#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 1.08 -0.11 0.03 1.70 -1.13 -1.41 118.95 119.10 2kyz s ARG 2 Ca 0.00 -1.49 -0.05 0.00 -0.47 0.00 0.00 55.73 53.72 2kyz s ARG 2 Cb 0.00 -0.42 0.05 0.00 -0.57 0.00 0.00 34.95 34.01 2kyz s ARG 2 CO 0.00 -0.04 0.25 0.71 -1.08 0.00 0.00 175.30 175.14 2kyz s TYR 3 N -3.51 -0.36 -0.85 5.89 2.02 -0.73 -1.81 117.35 118.01 2kyz s TYR 3 Ca 0.20 0.86 -0.23 0.00 -0.37 0.00 0.00 57.07 57.53 2kyz s TYR 3 Cb 0.05 -0.01 0.06 0.00 -0.40 0.00 0.00 41.96 41.66 2kyz s TYR 3 CO 0.02 -0.29 1.25 0.08 -1.57 0.00 0.00 175.55 175.04 2kyz s VAL 4 N 1.83 4.07 -0.13 0.71 1.01 -0.24 -3.06 120.40 124.58 2kyz s VAL 4 Ca -0.04 -0.45 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 2kyz s VAL 4 Cb -0.11 -4.90 -0.03 0.00 0.00 0.00 0.00 36.38 31.34 2kyz s VAL 4 CO -0.08 -1.75 0.73 -0.76 0.00 0.00 0.00 175.10 173.23 2kyz s LEU 5 N 4.67 4.23 -0.56 3.92 1.43 0.16 -1.96 118.68 130.57 2kyz s LEU 5 Ca 0.36 1.10 -0.26 0.00 -1.03 0.00 0.00 54.13 54.30 2kyz s LEU 5 Cb -0.06 -3.09 0.04 0.00 0.03 0.00 0.00 46.19 43.10 2kyz s LEU 5 CO 0.02 -0.25 1.03 -0.47 0.23 0.00 0.00 176.35 176.90 2kyz s TYR 6 N 1.53 2.73 -0.61 0.29 5.04 0.57 -1.47 117.35 125.43 2kyz s TYR 6 Ca 0.36 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 55.16 2kyz s TYR 6 Cb -0.17 -4.22 0.15 0.00 0.35 0.00 0.00 41.96 38.07 2kyz s TYR 6 CO 0.14 -1.43 0.38 0.08 -1.34 0.00 0.00 175.55 173.39 2kyz s VAL 7 N 4.29 3.02 0.64 3.14 1.01 -1.04 -1.22 120.40 130.24 2kyz s VAL 7 Ca 0.35 -3.50 0.35 0.00 0.00 0.00 0.00 61.98 59.18 2kyz s VAL 7 Cb -0.11 -3.02 0.38 0.00 0.00 0.00 0.00 36.38 33.64 2kyz s VAL 7 CO 0.22 -0.88 2.17 1.55 0.00 0.00 0.00 175.10 178.16 2kyz h PRO 8 N 6.33 0.00 0.00 2.72 0.13 -1.83 -3.02 132.00 136.33 2kyz h PRO 8 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kyz h PRO 8 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2kyz h PRO 8 CO 0.71 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.23 2kyz n ASP 9 N -3.31 0.00 -1.99 1.44 8.00 -1.26 -2.89 116.55 116.53 2kyz n ASP 9 Ca -0.01 -0.98 -0.09 0.00 0.71 0.00 0.00 54.79 54.42 2kyz n ASP 9 Cb 0.22 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.60 2kyz n ASP 9 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2kyz n ILE 10 N -0.57 2.97 1.02 0.53 5.41 -1.14 -4.46 119.36 123.12 2kyz n ILE 10 Ca 0.02 -1.75 0.07 0.00 1.00 0.00 0.00 62.75 62.09 2kyz n ILE 10 Cb 0.01 -0.38 0.40 0.00 -0.71 0.00 0.00 39.64 38.96 2kyz n ILE 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2kyz n SER 11 N -0.39 0.00 -4.26 4.38 2.88 -1.14 -4.42 113.62 110.67 2kyz n SER 11 Ca 0.44 -0.60 -0.18 0.00 -1.33 0.00 0.00 58.87 57.20 2kyz n SER 11 Cb 1.42 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.78 2kyz n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kyz h ASN 13 N 3.35 