00 0.00 -1.68 0.00 0.00 37.83 33.14 2k9z s LYS 56 CO 0.00 -0.56 -0.23 0.21 -0.76 0.00 0.00 175.35 174.00 2k9z s LYS 57 N -1.13 2.90 -0.52 1.68 2.20 -1.26 -1.56 119.74 122.05 2k9z s LYS 57 Ca 0.59 -0.85 0.03 0.00 -0.36 0.00 0.00 55.97 55.38 2k9z s LYS 57 Cb -0.47 -2.22 0.15 0.00 -1.51 0.00 0.00 37.83 33.79 2k9z s LYS 57 CO 0.53 0.19 0.34 0.71 -0.36 0.00 0.00 175.35 176.76 2k9z s TYR 58 N 0.32 2.36 -0.68 4.03 2.02 0.12 -4.93 117.35 120.59 2k9z s TYR 58 Ca -0.17 -2.73 -0.26 0.00 -0.37 0.00 0.00 57.07 53.53 2k9z s TYR 58 Cb -0.17 -1.99 -0.13 0.00 -0.40 0.00 0.00 41.96 39.26 2k9z s TYR 58 CO 0.08 -0.72 2.47 1.55 -1.57 0.00 0.00 175.55 177.36 2k9z n VAL 59 N 2.89 -0.05 -2.25 0.71 3.14 -1.26 -0.02 118.33 121.49 2k9z n VAL 59 Ca 0.16 -0.56 -0.31 0.00 -2.96 0.00 0.00 64.34 60.66 2k9z n VAL 59 Cb 0.37 -2.01 -0.02 0.00 -1.06 0.00 0.00 33.84 31.13 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 11.23 4.62 0.39 1.55 -0.00 -1.25 -5.00 121.20 132.74 2k9z s ILE 60 Ca 1.08 1.04 -0.12 0.00 -0.00 0.00 0.00 60.65 62.64 2k9z s ILE 60 Cb -0.45 -3.78 0.05 0.00 -0.00 0.00 0.00 42.46 38.29 2k9z s ILE 60 CO 0.30 -0.84 0.73 -1.84 -0.00 0.00 0.00 174.94 173.29 2k9z n GLU 61 N -1.98 1.05 -1.85 0.37 0.28 -1.26 -3.72 120.64 113.53 2k9z n GLU 61 Ca 0.06 -2.34 -0.22 0.00 -0.16 0.00 0.00 57.16 54.50 2k9z n GLU 61 Cb 0.54 2.77 -0.08 0.00 1.43 0.00 0.00 31.44 36.09 2k9z n GLU 61 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2k9z s LYS 62 N -2.23 1.91 0.00 3.44 -2.85 -1.26 -2.35 119.74 116.41 2k9z s LYS 62 Ca 0.18 -0.63 0.00 0.00 -1.00 0.00 0.00 55.97 54.53 2k9z s LYS 62 Cb -0.04 -5.08 0.00 0.00 -2.06 0.00 0.00 37.83 30.65 2k9z s LYS 62 CO 0.14 -4.54 0.00 0.41 0.10 0.00 0.00 175.35 171.46 2k9z n GLY 63 N 6.16 0.00 2.89 0.59 0.00 -1.26 -4.97 105.19 108.59 2k9z n GLY 63 Ca 0.43 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 4.06 0.60 1.61 1.11 -0.99 -4.41 116.67 118.65 2k9z s ASP 64 Ca 0.00 -1.51 -0.18 0.00 0.18 0.00 0.00 52.55 51.04 2k9z s ASP 64 Cb 0.00 -1.16 -0.03 0.00 1.07 0.00 0.00 42.92 42.80 2k9z s ASP 64 CO 0.00 -0.32 1.19 -0.22 1.18 0.00 0.00 175.17 177.00 2k9z s LEU 65 N 1.37 3.64 0.15 1.23 2.96 0.42 -4.19 118.68 124.26 2k9z s LEU 65 Ca 0.03 2.34 0.06 0.00 -0.22 0.00 0.00 54.13 56.34 2k9z s LEU 65 Cb -0.18 -4.59 -0.04 0.00 0.50 0.00 0.00 46.19 41.87 2k9z s LEU 65 CO -0.12 -1.59 -0.14 -0.69 -1.32 0.00 0.00 176.35 172.49 2k9z s VAL 66 N -1.68 1.41 -0.18 1.68 1.01 -0.38 -2.21 120.40 120.06 2k9z s VAL 66 Ca 0.76 -1.