#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 1.72 -0.48 0.03 -1.05 -1.26 -4.98 118.70 112.68 2k9z s GLU 2 Ca 0.00 -1.46 -0.18 0.00 -0.15 0.00 0.00 54.97 53.18 2k9z s GLU 2 Cb 0.00 0.47 0.05 0.00 -0.44 0.00 0.00 34.13 34.21 2k9z s GLU 2 CO 0.00 -0.72 0.54 0.08 0.95 0.00 0.00 175.26 176.12 2k9z s VAL 3 N -3.54 4.98 0.09 1.83 1.01 -1.26 -3.41 120.40 120.09 2k9z s VAL 3 Ca 0.25 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 2k9z s VAL 3 Cb -0.01 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 2k9z s VAL 3 CO 0.13 -0.66 0.87 -0.75 0.00 0.00 0.00 175.10 174.69 2k9z s LYS 4 N 2.37 4.61 -0.05 2.72 2.47 -0.49 -4.99 119.74 126.38 2k9z s LYS 4 Ca 0.13 1.28 -0.02 0.00 -1.56 0.00 0.00 55.97 55.79 2k9z s LYS 4 Cb -0.19 -3.36 0.03 0.00 -1.46 0.00 0.00 37.83 32.85 2k9z s LYS 4 CO 0.12 0.26 0.08 0.42 0.16 0.00 0.00 175.35 176.40 2k9z s ILE 5 N -0.10 -0.14 0.29 5.43 1.01 -1.26 -2.13 121.20 124.30 2k9z s ILE 5 Ca 0.43 0.41 0.04 0.00 0.00 0.00 0.00 60.65 61.52 2k9z s ILE 5 Cb -0.22 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 2k9z s ILE 5 CO 0.27 0.17 0.20 -1.61 0.00 0.00 0.00 174.94 173.97 2k9z s GLU 6 N 2.18 1.56 -0.76 2.79 2.02 -1.08 -5.00 118.70 120.40 2k9z s GLU 6 Ca 0.04 -1.88 -0.02 0.00 0.02 0.00 0.00 54.97 53.13 2k9z s GLU 6 Cb -0.12 0.16 0.19 0.00 0.10 0.00 0.00 34.13 34.46 2k9z s GLU 6 CO -0.04 -0.51 0.61 0.15 0.02 0.00 0.00 175.26 175.49 2k9z s LYS 7 N -3.77 2.92 0.97 1.61 3.01 -1.26 -0.96 119.74 122.26 2k9z s LYS 7 Ca 0.38 -2.90 -0.12 0.00 -1.01 0.00 0.00 55.97 52.32 2k9z s LYS 7 Cb 0.04 -3.84 0.17 0.00 -1.01 0.00 0.00 37.83 33.19 2k9z s LYS 7 CO 0.20 -1.22 1.09 -1.25 0.51 0.00 0.00 175.35 174.67 2k9z s PRO 8 N -0.70 0.63 0.39 -1.68 0.04 -1.26 -5.02 135.00 127.39 2k9z s PRO 8 Ca 0.22 0.96 -0.25 0.00 0.04 0.00 0.00 61.00 61.97 2k9z s PRO 8 Cb -0.13 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.59 2k9z s PRO 8 CO -0.08 -2.71 1.10 -0.08 0.04 0.00 0.00 177.00 175.27 2k9z s THR 9 N -2.76 3.46 0.34 1.26 -1.32 -1.26 -4.96 115.64 110.41 2k9z s THR 9 Ca 0.65 1.19 0.11 0.00 -1.21 0.00 0.00 61.69 62.43 2k9z s THR 9 Cb -0.21 -3.65 0.07 0.00 -1.51 0.00 0.00 72.50 67.20 2k9z s THR 9 CO 0.59 0.07 1.78 1.55 -2.21 0.00 0.00 174.62 176.40 2k9z h PRO 10 N 2.66 0.08 -0.66 7.08 0.13 -2.00 -3.01 132.00 136.27 2k9z h PRO 10 Ca -0.48 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 64.67 2k9z h PRO 10 Cb 1.22 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 2k9z h PRO 10 CO 0.63 0.46 0.37 0.93 -0.23 0.00 0.00 178.00 180.16 2k9z h GLU 11 N 0.06 0.67 -0.50 0.86 5.08 -2.00 -1.24 114.58 117.51 2k9z h GLU 11 Ca 0.00 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2k9z h GLU 11 Cb 0.73 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2k9z h GLU 11 CO 0.05 0.44 0.05 -0.22 -1.00 0.00 0.00 179.01 178.33 2k9z h LYS 12 N 0.69 0.80 0.00 2.33 1.63 -1.94 -2.39 116.57 117.68 2k9z