0.76 -0.54 0.00 2.35 -1.97 -2.63 115.58 116.89 2kyz h ASN 13 Ca -0.39 -0.63 0.02 0.00 -0.55 0.00 0.00 56.30 54.75 2kyz h ASN 13 Cb 1.20 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.32 2kyz h ASN 13 CO 0.53 1.26 0.36 -0.74 -1.65 0.00 0.00 177.43 177.19 2kyz h HIS 14 N 0.31 0.64 -0.62 1.19 2.76 -1.98 -0.37 115.15 117.08 2kyz h HIS 14 Ca -0.04 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 2kyz h HIS 14 Cb 1.23 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.93 2kyz h HIS 14 CO 0.10 0.39 0.36 0.00 -1.30 0.00 0.00 177.93 177.48 2kyz h LYS 16 N 0.71 0.47 -1.00 0.00 3.64 -0.70 0.11 116.57 119.80 2kyz h LYS 16 Ca 0.26 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 2kyz h LYS 16 Cb 0.07 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.71 2kyz h LYS 16 CO -0.12 0.31 0.64 0.52 -2.27 0.00 0.00 179.45 178.53 2kyz h MET 17 N 0.49 1.07 -0.95 1.90 2.86 -1.46 -2.76 114.93 116.08 2kyz h MET 17 Ca 0.24 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.87 2kyz h MET 17 Cb 0.33 -0.24 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 2kyz h MET 17 CO -0.07 0.71 0.61 0.00 1.06 0.00 0.00 176.91 179.23 2kyz h ARG 18 N 1.11 1.11 0.23 1.72 3.08 -0.82 -0.65 114.38 120.17 2kyz h ARG 18 Ca 0.45 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.43 2kyz h ARG 18 Cb 0.28 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2kyz h ARG 18 CO -0.20 0.73 -0.11 0.82 -1.07 0.00 0.00 179.97 180.14 2kyz h ILE 19 N 1.14 0.00 -0.68 2.04 5.03 -1.58 -3.27 117.51 120.20 2kyz h ILE 19 Ca 0.40 -0.33 0.12 0.00 -0.12 0.00 0.00 64.86 64.93 2kyz h ILE 19 Cb 0.11 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 33.81 2kyz h ILE 19 CO -0.15 0.00 0.24 0.28 -0.68 0.00 0.00 178.15 177.83 2kyz h SER 20 N -0.65 0.19 0.15 1.72 0.02 -1.19 0.65 113.55 114.43 2kyz h SER 20 Ca -0.03 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2kyz h SER 20 Cb 0.24 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 2kyz h SER 20 CO 0.05 0.09 -0.28 0.50 -1.14 0.00 0.00 176.83 176.05 2kyz h LYS 21 N 0.39 -0.49 -0.37 3.45 1.63 -1.30 -0.23 116.57 119.64 2kyz h LYS 21 Ca 0.36 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.18 2kyz h LYS 21 Cb 0.52 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 2kyz h LYS 21 CO -0.38 -0.33 0.18 0.00 -3.45 0.00 0.00 179.45 175.48 2kyz h ALA 22 N 0.18 1.63 0.13 5.00 0.00 -1.19 -2.91 119.26 122.09 2kyz h ALA 22 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2kyz h ALA 22 Cb 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2kyz h ALA 22 CO -0.15 0.31 -0.06 -0.07 0.00 0.00 0.00 179.25 179.28 2kyz h LEU 23 N 0.51 -0.14 -1.47 0.00 3.38 -0.21 -0.91 115.31 116.47 2kyz h LEU 23 Ca 0.13 -0.37 0.11 0.00 0.09 0.00 0.00 57.88 57.84 2kyz h LEU 23 Cb 0.05 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2kyz