#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 0.00 -2.42 0.03 4.07 -1.26 -4.43 120.64 116.63 2k9z n GLU 2 Ca 0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 2k9z n GLU 2 Cb 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.35 2k9z n GLU 2 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2k9z s VAL 3 N 0.00 3.81 0.20 6.31 0.11 -1.26 -3.20 120.40 126.37 2k9z s VAL 3 Ca 0.00 0.69 -0.30 0.00 -2.93 0.00 0.00 61.98 59.44 2k9z s VAL 3 Cb 0.00 -4.49 -0.08 0.00 -1.53 0.00 0.00 36.38 30.29 2k9z s VAL 3 CO 0.00 -1.21 1.09 -0.75 -3.33 0.00 0.00 175.10 170.90 2k9z s LYS 4 N 5.45 4.62 -0.01 1.54 2.20 0.13 -4.95 119.74 128.73 2k9z s LYS 4 Ca 0.51 1.71 0.02 0.00 -0.36 0.00 0.00 55.97 57.85 2k9z s LYS 4 Cb -0.10 -3.27 -0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2k9z s LYS 4 CO 0.25 0.12 -0.05 0.42 -0.36 0.00 0.00 175.35 175.73 2k9z s ILE 5 N -0.43 0.44 0.22 5.43 1.01 -1.26 -1.18 121.20 125.43 2k9z s ILE 5 Ca 0.48 -0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.68 2k9z s ILE 5 Cb -0.29 -0.37 0.06 0.00 0.01 0.00 0.00 42.46 41.87 2k9z s ILE 5 CO 0.36 0.13 0.94 -1.83 0.00 0.00 0.00 174.94 174.53 2k9z s GLU 6 N -0.10 1.51 -0.86 2.79 -1.05 -1.05 -5.04 118.70 114.89 2k9z s GLU 6 Ca 0.02 -0.92 -0.09 0.00 -0.15 0.00 0.00 54.97 53.83 2k9z s GLU 6 Cb -0.02 0.46 0.22 0.00 -0.44 0.00 0.00 34.13 34.34 2k9z s GLU 6 CO -0.00 -0.70 0.78 0.15 0.95 0.00 0.00 175.26 176.44 2k9z s LYS 7 N -2.71 3.47 1.08 -4.83 3.01 -1.26 -0.87 119.74 117.63 2k9z s LYS 7 Ca 0.16 -2.78 -0.12 0.00 -1.01 0.00 0.00 55.97 52.22 2k9z s LYS 7 Cb -0.03 -4.24 0.23 0.00 -1.01 0.00 0.00 37.83 32.79 2k9z s LYS 7 CO 0.06 -1.25 1.06 -1.25 0.51 0.00 0.00 175.35 174.48 2k9z s PRO 8 N -0.46 -0.23 0.39 -1.68 0.04 -1.26 -4.99 135.00 126.82 2k9z s PRO 8 Ca 0.22 0.83 -0.26 0.00 0.04 0.00 0.00 61.00 61.84 2k9z s PRO 8 Cb -0.12 -1.64 -0.09 0.00 0.04 0.00 0.00 34.50 32.70 2k9z s PRO 8 CO -0.08 -3.26 1.19 -0.08 0.04 0.00 0.00 177.00 174.81 2k9z s THR 9 N -2.64 3.07 0.24 1.26 -1.32 -1.26 -4.94 115.64 110.05 2k9z s THR 9 Ca 0.67 0.93 0.36 0.00 -1.21 0.00 0.00 61.69 62.44 2k9z s THR 9 Cb -0.23 -3.53 0.39 0.00 -1.51 0.00 0.00 72.50 67.63 2k9z s THR 9 CO 0.62 0.10 2.08 1.55 -2.21 0.00 0.00 174.62 176.76 2k9z h PRO 10 N 2.73 0.00 -0.25 7.08 0.13 -1.98 -1.93 132.00 137.78 2k9z h PRO 10 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k9z h PRO 10 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2k9z h PRO 10 CO 0.63 0.00 0.16 0.93 -0.23 0.00 0.00 178.00 179.49 2k9z h GLU 11 N 0.00 0.32 -0.50 0.86 5.08 -2.00 -1.07 114.58 117.27 2k9z h GLU 11 Ca 0.00 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 2k9z h GLU 11 Cb 0.31 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2k9z h GLU 11 CO 0.00 0.21 0.00 -0.22 -1.00 0.00 0.00 179.01 178.00 2k9z h LYS 12 N 0.33 0.84 0.00 2.33 1.63 -1.74 -1.85 116.57 118.11 2k9z h LYS 12 Ca 