h LYS 12 Ca 0.30 -0.19 -0.08 0.00 -0.85 0.00 0.00 60.65 59.82 2k9z h LYS 12 Cb 0.18 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2k9z h LYS 12 CO -0.18 0.77 -0.39 -0.07 -3.45 0.00 0.00 179.45 176.14 2k9z h LEU 13 N 0.75 0.00 -0.16 5.20 3.38 -1.26 -1.76 115.31 121.47 2k9z h LEU 13 Ca 0.15 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2k9z h LEU 13 Cb 0.39 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2k9z h LEU 13 CO 0.01 0.39 -0.09 0.11 0.09 0.00 0.00 178.44 178.95 2k9z h LYS 14 N 0.00 -0.08 0.28 1.13 1.57 -0.75 -2.75 116.57 115.96 2k9z h LYS 14 Ca -0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2k9z h LYS 14 Cb 0.75 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2k9z h LYS 14 CO 0.05 -0.06 -0.13 0.93 -0.57 0.00 0.00 179.45 179.67 2k9z h GLU 15 N -0.09 -0.36 -0.03 3.15 4.39 -1.29 -2.42 114.58 117.94 2k9z h GLU 15 Ca 0.09 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.82 2k9z h GLU 15 Cb 0.22 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2k9z h GLU 15 CO -0.21 -0.22 0.19 -0.07 -1.16 0.00 0.00 179.01 177.53 2k9z h LEU 16 N -0.39 0.00 -1.19 1.33 3.38 -1.31 -3.46 115.31 113.67 2k9z h LEU 16 Ca -0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2k9z h LEU 16 Cb 0.30 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.09 2k9z h LEU 16 CO 0.06 0.00 -0.20 -0.24 0.09 0.00 0.00 178.44 178.15 2k9z n SER 17 N -3.09 -2.94 -0.12 -0.43 2.88 -0.91 -4.95 113.62 104.06 2k9z n SER 17 Ca -0.02 -0.16 0.17 0.00 -1.33 0.00 0.00 58.87 57.53 2k9z n SER 17 Cb 0.25 -1.80 0.56 0.00 -0.75 0.00 0.00 64.21 62.47 2k9z n SER 17 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2k9z h VAL 18 N -0.72 0.77 -0.08 2.46 2.07 -1.80 0.33 116.25 119.29 2k9z h VAL 18 Ca -0.16 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2k9z h VAL 18 Cb 1.10 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2k9z h VAL 18 CO 0.16 0.06 0.11 1.05 0.02 0.00 0.00 177.57 178.96 2k9z h GLU 19 N 0.30 0.00 -0.00 1.57 4.11 -1.92 -2.36 114.58 116.28 2k9z h GLU 19 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 2k9z h GLU 19 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2k9z h GLU 19 CO -0.09 0.00 -0.11 0.36 0.07 0.00 0.00 179.01 179.25 2k9z n LYS 20 N -3.72 0.54 -2.49 1.06 2.85 0.10 -4.88 118.16 111.62 2k9z n LYS 20 Ca -0.01 -0.16 -0.26 0.00 -1.05 0.00 0.00 58.31 56.84 2k9z n LYS 20 Cb 0.20 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.12 2k9z n LYS 20 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2k9z s TRP 21 N -2.57 3.23 0.24 5.58 0.52 -0.89 -5.04 118.94 120.01 2k9z s TRP 21 Ca 0.26 0.55 -0.30 0.00 0.02 0.00 0.00 56.10 56.64 2k9z s TRP 21 Cb 0.20 -2.69 -0.10 0.00 -1.15 0.00 0.00 33.47 29.74 2k9z s TRP 21 CO 0.49 -0.77 1.39 -1.25 0.02 0.00 0.00 176.95 176.83 2k9z s PRO 22 N -4.92 4.32 0.31 4.98 0.04 -1.25 -4.91 135.00 133.56 2k9z s PRO 22 Ca 0.53 2.21 -0.27 0.00 0.04 0.00 0.00 61.00 63.51 2k9z s PRO 22 Cb -0.10 -3.