h LEU 23 CO -0.02 0.34 0.49 -0.33 0.09 0.00 0.00 178.44 179.01 2kyz h GLU 24 N -0.67 0.55 0.03 1.13 5.08 -1.01 -1.29 114.58 118.41 2kyz h GLU 24 Ca -0.02 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.04 2kyz h GLU 24 Cb 0.51 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.65 2kyz h GLU 24 CO 0.03 0.37 -1.09 0.93 -1.00 0.00 0.00 179.01 178.25 2kyz h GLU 25 N 0.57 0.66 0.00 2.33 4.39 -1.51 -3.19 114.58 117.83 2kyz h GLU 25 Ca 0.35 -0.75 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2kyz h GLU 25 Cb 0.59 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2kyz h GLU 25 CO -0.13 1.32 0.00 1.25 -1.16 0.00 0.00 179.01 180.30 2kyz h LEU 26 N 0.35 0.00 0.00 1.33 5.85 -0.07 -3.45 115.31 119.32 2kyz h LEU 26 Ca -0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2kyz h LEU 26 Cb 1.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.77 2kyz h LEU 26 CO 0.21 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.92 2kyz n GLY 27 N -0.90 1.20 3.65 3.75 0.00 -0.78 -5.05 105.19 107.06 2kyz n GLY 27 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2kyz n GLY 27 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kyz n VAL 28 N -1.25 3.23 0.00 1.61 0.31 -0.67 -4.94 118.33 116.61 2kyz n VAL 28 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2kyz n VAL 28 Cb 0.00 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 2kyz n VAL 28 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2kyz n LYS 29 N -0.57 3.81 -3.75 5.55 5.02 -1.26 -4.55 118.16 122.42 2kyz n LYS 29 Ca 0.11 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.28 2kyz n LYS 29 Cb 0.44 -0.58 -0.12 0.00 -0.02 0.00 0.00 35.03 34.75 2kyz n LYS 29 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2kyz s ASN 30 N -1.07 -0.31 -0.10 4.39 0.01 -1.26 -5.09 114.94 111.51 2kyz s ASN 30 Ca 0.00 0.59 -0.30 0.00 -0.71 0.00 0.00 52.86 52.44 2kyz s ASN 30 Cb 0.00 0.54 0.12 0.00 0.41 0.00 0.00 41.25 42.32 2kyz s ASN 30 CO 0.00 -0.13 0.98 -0.72 -1.51 0.00 0.00 177.10 175.71 2kyz s TYR 31 N 0.65 -0.34 -0.29 2.20 1.13 -1.26 -0.74 117.35 118.71 2kyz s TYR 31 Ca -0.04 0.42 -0.03 0.00 -1.41 0.00 0.00 57.07 56.00 2kyz s TYR 31 Cb -0.05 0.49 0.11 0.00 -1.10 0.00 0.00 41.96 41.40 2kyz s TYR 31 CO -0.04 -0.41 0.16 -1.21 -2.51 0.00 0.00 175.55 171.54 2kyz s GLU 32 N -2.01 0.21 -0.06 -3.49 2.02 -0.61 -4.97 118.70 109.78 2kyz s GLU 32 Ca 0.02 -0.45 -0.05 0.00 0.02 0.00 0.00 54.97 54.51 2kyz s GLU 32 Cb -0.01 -1.08 -0.04 0.00 0.10 0.00 0.00 34.13 33.11 2kyz s GLU 32 CO -0.03 -1.02 0.16 0.54 0.02 0.00 0.00 175.26 174.93 2kyz s VAL 33 N 2.15 5.43 -0.04 2.63 0.11 -1.26 -0.27 120.40 129.15 2kyz s VAL 33 Ca 0.09 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.18 2kyz s VAL 33 Cb -0.16 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 