#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kyz s ARG 2 N 0.00 1.30 -0.13 0.03 1.70 -1.26 -1.87 118.95 118.72 2kyz s ARG 2 Ca 0.00 -1.59 -0.07 0.00 -0.47 0.00 0.00 55.73 53.60 2kyz s ARG 2 Cb 0.00 -1.01 0.05 0.00 -0.57 0.00 0.00 34.95 33.42 2kyz s ARG 2 CO 0.00 0.14 0.31 0.71 -1.08 0.00 0.00 175.30 175.38 2kyz s TYR 3 N -3.06 -0.43 -0.28 5.89 2.02 -0.73 -2.31 117.35 118.45 2kyz s TYR 3 Ca 0.22 0.97 -0.22 0.00 -0.37 0.00 0.00 57.07 57.67 2kyz s TYR 3 Cb 0.01 0.13 -0.01 0.00 -0.40 0.00 0.00 41.96 41.69 2kyz s TYR 3 CO 0.06 -0.26 0.70 0.54 -1.57 0.00 0.00 175.55 175.02 2kyz s VAL 4 N 1.15 4.90 0.28 0.71 0.11 0.56 -2.37 120.40 125.74 2kyz s VAL 4 Ca -0.08 1.14 -0.01 0.00 -2.93 0.00 0.00 61.98 60.10 2kyz s VAL 4 Cb -0.08 -4.03 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 2kyz s VAL 4 CO -0.09 -0.10 0.49 -0.76 -3.33 0.00 0.00 175.10 171.32 2kyz s LEU 5 N 2.70 4.10 -0.31 2.54 1.43 0.69 -1.41 118.68 128.42 2kyz s LEU 5 Ca 0.29 0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2kyz s LEU 5 Cb -0.15 -3.32 0.06 0.00 0.03 0.00 0.00 46.19 42.81 2kyz s LEU 5 CO 0.10 -0.18 0.01 -0.47 0.23 0.00 0.00 176.35 176.04 2kyz s TYR 6 N -2.09 3.30 -0.55 0.29 5.04 0.29 -1.85 117.35 121.78 2kyz s TYR 6 Ca 0.40 -1.97 0.04 0.00 -2.44 0.00 0.00 57.07 53.10 2kyz s TYR 6 Cb -0.10 -2.21 0.15 0.00 0.35 0.00 0.00 41.96 40.15 2kyz s TYR 6 CO 0.32 -0.83 0.34 0.08 -1.34 0.00 0.00 175.55 174.12 2kyz s VAL 7 N 1.23 2.17 0.65 3.14 1.01 -0.32 -0.67 120.40 127.61 2kyz s VAL 7 Ca -0.04 -3.38 0.40 0.00 0.00 0.00 0.00 61.98 58.96 2kyz s VAL 7 Cb -0.20 -2.47 0.41 0.00 0.00 0.00 0.00 36.38 34.12 2kyz s VAL 7 CO -0.02 -0.94 2.28 1.55 0.00 0.00 0.00 175.10 177.98 2kyz h PRO 8 N 6.10 0.00 0.00 2.72 0.13 -1.84 -2.22 132.00 136.88 2kyz h PRO 8 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2kyz h PRO 8 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2kyz h PRO 8 CO 0.61 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.13 2kyz n ASP 9 N -3.20 0.45 -0.62 1.44 9.92 -1.26 -2.53 116.55 120.76 2kyz n ASP 9 Ca -0.03 0.66 0.00 0.00 -0.53 0.00 0.00 54.79 54.89 2kyz n ASP 9 Cb 0.13 -0.73 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 2kyz n ASP 9 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2kyz n ILE 10 N -2.05 0.18 0.31 0.53 5.41 -0.84 -4.27 119.36 118.64 2kyz n ILE 10 Ca 0.01 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.93 2kyz n ILE 10 Cb 0.11 -0.51 1.01 0.00 -0.71 0.00 0.00 39.64 39.54 2kyz n ILE 10 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2kyz h SER 11 N 0.25 0.00 -2.57 4.38 0.87 -1.75 -3.41 113.55 111.32 2kyz h SER 11 Ca 0.00 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.94 2kyz h SER 11 Cb 0.49 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.30 2kyz h SER 11 CO 0.00 0.00 -0.76 0.00 -0.53 0.00 0.00 176.83 175.54 2kyz h ASN 13 N 2.54 0.79 -0.27 0.00 -0.73 -1.97 -2.37 115.58 113.57 2kyz h ASN 13 Ca -0.43 -0.38 -0.03 0.00 1.87 0.00 0.00 56.30 57.33 