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.20 2k9z s PRO 22 CO 0.44 -0.34 0.97 0.42 0.04 0.00 0.00 177.00 178.52 2k9z s ILE 23 N -0.05 4.05 0.12 0.56 1.01 -1.26 -2.20 121.20 123.44 2k9z s ILE 23 Ca 0.58 1.80 0.07 0.00 0.00 0.00 0.00 60.65 63.10 2k9z s ILE 23 Cb -0.40 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 2k9z s ILE 23 CO 0.42 0.23 -0.17 0.86 0.00 0.00 0.00 174.94 176.28 2k9z s TRP 24 N -1.47 1.59 0.15 3.97 -0.00 -0.72 -4.96 118.94 117.50 2k9z s TRP 24 Ca 0.48 -0.49 -0.13 0.00 -0.00 0.00 0.00 56.10 55.97 2k9z s TRP 24 Cb -0.22 -0.84 0.01 0.00 -0.00 0.00 0.00 33.47 32.42 2k9z s TRP 24 CO 0.28 0.20 0.34 -1.83 -0.00 0.00 0.00 176.95 175.95 2k9z s GLU 25 N -2.41 1.12 0.08 5.86 -1.05 -1.26 -2.93 118.70 118.10 2k9z s GLU 25 Ca 0.09 -0.94 -0.11 0.00 -0.15 0.00 0.00 54.97 53.85 2k9z s GLU 25 Cb -0.07 0.42 0.01 0.00 -0.44 0.00 0.00 34.13 34.06 2k9z s GLU 25 CO 0.04 -0.42 0.25 0.15 0.95 0.00 0.00 175.26 176.23 2k9z s LYS 26 N -3.88 0.85 1.04 -4.83 -0.14 -1.26 -5.01 119.74 106.51 2k9z s LYS 26 Ca 0.09 -0.75 -0.13 0.00 -1.36 0.00 0.00 55.97 53.82 2k9z s LYS 26 Cb 0.02 0.36 0.21 0.00 -1.68 0.00 0.00 37.83 36.74 2k9z s LYS 26 CO -0.06 -0.28 1.09 -1.83 -0.76 0.00 0.00 175.35 173.51 2k9z s GLU 27 N -3.33 0.07 -1.36 1.68 1.03 -1.26 -4.07 118.70 111.47 2k9z s GLU 27 Ca 0.01 0.43 -0.14 0.00 0.03 0.00 0.00 54.97 55.29 2k9z s GLU 27 Cb 0.02 -1.70 0.08 0.00 -0.80 0.00 0.00 34.13 31.73 2k9z s GLU 27 CO -0.08 -2.95 1.94 0.28 -1.33 0.00 0.00 175.26 173.11 2k9z n VAL 28 N -4.31 3.83 -3.85 1.83 0.31 -1.26 -4.78 118.33 110.09 2k9z n VAL 28 Ca 0.06 -3.75 -0.05 0.00 -0.01 0.00 0.00 64.34 60.58 2k9z n VAL 28 Cb 0.58 -2.47 -0.02 0.00 -0.91 0.00 0.00 33.84 31.02 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 6.42 -0.37 -3.75 4.52 2.88 -1.25 -5.01 113.62 117.07 2k9z n SER 29 Ca 0.48 -1.65 -0.13 0.00 -1.33 0.00 0.00 58.87 56.24 2k9z n SER 29 Cb 0.41 0.72 -0.09 0.00 -0.75 0.00 0.00 64.21 64.51 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 -2.32 0.67 0.00 -1.46 -1.05 -1.26 -2.06 118.70 111.22 2k9z s GLU 30 Ca 0.11 -0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 2k9z s GLU 30 Cb 0.00 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 2k9z s GLU 30 CO 0.08 -0.18 0.00 1.97 0.95 0.00 0.00 175.26 178.08 2k9z n PHE 31 N 1.37 -0.72 -4.48 4.83 1.16 -0.34 -5.02 117.46 114.25 2k9z n PHE 31 Ca -0.21 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.13 2k9z n PHE 31 Cb 0.56 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.33 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 -0.50 3.62 0.29 5.98 1.47 -1.26 -1.11 116.67 125.17 2k9z s ASP 32 Ca 0.00 -1.05 0.04 0.00 1.18 0.00 0.00 52.55 52.72 2k9z s ASP 32 Cb 0.00 -0.31 -0.06 0.00 -0.34 0.00 0.00 42.92 42.21 2k9z s ASP 32 CO 0.00 0.01 0.03 0.86 0.68 0.00 0.00 175.17 176.75 2k9z