2kyz s VAL 33 CO -0.36 0.47 -0.12 -0.55 -3.33 0.00 0.00 175.10 171.21 2kyz s SER 34 N -1.47 1.65 0.04 3.54 0.15 -0.48 -5.01 113.70 112.12 2kyz s SER 34 Ca 0.21 -0.27 -0.04 0.00 0.70 0.00 0.00 55.95 56.55 2kyz s SER 34 Cb -0.12 -0.56 -0.28 0.00 -1.71 0.00 0.00 66.02 63.35 2kyz s SER 34 CO 0.11 0.08 0.99 0.58 1.20 0.00 0.00 173.24 176.20 2kyz h VAL 35 N 5.55 1.32 -0.05 4.45 2.07 -1.87 -2.38 116.25 125.34 2kyz h VAL 35 Ca -0.33 -2.92 -0.01 0.00 0.82 0.00 0.00 66.70 64.27 2kyz h VAL 35 Cb 1.18 2.86 -0.00 0.00 -1.52 0.00 0.00 31.29 33.80 2kyz h VAL 35 CO 0.48 0.85 -0.01 -0.33 0.02 0.00 0.00 177.57 178.58 2kyz h GLU 36 N 0.07 0.09 0.00 1.57 5.08 -1.96 -3.26 114.58 116.17 2kyz h GLU 36 Ca -0.19 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2kyz h GLU 36 Cb 2.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.25 2kyz h GLU 36 CO 0.19 0.45 -0.10 0.39 -1.00 0.00 0.00 179.01 178.94 2kyz n GLU 37 N -4.84 0.06 -3.78 2.33 -0.58 -1.25 -4.93 120.64 107.65 2kyz n GLU 37 Ca -0.07 0.04 -0.26 0.00 -0.42 0.00 0.00 57.16 56.45 2kyz n GLU 37 Cb 0.22 -1.57 0.02 0.00 -0.57 0.00 0.00 31.44 29.55 2kyz n GLU 37 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2kyz n LYS 38 N -1.67 -2.97 -3.77 3.49 5.02 -0.91 -4.97 118.16 112.37 2kyz n LYS 38 Ca 0.06 0.49 -0.13 0.00 -2.02 0.00 0.00 58.31 56.71 2kyz n LYS 38 Cb 0.36 -4.58 -0.11 0.00 -0.02 0.00 0.00 35.03 30.68 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 -6.16 0.42 -0.21 1.97 1.02 -1.09 -2.49 119.74 113.19 2kyz s LYS 39 Ca 0.17 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.45 2kyz s LYS 39 Cb -0.06 0.20 0.05 0.00 -0.52 0.00 0.00 37.83 37.50 2kyz s LYS 39 CO 0.86 -0.07 -0.10 0.08 -0.92 0.00 0.00 175.35 175.20 2kyz s VAL 40 N -0.18 1.69 0.21 3.17 1.01 -0.54 -1.38 120.40 124.38 2kyz s VAL 40 Ca -0.03 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.66 2kyz s VAL 40 Cb -0.03 -1.79 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 2kyz s VAL 40 CO 0.01 0.11 0.69 -0.69 0.00 0.00 0.00 175.10 175.22 2kyz s VAL 41 N 1.36 4.63 -0.04 2.92 1.01 0.62 -0.67 120.40 130.24 2kyz s VAL 41 Ca -0.03 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.17 2kyz s VAL 41 Cb -0.17 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 2kyz s VAL 41 CO -0.08 0.19 -0.16 0.68 0.00 0.00 0.00 175.10 175.74 2kyz s VAL 42 N -1.54 1.33 -0.95 2.92 -7.23 -1.17 -1.58 120.40 112.19 2kyz s VAL 42 Ca 0.43 -0.66 -0.02 0.00 -1.81 0.00 0.00 61.98 59.92 2kyz s VAL 42 Cb -0.16 -1.16 0.27 0.00 0.56 0.00 0.00 36.38 35.90 2kyz s VAL 42 CO 0.20 0.39 1.11 1.21 -0.31 0.00 0.00 175.10 177.70 2kyz n GLU 43 N 3.23 3.49 -4.34 4.82 2.13 0.08 -1.77 120.64 128.28 2kyz n GLU 43 Ca -0.19 -4.55 -0.24 0.00 0.66 0.00 0.00 57.16 52.85 2kyz n GLU 43 Cb 0.53 -2.44 -0.07 0.00 0.27 0.00 0.00 31.44 29.73 2kyz n GLU 43 