#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 -0.83 -2.48 0.03 2.13 -1.26 -4.73 120.64 113.50 2k9z n GLU 2 Ca 0.00 0.55 -0.36 0.00 0.66 0.00 0.00 57.16 58.01 2k9z n GLU 2 Cb 0.00 -1.02 -0.03 0.00 0.27 0.00 0.00 31.44 30.66 2k9z n GLU 2 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2k9z s VAL 3 N -0.67 3.59 0.06 6.31 0.11 -1.26 -3.39 120.40 125.15 2k9z s VAL 3 Ca 0.00 1.19 0.06 0.00 -2.93 0.00 0.00 61.98 60.31 2k9z s VAL 3 Cb 0.00 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.22 2k9z s VAL 3 CO 0.00 -0.02 -0.17 -0.75 -3.33 0.00 0.00 175.10 170.83 2k9z s LYS 4 N -2.60 1.05 0.01 1.54 2.36 -0.41 -5.00 119.74 116.70 2k9z s LYS 4 Ca 0.60 -0.94 0.07 0.00 -2.55 0.00 0.00 55.97 53.15 2k9z s LYS 4 Cb -0.23 -1.15 -0.02 0.00 -1.05 0.00 0.00 37.83 35.38 2k9z s LYS 4 CO 0.29 0.28 -0.20 0.42 1.55 0.00 0.00 175.35 177.68 2k9z s ILE 5 N -1.00 1.61 0.37 5.43 1.01 -1.26 -1.31 121.20 126.04 2k9z s ILE 5 Ca 0.03 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.51 2k9z s ILE 5 Cb -0.09 -1.37 0.05 0.00 0.01 0.00 0.00 42.46 41.07 2k9z s ILE 5 CO 0.02 0.33 0.79 -1.83 0.00 0.00 0.00 174.94 174.25 2k9z s GLU 6 N -0.80 2.15 -0.67 2.79 -1.05 -0.80 -5.02 118.70 115.31 2k9z s GLU 6 Ca 0.07 -1.36 0.02 0.00 -0.15 0.00 0.00 54.97 53.55 2k9z s GLU 6 Cb -0.08 0.62 0.16 0.00 -0.44 0.00 0.00 34.13 34.39 2k9z s GLU 6 CO 0.00 -1.01 0.46 0.15 0.95 0.00 0.00 175.26 175.82 2k9z s LYS 7 N -2.52 2.48 0.00 -4.83 -0.14 -1.26 -1.47 119.74 111.99 2k9z s LYS 7 Ca 0.15 -2.95 0.19 0.00 -1.36 0.00 0.00 55.97 51.99 2k9z s LYS 7 Cb -0.05 -3.55 0.98 0.00 -1.68 0.00 0.00 37.83 33.53 2k9z s LYS 7 CO 0.11 -1.21 1.56 -0.35 -0.76 0.00 0.00 175.35 174.70 2k9z n PRO 8 N 2.68 0.34 -1.52 -1.68 -0.04 -1.26 -4.99 135.00 128.53 2k9z n PRO 8 Ca 0.13 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2k9z n PRO 8 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2k9z n PRO 8 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2k9z n THR 9 N -1.22 -3.11 0.26 0.52 5.66 -1.26 -3.70 114.28 111.43 2k9z n THR 9 Ca 0.10 1.49 0.16 0.00 -3.05 0.00 0.00 64.05 62.75 2k9z n THR 9 Cb 0.13 -2.26 0.86 0.00 -1.55 0.00 0.00 70.33 67.51 2k9z n THR 9 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2k9z h PRO 10 N 0.69 0.00 -0.21 1.09 0.13 -1.97 -0.91 132.00 130.82 2k9z h PRO 10 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.16 2k9z h PRO 10 Cb 0.49 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.56 2k9z h PRO 10 CO 0.00 0.00 -0.47 0.93 -0.23 0.00 0.00 178.00 178.23 2k9z h GLU 11 N 0.00 -0.41 -0.45 0.86 4.39 -2.00 0.29 114.58 117.25 2k9z h GLU 11 Ca 0.00 0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 2k9z h GLU 11 Cb 0.17 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2k9z h GLU 11 CO 0.00 -0.28 -0.17 -0.22 -1.16 0.00 0.00 179.01 177.18 2k9z h LYS 12 N -0.43 0.86 0.00 2.33 1.63 -1.25 -3.02 116.57 