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 2k9z s VAL 66 Cb -0.29 -1.71 0.08 0.00 0.00 0.00 0.00 36.38 34.46 2k9z s VAL 66 CO 0.33 -0.50 0.20 -0.89 0.00 0.00 0.00 175.10 174.24 2k9z s THR 67 N -2.51 -0.30 0.56 3.92 2.01 -0.26 -1.85 115.64 117.22 2k9z s THR 67 Ca 0.13 -0.06 -0.15 0.00 0.31 0.00 0.00 61.69 61.93 2k9z s THR 67 Cb -0.03 -0.62 -0.06 0.00 0.01 0.00 0.00 72.50 71.81 2k9z s THR 67 CO 0.04 -0.16 1.01 -0.36 -0.69 0.00 0.00 174.62 174.46 2k9z s PHE 68 N 2.31 3.35 0.94 4.92 0.08 -0.77 -1.01 117.98 127.80 2k9z s PHE 68 Ca 0.06 1.45 -0.15 0.00 0.12 0.00 0.00 56.93 58.41 2k9z s PHE 68 Cb -0.15 -2.84 0.19 0.00 -0.57 0.00 0.00 43.02 39.65 2k9z s PHE 68 CO -0.11 -0.64 1.30 -1.25 -0.10 0.00 0.00 175.22 174.42 2k9z s PRO 69 N -4.30 0.74 -0.92 0.24 0.04 -1.25 -3.22 135.00 126.32 2k9z s PRO 69 Ca 0.59 -0.45 -0.24 0.00 0.04 0.00 0.00 61.00 60.94 2k9z s PRO 69 Cb -0.12 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2k9z s PRO 69 CO 0.37 -2.33 1.67 0.21 0.04 0.00 0.00 177.00 176.96 2k9z s LYS 70 N -5.83 3.07 0.00 4.56 2.20 -1.26 -4.23 119.74 118.25 2k9z s LYS 70 Ca 0.73 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 2k9z s LYS 70 Cb -0.04 -5.09 0.00 0.00 -1.51 0.00 0.00 37.83 31.19 2k9z s LYS 70 CO 0.52 -2.72 0.00 0.41 -0.36 0.00 0.00 175.35 173.20 2k9z n GLY 71 N 6.69 1.40 3.39 5.54 0.00 -0.16 -4.81 105.19 117.23 2k9z n GLY 71 Ca 0.33 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 0.05 -0.10 0.99 2.96 -0.01 -4.99 118.68 117.57 2k9z s LEU 72 Ca 0.00 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 2k9z s LEU 72 Cb 0.00 1.96 0.02 0.00 0.50 0.00 0.00 46.19 48.67 2k9z s LEU 72 CO 0.00 -0.56 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.77 2k9z s ARG 73 N -1.43 1.66 0.24 1.98 3.52 -1.26 -1.27 118.95 122.37 2k9z s ARG 73 Ca -0.11 -0.33 -0.19 0.00 -0.13 0.00 0.00 55.73 54.97 2k9z s ARG 73 Cb -0.02 -1.59 0.02 0.00 -1.56 0.00 0.00 34.95 31.80 2k9z s ARG 73 CO 0.06 -0.18 0.60 0.00 -0.81 0.00 0.00 175.30 174.97 2k9z s ARG 75 N -3.91 1.16 -0.33 0.00 3.00 0.30 -1.30 118.95 117.88 2k9z s ARG 75 Ca 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 55.73 55.75 2k9z s ARG 75 Cb -0.03 -1.88 0.13 0.00 0.00 0.00 0.00 34.95 33.18 2k9z s ARG 75 CO 0.02 -2.11 0.24 -1.58 0.00 0.00 0.00 175.30 171.87 2k9z s TRP 76 N -3.65 0.22 -0.60 -0.53 0.52 0.70 -3.66 118.94 111.95 2k9z s TRP 76 Ca 0.68 -1.07 -0.28 0.00 0.02 0.00 0.00 56.10 55.45 2k9z s TRP 76 Cb -0.08 -0.72 0.03 0.00 -1.15 0.00 0.00 33.47 31.54 2k9z s TRP 76 CO 0.51 -0.88 1.22 0.21 0.02 0.00 0.00 176.95 178.03 2k9z s LYS 77 N 1.56 3.46 -1.05 4.98 2.47 -0.81 -1.83 119.74 128.53 2k9z s LYS 77 Ca 0.15 0.20 -0.19 0.00 -1.56 0.00 0.00 55.97 54.57 2k9z s LYS 77 Cb -0.18 -4.04 0.11 0.00 -1.46 0.00 0.00 37.83 32.26 2k9z s LYS 77 CO -0.13 -1.75 1.34 0.08 0.16 0.00 0.00 175.35 175.04 2k9z s VAL 78 N 5.11 4.52 0.43 4.02 1.01 -1.10 -2.11 120.40 132.27 2k9z s VAL 78 Ca 0.42 -1.63 0.14 0.00 0.00 0.00 0.00 61.98 60.92 2k9z s VAL 78 Cb -0.08 -4.92 0.16 0.00 0.00 0.00 0.00 36.38 31.54 2k9z s VAL 78 CO 0.24 -1.70 1.95 -0.07 0.00 0.00 0.00 175.10 175.52 2k9z