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2kyz n THR 44 N 1.63 0.00 0.07 6.31 5.66 -0.50 -4.50 114.28 122.96 2kyz n THR 44 Ca 0.26 -2.39 0.02 0.00 -3.05 0.00 0.00 64.05 58.89 2kyz n THR 44 Cb 0.36 0.95 0.04 0.00 -1.55 0.00 0.00 70.33 70.14 2kyz n THR 44 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2kyz n GLU 45 N -0.83 1.21 -3.15 1.09 2.13 -1.26 -1.14 120.64 118.69 2kyz n GLU 45 Ca -0.02 -1.24 -0.22 0.00 0.66 0.00 0.00 57.16 56.34 2kyz n GLU 45 Cb 0.61 -1.10 -0.05 0.00 0.27 0.00 0.00 31.44 31.17 2kyz n GLU 45 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2kyz n ASN 46 N 0.12 1.95 -0.33 4.31 4.05 -1.26 -4.96 115.26 119.15 2kyz n ASN 46 Ca 0.04 -3.17 0.12 0.00 0.45 0.00 0.00 54.58 52.02 2kyz n ASN 46 Cb 0.22 -0.61 0.33 0.00 1.23 0.00 0.00 39.78 40.95 2kyz n ASN 46 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 2kyz h LEU 47 N 3.33 0.75 -0.83 1.20 5.85 -2.00 -2.33 115.31 121.28 2kyz h LEU 47 Ca 0.11 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.01 2kyz h LEU 47 Cb 0.80 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 2kyz h LEU 47 CO 0.61 0.34 0.46 -0.78 -0.34 0.00 0.00 178.44 178.72 2kyz h ASP 48 N 0.77 0.62 -0.54 1.25 3.58 -1.99 0.33 116.42 120.44 2kyz h ASP 48 Ca 0.52 0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.97 2kyz h ASP 48 Cb 0.78 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 2kyz h ASP 48 CO -0.29 0.33 0.13 -1.28 -2.88 0.00 0.00 179.24 175.26 2kyz h SER 49 N 0.73 0.86 0.04 2.28 0.87 -1.86 -1.75 113.55 114.72 2kyz h SER 49 Ca 0.41 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2kyz h SER 49 Cb 0.45 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2kyz h SER 49 CO -0.28 0.84 -0.02 0.58 -0.53 0.00 0.00 176.83 177.42 2kyz h VAL 50 N 0.87 1.16 -0.80 2.23 2.07 -1.01 -0.72 116.25 120.05 2kyz h VAL 50 Ca 0.19 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2kyz h VAL 50 Cb 0.33 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2kyz h VAL 50 CO 0.00 0.16 0.50 -0.07 0.02 0.00 0.00 177.57 178.18 2kyz h LEU 51 N -0.33 0.94 -0.13 2.57 3.38 -0.74 0.42 115.31 121.42 2kyz h LEU 51 Ca -0.01 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2kyz h LEU 51 Cb 0.30 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kyz h LEU 51 CO 0.01 0.70 -0.07 0.50 0.09 0.00 0.00 178.44 179.67 2kyz h LYS 52 N 1.09 0.28 -1.00 1.13 3.64 -1.34 -2.95 116.57 117.43 2kyz h LYS 52 Ca 0.29 -0.13 0.10 0.00 -1.27 0.00 0.00 60.65 59.65 2kyz h LYS 52 Cb -0.08 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.65 2kyz h LYS 52 CO -0.06 0.62 0.63 -0.22 -2.27 0.00 0.00 179.45 178.15 2kyz h LYS 53 N -0.06 1.01 0.04 1.90 1.63 -0.11 -0.42 116.57 120.55 2kyz h LYS 53 Ca 0.03 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2kyz h LYS 53 Cb 0.54 