116.69 2k9z h LYS 12 Ca 0.04 -0.33 -0.05 0.00 -0.85 0.00 0.00 60.65 59.46 2k9z h LYS 12 Cb 0.55 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 2k9z h LYS 12 CO -0.43 0.97 -0.26 -0.07 -3.45 0.00 0.00 179.45 176.21 2k9z h LEU 13 N 0.76 0.00 0.50 5.20 -0.00 -1.16 0.54 115.31 121.15 2k9z h LEU 13 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.97 2k9z h LEU 13 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 2k9z h LEU 13 CO 0.05 0.26 -0.24 0.11 -0.00 0.00 0.00 178.44 178.62 2k9z h LYS 14 N 0.00 -0.64 0.00 1.13 6.56 -0.36 -2.71 116.57 120.55 2k9z h LYS 14 Ca -0.00 0.04 -0.10 0.00 -1.06 0.00 0.00 60.65 59.53 2k9z h LYS 14 Cb 0.81 0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.60 2k9z h LYS 14 CO 0.03 -0.41 -0.48 0.93 -2.06 0.00 0.00 179.45 177.47 2k9z h GLU 15 N -0.71 0.00 0.00 3.15 4.39 -1.27 -0.26 114.58 119.87 2k9z h GLU 15 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2k9z h GLU 15 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2k9z h GLU 15 CO 0.11 0.48 0.00 1.28 -1.16 0.00 0.00 179.01 179.72 2k9z n LEU 16 N -3.48 0.00 -2.57 1.33 4.32 0.12 -4.91 117.00 111.81 2k9z n LEU 16 Ca 0.00 0.50 -0.20 0.00 -0.02 0.00 0.00 56.01 56.28 2k9z n LEU 16 Cb 0.60 -0.50 0.02 0.00 -1.62 0.00 0.00 43.42 41.92 2k9z n LEU 16 CO 0.39 -0.30 -0.10 -1.20 -1.22 0.00 0.00 177.39 174.96 2k9z n SER 17 N -1.50 -5.73 0.17 -1.43 7.64 -0.11 -4.91 113.62 107.76 2k9z n SER 17 Ca 0.03 -0.17 0.16 0.00 1.01 0.00 0.00 58.87 59.90 2k9z n SER 17 Cb 0.14 -4.64 0.76 0.00 -1.01 0.00 0.00 64.21 59.46 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 -0.78 0.65 -0.35 0.44 2.07 -1.67 0.34 116.25 116.96 2k9z h VAL 18 Ca -0.48 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.14 2k9z h VAL 18 Cb 1.34 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2k9z h VAL 18 CO 0.54 0.00 0.35 1.05 0.02 0.00 0.00 177.57 179.52 2k9z h GLU 19 N 0.00 0.00 0.00 1.57 4.11 -1.91 -2.60 114.58 115.76 2k9z h GLU 19 Ca 0.10 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.37 2k9z h GLU 19 Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2k9z h GLU 19 CO -0.00 0.00 -1.16 0.87 0.07 0.00 0.00 179.01 178.79 2k9z h LYS 20 N 0.00 0.00 -7.28 1.06 1.57 -1.30 -3.48 116.57 107.13 2k9z h LYS 20 Ca 0.16 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.43 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 0.42 0.25 -1.58 -0.57 0.00 0.00 179.45 177.97 2k9z s TRP 21 N -2.89 1.86 -0.12 -1.35 0.52 -0.98 -4.89 118.94 111.09 2k9z s TRP 21 Ca -0.01 1.73 -0.29 0.00 0.02 0.00 0.00 56.10 57.55 2k9z s TRP 21 Cb 0.08 -3.27 -0.04 0.00 -1.15 0.00 0.00 33.47 29.10 2k9z s TRP 21 CO 0.80 -2.56 1.57 -1.25 0.02 0.00 0.00 176.95 175.52 2k9z s PRO 22 N -4.72 4.08 0.42 4.98 0.04 -1.26 -4.93 135.00 133.62 2k9z s PRO 22 Ca 0.65 1.94 -0.26 0.00 0.04 0.00 0.00 61.00 63.37 2k9z s PRO 22 Cb -0.21 -3.96 -0.09 0.00 0.04 