s TRP 33 N -2.52 1.85 -0.34 2.11 -0.11 0.05 -4.79 118.94 115.19 2k9z s TRP 33 Ca 0.30 -0.92 0.00 0.00 1.22 0.00 0.00 56.10 56.70 2k9z s TRP 33 Cb -0.04 -1.15 0.14 0.00 -1.50 0.00 0.00 33.47 30.92 2k9z s TRP 33 CO 0.15 0.02 0.24 -0.47 -4.62 0.00 0.00 176.95 172.28 2k9z s TYR 34 N -3.30 0.33 -0.15 5.86 6.14 -1.26 -2.17 117.35 122.80 2k9z s TYR 34 Ca 0.34 -1.22 -0.29 0.00 0.64 0.00 0.00 57.07 56.53 2k9z s TYR 34 Cb 0.07 -0.76 -0.03 0.00 0.42 0.00 0.00 41.96 41.67 2k9z s TYR 34 CO 0.13 -0.87 1.42 0.71 0.64 0.00 0.00 175.55 177.59 2k9z s TYR 35 N 1.41 2.49 -0.82 4.97 2.02 -0.89 -4.87 117.35 121.65 2k9z s TYR 35 Ca 0.16 0.70 0.09 0.00 -0.37 0.00 0.00 57.07 57.65 2k9z s TYR 35 Cb -0.20 -3.72 -0.01 0.00 -0.40 0.00 0.00 41.96 37.64 2k9z s TYR 35 CO -0.08 -2.48 0.59 -0.40 -1.57 0.00 0.00 175.55 171.60 2k9z n ASP 36 N 7.08 1.10 -3.92 2.29 5.75 -1.26 -1.18 116.55 126.41 2k9z n ASP 36 Ca 0.16 -1.05 -0.13 0.00 -0.01 0.00 0.00 54.79 53.75 2k9z n ASP 36 Cb 0.44 0.51 -0.08 0.00 -1.03 0.00 0.00 41.12 40.96 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 -1.34 0.00 -0.31 2.12 -4.23 -1.26 -4.44 115.64 106.18 2k9z s THR 37 Ca 0.07 -1.87 -0.28 0.00 -1.18 0.00 0.00 61.69 58.43 2k9z s THR 37 Cb 0.07 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.40 2k9z s THR 37 CO 0.24 0.00 2.16 0.20 -0.54 0.00 0.00 174.62 176.68 2k9z s ASN 38 N -3.19 5.33 -0.66 3.99 0.01 -1.26 -4.50 114.94 114.67 2k9z s ASN 38 Ca 0.36 1.54 0.06 0.00 -0.71 0.00 0.00 52.86 54.11 2k9z s ASN 38 Cb 0.04 -2.51 0.21 0.00 0.41 0.00 0.00 41.25 39.40 2k9z s ASN 38 CO 0.15 -2.11 0.61 1.21 -1.51 0.00 0.00 177.10 175.45 2k9z n GLU 39 N 8.77 2.07 -2.12 -0.60 2.13 -1.26 -1.37 120.64 128.27 2k9z n GLU 39 Ca 0.29 -4.50 -0.41 0.00 0.66 0.00 0.00 57.16 53.20 2k9z n GLU 39 Cb 0.48 -2.22 -0.03 0.00 0.27 0.00 0.00 31.44 29.94 2k9z n GLU 39 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2k9z s THR 40 N -1.89 2.90 0.04 6.31 2.01 -0.70 -4.50 115.64 119.82 2k9z s THR 40 Ca 0.32 0.78 -0.04 0.00 0.31 0.00 0.00 61.69 63.07 2k9z s THR 40 Cb 0.06 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 2k9z s THR 40 CO -0.10 0.13 0.05 0.00 -0.69 0.00 0.00 174.62 174.02 2k9z s TYR 42 N -2.90 1.05 -0.13 0.00 5.04 -0.55 -1.54 117.35 118.32 2k9z s TYR 42 Ca -0.02 -0.43 -0.28 0.00 -2.44 0.00 0.00 57.07 53.89 2k9z s TYR 42 Cb 0.01 -0.99 -0.01 0.00 0.35 0.00 0.00 41.96 41.32 2k9z s TYR 42 CO -0.06 -0.40 0.97 0.42 -1.34 0.00 0.00 175.55 175.14 2k9z s ILE 43 N 1.74 4.80 0.00 3.14 -1.09 -1.00 -2.73 121.20 126.07 2k9z s ILE 43 Ca 0.03 1.94 0.00 0.00 -2.23 0.00 0.00 60.65 60.40 2k9z s ILE 43 Cb -0.13 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 2k9z s ILE 43 CO -0.06 0.00 0.00 0.18 -1.23 0.00 0.00 174.94 173.83 2k9z n LEU 44 N 5.11 0.98 -3.69 2.97 4.77 -1.26 -2.18 117.00 123.69 2k9z n LEU 44 Ca 0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 2k9z n LEU 