h LEU 79 N 11.10 0.00 -7.95 3.92 3.38 -1.61 -3.36 115.31 120.79 2k9z h LEU 79 Ca 0.23 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 2k9z h LEU 79 Cb 0.97 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.54 2k9z h LEU 79 CO 1.25 0.23 -0.57 -1.61 0.09 0.00 0.00 178.44 177.84 2k9z s GLU 80 N -4.51 0.54 -1.03 1.13 2.02 -0.34 -4.87 118.70 111.65 2k9z s GLU 80 Ca -0.04 -0.78 -0.24 0.00 0.02 0.00 0.00 54.97 53.94 2k9z s GLU 80 Cb 0.15 0.21 -0.08 0.00 0.10 0.00 0.00 34.13 34.51 2k9z s GLU 80 CO 0.70 -0.13 1.98 -1.25 0.02 0.00 0.00 175.26 176.59 2k9z s PRO 81 N -2.55 2.37 0.22 0.39 0.04 -1.26 -3.20 135.00 131.01 2k9z s PRO 81 Ca -0.05 -0.63 -0.30 0.00 0.04 0.00 0.00 61.00 60.06 2k9z s PRO 81 Cb -0.02 -5.12 -0.08 0.00 0.04 0.00 0.00 34.50 29.32 2k9z s PRO 81 CO -0.04 -3.86 1.10 0.54 0.04 0.00 0.00 177.00 174.77 2k9z s VAL 82 N 11.28 3.71 -0.31 -0.36 0.11 -1.26 -4.66 120.40 128.92 2k9z s VAL 82 Ca 0.72 1.58 0.00 0.00 -2.93 0.00 0.00 61.98 61.35 2k9z s VAL 82 Cb -0.04 -4.01 0.07 0.00 -1.53 0.00 0.00 36.38 30.87 2k9z s VAL 82 CO 0.07 0.32 0.01 -0.60 -3.33 0.00 0.00 175.10 171.57 2k9z s ARG 83 N -0.82 2.15 0.02 1.54 3.52 -0.67 -3.53 118.95 121.16 2k9z s ARG 83 Ca 0.47 -1.48 0.07 0.00 -0.13 0.00 0.00 55.73 54.66 2k9z s ARG 83 Cb -0.30 -3.17 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 2k9z s ARG 83 CO 0.37 -0.73 -0.20 -1.59 -0.81 0.00 0.00 175.30 172.34 2k9z s LYS 84 N 1.13 1.44 0.18 5.12 0.00 -0.98 -2.61 119.74 124.02 2k9z s LYS 84 Ca -0.01 -0.83 -0.30 0.00 0.00 0.00 0.00 55.97 54.83 2k9z s LYS 84 Cb -0.20 -1.48 -0.07 0.00 0.00 0.00 0.00 37.83 36.07 2k9z s LYS 84 CO -0.04 0.39 1.01 -1.01 0.00 0.00 0.00 175.35 175.70 2k9z s HIS 85 N -0.66 3.77 0.27 1.78 3.76 -0.72 -2.35 115.29 121.13 2k9z s HIS 85 Ca 0.07 1.76 0.08 0.00 -0.15 0.00 0.00 55.06 56.82 2k9z s HIS 85 Cb -0.08 -3.13 -0.06 0.00 1.11 0.00 0.00 32.58 30.43 2k9z s HIS 85 CO 0.01 -0.06 -0.10 1.52 -0.85 0.00 0.00 174.74 175.26 2k9z s TYR 86 N -0.47 2.01 -0.24 1.40 1.13 -0.97 -0.86 117.35 119.36 2k9z s TYR 86 Ca 0.46 -0.59 -0.19 0.00 -1.41 0.00 0.00 57.07 55.33 2k9z s TYR 86 Cb -0.27 -1.07 0.06 0.00 -1.10 0.00 0.00 41.96 39.59 2k9z s TYR 86 CO 0.33 0.40 0.61 1.21 -2.51 0.00 0.00 175.55 175.59 2k9z s ASN 87 N -3.45 -0.69 0.09 -0.18 2.47 -0.39 -3.72 114.94 109.07 2k9z s ASN 87 Ca 0.28 1.27 -0.09 0.00 0.42 0.00 0.00 52.86 54.75 2k9z s ASN 87 Cb 0.01 1.24 -0.06 0.00 -1.45 0.00 0.00 41.25 41.00 2k9z s ASN 87 CO 0.12 -0.22 0.39 -0.76 -3.72 0.00 0.00 177.10 172.91 2k9z s LEU 88 N 0.68 4.33 0.00 3.21 1.43 -1.26 -2.62 118.68 124.44 2k9z s LEU 88 Ca -0.03 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 2k9z s LEU 88 Cb -0.05 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 43.13 2k9z s LEU 88 CO -0.04 0.15 0.00 2.22 0.23 0.00 0.00 176.35 178.90