0.00 0.00 34.50 30.28 2k9z s PRO 22 CO 0.57 -0.94 1.41 0.42 0.04 0.00 0.00 177.00 178.50 2k9z s ILE 23 N 4.26 2.21 0.01 0.56 1.01 -1.26 -3.83 121.20 124.16 2k9z s ILE 23 Ca 0.69 0.19 0.02 0.00 0.00 0.00 0.00 60.65 61.56 2k9z s ILE 23 Cb -0.29 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 2k9z s ILE 23 CO 0.26 0.03 -0.07 0.86 0.00 0.00 0.00 174.94 176.03 2k9z s TRP 24 N -1.20 0.61 0.14 3.97 -0.00 -1.00 -4.97 118.94 116.49 2k9z s TRP 24 Ca 0.58 -0.23 -0.14 0.00 -0.00 0.00 0.00 56.10 56.31 2k9z s TRP 24 Cb -0.43 -0.38 0.02 0.00 -0.00 0.00 0.00 33.47 32.68 2k9z s TRP 24 CO 0.56 -0.03 0.37 -1.83 -0.00 0.00 0.00 176.95 176.02 2k9z s GLU 25 N -0.60 1.11 0.30 5.86 -1.05 -1.26 -1.81 118.70 121.25 2k9z s GLU 25 Ca -0.01 -0.86 0.01 0.00 -0.15 0.00 0.00 54.97 53.95 2k9z s GLU 25 Cb -0.05 0.44 -0.02 0.00 -0.44 0.00 0.00 34.13 34.07 2k9z s GLU 25 CO 0.00 -0.43 0.34 0.15 0.95 0.00 0.00 175.26 176.27 2k9z s LYS 26 N -3.86 1.68 0.00 -4.83 -0.14 -1.17 -5.01 119.74 106.42 2k9z s LYS 26 Ca 0.07 -1.78 0.00 0.00 -1.36 0.00 0.00 55.97 52.89 2k9z s LYS 26 Cb 0.02 0.37 0.00 0.00 -1.68 0.00 0.00 37.83 36.54 2k9z s LYS 26 CO -0.08 -0.65 0.00 -0.85 -0.76 0.00 0.00 175.35 173.01 2k9z n GLU 27 N -0.51 -0.20 -0.71 1.68 0.28 -1.26 -3.96 120.64 115.96 2k9z n GLU 27 Ca 0.03 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.03 2k9z n GLU 27 Cb 0.63 0.00 0.24 0.00 1.43 0.00 0.00 31.44 33.73 2k9z n GLU 27 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2k9z n VAL 28 N -1.70 2.53 -2.80 3.84 3.14 -1.26 -4.22 118.33 117.86 2k9z n VAL 28 Ca 0.00 -2.21 -0.18 0.00 -2.96 0.00 0.00 64.34 58.99 2k9z n VAL 28 Cb 0.00 -0.31 0.08 0.00 -1.06 0.00 0.00 33.84 32.55 2k9z n VAL 28 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2k9z n SER 29 N -0.77 1.50 -4.48 6.55 2.88 -1.24 -4.72 113.62 113.35 2k9z n SER 29 Ca 0.31 -2.16 -0.24 0.00 -1.33 0.00 0.00 58.87 55.46 2k9z n SER 29 Cb 1.06 -0.46 -0.10 0.00 -0.75 0.00 0.00 64.21 63.96 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 -4.49 1.68 0.00 -1.46 -1.05 -1.26 -1.62 118.70 110.50 2k9z s GLU 30 Ca 0.55 -1.80 0.00 0.00 -0.15 0.00 0.00 54.97 53.57 2k9z s GLU 30 Cb -0.04 -1.67 0.00 0.00 -0.44 0.00 0.00 34.13 31.98 2k9z s GLU 30 CO 0.36 0.26 0.00 1.97 0.95 0.00 0.00 175.26 178.79 2k9z n PHE 31 N -0.64 -0.65 -4.38 4.83 1.16 0.03 -5.00 117.46 112.81 2k9z n PHE 31 Ca -0.05 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.26 2k9z n PHE 31 Cb 0.61 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.36 2k9z n PHE 31 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2k9z s ASP 32 N -0.41 3.18 0.42 5.98 1.11 -1.26 -1.16 116.67 124.53 2k9z s ASP 32 Ca 0.00 -0.79 0.04 0.00 0.18 0.00 0.00 52.55 51.98 2k9z s ASP 32 Cb 0.00 -0.21 -0.02 0.00 1.07 0.00 0.00 42.92 43.76 2k9z s ASP 32 CO 0.00 0.12 0.16 0.86 1.18 0.00 0.00 175.17 177.48 2k9z s TRP 33 N -1.39 1.78 0.00 