2kyz h ASN 13 Cb 1.24 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 39.59 2kyz h ASN 13 CO 0.56 0.99 0.08 -0.74 -0.37 0.00 0.00 177.43 177.95 2kyz h HIS 14 N 0.58 0.50 -0.73 0.67 2.76 -1.97 -2.17 115.15 114.80 2kyz h HIS 14 Ca 0.10 -0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.33 2kyz h HIS 14 Cb 0.66 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 29.41 2kyz h HIS 14 CO 0.05 0.45 0.48 0.00 -1.30 0.00 0.00 177.93 177.61 2kyz h LYS 16 N 0.62 0.07 -0.33 0.00 3.64 -1.35 -2.18 116.57 117.04 2kyz h LYS 16 Ca 0.33 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 2kyz h LYS 16 Cb 0.47 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2kyz h LYS 16 CO -0.12 0.05 0.12 0.00 -2.27 0.00 0.00 179.45 177.23 2kyz h MET 17 N 0.07 0.50 -0.35 1.90 -0.00 -1.44 -3.11 114.93 112.51 2kyz h MET 17 Ca 0.06 -0.10 0.04 0.00 -0.00 0.00 0.00 59.70 59.70 2kyz h MET 17 Cb 0.15 -0.08 -0.07 0.00 -0.00 0.00 0.00 31.60 31.60 2kyz h MET 17 CO -0.01 0.52 -0.44 0.00 -0.00 0.00 0.00 176.91 176.98 2kyz h ARG 18 N 0.38 -0.28 0.15 -0.10 3.08 -1.48 0.13 114.38 116.26 2kyz h ARG 18 Ca 0.11 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2kyz h ARG 18 Cb 0.21 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2kyz h ARG 18 CO -0.01 -0.19 -0.07 0.82 -1.07 0.00 0.00 179.97 179.45 2kyz h ILE 19 N -0.29 0.88 -0.48 2.04 2.04 -1.61 -2.70 117.51 117.39 2kyz h ILE 19 Ca 0.06 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 2kyz h ILE 19 Cb 0.45 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2kyz h ILE 19 CO -0.48 0.03 0.15 -1.28 0.00 0.00 0.00 178.15 176.56 2kyz h SER 20 N -0.25 0.65 -0.64 1.72 0.87 -1.36 0.19 113.55 114.73 2kyz h SER 20 Ca -0.02 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 2kyz h SER 20 Cb 0.20 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 2kyz h SER 20 CO 0.03 0.63 0.30 0.50 -0.53 0.00 0.00 176.83 177.76 2kyz h LYS 21 N 0.70 0.92 0.00 2.24 1.63 -0.87 0.11 116.57 121.30 2kyz h LYS 21 Ca 0.16 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 2kyz h LYS 21 Cb 0.21 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2kyz h LYS 21 CO -0.01 0.74 -0.10 0.00 -3.45 0.00 0.00 179.45 176.63 2kyz h ALA 22 N 1.13 1.05 0.00 5.00 0.00 -0.92 -2.80 119.26 122.72 2kyz h ALA 22 Ca 0.22 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2kyz h ALA 22 Cb 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2kyz h ALA 22 CO -0.03 0.13 -0.48 -0.07 0.00 0.00 0.00 179.25 178.80 2kyz h LEU 23 N 0.00 0.00 -1.95 0.00 3.38 0.21 -2.89 115.31 114.06 2kyz h LEU 23 Ca -0.00 -0.71 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 2kyz h LEU 23 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2kyz h LEU 23 CO 0.01 1.14 -0.11 -0.33 0.09 0.00 0.00 178.44 179.24 2kyz h GLU 24 N -1.00 0.00 -0.21 1.13 5.08 -0.87 -0.45 114.58 118.26 2kyz h GLU 24 Ca -0.13 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.06 2kyz h GLU 24 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2kyz