0.09 -0.23 -0.06 0.00 -0.85 0.00 0.00 60.65 59.60 2k9z h LYS 12 Cb -0.03 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 2k9z h LYS 12 CO -0.02 0.84 -0.28 -0.07 -3.45 0.00 0.00 179.45 176.47 2k9z h LEU 13 N 0.78 0.00 -0.22 5.20 3.38 -1.29 -1.18 115.31 121.98 2k9z h LEU 13 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2k9z h LEU 13 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2k9z h LEU 13 CO 0.02 0.28 0.05 0.11 0.09 0.00 0.00 178.44 178.98 2k9z h LYS 14 N 0.00 0.36 -0.14 1.13 6.56 -0.38 -3.13 116.57 120.96 2k9z h LYS 14 Ca -0.00 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 2k9z h LYS 14 Cb 0.61 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.22 2k9z h LYS 14 CO 0.04 0.48 0.09 0.93 -2.06 0.00 0.00 179.45 178.93 2k9z h GLU 15 N 0.17 0.19 0.00 3.15 5.08 -0.87 -0.42 114.58 121.88 2k9z h GLU 15 Ca 0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2k9z h GLU 15 Cb 0.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k9z h GLU 15 CO 0.00 0.13 0.18 1.28 -1.00 0.00 0.00 179.01 179.60 2k9z n LEU 16 N -4.99 0.42 -3.84 1.33 4.32 -0.51 -4.84 117.00 108.89 2k9z n LEU 16 Ca -0.04 0.63 -0.26 0.00 -0.02 0.00 0.00 56.01 56.32 2k9z n LEU 16 Cb 0.03 -0.63 0.02 0.00 -1.62 0.00 0.00 43.42 41.23 2k9z n LEU 16 CO 0.34 -0.77 0.00 -1.20 -1.22 0.00 0.00 177.39 174.54 2k9z n SER 17 N -2.12 -2.89 0.03 -1.43 7.64 -0.17 -4.85 113.62 109.82 2k9z n SER 17 Ca -0.01 -0.82 0.14 0.00 1.01 0.00 0.00 58.87 59.19 2k9z n SER 17 Cb 0.21 -3.87 0.60 0.00 -1.01 0.00 0.00 64.21 60.15 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 -1.97 0.86 -1.28 0.44 2.07 -1.80 0.15 116.25 114.72 2k9z h VAL 18 Ca -0.60 -0.06 0.38 0.00 0.82 0.00 0.00 66.70 67.25 2k9z h VAL 18 Cb 1.37 0.68 -0.10 0.00 -1.52 0.00 0.00 31.29 31.72 2k9z h VAL 18 CO 0.63 0.03 0.85 1.05 0.02 0.00 0.00 177.57 180.15 2k9z h GLU 19 N 0.17 0.15 0.00 1.57 4.11 -1.89 -1.54 114.58 117.15 2k9z h GLU 19 Ca 0.20 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.54 2k9z h GLU 19 Cb 0.59 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2k9z h GLU 19 CO -0.03 0.10 -0.72 0.87 0.07 0.00 0.00 179.01 179.30 2k9z h LYS 20 N 0.15 0.00 -7.26 1.06 1.57 -1.05 -3.48 116.57 107.56 2k9z h LYS 20 Ca 0.72 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 59.02 2k9z h LYS 20 Cb 2.32 0.00 0.18 0.00 0.08 0.00 0.00 32.23 34.81 2k9z h LYS 20 CO -0.28 0.28 0.18 -1.58 -0.57 0.00 0.00 179.45 177.48 2k9z s TRP 21 N -3.06 1.87 0.33 -1.35 0.52 -0.58 -4.96 118.94 111.71 2k9z s TRP 21 Ca 0.02 1.41 -0.29 0.00 0.02 0.00 0.00 56.10 57.26 2k9z s TRP 21 Cb 0.08 -3.19 -0.10 0.00 -1.15 0.00 0.00 33.47 29.10 2k9z s TRP 21 CO 0.76 -2.88 1.32 -1.25 0.02 0.00 0.00 176.95 174.91 2k9z s PRO 22 N -4.72 4.34 0.45 4.98 0.04 -1.25 -4.90 135.00 133.94 2k9z s PRO 22 Ca 0.66 2.23 -0.18 0.00 0.04 0.00 0.00 61.00 63.75 2k9z s PRO 22 Cb -0.21 -3.07 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 