44 Cb 0.49 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 2k9z n LEU 44 CO 0.51 0.16 0.21 -1.83 -1.33 0.00 0.00 177.39 175.11 2k9z s GLU 45 N -1.88 1.22 0.00 3.23 -1.05 -1.26 -4.80 118.70 114.16 2k9z s GLU 45 Ca 0.00 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 2k9z s GLU 45 Cb 0.00 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 2k9z s GLU 45 CO 0.00 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.12 2k9z n GLY 46 N -0.28 -1.34 3.19 -3.83 0.00 -1.25 -2.22 105.19 99.46 2k9z n GLY 46 Ca -0.13 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.35 0.47 0.02 1.61 2.36 -0.50 -4.13 119.74 118.22 2k9z s LYS 47 Ca 0.00 0.12 -0.06 0.00 -2.55 0.00 0.00 55.97 53.48 2k9z s LYS 47 Cb 0.00 0.21 -0.01 0.00 -1.05 0.00 0.00 37.83 36.99 2k9z s LYS 47 CO 0.00 -0.10 0.10 0.08 1.55 0.00 0.00 175.35 176.98 2k9z s VAL 48 N -0.52 0.11 -0.17 4.02 1.01 -1.18 -0.57 120.40 123.11 2k9z s VAL 48 Ca -0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 2k9z s VAL 48 Cb -0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 2k9z s VAL 48 CO 0.02 -0.50 -0.03 -1.61 0.00 0.00 0.00 175.10 172.98 2k9z s GLU 49 N -1.94 3.63 -0.08 2.72 2.02 0.11 -2.96 118.70 122.19 2k9z s GLU 49 Ca -0.11 -0.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.34 2k9z s GLU 49 Cb -0.05 -2.95 -0.03 0.00 0.10 0.00 0.00 34.13 31.20 2k9z s GLU 49 CO -0.01 0.16 -0.01 0.08 0.02 0.00 0.00 175.26 175.49 2k9z s VAL 50 N 0.59 4.23 -0.25 2.63 1.01 -0.90 -0.72 120.40 126.99 2k9z s VAL 50 Ca -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 2k9z s VAL 50 Cb -0.14 -2.77 0.08 0.00 0.00 0.00 0.00 36.38 33.55 2k9z s VAL 50 CO 0.02 0.60 0.09 -0.89 0.00 0.00 0.00 175.10 174.93 2k9z s THR 51 N -0.88 0.33 1.01 3.92 2.01 -0.93 -0.24 115.64 120.86 2k9z s THR 51 Ca 0.13 -0.77 -0.12 0.00 0.31 0.00 0.00 61.69 61.23 2k9z s THR 51 Cb -0.11 -1.11 0.20 0.00 0.01 0.00 0.00 72.50 71.49 2k9z s THR 51 CO 0.02 -0.50 1.09 0.42 -0.69 0.00 0.00 174.62 174.96 2k9z s THR 52 N 1.92 2.01 0.36 -0.82 -4.23 -1.09 -0.29 115.64 113.51 2k9z s THR 52 Ca 0.05 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.70 2k9z s THR 52 Cb -0.17 -2.49 0.10 0.00 1.34 0.00 0.00 72.50 71.28 2k9z s THR 52 CO -0.22 -0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 175.60 2k9z h GLU 53 N -1.95 0.00 0.00 3.99 4.81 -1.91 -1.64 114.58 117.89 2k9z h GLU 53 Ca -0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2k9z h GLU 53 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2k9z h GLU 53 CO 0.58 0.37 0.00 -0.25 -0.73 0.00 0.00 179.01 178.98 2k9z n ASP 54 N -4.05 0.00 0.00 1.04 9.92 -1.26 -4.84 116.55 117.36 2k9z n ASP 54 Ca -0.02 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 2k9z n ASP 54 Cb 0.41 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 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 -0.76 1.39 3.67 0.44 0.00 -0.62 -5.02 105.19 104.31 2k9z