h GLU 24 CO -0.08 0.11 -0.53 1.05 -1.00 0.00 0.00 179.01 178.56 2kyz h GLU 25 N 0.00 0.73 -0.64 2.33 4.11 -1.63 -3.34 114.58 116.13 2kyz h GLU 25 Ca -0.00 -0.51 0.04 0.00 0.07 0.00 0.00 59.36 58.96 2kyz h GLU 25 Cb 0.25 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2kyz h GLU 25 CO 0.01 1.13 0.43 1.25 0.07 0.00 0.00 179.01 181.90 2kyz h LEU 26 N 0.44 0.65 0.00 3.06 5.85 -0.88 -3.45 115.31 120.98 2kyz h LEU 26 Ca -0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2kyz h LEU 26 Cb 1.15 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2kyz h LEU 26 CO 0.12 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 179.27 2kyz n GLY 27 N -1.45 1.77 3.69 3.75 0.00 -0.77 -5.09 105.19 107.09 2kyz n GLY 27 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2kyz n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kyz s VAL 28 N -2.00 2.19 0.00 1.61 0.11 -1.10 -4.98 120.40 116.23 2kyz s VAL 28 Ca 0.00 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 2kyz s VAL 28 Cb 0.00 -2.25 0.00 0.00 -1.53 0.00 0.00 36.38 32.60 2kyz s VAL 28 CO 0.00 -0.07 0.02 1.17 -3.33 0.00 0.00 175.10 172.89 2kyz n LYS 29 N -3.86 0.91 -3.69 1.54 0.00 -1.26 -4.84 118.16 106.97 2kyz n LYS 29 Ca 0.12 -0.02 -0.11 0.00 0.00 0.00 0.00 58.31 58.30 2kyz n LYS 29 Cb 0.52 -0.20 -0.11 0.00 0.00 0.00 0.00 35.03 35.24 2kyz n LYS 29 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2kyz s ASN 30 N -0.14 -0.28 0.27 3.14 0.01 -1.26 -5.07 114.94 111.61 2kyz s ASN 30 Ca 0.00 0.80 -0.18 0.00 -0.71 0.00 0.00 52.86 52.77 2kyz s ASN 30 Cb 0.00 0.83 0.01 0.00 0.41 0.00 0.00 41.25 42.50 2kyz s ASN 30 CO 0.00 -0.20 0.63 -0.72 -1.51 0.00 0.00 177.10 175.29 2kyz s TYR 31 N 1.80 0.01 -0.14 2.20 1.13 -1.26 -0.85 117.35 120.24 2kyz s TYR 31 Ca -0.06 -0.43 -0.19 0.00 -1.41 0.00 0.00 57.07 54.98 2kyz s TYR 31 Cb -0.10 0.51 0.05 0.00 -1.10 0.00 0.00 41.96 41.32 2kyz s TYR 31 CO -0.11 -1.14 0.49 -2.00 -2.51 0.00 0.00 175.55 170.27 2kyz s GLU 32 N -3.95 0.66 -0.03 -3.49 2.12 0.01 -4.96 118.70 109.05 2kyz s GLU 32 Ca 0.15 0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.98 2kyz s GLU 32 Cb -0.04 0.31 0.02 0.00 0.26 0.00 0.00 34.13 34.68 2kyz s GLU 32 CO 0.08 -0.12 -0.02 0.08 -0.54 0.00 0.00 175.26 174.73 2kyz s VAL 33 N -0.19 0.32 -0.10 3.70 1.01 -1.26 -0.92 120.40 122.97 2kyz s VAL 33 Ca -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 2kyz s VAL 33 Cb -0.03 -0.37 0.03 0.00 0.00 0.00 0.00 36.38 36.01 2kyz s VAL 33 CO 0.02 0.16 0.01 -0.44 0.00 0.00 0.00 175.10 174.86 2kyz s SER 34 N 0.79 1.84 0.05 3.32 0.01 -0.75 -5.03 113.70 113.93 2kyz s SER 34 Ca -0.09 -0.23 -0.23 0.00 1.31 0.00 0.00 55.95 56.72 2kyz s SER 34 Cb -0.12 -0.46 -0.14 0.00 0.21 0.00 0.00 66.02 65.50 2kyz s SER 34 CO -0.01 -0.22 1.50 0.58 0.41 0.00 0.00 173.24 175.50 2kyz h VAL 35 N 6.36 1.23 -0.84 3.43 2.07 -1.86 -0.15 116.25 126.49 2kyz h VAL 35 Ca -0.19 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.63 2kyz h VAL 35 Cb 1.12 