2k9z s PRO 22 CO 0.59 -0.20 0.92 0.42 0.04 0.00 0.00 177.00 178.77 2k9z s ILE 23 N -1.13 4.51 0.01 0.56 1.01 -1.26 -2.24 121.20 122.66 2k9z s ILE 23 Ca 0.49 1.26 -0.01 0.00 0.00 0.00 0.00 60.65 62.39 2k9z s ILE 23 Cb -0.40 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 2k9z s ILE 23 CO 0.53 -0.45 0.00 0.86 0.00 0.00 0.00 174.94 175.88 2k9z s TRP 24 N -2.33 0.17 0.05 3.97 -0.00 -0.85 -4.93 118.94 115.02 2k9z s TRP 24 Ca 0.59 -0.36 -0.05 0.00 -0.00 0.00 0.00 56.10 56.28 2k9z s TRP 24 Cb -0.10 -0.13 -0.01 0.00 -0.00 0.00 0.00 33.47 33.23 2k9z s TRP 24 CO 0.22 -0.17 0.09 -1.83 -0.00 0.00 0.00 176.95 175.26 2k9z s GLU 25 N -1.16 0.65 0.24 5.86 4.04 -1.26 -2.80 118.70 124.27 2k9z s GLU 25 Ca -0.13 -0.90 -0.12 0.00 0.04 0.00 0.00 54.97 53.87 2k9z s GLU 25 Cb -0.08 0.25 -0.01 0.00 0.02 0.00 0.00 34.13 34.32 2k9z s GLU 25 CO -0.00 -0.17 0.45 0.21 -1.84 0.00 0.00 175.26 173.91 2k9z s LYS 26 N -3.16 1.50 1.22 -4.83 2.20 -1.26 -5.08 119.74 110.32 2k9z s LYS 26 Ca -0.00 -1.26 -0.18 0.00 -0.36 0.00 0.00 55.97 54.17 2k9z s LYS 26 Cb 0.02 0.46 0.29 0.00 -1.51 0.00 0.00 37.83 37.09 2k9z s LYS 26 CO -0.07 -0.62 1.05 -1.21 -0.36 0.00 0.00 175.35 174.14 2k9z s GLU 27 N -4.02 -1.33 -0.29 4.03 0.41 -1.26 -4.62 118.70 111.62 2k9z s GLU 27 Ca 0.23 0.24 0.05 0.00 -0.41 0.00 0.00 54.97 55.08 2k9z s GLU 27 Cb -0.00 -1.56 0.52 0.00 -1.78 0.00 0.00 34.13 31.31 2k9z s GLU 27 CO 0.08 -3.85 1.61 0.28 -0.49 0.00 0.00 175.26 172.89 2k9z n VAL 28 N -4.92 2.47 -2.59 2.63 0.31 -1.26 -4.83 118.33 110.14 2k9z n VAL 28 Ca 0.09 -1.31 -0.23 0.00 -0.01 0.00 0.00 64.34 62.89 2k9z n VAL 28 Cb 0.58 -0.54 0.10 0.00 -0.91 0.00 0.00 33.84 33.07 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 -0.65 4.48 -0.05 4.52 0.15 -1.26 -4.66 113.70 116.23 2k9z s SER 29 Ca 0.41 -0.31 -0.02 0.00 0.70 0.00 0.00 55.95 56.74 2k9z s SER 29 Cb 0.34 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 2k9z s SER 29 CO 0.09 -1.76 0.06 -0.70 1.20 0.00 0.00 173.24 172.13 2k9z s GLU 30 N -5.09 3.09 0.01 5.44 2.12 -1.26 -1.77 118.70 121.24 2k9z s GLU 30 Ca 0.65 -0.40 -0.00 0.00 0.36 0.00 0.00 54.97 55.58 2k9z s GLU 30 Cb -0.06 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.44 2k9z s GLU 30 CO 0.43 0.69 0.02 1.97 -0.54 0.00 0.00 175.26 177.83 2k9z n PHE 31 N 1.66 -0.39 -4.26 5.30 -1.74 0.32 -5.00 117.46 113.35 2k9z n PHE 31 Ca -0.16 -0.08 -0.19 0.00 -0.56 0.00 0.00 57.45 56.45 2k9z n PHE 31 Cb 0.53 0.02 -0.11 0.00 1.52 0.00 0.00 39.48 41.44 2k9z n PHE 31 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2k9z s ASP 32 N -1.08 2.17 0.03 5.98 1.11 -1.26 -0.67 116.67 122.95 2k9z s ASP 32 Ca 0.01 -0.83 0.03 0.00 0.18 0.00 0.00 52.55 51.94 2k9z s ASP 32 Cb -0.00 -0.09 -0.02 0.00 1.07 0.00 0.00 42.92 43.88 2k9z s ASP 32 CO 0.01 -0.12 -0.08 0.86 1.18 0.00 0.00 175.17 177.02 2k9z s TRP 33 N -2.14 0.72 -0.30 4.23 -0.11 -0.72 -4.77 118.94 115.86 2k9z s TRP 33 Ca 0.11 -0.34 -0.03 0.00 1.22 0.00 0.00 56.10 57.06 2k9z s TRP 33 Cb -0.05 -0.44 0.04 0.00 -1.50 0.00 0.00 33.47 31.53 2k9z s TRP 33 CO 0.04 -0.04 0.01 -0.47 -4.62 0.00 0.00 176.95 171.87 2k9z s TYR 34 N -0.88 3.22 -0.16 5.86 6.14 -1.26 -1.44 117.35 128.83 2k9z s TYR 34 Ca -0.04 -1.72 -0.29 0.00 0.64 0.00 0.00 57.07 55.66 2k9z s TYR 34 Cb -0.07 -2.13 -0.00 0.00 0.42 0.00 0.00 41.96 40.18 2k9z s TYR 34 CO 0.00 -0.77 1.05 0.71 0.64 0.00 0.00 175.55 177.18 2k9z s TYR 35 N 1.30 3.38 0.00 4.97 2.02 0.42 -4.90 117.35 124.53 2k9z s TYR 35 Ca -0.04 1.48 0.00 0.00 -0.37 0.00 0.00 57.07 58.15 2k9z s TYR 35 Cb -0.19 -3.26 0.00 0.00 -0.40 0.00 0.00 41.96 38.11 2k9z s TYR 35 CO -0.01 -0.48 0.82 -0.40 -1.57 0.00 0.00 175.55 173.91 2k9z n ASP 36 N 5.71 1.64 -3.46 2.29 5.75 -1.26 -1.02 116.55 126.20 2k9z n ASP 36 Ca 0.11 -1.65 -0.09 0.00 -0.01 0.00 0.00 54.79 53.14 2k9z n ASP 36 Cb 0.47 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.55 2k9z n ASP 36 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2k9z s THR 37 N -0.65 0.00 -0.97 2.12 -4.23 -1.26 -4.55 115.64 106.10 2k9z s THR 37 Ca 0.00 -1.15 -0.24 0.00 -1.18 0.00 0.00 61.69 59.11 2k9z s THR 37 Cb 0.00 -2.44 -0.08 0.00 1.34 0.00 0.00 72.50 71.32 2k9z s THR 37 CO 0.00 0.00 2.00 0.20 -0.54 0.00 0.00 174.62 176.28 2k9z s ASN 38 N -3.03 4.90 -0.46 3.99 0.01 -1.24 -4.49 114.94 114.62 2k9z s ASN 38 Ca 0.17 -0.86 -0.27 0.00 -0.71 0.00 0.00 52.86 51.19 2k9z s ASN 38 Cb -0.04 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.08 2k9z s ASN 38 CO 0.11 -3.04 1.00 -0.70 -1.51 0.00 0.00 177.10 172.95 2k9z s GLU 39 N 7.14 3.61 0.00 -0.60 2.12 -1.26 -1.78 118.70 127.93 2k9z s GLU 39 Ca 0.73 0.32 -0.21 0.00 0.36 0.00 0.00 54.97 56.16 2k9z s GLU 39 Cb -0.06 -3.91 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 2k9z s GLU 39 CO 0.05 -1.26 0.62 0.99 -0.54 0.00 0.00 175.26 175.12 2k9z s THR 40 N 3.97 4.89 0.02 -1.70 2.01 0.07 -1.60 115.64 123.29 2k9z s THR 40 Ca 0.41 1.31 -0.00 0.00 0.31 0.00 0.00 61.69 63.72 2k9z s THR 40 Cb -0.09 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 2k9z s THR 40 CO 0.28 0.40 -0.02 0.00 -0.69 0.00 0.00 174.62 174.59 2k9z s TYR 42 N -1.34 1.96 -0.12 0.00 5.04 0.01 -1.30 117.35 121.60 2k9z s TYR 42 Ca -0.15 -1.20 -0.29 0.00 -2.44 0.00 0.00 57.07 53.00 2k9z s TYR 42 Cb -0.09 -1.45 -0.01 0.00 0.35 0.00 0.00 41.96 40.76 2k9z s TYR 42 CO -0.01 -0.65 0.97 0.42 -1.34 0.00 0.00 175.55 174.95 2k9z s ILE 43 N 1.55 4.80 -0.12 3.14 -1.09 -1.22 -1.79 121.20 126.47 2k9z s ILE 43 Ca 0.02 1.97 0.16 0.00 -2.23 0.00 0.00 60.65 60.57 2k9z s ILE 43 Cb -0.15 -4.28 -0.23 0.00 -1.58 0.00 0.00 42.46 36.22 2k9z s ILE 43 CO -0.09 0.00 0.17 0.18 -1.23 0.00 0.00 174.94 173.97 2k9z n LEU 44 N 5.09 0.00 -3.85 2.97 4.77 -0.52 -2.08 117.00 123.38 2k9z n LEU 44 Ca 0.08 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 