4.23 -0.11 -0.88 -4.85 118.94 117.71 2k9z s TRP 33 Ca 0.15 -1.37 -0.12 0.00 1.22 0.00 0.00 56.10 55.98 2k9z s TRP 33 Cb -0.09 -1.11 0.01 0.00 -1.50 0.00 0.00 33.47 30.78 2k9z s TRP 33 CO 0.07 -0.39 0.25 -0.47 -4.62 0.00 0.00 176.95 171.79 2k9z s TYR 34 N -3.19 -0.08 -0.32 5.86 6.14 -1.26 -3.60 117.35 120.89 2k9z s TYR 34 Ca 0.23 0.05 -0.00 0.00 0.64 0.00 0.00 57.07 57.99 2k9z s TYR 34 Cb 0.01 0.04 0.10 0.00 0.42 0.00 0.00 41.96 42.54 2k9z s TYR 34 CO 0.16 -0.38 0.11 0.71 0.64 0.00 0.00 175.55 176.78 2k9z s TYR 35 N -1.67 1.80 -2.01 4.97 2.02 -0.60 -5.00 117.35 116.87 2k9z s TYR 35 Ca -0.12 -1.84 0.13 0.00 -0.37 0.00 0.00 57.07 54.87 2k9z s TYR 35 Cb -0.05 -1.77 0.37 0.00 -0.40 0.00 0.00 41.96 40.11 2k9z s TYR 35 CO 0.02 -0.87 1.31 -3.47 -1.57 0.00 0.00 175.55 170.96 2k9z n ASP 36 N 4.70 2.17 -3.58 2.29 2.03 -1.26 -0.71 116.55 122.20 2k9z n ASP 36 Ca -0.01 -1.99 -0.11 0.00 0.52 0.00 0.00 54.79 53.20 2k9z n ASP 36 Cb 0.41 -0.27 -0.03 0.00 -0.72 0.00 0.00 41.12 40.52 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 -1.46 0.01 0.34 5.18 -4.23 -1.26 -4.18 115.64 110.04 2k9z s THR 37 Ca 0.27 -0.37 -0.29 0.00 -1.18 0.00 0.00 61.69 60.12 2k9z s THR 37 Cb 0.14 -1.29 -0.11 0.00 1.34 0.00 0.00 72.50 72.58 2k9z s THR 37 CO 0.19 -0.06 1.50 0.20 -0.54 0.00 0.00 174.62 175.90 2k9z s ASN 38 N -2.81 6.42 -0.25 3.99 0.01 -1.21 -4.42 114.94 116.67 2k9z s ASN 38 Ca 0.04 2.96 -0.03 0.00 -0.71 0.00 0.00 52.86 55.13 2k9z s ASN 38 Cb -0.01 -2.65 0.11 0.00 0.41 0.00 0.00 41.25 39.10 2k9z s ASN 38 CO -0.08 -0.84 0.22 -0.70 -1.51 0.00 0.00 177.10 174.20 2k9z s GLU 39 N -1.50 0.23 0.36 -0.60 2.12 -1.23 -2.20 118.70 115.89 2k9z s GLU 39 Ca 0.56 -0.07 -0.26 0.00 0.36 0.00 0.00 54.97 55.55 2k9z s GLU 39 Cb -0.46 -1.04 -0.09 0.00 0.26 0.00 0.00 34.13 32.80 2k9z s GLU 39 CO 0.57 -0.86 1.12 0.99 -0.54 0.00 0.00 175.26 176.54 2k9z s THR 40 N 2.28 3.38 -0.19 -1.70 2.01 -0.90 -1.86 115.64 118.66 2k9z s THR 40 Ca 0.08 1.21 -0.12 0.00 0.31 0.00 0.00 61.69 63.17 2k9z s THR 40 Cb -0.15 -3.70 0.06 0.00 0.01 0.00 0.00 72.50 68.72 2k9z s THR 40 CO -0.24 0.15 0.48 0.00 -0.69 0.00 0.00 174.62 174.32 2k9z s TYR 42 N 1.26 3.30 -0.29 0.00 5.04 -0.17 -1.01 117.35 125.47 2k9z s TYR 42 Ca -0.08 -1.47 -0.29 0.00 -2.44 0.00 0.00 57.07 52.79 2k9z s TYR 42 Cb -0.07 -2.52 -0.00 0.00 0.35 0.00 0.00 41.96 39.72 2k9z s TYR 42 CO -0.12 -0.77 1.36 0.42 -1.34 0.00 0.00 175.55 175.10 2k9z s ILE 43 N 1.41 4.06 -0.21 3.14 -1.09 -1.09 -1.76 121.20 125.66 2k9z s ILE 43 Ca 0.00 1.19 0.12 0.00 -2.23 0.00 0.00 60.65 59.73 2k9z s ILE 43 Cb -0.21 -4.09 -0.21 0.00 -1.58 0.00 0.00 42.46 36.38 2k9z s ILE 43 CO 0.03 -0.46 -0.03 0.18 -1.23 0.00 0.00 174.94 173.42 2k9z n LEU 44 N 7.82 1.04 -3.71 2.97 4.32 -0.83 -1.42 117.00 127.18 2k9z n LEU 44 Ca 0.15 -0.05 -0.10 0.00 -0.02 0.00 0.00 56.01 56.00 2k9z n LEU 44 Cb 0.46 0.01 -0.04 0.00 -1.62 0.00 