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 2kyz h VAL 35 CO 0.27 0.20 0.55 -0.33 0.02 0.00 0.00 177.57 178.28 2kyz h GLU 36 N -0.10 1.12 0.00 1.57 4.39 -1.91 -2.78 114.58 116.87 2kyz h GLU 36 Ca 0.03 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2kyz h GLU 36 Cb 0.30 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2kyz h GLU 36 CO 0.00 0.75 -0.43 0.39 -1.16 0.00 0.00 179.01 178.56 2kyz n GLU 37 N -4.48 0.12 -4.18 2.33 1.02 -1.17 -4.94 120.64 109.34 2kyz n GLU 37 Ca 0.09 0.05 -0.34 0.00 -0.02 0.00 0.00 57.16 56.94 2kyz n GLU 37 Cb 0.02 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 29.82 2kyz n GLU 37 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2kyz n LYS 38 N -1.77 -2.89 -4.34 3.49 5.02 -0.09 -4.95 118.16 112.62 2kyz n LYS 38 Ca 0.05 0.35 -0.23 0.00 -2.02 0.00 0.00 58.31 56.46 2kyz n LYS 38 Cb 0.38 -4.82 -0.11 0.00 -0.02 0.00 0.00 35.03 30.46 2kyz n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2kyz s LYS 39 N -6.89 1.29 0.07 1.97 1.02 -1.05 -1.18 119.74 114.98 2kyz s LYS 39 Ca 0.50 -1.40 0.07 0.00 0.02 0.00 0.00 55.97 55.17 2kyz s LYS 39 Cb -0.28 -1.42 -0.03 0.00 -0.52 0.00 0.00 37.83 35.59 2kyz s LYS 39 CO 0.93 0.30 -0.20 0.08 -0.92 0.00 0.00 175.35 175.53 2kyz s VAL 40 N -1.89 1.63 -0.01 3.17 1.01 -0.77 -1.81 120.40 121.73 2kyz s VAL 40 Ca 0.15 -1.33 0.07 0.00 0.00 0.00 0.00 61.98 60.87 2kyz s VAL 40 Cb -0.07 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 2kyz s VAL 40 CO 0.07 0.07 -0.21 -0.69 0.00 0.00 0.00 175.10 174.34 2kyz s VAL 41 N -0.97 2.55 0.05 2.92 1.01 -0.09 -0.23 120.40 125.65 2kyz s VAL 41 Ca 0.06 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.09 2kyz s VAL 41 Cb -0.09 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 2kyz s VAL 41 CO 0.03 0.51 -0.22 0.68 0.00 0.00 0.00 175.10 176.09 2kyz s VAL 42 N -0.74 1.78 -0.40 2.92 -7.23 -1.00 -0.81 120.40 114.92 2kyz s VAL 42 Ca 0.12 -1.29 -0.05 0.00 -1.81 0.00 0.00 61.98 58.95 2kyz s VAL 42 Cb -0.10 -1.55 0.10 0.00 0.56 0.00 0.00 36.38 35.38 2kyz s VAL 42 CO 0.01 0.20 0.20 -0.70 -0.31 0.00 0.00 175.10 174.51 2kyz s GLU 43 N -1.29 2.25 0.25 4.82 2.12 -0.03 -1.78 118.70 125.04 2kyz s GLU 43 Ca 0.08 -1.65 -0.10 0.00 0.36 0.00 0.00 54.97 53.66 2kyz s GLU 43 Cb -0.09 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 2kyz s GLU 43 CO 0.02 -0.99 0.42 -0.08 -0.54 0.00 0.00 175.26 174.09 2kyz s THR 44 N 1.24 0.00 -0.03 -1.70 -1.32 -0.78 -4.10 115.64 108.96 2kyz s THR 44 Ca 0.05 -1.53 -0.22 0.00 -1.21 0.00 0.00 61.69 58.78 2kyz s THR 44 Cb -0.23 -2.30 -0.25 0.00 -1.51 0.00 0.00 72.50 68.21 2kyz s THR 44 CO -0.02 0.00 1.02 -0.33 -2.21 0.00 0.00 174.62 173.08 2kyz h GLU 45 N 2.30 0.31 -3.65 7.08 5.08 -1.98 -0.29 114.58 123.43 2kyz h GLU 45 Ca -0.28 -0.37 -0.74 0.00 -1.00 0.00 0.00 59.36 56.97 2kyz h GLU 45 Cb 1.25 0.12 -0.11 0.00 0.50 0.00 0.00 28.75 30.51 2kyz h GLU 45 CO 0.39 1.08 2.49 -1.71 -1.00 0.00 0.00 179.01 180.27 2kyz n ASN 46 N -4.29 4.78 -0.22 1.42 2.85 -1.26 -4.67 115.26 