n GLY 55 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 0.66 -3.93 1.61 5.02 -1.26 -4.86 118.16 113.39 2k9z n LYS 56 Ca 0.00 0.29 -0.21 0.00 -2.02 0.00 0.00 58.31 56.36 2k9z n LYS 56 Cb 0.00 -2.38 -0.03 0.00 -0.02 0.00 0.00 35.03 32.60 2k9z n LYS 56 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k9z s LYS 57 N -3.50 3.04 0.26 1.97 1.02 -1.26 -2.66 119.74 118.62 2k9z s LYS 57 Ca 0.77 -1.02 0.12 0.00 0.02 0.00 0.00 55.97 55.85 2k9z s LYS 57 Cb -0.35 -2.66 -0.05 0.00 -0.52 0.00 0.00 37.83 34.25 2k9z s LYS 57 CO 0.47 0.30 -0.18 0.71 -0.92 0.00 0.00 175.35 175.73 2k9z s TYR 58 N -2.13 2.35 -0.03 3.18 2.02 0.67 -4.97 117.35 118.43 2k9z s TYR 58 Ca 0.36 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 2k9z s TYR 58 Cb -0.08 -1.04 0.03 0.00 -0.40 0.00 0.00 41.96 40.46 2k9z s TYR 58 CO 0.27 0.67 0.00 0.08 -1.57 0.00 0.00 175.55 175.01 2k9z s VAL 59 N -2.36 0.20 0.01 0.71 1.01 -1.26 -2.11 120.40 116.60 2k9z s VAL 59 Ca 0.29 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2k9z s VAL 59 Cb -0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 2k9z s VAL 59 CO 0.15 0.16 -0.01 0.27 0.00 0.00 0.00 175.10 175.67 2k9z s ILE 60 N 1.16 0.07 0.26 2.22 -4.36 -1.16 -5.05 121.20 114.34 2k9z s ILE 60 Ca -0.08 -0.29 0.03 0.00 -0.26 0.00 0.00 60.65 60.05 2k9z s ILE 60 Cb -0.13 -0.12 -0.01 0.00 1.25 0.00 0.00 42.46 43.45 2k9z s ILE 60 CO -0.02 -0.14 0.11 -1.84 0.24 0.00 0.00 174.94 173.29 2k9z n GLU 61 N 2.63 0.65 -0.87 0.37 -0.00 -1.26 -3.07 120.64 119.09 2k9z n GLU 61 Ca -0.16 -2.24 -0.18 0.00 -0.00 0.00 0.00 57.16 54.58 2k9z n GLU 61 Cb 0.58 1.29 -0.08 0.00 -0.00 0.00 0.00 31.44 33.23 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 -0.58 2.11 0.00 3.44 2.85 -1.26 -2.32 118.16 122.40 2k9z n LYS 62 Ca -0.03 -1.23 0.00 0.00 -1.05 0.00 0.00 58.31 56.01 2k9z n LYS 62 Cb 0.40 -2.21 0.00 0.00 -0.65 0.00 0.00 35.03 32.57 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 3.10 0.12 3.76 2.58 0.00 -0.93 -4.61 105.19 109.21 2k9z n GLY 63 Ca 0.45 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.08 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 7.59 0.16 1.61 1.11 -0.98 -4.65 116.67 121.51 2k9z s ASP 64 Ca 0.00 1.93 0.00 0.00 0.18 0.00 0.00 52.55 54.66 2k9z s ASP 64 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 2k9z s ASP 64 CO 0.00 0.11 0.34 -0.22 1.18 0.00 0.00 175.17 176.58 2k9z s LEU 65 N -1.35 4.28 -0.01 1.23 0.20 -0.14 -2.37 118.68 120.53 2k9z s LEU 65 Ca 0.43 0.33 0.01 0.00 0.69 0.00 0.00 54.13 55.59 2k9z s LEU 65 Cb -0.25 -3.07 0.00 0.00 -0.43 0.00 0.00 46.19 42.44 2k9z s LEU 65 CO 0.31 0.02 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.66 2k9z s VAL 66 N -1.77 0.29 -0.20 1.68 1.01 -0.59 -2.64 120.40 118.17 2k9z s VAL 66 Ca 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 2k9z s VAL 66 Cb -0.11 -0.28 0.06 0.00 0.00 0.00 0.00 36.38 36.05 2k9z s VAL 66 