0.00 43.42 42.23 2k9z n LEU 44 CO 0.64 0.62 0.20 -1.83 -1.22 0.00 0.00 177.39 175.80 2k9z s GLU 45 N -2.47 1.23 0.59 3.23 1.03 -1.14 -4.73 118.70 116.43 2k9z s GLU 45 Ca -0.18 -0.83 0.00 0.00 0.03 0.00 0.00 54.97 54.00 2k9z s GLU 45 Cb 0.07 0.49 0.00 0.00 -0.80 0.00 0.00 34.13 33.88 2k9z s GLU 45 CO 0.71 -0.50 0.00 0.41 -1.33 0.00 0.00 175.26 174.55 2k9z n GLY 46 N -0.28 -2.19 3.16 -3.83 0.00 -1.26 -1.24 105.19 99.55 2k9z n GLY 46 Ca -0.12 -1.60 -0.12 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 -0.24 0.52 0.05 1.61 2.36 -1.12 -3.84 119.74 119.08 2k9z s LYS 47 Ca 0.00 -0.20 0.02 0.00 -2.55 0.00 0.00 55.97 53.23 2k9z s LYS 47 Cb 0.00 0.23 -0.03 0.00 -1.05 0.00 0.00 37.83 36.98 2k9z s LYS 47 CO 0.00 -0.13 -0.06 0.08 1.55 0.00 0.00 175.35 176.79 2k9z s VAL 48 N -1.11 0.46 -0.36 4.02 1.01 -1.03 -1.08 120.40 122.31 2k9z s VAL 48 Ca -0.12 -1.21 0.03 0.00 0.00 0.00 0.00 61.98 60.68 2k9z s VAL 48 Cb -0.06 -0.74 0.11 0.00 0.00 0.00 0.00 36.38 35.69 2k9z s VAL 48 CO 0.02 -0.51 0.10 -1.61 0.00 0.00 0.00 175.10 173.11 2k9z s GLU 49 N -2.00 1.38 0.06 2.72 2.02 0.04 -2.46 118.70 120.45 2k9z s GLU 49 Ca -0.07 -1.82 -0.23 0.00 0.02 0.00 0.00 54.97 52.86 2k9z s GLU 49 Cb -0.07 -2.92 -0.06 0.00 0.10 0.00 0.00 34.13 31.18 2k9z s GLU 49 CO -0.01 -0.99 0.70 0.08 0.02 0.00 0.00 175.26 175.06 2k9z s VAL 50 N 0.85 4.71 -0.06 2.63 1.01 -1.16 -1.29 120.40 127.09 2k9z s VAL 50 Ca 0.12 1.50 -0.01 0.00 0.00 0.00 0.00 61.98 63.59 2k9z s VAL 50 Cb -0.20 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.16 2k9z s VAL 50 CO -0.10 0.43 0.01 -0.89 0.00 0.00 0.00 175.10 174.55 2k9z s THR 51 N -0.42 0.29 0.88 3.92 2.01 -1.18 -0.24 115.64 120.89 2k9z s THR 51 Ca 0.35 0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.37 2k9z s THR 51 Cb -0.20 -0.44 0.12 0.00 0.01 0.00 0.00 72.50 71.99 2k9z s THR 51 CO 0.22 0.23 1.15 0.42 -0.69 0.00 0.00 174.62 175.94 2k9z s THR 52 N 1.75 2.04 0.32 -0.82 -4.23 -0.66 -0.80 115.64 113.23 2k9z s THR 52 Ca 0.01 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.55 2k9z s THR 52 Cb -0.13 -2.83 0.18 0.00 1.34 0.00 0.00 72.50 71.06 2k9z s THR 52 CO -0.04 -0.02 1.89 1.05 -0.54 0.00 0.00 174.62 176.96 2k9z h GLU 53 N -1.36 0.72 -0.62 3.99 4.11 -1.91 -1.91 114.58 117.59 2k9z h GLU 53 Ca -0.49 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 58.82 2k9z h GLU 53 Cb 1.33 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k9z h GLU 53 CO 0.63 0.63 0.00 -3.47 0.07 0.00 0.00 179.01 176.87 2k9z n ASP 54 N -4.31 1.21 0.00 3.06 2.03 -1.26 -4.89 116.55 112.38 2k9z n ASP 54 Ca 0.03 -2.08 0.00 0.00 0.52 0.00 0.00 54.79 53.27 2k9z n ASP 54 Cb 0.19 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 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 0.30 0.71 3.58 0.27 0.00 -0.72 -4.95 105.19 104.39 2k9z n GLY 55 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.08 