113.87 2kyz n ASN 46 Ca -0.11 -3.00 0.10 0.00 -0.11 0.00 0.00 54.58 51.46 2kyz n ASN 46 Cb 0.66 -1.54 0.38 0.00 1.24 0.00 0.00 39.78 40.51 2kyz n ASN 46 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2kyz h LEU 47 N 8.58 0.64 -0.44 1.20 5.85 -1.98 -3.09 115.31 126.05 2kyz h LEU 47 Ca 0.48 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.31 2kyz h LEU 47 Cb 0.62 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 2kyz h LEU 47 CO 1.73 0.37 -0.19 -0.78 -0.34 0.00 0.00 178.44 179.23 2kyz h ASP 48 N 0.70 -0.66 -0.44 1.25 1.82 -1.99 0.15 116.42 117.26 2kyz h ASP 48 Ca 0.38 0.16 -0.10 0.00 -0.39 0.00 0.00 57.03 57.08 2kyz h ASP 48 Cb 0.51 0.37 -0.02 0.00 0.68 0.00 0.00 39.33 40.87 2kyz h ASP 48 CO -0.15 -0.22 -0.08 -1.28 -1.61 0.00 0.00 179.24 175.90 2kyz h SER 49 N -0.10 0.87 -0.22 2.28 0.87 -1.95 -2.39 113.55 112.91 2kyz h SER 49 Ca 0.21 -0.26 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2kyz h SER 49 Cb 0.43 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2kyz h SER 49 CO -0.51 0.98 0.12 0.58 -0.53 0.00 0.00 176.83 177.47 2kyz h VAL 50 N 0.80 1.02 -0.58 2.23 2.07 -1.12 0.14 116.25 120.81 2kyz h VAL 50 Ca 0.14 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2kyz h VAL 50 Cb 0.59 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2kyz h VAL 50 CO 0.04 0.05 0.35 -0.07 0.02 0.00 0.00 177.57 177.96 2kyz h LEU 51 N 0.26 0.58 -0.71 2.57 3.38 -0.79 -0.30 115.31 120.29 2kyz h LEU 51 Ca 0.09 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2kyz h LEU 51 Cb 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2kyz h LEU 51 CO -0.05 0.41 -0.28 0.11 0.09 0.00 0.00 178.44 178.72 2kyz h LYS 52 N 0.70 0.69 -0.68 1.13 1.79 -1.20 -1.54 116.57 117.46 2kyz h LYS 52 Ca 0.23 -0.30 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 2kyz h LYS 52 Cb 0.01 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 2kyz h LYS 52 CO -0.09 0.89 0.33 -0.22 -1.08 0.00 0.00 179.45 179.27 2kyz h LYS 53 N 0.59 0.99 -0.24 3.15 1.63 -0.03 0.55 116.57 123.21 2kyz h LYS 53 Ca 0.07 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2kyz h LYS 53 Cb 0.78 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 2kyz h LYS 53 CO 0.06 0.78 0.13 -0.07 -3.45 0.00 0.00 179.45 176.90 2kyz h LEU 54 N 0.95 0.30 -0.76 5.20 -0.00 -0.87 -2.32 115.31 117.82 2kyz h LEU 54 Ca 0.23 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 2kyz h LEU 54 Cb 0.12 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 40.67 2kyz h LEU 54 CO -0.03 0.30 0.43 -0.33 -0.00 0.00 0.00 178.44 178.81 2kyz h GLU 55 N 0.27 1.05 -0.48 1.13 5.08 -0.95 -1.96 114.58 118.72 2kyz h GLU 55 Ca 0.08 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2kyz h GLU 55 Cb 0.07 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2kyz h GLU 55 CO -0.01 0.76 0.13 0.93 -1.00 0.00 0.00 179.01 179.82 2kyz h GLU 56 N 1.04 0.71 -0.13 2.33 5.08 -0.74 -0.96 114.58 121.91 2kyz h GLU 56 Ca 0.27 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2kyz h GLU 56 Cb 0.