CO 0.28 0.10 -0.00 -0.89 0.00 0.00 0.00 175.10 174.60 2k9z s THR 67 N 0.17 0.91 0.78 3.92 2.01 -0.90 -1.64 115.64 120.88 2k9z s THR 67 Ca -0.01 -0.78 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 2k9z s THR 67 Cb -0.04 -1.31 0.06 0.00 0.01 0.00 0.00 72.50 71.22 2k9z s THR 67 CO -0.00 -0.15 1.09 -0.36 -0.69 0.00 0.00 174.62 174.51 2k9z s PHE 68 N 1.68 2.80 0.88 4.92 0.08 -1.26 -1.40 117.98 125.67 2k9z s PHE 68 Ca -0.02 1.29 -0.11 0.00 0.12 0.00 0.00 56.93 58.20 2k9z s PHE 68 Cb -0.18 -3.05 0.17 0.00 -0.57 0.00 0.00 43.02 39.39 2k9z s PHE 68 CO -0.07 -1.72 1.21 -1.25 -0.10 0.00 0.00 175.22 173.29 2k9z s PRO 69 N -5.06 1.07 -1.17 0.24 0.04 -1.22 -4.55 135.00 124.35 2k9z s PRO 69 Ca 0.60 -0.56 -0.17 0.00 0.04 0.00 0.00 61.00 60.91 2k9z s PRO 69 Cb -0.15 -2.00 0.12 0.00 0.04 0.00 0.00 34.50 32.51 2k9z s PRO 69 CO 0.55 -2.05 1.49 0.21 0.04 0.00 0.00 177.00 177.23 2k9z s LYS 70 N -5.64 3.93 0.00 4.56 2.20 -1.26 -4.32 119.74 119.21 2k9z s LYS 70 Ca 0.71 -2.12 0.00 0.00 -0.36 0.00 0.00 55.97 54.20 2k9z s LYS 70 Cb -0.05 -5.22 0.00 0.00 -1.51 0.00 0.00 37.83 31.05 2k9z s LYS 70 CO 0.50 -1.97 0.00 0.41 -0.36 0.00 0.00 175.35 173.93 2k9z n GLY 71 N 5.03 1.25 2.83 5.54 0.00 -0.66 -4.85 105.19 114.33 2k9z n GLY 71 Ca 0.38 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.43 0.01 0.99 2.96 -0.32 -4.99 118.68 116.89 2k9z s LEU 72 Ca 0.00 -0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 53.22 2k9z s LEU 72 Cb 0.00 0.76 -0.05 0.00 0.50 0.00 0.00 46.19 47.40 2k9z s LEU 72 CO 0.00 -0.35 1.29 -0.60 -1.32 0.00 0.00 176.35 175.36 2k9z s ARG 73 N 2.44 4.35 0.27 1.98 3.52 -1.26 -2.10 118.95 128.14 2k9z s ARG 73 Ca 0.10 1.84 -0.15 0.00 -0.13 0.00 0.00 55.73 57.39 2k9z s ARG 73 Cb -0.14 -3.48 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 2k9z s ARG 73 CO -0.26 -0.44 0.55 0.00 -0.81 0.00 0.00 175.30 174.34 2k9z s ARG 75 N -3.89 3.66 -0.09 0.00 3.00 0.61 -0.77 118.95 121.47 2k9z s ARG 75 Ca 0.19 0.81 -0.03 0.00 0.00 0.00 0.00 55.73 56.70 2k9z s ARG 75 Cb -0.02 -2.09 0.04 0.00 0.00 0.00 0.00 34.95 32.88 2k9z s ARG 75 CO 0.09 -0.52 0.06 -1.58 0.00 0.00 0.00 175.30 173.36 2k9z s TRP 76 N -3.04 0.19 -0.31 -0.53 0.52 -0.27 -2.19 118.94 113.31 2k9z s TRP 76 Ca 0.56 -0.01 0.03 0.00 0.02 0.00 0.00 56.10 56.70 2k9z s TRP 76 Cb -0.11 -0.60 0.09 0.00 -1.15 0.00 0.00 33.47 31.70 2k9z s TRP 76 CO 0.49 -0.32 0.02 0.21 0.02 0.00 0.00 176.95 177.37 2k9z s LYS 77 N 2.13 1.51 -0.60 4.98 2.47 0.10 -1.20 119.74 129.13 2k9z s LYS 77 Ca 0.04 -1.62 -0.28 0.00 -1.56 0.00 0.00 55.97 52.55 2k9z s LYS 77 Cb -0.14 -2.95 0.03 0.00 -1.46 0.00 0.00 37.83 33.31 2k9z s LYS 77 CO -0.05 -0.86 1.20 0.08 0.16 0.00 0.00 175.35 175.87 2k9z s VAL 78 N 1.06 3.99 -0.04 4.02 1.01 -0.87 -0.71 120.40 128.86 2k9z s VAL 78 Ca 0.06 0.81 0.12 0.00 0.00 0.00 0.00 61.98 62.97 2k9z s VAL 78 Cb -0.19 -4.75 -0.09 0.00 0.00 0.00 0.00 36.38 31.35 