3.05 0.75 1.61 -0.14 -1.26 -4.85 119.74 118.82 2k9z s LYS 56 Ca 0.00 1.30 -0.12 0.00 -1.36 0.00 0.00 55.97 55.78 2k9z s LYS 56 Cb 0.00 -4.29 0.05 0.00 -1.68 0.00 0.00 37.83 31.91 2k9z s LYS 56 CO 0.00 -2.20 1.12 0.21 -0.76 0.00 0.00 175.35 173.72 2k9z s LYS 57 N 6.26 2.21 0.06 1.68 2.47 -1.26 -1.66 119.74 129.51 2k9z s LYS 57 Ca 0.80 1.39 0.01 0.00 -1.56 0.00 0.00 55.97 56.61 2k9z s LYS 57 Cb -0.21 -1.88 -0.03 0.00 -1.46 0.00 0.00 37.83 34.25 2k9z s LYS 57 CO 0.30 -1.71 -0.06 0.71 0.16 0.00 0.00 175.35 174.75 2k9z s TYR 58 N -2.55 0.69 -0.03 4.03 1.51 0.67 -4.95 117.35 116.72 2k9z s TYR 58 Ca 0.66 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 2k9z s TYR 58 Cb -0.21 -0.42 0.03 0.00 -0.11 0.00 0.00 41.96 41.25 2k9z s TYR 58 CO 0.50 -0.17 0.02 0.08 -1.11 0.00 0.00 175.55 174.87 2k9z s VAL 59 N -2.69 0.07 -0.07 0.71 1.01 -1.26 -2.96 120.40 115.20 2k9z s VAL 59 Ca 0.01 0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 2k9z s VAL 59 Cb -0.01 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.20 2k9z s VAL 59 CO -0.03 0.13 -0.03 0.27 0.00 0.00 0.00 175.10 175.43 2k9z s ILE 60 N 1.13 0.54 0.52 2.22 -4.36 -1.03 -5.03 121.20 115.20 2k9z s ILE 60 Ca -0.08 -0.03 0.08 0.00 -0.26 0.00 0.00 60.65 60.36 2k9z s ILE 60 Cb -0.13 -0.63 0.05 0.00 1.25 0.00 0.00 42.46 42.99 2k9z s ILE 60 CO -0.02 0.27 0.60 -1.61 0.24 0.00 0.00 174.94 174.41 2k9z s GLU 61 N 1.57 2.40 0.09 0.37 2.02 -1.26 -2.47 118.70 121.42 2k9z s GLU 61 Ca -0.00 -1.67 -0.32 0.00 0.02 0.00 0.00 54.97 52.99 2k9z s GLU 61 Cb -0.13 -2.47 -0.11 0.00 0.10 0.00 0.00 34.13 31.51 2k9z s GLU 61 CO -0.04 -0.62 1.80 0.36 0.02 0.00 0.00 175.26 176.79 2k9z n LYS 62 N -1.96 2.57 -0.01 1.61 2.85 -1.25 -2.06 118.16 119.92 2k9z n LYS 62 Ca 0.08 0.94 0.00 0.00 -1.05 0.00 0.00 58.31 58.28 2k9z n LYS 62 Cb 0.62 -2.80 0.00 0.00 -0.65 0.00 0.00 35.03 32.20 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 4.12 0.50 3.66 2.58 0.00 -0.50 -5.00 105.19 110.54 2k9z n GLY 63 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.99 6.53 0.22 1.61 1.01 -0.87 -4.66 116.67 117.52 2k9z s ASP 64 Ca 0.00 0.64 -0.15 0.00 0.71 0.00 0.00 52.55 53.75 2k9z s ASP 64 Cb 0.00 -2.28 -0.08 0.00 1.01 0.00 0.00 42.92 41.57 2k9z s ASP 64 CO 0.00 -0.18 0.64 -0.22 0.21 0.00 0.00 175.17 175.62 2k9z s LEU 65 N 1.68 4.25 0.10 1.23 2.96 -0.54 -2.67 118.68 125.68 2k9z s LEU 65 Ca 0.23 1.19 0.08 0.00 -0.22 0.00 0.00 54.13 55.41 2k9z s LEU 65 Cb -0.15 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 2k9z s LEU 65 CO 0.09 -0.01 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.23 2k9z s VAL 66 N -1.65 1.62 -0.19 1.68 1.01 -0.18 -1.91 120.40 120.78 2k9z s VAL 66 Ca 0.44 -1.54 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 2k9z s VAL 66 Cb -0.14 -1.50 0.06 0.00 0.00 0.00 0.00 36.38 34.79 2k9z s VAL 66 CO 0.20 -0.11 0.01 -0.89 0.00 0.00 0.00 175.10 174.30 