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2kyz h GLU 56 CO -0.05 0.64 0.00 0.44 -1.00 0.00 0.00 179.01 179.04 2kyz n ILE 57 N -4.31 0.00 -1.09 3.13 -5.35 -0.89 -4.86 119.36 105.99 2kyz n ILE 57 Ca 0.03 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.48 2kyz n ILE 57 Cb 0.20 -0.08 -0.01 0.00 -1.74 0.00 0.00 39.64 38.01 2kyz n ILE 57 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2kyz n ASP 58 N -0.43 -3.57 -4.04 7.28 2.03 -0.36 -4.99 116.55 112.46 2kyz n ASP 58 Ca 0.00 0.08 -0.34 0.00 0.52 0.00 0.00 54.79 55.05 2kyz n ASP 58 Cb 0.03 -1.35 -0.09 0.00 -0.72 0.00 0.00 41.12 39.00 2kyz n ASP 58 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2kyz s TYR 59 N -2.05 3.72 0.05 -0.67 1.51 -0.77 -5.01 117.35 114.14 2kyz s TYR 59 Ca 0.00 -3.09 -0.31 0.00 -1.01 0.00 0.00 57.07 52.67 2kyz s TYR 59 Cb 0.00 -3.07 -0.08 0.00 -0.11 0.00 0.00 41.96 38.70 2kyz s TYR 59 CO 0.00 -0.70 1.63 -1.25 -1.11 0.00 0.00 175.55 174.12 2kyz s PRO 60 N -1.19 4.21 0.35 -1.71 0.04 -1.26 -3.96 135.00 131.47 2kyz s PRO 60 Ca 0.25 2.28 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 2kyz s PRO 60 Cb -0.09 -3.63 -0.11 0.00 0.04 0.00 0.00 34.50 30.72 2kyz s PRO 60 CO -0.12 -0.73 1.40 0.08 0.04 0.00 0.00 177.00 177.67 2kyz s VAL 61 N 2.72 2.41 -0.04 -0.36 1.01 -1.26 -4.71 120.40 120.17 2kyz s VAL 61 Ca 0.73 0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.96 2kyz s VAL 61 Cb -0.38 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 2kyz s VAL 61 CO 0.31 0.10 0.69 -0.08 0.00 0.00 0.00 175.10 176.12 2kyz h GLU 62 N 3.33 -0.46 -2.87 2.72 4.81 -1.27 -3.50 114.58 117.34 2kyz h GLU 62 Ca -0.50 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.80 2kyz h GLU 62 Cb 1.23 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 2kyz h GLU 62 CO 0.66 -0.24 0.37 -1.12 -0.73 0.00 0.00 179.01 177.96 2kyz s SER 63 N -5.04 0.03 0.28 1.04 0.01 -1.25 -5.04 113.70 103.73 2kyz s SER 63 Ca -0.09 -1.05 -0.06 0.00 1.31 0.00 0.00 55.95 56.06 2kyz s SER 63 Cb 0.01 0.76 -0.01 0.00 0.21 0.00 0.00 66.02 66.98 2kyz s SER 63 CO 0.29 -1.51 0.41 -0.72 0.41 0.00 0.00 173.24 172.12 2kyz s TYR 64 N -2.13 0.81 0.20 2.43 -0.85 -1.26 -0.55 117.35 115.99 2kyz s TYR 64 Ca 0.18 -1.09 -0.15 0.00 -0.52 0.00 0.00 57.07 55.50 2kyz s TYR 64 Cb -0.04 -0.07 0.01 0.00 0.38 0.00 0.00 41.96 42.24 2kyz s TYR 64 CO 0.10 -0.98 0.46 1.14 -1.52 0.00 0.00 175.55 174.74 2kyz s GLN 65 N -3.65 1.36 1.09 -3.49 -2.07 -0.50 -4.99 119.66 107.41 2kyz s GLN 65 Ca 0.29 -1.02 -0.13 0.00 -1.82 0.00 0.00 55.36 52.68 2kyz s GLN 65 Cb 0.01 0.48 0.21 0.00 -1.09 0.00 0.00 33.01 32.61 2kyz s GLN 65 CO 0.14 -0.56 0.84 -1.91 -1.32 0.00 0.00 175.29 172.48 2kyz n GLU 66 N -0.32 -1.68 0.00 9.60 2.13 -1.26 -0.32 120.64 128.79 2kyz n GLU 66 Ca -0.08 -0.45 0.00 0.00 0.66 0.00 0.00 57.16 57.29 2kyz n GLU 66 Cb 0.62 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 30.22 2kyz n GLU 66 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00