2k9z s VAL 78 CO -0.10 -1.41 1.25 -0.07 0.00 0.00 0.00 175.10 174.77 2k9z h LEU 79 N 12.05 0.00 -7.47 3.92 3.38 -1.13 -3.31 115.31 122.75 2k9z h LEU 79 Ca -0.25 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 2k9z h LEU 79 Cb 1.06 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.63 2k9z h LEU 79 CO 1.20 0.75 -0.19 -1.61 0.09 0.00 0.00 178.44 178.67 2k9z s GLU 80 N -2.83 0.82 -0.38 1.13 2.02 -0.64 -4.90 118.70 113.93 2k9z s GLU 80 Ca 0.01 -0.37 -0.28 0.00 0.02 0.00 0.00 54.97 54.36 2k9z s GLU 80 Cb 0.09 0.36 -0.04 0.00 0.10 0.00 0.00 34.13 34.64 2k9z s GLU 80 CO 0.79 -0.26 2.02 -1.25 0.02 0.00 0.00 175.26 176.57 2k9z s PRO 81 N -2.22 2.94 -0.41 0.39 0.04 -1.26 -1.40 135.00 133.08 2k9z s PRO 81 Ca -0.07 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 62.20 2k9z s PRO 81 Cb -0.02 -4.34 0.02 0.00 0.04 0.00 0.00 34.50 30.20 2k9z s PRO 81 CO -0.01 -2.32 0.57 0.54 0.04 0.00 0.00 177.00 175.82 2k9z s VAL 82 N 8.56 4.92 -0.52 -0.36 0.11 -1.26 -3.78 120.40 128.07 2k9z s VAL 82 Ca 0.86 0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.98 2k9z s VAL 82 Cb -0.22 -4.11 0.28 0.00 -1.53 0.00 0.00 36.38 30.79 2k9z s VAL 82 CO 0.30 -0.47 2.17 -1.14 -3.33 0.00 0.00 175.10 172.63 2k9z n ARG 83 N 6.01 2.32 -1.74 1.54 0.63 -0.94 -4.13 116.66 120.34 2k9z n ARG 83 Ca -0.03 -2.52 -0.38 0.00 -0.92 0.00 0.00 57.85 54.00 2k9z n ARG 83 Cb 0.48 -2.01 0.05 0.00 0.45 0.00 0.00 32.46 31.42 2k9z n ARG 83 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2k9z n LYS 84 N -0.08 1.57 -2.71 -0.14 -0.00 -1.15 -4.60 118.16 111.06 2k9z n LYS 84 Ca 0.47 0.58 -0.33 0.00 -0.00 0.00 0.00 58.31 59.03 2k9z n LYS 84 Cb 0.56 -2.56 -0.06 0.00 -0.00 0.00 0.00 35.03 32.97 2k9z n LYS 84 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2k9z s HIS 85 N -1.31 3.19 0.04 5.58 3.76 -1.10 -1.75 115.29 123.69 2k9z s HIS 85 Ca 0.74 1.60 -0.01 0.00 -0.15 0.00 0.00 55.06 57.24 2k9z s HIS 85 Cb -0.41 -2.93 -0.03 0.00 1.11 0.00 0.00 32.58 30.31 2k9z s HIS 85 CO 0.48 -0.39 -0.03 1.52 -0.85 0.00 0.00 174.74 175.46 2k9z s TYR 86 N -2.11 0.45 -0.06 1.40 1.13 -0.93 -1.49 117.35 115.74 2k9z s TYR 86 Ca 0.64 -0.90 -0.03 0.00 -1.41 0.00 0.00 57.07 55.37 2k9z s TYR 86 Cb -0.12 -0.33 0.03 0.00 -1.10 0.00 0.00 41.96 40.44 2k9z s TYR 86 CO 0.16 -0.31 0.14 1.21 -2.51 0.00 0.00 175.55 174.23 2k9z s ASN 87 N -2.47 -0.11 -0.13 -0.18 2.47 0.05 -3.83 114.94 110.74 2k9z s ASN 87 Ca -0.00 0.28 -0.17 0.00 0.42 0.00 0.00 52.86 53.39 2k9z s ASN 87 Cb 0.02 0.19 -0.04 0.00 -1.45 0.00 0.00 41.25 39.97 2k9z s ASN 87 CO -0.07 -0.13 0.43 -0.76 -3.72 0.00 0.00 177.10 172.85 2k9z s LEU 88 N 0.96 4.26 0.00 3.21 1.43 -1.26 -1.71 118.68 125.57 2k9z s LEU 88 Ca -0.07 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 2k9z s LEU 88 Cb -0.10 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.52 2k9z s LEU 88 CO -0.05 0.02 0.00 2.22 0.23 0.00 0.00 176.35 178.77