2k9z s THR 67 N -1.27 0.70 0.61 3.92 2.01 -0.42 -0.59 115.64 120.59 2k9z s THR 67 Ca 0.06 -0.59 -0.15 0.00 0.31 0.00 0.00 61.69 61.32 2k9z s THR 67 Cb -0.10 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 2k9z s THR 67 CO 0.04 -0.12 1.06 -0.36 -0.69 0.00 0.00 174.62 174.55 2k9z s PHE 68 N 1.79 3.02 0.00 4.92 0.08 -0.78 -1.29 117.98 125.72 2k9z s PHE 68 Ca -0.01 1.49 0.00 0.00 0.12 0.00 0.00 56.93 58.54 2k9z s PHE 68 Cb -0.17 -2.98 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 2k9z s PHE 68 CO -0.07 -1.13 0.00 -0.35 -0.10 0.00 0.00 175.22 173.57 2k9z n PRO 69 N -2.24 0.21 -3.38 0.24 -0.04 -1.22 -3.49 135.00 125.09 2k9z n PRO 69 Ca 0.08 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.15 2k9z n PRO 69 Cb 0.53 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.90 2k9z n PRO 69 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2k9z s LYS 70 N -1.56 4.04 0.00 0.54 2.20 -1.26 -3.32 119.74 120.38 2k9z s LYS 70 Ca 0.00 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 2k9z s LYS 70 Cb 0.00 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2k9z s LYS 70 CO 0.00 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 2k9z n GLY 71 N 4.54 -1.52 3.04 5.54 0.00 0.11 -4.84 105.19 112.07 2k9z n GLY 71 Ca -0.08 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.15 1.54 -0.11 0.99 2.96 -0.57 -4.99 118.68 118.35 2k9z s LEU 72 Ca 0.00 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2k9z s LEU 72 Cb 0.00 0.51 -0.01 0.00 0.50 0.00 0.00 46.19 47.19 2k9z s LEU 72 CO 0.00 -0.16 -0.16 0.00 -1.32 0.00 0.00 176.35 174.71 2k9z s ARG 73 N -0.45 3.19 0.15 1.98 3.03 -1.26 -1.56 118.95 124.04 2k9z s ARG 73 Ca -0.05 -0.73 -0.25 0.00 2.03 0.00 0.00 55.73 56.73 2k9z s ARG 73 Cb -0.03 -2.52 0.06 0.00 -1.03 0.00 0.00 34.95 31.43 2k9z s ARG 73 CO 0.01 0.26 0.90 0.00 -1.13 0.00 0.00 175.30 175.34 2k9z s ARG 75 N -3.38 1.49 -0.17 0.00 3.52 0.02 -2.08 118.95 118.35 2k9z s ARG 75 Ca 0.11 0.43 -0.04 0.00 -0.13 0.00 0.00 55.73 56.10 2k9z s ARG 75 Cb -0.02 -1.87 0.08 0.00 -1.56 0.00 0.00 34.95 31.58 2k9z s ARG 75 CO 0.01 -1.98 0.20 -1.58 -0.81 0.00 0.00 175.30 171.14 2k9z s TRP 76 N -3.23 -0.22 -0.34 5.12 0.52 -0.31 -3.12 118.94 117.37 2k9z s TRP 76 Ca 0.63 0.32 -0.06 0.00 0.02 0.00 0.00 56.10 57.01 2k9z s TRP 76 Cb -0.15 -0.35 0.05 0.00 -1.15 0.00 0.00 33.47 31.87 2k9z s TRP 76 CO 0.54 -0.50 0.10 0.21 0.02 0.00 0.00 176.95 177.31 2k9z s LYS 77 N 2.31 2.56 -0.64 4.98 2.47 -0.41 -0.79 119.74 130.21 2k9z s LYS 77 Ca 0.05 -1.24 -0.23 0.00 -1.56 0.00 0.00 55.97 52.99 2k9z s LYS 77 Cb -0.15 -3.43 0.06 0.00 -1.46 0.00 0.00 37.83 32.85 2k9z s LYS 77 CO -0.10 -0.69 0.99 0.08 0.16 0.00 0.00 175.35 175.79 2k9z s VAL 78 N 1.36 4.27 -0.44 4.02 1.01 -0.64 -0.78 120.40 129.21 2k9z s VAL 78 Ca -0.02 -0.14 0.23 0.00 0.00 0.00 0.00 61.98 62.06 2k9z s VAL 78 Cb -0.20 -4.68 0.22 0.00 0.00 0.00 0.00 