2k9z n LEU 44 Cb 0.49 0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.84 2k9z n LEU 44 CO 0.51 0.29 0.43 -1.83 -1.33 0.00 0.00 177.39 175.46 2k9z s GLU 45 N -2.68 1.73 0.03 3.23 -1.05 -1.21 -4.79 118.70 113.95 2k9z s GLU 45 Ca -0.08 -0.99 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 2k9z s GLU 45 Cb 0.07 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.35 2k9z s GLU 45 CO 0.72 -0.78 0.00 0.41 0.95 0.00 0.00 175.26 176.56 2k9z n GLY 46 N -0.44 -2.29 3.08 -3.83 0.00 -1.22 -3.62 105.19 96.87 2k9z n GLY 46 Ca -0.04 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.23 0.31 0.05 1.61 2.36 -0.60 -4.35 119.74 118.90 2k9z s LYS 47 Ca 0.00 0.02 0.00 0.00 -2.55 0.00 0.00 55.97 53.44 2k9z s LYS 47 Cb 0.00 0.14 -0.03 0.00 -1.05 0.00 0.00 37.83 36.89 2k9z s LYS 47 CO 0.00 -0.06 -0.05 0.08 1.55 0.00 0.00 175.35 176.88 2k9z s VAL 48 N -0.44 0.34 -0.10 4.02 1.01 -1.17 -0.71 120.40 123.35 2k9z s VAL 48 Ca -0.05 -1.50 0.02 0.00 0.00 0.00 0.00 61.98 60.45 2k9z s VAL 48 Cb -0.03 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.26 2k9z s VAL 48 CO 0.01 -0.75 -0.17 -1.61 0.00 0.00 0.00 175.10 172.58 2k9z s GLU 49 N -2.93 2.33 -0.28 2.72 2.02 0.01 -3.12 118.70 119.46 2k9z s GLU 49 Ca -0.00 -0.61 -0.03 0.00 0.02 0.00 0.00 54.97 54.35 2k9z s GLU 49 Cb 0.00 -1.91 0.03 0.00 0.10 0.00 0.00 34.13 32.35 2k9z s GLU 49 CO -0.05 -0.00 -0.01 0.08 0.02 0.00 0.00 175.26 175.30 2k9z s VAL 50 N 0.80 3.15 -0.36 2.63 1.01 -0.03 -1.00 120.40 126.59 2k9z s VAL 50 Ca -0.10 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 2k9z s VAL 50 Cb -0.16 -2.69 0.09 0.00 0.00 0.00 0.00 36.38 33.63 2k9z s VAL 50 CO 0.01 0.05 0.12 -0.89 0.00 0.00 0.00 175.10 174.39 2k9z s THR 51 N 1.33 3.03 0.91 3.92 2.01 -1.10 -1.03 115.64 124.71 2k9z s THR 51 Ca -0.01 -1.90 -0.14 0.00 0.31 0.00 0.00 61.69 59.95 2k9z s THR 51 Cb -0.18 -3.00 0.15 0.00 0.01 0.00 0.00 72.50 69.48 2k9z s THR 51 CO -0.02 -0.50 1.21 0.42 -0.69 0.00 0.00 174.62 175.04 2k9z s THR 52 N 1.14 1.97 0.27 -0.82 -4.23 -0.56 -1.12 115.64 112.28 2k9z s THR 52 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2k9z s THR 52 Cb -0.21 -2.91 0.27 0.00 1.34 0.00 0.00 72.50 70.99 2k9z s THR 52 CO -0.04 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 175.79 2k9z h GLU 53 N -1.46 0.92 0.00 3.99 4.81 -1.87 -1.82 114.58 119.14 2k9z h GLU 53 Ca -0.46 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2k9z h GLU 53 Cb 1.30 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2k9z h GLU 53 CO 0.54 0.61 0.00 -0.44 -0.73 0.00 0.00 179.01 178.98 2k9z h ASP 54 N 0.94 0.00 0.00 1.04 3.32 -1.94 -3.45 116.42 116.33 2k9z h ASP 54 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 2k9z h ASP 54 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2k9z h ASP 54 CO -0.27 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.86 2k9z n GLY 55 N -0.58 0.95 3.65 2.75 0.00 -0.69 -5.01 105.19 106.26 2k9z n GLY 55 Ca -0.00 0.00 -0.42 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 -0.03 4.00 -0.04 1.61 -0.14 -1.26 -4.81 119.74 119.06 2k9z s LYS 56 Ca 0.00 2.33 0.03 0.00 -1.36 0.00 0.00 55.97 56.97 2k9z s LYS 56 Cb 0.00 -4.12 0.01 0.00 -1.68 0.00 0.00 37.83 32.03 2k9z s LYS 56 CO 0.00 -1.09 -0.11 -1.59 -0.76 0.00 0.00 175.35 171.80 2k9z s LYS 57 N 4.58 1.35 -0.16 1.68 -2.85 -1.26 -1.50 119.74 121.58 2k9z s LYS 57 Ca 0.84 -0.38 -0.00 0.00 -1.00 0.00 0.00 55.97 55.43 2k9z s LYS 57 Cb -0.37 -1.19 0.04 0.00 -2.06 0.00 0.00 37.83 34.25 2k9z s LYS 57 CO 0.36 0.09 -0.08 0.71 0.10 0.00 0.00 175.35 176.53 2k9z s TYR 58 N 0.38 1.91 0.36 1.78 2.02 -0.20 -4.98 117.35 118.62 2k9z s TYR 58 Ca -0.08 -1.17 -0.25 0.00 -0.37 0.00 0.00 57.07 55.20 2k9z s TYR 58 Cb -0.12 -1.42 -0.09 0.00 -0.40 0.00 0.00 41.96 39.92 2k9z s TYR 58 CO 0.02 -0.64 1.02 0.08 -1.57 0.00 0.00 175.55 174.46 2k9z s VAL 59 N 1.57 3.86 0.01 0.71 1.01 -1.26 -0.85 120.40 125.45 2k9z s VAL 59 Ca 0.02 1.51 -0.01 0.00 0.00 0.00 0.00 61.98 63.49 2k9z s VAL 59 Cb -0.15 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2k9z s VAL 59 CO -0.08 0.08 0.01 0.27 0.00 0.00 0.00 175.10 175.38 2k9z s ILE 60 N -1.60 0.08 0.19 2.22 -4.36 -1.18 -5.00 121.20 111.55 2k9z s ILE 60 Ca 0.54 -0.64 0.04 0.00 -0.26 0.00 0.00 60.65 60.33 2k9z s ILE 60 Cb -0.22 -0.23 -0.02 0.00 1.25 0.00 0.00 42.46 43.25 2k9z s ILE 60 CO 0.28 -0.35 0.15 -1.84 0.24 0.00 0.00 174.94 173.41 2k9z n GLU 61 N 1.96 0.28 -0.58 0.37 -0.00 -1.26 -3.05 120.64 118.36 2k9z n GLU 61 Ca -0.21 -1.84 -0.22 0.00 -0.00 0.00 0.00 57.16 54.89 2k9z n GLU 61 Cb 0.56 1.45 -0.03 0.00 -0.00 0.00 0.00 31.44 33.42 2k9z n GLU 61 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2k9z n LYS 62 N -0.37 1.19 0.00 3.44 2.85 -1.26 -1.99 118.16 122.02 2k9z n LYS 62 Ca 0.03 -1.22 0.00 0.00 -1.05 0.00 0.00 58.31 56.08 2k9z n LYS 62 Cb 0.33 -2.42 0.00 0.00 -0.65 0.00 0.00 35.03 32.30 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 4.10 0.00 3.71 2.58 0.00 -0.88 -4.80 105.19 109.89 2k9z n GLY 63 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 6.92 0.12 1.61 1.01 -0.84 -4.44 116.67 121.05 2k9z s ASP 64 Ca 0.00 2.15 -0.18 0.00 0.71 0.00 0.00 52.55 55.22 2k9z s ASP 64 Cb 0.00 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.28 2k9z s ASP 64 CO 0.00 -0.61 0.60 -0.22 0.21 0.00 0.00 175.17 175.15 2k9z s LEU 65 N 1.47 4.45 -0.00 1.23 2.96 -0.05 -3.40 118.68 125.34 2k9z s LEU 65 Ca 0.62 1.25 0.07 0.00 -0.22 0.00 0.00 54.13 55.86 2k9z s LEU 65 Cb -0.32 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.22 2k9z s LEU 65 CO 0.28 0.19 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.58 2k9z s VAL 66 N -1.28 1.83 -0.31 1.68 1.01 -0.42 -2.54 120.40 120.37 2k9z s VAL 66 Ca 0.34 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2k9z s VAL 66 Cb -0.18 -1.53 0.10 0.00 0.00 