36.38 31.72 2k9z s VAL 78 CO 0.02 -1.43 1.46 -0.07 0.00 0.00 0.00 175.10 175.07 2k9z h LEU 79 N 11.46 0.00 -7.52 3.92 3.38 -1.38 -3.28 115.31 121.89 2k9z h LEU 79 Ca -0.28 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.53 2k9z h LEU 79 Cb 1.07 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.60 2k9z h LEU 79 CO 1.17 0.01 -0.35 -1.61 0.09 0.00 0.00 178.44 177.75 2k9z s GLU 80 N -3.23 0.51 -0.79 1.13 0.41 -1.03 -4.87 118.70 110.83 2k9z s GLU 80 Ca 0.05 0.00 -0.26 0.00 -0.41 0.00 0.00 54.97 54.36 2k9z s GLU 80 Cb 0.08 0.23 -0.12 0.00 -1.78 0.00 0.00 34.13 32.54 2k9z s GLU 80 CO 0.70 -0.12 2.34 -1.25 -0.49 0.00 0.00 175.26 176.44 2k9z s PRO 81 N -0.77 1.76 0.55 0.39 0.04 -1.26 -2.78 135.00 132.93 2k9z s PRO 81 Ca -0.09 0.44 -0.20 0.00 0.04 0.00 0.00 61.00 61.20 2k9z s PRO 81 Cb -0.04 -4.80 -0.05 0.00 0.04 0.00 0.00 34.50 29.64 2k9z s PRO 81 CO 0.02 -4.23 1.18 0.54 0.04 0.00 0.00 177.00 174.55 2k9z s VAL 82 N 14.00 2.87 -0.19 -0.36 0.11 -1.25 -4.48 120.40 131.09 2k9z s VAL 82 Ca 0.90 0.56 -0.01 0.00 -2.93 0.00 0.00 61.98 60.50 2k9z s VAL 82 Cb -0.12 -3.24 0.05 0.00 -1.53 0.00 0.00 36.38 31.54 2k9z s VAL 82 CO 0.08 -0.10 -0.03 -0.60 -3.33 0.00 0.00 175.10 171.12 2k9z s ARG 83 N -3.20 1.31 0.01 1.54 3.52 -0.37 -3.06 118.95 118.69 2k9z s ARG 83 Ca 0.73 -0.63 0.03 0.00 -0.13 0.00 0.00 55.73 55.73 2k9z s ARG 83 Cb -0.28 -2.19 -0.01 0.00 -1.56 0.00 0.00 34.95 30.91 2k9z s ARG 83 CO 0.32 -0.53 -0.09 -1.59 -0.81 0.00 0.00 175.30 172.60 2k9z s LYS 84 N 1.62 0.70 -0.68 5.12 0.00 -0.75 -1.97 119.74 123.78 2k9z s LYS 84 Ca -0.02 -0.43 -0.25 0.00 0.00 0.00 0.00 55.97 55.28 2k9z s LYS 84 Cb -0.17 -0.66 0.05 0.00 0.00 0.00 0.00 37.83 37.05 2k9z s LYS 84 CO -0.07 0.17 1.10 -1.01 0.00 0.00 0.00 175.35 175.54 2k9z s HIS 85 N -0.45 2.53 0.36 1.78 3.76 -0.72 -2.37 115.29 120.18 2k9z s HIS 85 Ca 0.01 -0.25 -0.08 0.00 -0.15 0.00 0.00 55.06 54.59 2k9z s HIS 85 Cb -0.05 -4.41 -0.06 0.00 1.11 0.00 0.00 32.58 29.17 2k9z s HIS 85 CO 0.00 -1.79 0.68 1.52 -0.85 0.00 0.00 174.74 174.30 2k9z s TYR 86 N 4.75 3.47 -0.23 1.40 1.13 -1.25 -1.00 117.35 125.63 2k9z s TYR 86 Ca 0.29 0.87 -0.04 0.00 -1.41 0.00 0.00 57.07 56.78 2k9z s TYR 86 Cb -0.12 -2.29 0.12 0.00 -1.10 0.00 0.00 41.96 38.56 2k9z s TYR 86 CO 0.14 0.01 0.39 1.21 -2.51 0.00 0.00 175.55 174.78 2k9z s ASN 87 N -3.18 0.08 0.72 -0.18 2.47 0.50 -4.04 114.94 111.31 2k9z s ASN 87 Ca 0.48 0.45 -0.16 0.00 0.42 0.00 0.00 52.86 54.06 2k9z s ASN 87 Cb -0.10 1.19 0.03 0.00 -1.45 0.00 0.00 41.25 40.91 2k9z s ASN 87 CO 0.31 -0.28 1.23 -0.76 -3.72 0.00 0.00 177.10 173.88 2k9z s LEU 88 N 2.57 3.36 0.00 3.21 1.43 -1.26 -2.12 118.68 125.87 2k9z s LEU 88 Ca 0.09 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 2k9z s LEU 88 Cb -0.14 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.48 2k9z s LEU 88 CO -0.15 -2.25 0.00 2.22 0.23 0.00 0.00 176.35 176.40