0.00 0.00 36.38 34.76 2k9z s VAL 66 CO 0.20 0.46 0.06 -0.89 0.00 0.00 0.00 175.10 174.93 2k9z s THR 67 N -0.60 1.44 0.89 3.92 2.01 -0.32 -1.41 115.64 121.56 2k9z s THR 67 Ca 0.09 -1.70 -0.11 0.00 0.31 0.00 0.00 61.69 60.28 2k9z s THR 67 Cb -0.09 -2.03 0.13 0.00 0.01 0.00 0.00 72.50 70.52 2k9z s THR 67 CO -0.00 -0.58 1.11 -0.36 -0.69 0.00 0.00 174.62 174.09 2k9z s PHE 68 N 1.34 2.01 0.00 4.92 0.08 -0.63 -0.69 117.98 125.01 2k9z s PHE 68 Ca 0.08 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.70 2k9z s PHE 68 Cb -0.18 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.08 2k9z s PHE 68 CO -0.17 -2.53 0.00 -0.35 -0.10 0.00 0.00 175.22 172.07 2k9z n PRO 69 N -4.03 0.25 -3.76 0.24 -0.04 -1.19 -4.37 135.00 122.11 2k9z n PRO 69 Ca 0.09 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.18 2k9z n PRO 69 Cb 0.53 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.87 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 -1.21 2.56 0.00 0.54 2.20 -1.26 -3.60 119.74 118.97 2k9z s LYS 70 Ca 0.00 -1.26 0.00 0.00 -0.36 0.00 0.00 55.97 54.35 2k9z s LYS 70 Cb 0.00 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2k9z s LYS 70 CO 0.00 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 2k9z n GLY 71 N 4.78 0.27 2.90 5.54 0.00 -0.89 -4.90 105.19 112.91 2k9z n GLY 71 Ca -0.12 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.33 0.05 0.99 0.20 -0.19 -5.00 118.68 114.41 2k9z s LEU 72 Ca 0.00 0.22 -0.28 0.00 0.69 0.00 0.00 54.13 54.76 2k9z s LEU 72 Cb 0.00 0.72 -0.05 0.00 -0.43 0.00 0.00 46.19 46.43 2k9z s LEU 72 CO 0.00 -0.29 0.88 -0.60 -0.29 0.00 0.00 176.35 176.06 2k9z s ARG 73 N 2.43 4.59 0.02 1.98 3.52 -1.26 -0.44 118.95 129.79 2k9z s ARG 73 Ca 0.06 1.28 -0.00 0.00 -0.13 0.00 0.00 55.73 56.94 2k9z s ARG 73 Cb -0.14 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 2k9z s ARG 73 CO -0.12 0.16 0.03 0.00 -0.81 0.00 0.00 175.30 174.57 2k9z s ARG 75 N -2.06 2.61 -0.07 0.00 1.70 -0.28 -1.75 118.95 119.10 2k9z s ARG 75 Ca 0.02 -1.37 -0.00 0.00 -0.47 0.00 0.00 55.73 53.91 2k9z s ARG 75 Cb -0.00 -2.38 0.03 0.00 -0.57 0.00 0.00 34.95 32.03 2k9z s ARG 75 CO 0.02 0.12 -0.03 -1.58 -1.08 0.00 0.00 175.30 172.75 2k9z s TRP 76 N -2.34 0.84 -0.32 5.89 0.52 0.15 -2.73 118.94 120.96 2k9z s TRP 76 Ca 0.39 -0.28 -0.00 0.00 0.02 0.00 0.00 56.10 56.23 2k9z s TRP 76 Cb -0.05 -0.84 0.07 0.00 -1.15 0.00 0.00 33.47 31.51 2k9z s TRP 76 CO 0.25 -0.32 0.04 0.21 0.02 0.00 0.00 176.95 177.15 2k9z s LYS 77 N 1.61 2.13 0.06 4.98 2.20 -0.17 -0.52 119.74 130.03 2k9z s LYS 77 Ca 0.00 -1.51 -0.31 0.00 -0.36 0.00 0.00 55.97 53.79 2k9z s LYS 77 Cb -0.13 -3.23 -0.06 0.00 -1.51 0.00 0.00 37.83 32.90 2k9z s LYS 77 CO -0.04 -0.77 1.25 0.08 -0.36 0.00 0.00 175.35 175.51 2k9z s VAL 78 N 1.14 3.87 -0.19 4.02 1.01 -0.73 -0.80 120.40 128.71 2k9z s VAL 78 Ca 0.00 1.33 0.11 0.00 0.00 0.00 0.00 61.98 63.42 2k9z s VAL 78 Cb -0.20 -3.85 -0.15 0.00 0.00 0.00 0.00 36.38 32.17 2k9z s VAL 78 CO -0.04 0.09 0.32 0.18 0.00 0.00 0.00 175.10 175.66 2k9z n LEU 79 N 4.07 0.18 -3.68 3.92 4.77 0.11 -4.33 117.00 122.04 2k9z n LEU 79 Ca 0.10 -0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 55.75 2k9z n LEU 79 Cb 0.45 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 2k9z n LEU 79 CO 0.56 0.05 0.20 -1.61 -1.33 0.00 0.00 177.39 175.26 2k9z s GLU 80 N -2.49 0.72 0.09 3.23 0.41 -0.77 -4.86 118.70 115.02 2k9z s GLU 80 Ca -0.01 0.35 -0.33 0.00 -0.41 0.00 0.00 54.97 54.57 2k9z s GLU 80 Cb 0.07 0.34 -0.12 0.00 -1.78 0.00 0.00 34.13 32.64 2k9z s GLU 80 CO 0.45 -0.16 1.75 -0.35 -0.49 0.00 0.00 175.26 176.46 2k9z n PRO 81 N 1.94 2.40 -3.93 0.39 -0.04 -1.26 -1.55 135.00 132.94 2k9z n PRO 81 Ca -0.17 0.87 -0.30 0.00 -0.04 0.00 0.00 63.50 63.86 2k9z n PRO 81 Cb 0.56 -2.71 -0.14 0.00 -0.04 0.00 0.00 33.50 31.18 2k9z n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k9z s VAL 82 N 2.34 2.33 -0.23 0.52 0.11 -1.26 -3.38 120.40 120.84 2k9z s VAL 82 Ca 0.83 -2.94 -0.29 0.00 -2.93 0.00 0.00 61.98 56.65 2k9z s VAL 82 Cb -0.61 -2.65 0.01 0.00 -1.53 0.00 0.00 36.38 31.60 2k9z s VAL 82 CO 0.41 -0.76 1.09 -0.13 -3.33 0.00 0.00 175.10 172.39 2k9z s ARG 83 N 0.13 4.23 0.15 1.54 0.52 -1.24 -4.55 118.95 119.73 2k9z s ARG 83 Ca 0.15 1.39 0.06 0.00 -0.52 0.00 0.00 55.73 56.82 2k9z s ARG 83 Cb -0.24 -3.68 -0.04 0.00 0.52 0.00 0.00 34.95 31.51 2k9z s ARG 83 CO -0.03 -0.68 -0.14 -1.59 0.02 0.00 0.00 175.30 172.88 2k9z s LYS 84 N 3.32 1.13 -0.08 3.54 0.00 -1.12 -1.43 119.74 125.10 2k9z s LYS 84 Ca 0.47 -1.39 -0.14 0.00 0.00 0.00 0.00 55.97 54.91 2k9z s LYS 84 Cb -0.16 -0.93 -0.05 0.00 0.00 0.00 0.00 37.83 36.69 2k9z s LYS 84 CO 0.09 0.16 0.35 -1.01 0.00 0.00 0.00 175.35 174.94 2k9z s HIS 85 N -2.59 3.61 0.17 1.78 3.76 -0.74 -2.01 115.29 119.27 2k9z s HIS 85 Ca 0.15 0.81 0.05 0.00 -0.15 0.00 0.00 55.06 55.91 2k9z s HIS 85 Cb -0.02 -2.29 -0.05 0.00 1.11 0.00 0.00 32.58 31.33 2k9z s HIS 85 CO 0.04 0.48 -0.10 1.52 -0.85 0.00 0.00 174.74 175.82 2k9z s TYR 86 N -0.41 1.41 -0.29 1.40 1.13 -0.95 -0.81 117.35 118.84 2k9z s TYR 86 Ca 0.21 -0.72 0.02 0.00 -1.41 0.00 0.00 57.07 55.17 2k9z s TYR 86 Cb -0.15 -0.71 0.18 0.00 -1.10 0.00 0.00 41.96 40.18 2k9z s TYR 86 CO 0.09 0.15 0.51 1.21 -2.51 0.00 0.00 175.55 175.00 2k9z s ASN 87 N -3.22 -0.75 0.39 -0.18 3.84 0.48 -3.86 114.94 111.64 2k9z s ASN 87 Ca 0.19 0.17 -0.24 0.00 0.21 0.00 0.00 52.86 53.19 2k9z s ASN 87 Cb 0.02 1.67 -0.09 0.00 -0.55 0.00 0.00 41.25 42.30 2k9z s ASN 87 CO 0.03 -0.31 1.05 -0.76 -2.79 0.00 0.00 177.10 174.32 2k9z s LEU 88 N 2.71 4.18 0.00 3.21 1.43 -1.26 -0.75 118.68 128.20 2k9z s LEU 88 Ca 0.13 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 2k9z s LEU 88 Cb -0.12 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 41.96 2k9z s LEU 88 CO -0.25 -0.44 0.00 2.22 0.23 0.00 0.00 176.35 178.11