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2kyz h LYS 53 CO 0.02 0.67 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.60 2kyz h LEU 54 N 1.04 -0.04 -1.19 5.20 -0.00 -0.88 -1.78 115.31 117.66 2kyz h LEU 54 Ca 0.47 -0.12 -0.05 0.00 -0.00 0.00 0.00 57.88 58.18 2kyz h LEU 54 Cb 0.40 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.05 2kyz h LEU 54 CO -0.23 0.10 0.05 1.05 -0.00 0.00 0.00 178.44 179.40 2kyz h GLU 55 N -0.18 0.61 0.00 1.13 4.11 -1.30 -0.79 114.58 118.16 2kyz h GLU 55 Ca -0.01 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2kyz h GLU 55 Cb 0.16 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kyz h GLU 55 CO 0.01 0.59 0.00 0.93 0.07 0.00 0.00 179.01 180.61 2kyz h GLU 56 N 0.58 0.00 -0.60 1.06 4.39 -0.74 -2.41 114.58 116.86 2kyz h GLU 56 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2kyz h GLU 56 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2kyz h GLU 56 CO 0.00 0.00 0.00 0.44 -1.16 0.00 0.00 179.01 178.29 2kyz n ILE 57 N -2.42 0.91 -1.50 3.13 -5.35 -0.70 -4.95 119.36 108.48 2kyz n ILE 57 Ca 0.00 -0.96 -0.03 0.00 -0.27 0.00 0.00 62.75 61.50 2kyz n ILE 57 Cb 0.17 0.58 -0.01 0.00 -1.74 0.00 0.00 39.64 38.64 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 1.40 -2.68 -3.60 7.28 2.03 -0.91 -5.04 116.55 115.04 2kyz n ASP 58 Ca 0.21 0.04 -0.27 0.00 0.52 0.00 0.00 54.79 55.29 2kyz n ASP 58 Cb 0.58 -1.15 -0.10 0.00 -0.72 0.00 0.00 41.12 39.72 2kyz n ASP 58 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kyz n TYR 59 N -3.38 2.26 -1.80 -0.67 4.02 -0.36 -5.01 117.16 112.22 2kyz n TYR 59 Ca -0.03 -4.01 -0.42 0.00 -0.01 0.00 0.00 57.90 53.42 2kyz n TYR 59 Cb 0.28 -0.42 -0.03 0.00 -0.02 0.00 0.00 39.34 39.15 2kyz n TYR 59 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2kyz s PRO 60 N -1.48 4.13 0.05 -0.72 0.04 -1.26 -3.74 135.00 132.03 2kyz s PRO 60 Ca 0.32 2.43 -0.31 0.00 0.04 0.00 0.00 61.00 63.49 2kyz s PRO 60 Cb 0.05 -4.10 -0.06 0.00 0.04 0.00 0.00 34.50 30.43 2kyz s PRO 60 CO -0.12 -0.94 1.26 0.08 0.04 0.00 0.00 177.00 177.32 2kyz s VAL 61 N 4.39 3.86 -0.03 -0.36 1.01 -1.26 -4.66 120.40 123.35 2kyz s VAL 61 Ca 0.83 1.32 -0.19 0.00 0.00 0.00 0.00 61.98 63.94 2kyz s VAL 61 Cb -0.39 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 2kyz s VAL 61 CO 0.37 0.08 0.79 -0.08 0.00 0.00 0.00 175.10 176.26 2kyz h GLU 62 N 6.99 -0.53 -3.81 2.72 4.81 -1.54 -3.48 114.58 119.73 2kyz h GLU 62 Ca -0.41 0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 58.73 2kyz h GLU 62 Cb 1.20 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.62 2kyz h GLU 62 CO 0.84 -0.28 -0.15 -1.12 -0.73 0.00 0.00 179.01 177.57 2kyz s SER 63 N -4.95 0.22 0.28 1.04 0.01 -1.26 -5.03 113.70 104.02 2kyz s SER 63 Ca -0.10 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.03 2kyz s SER 63 Cb 0.01 0.61 -0.00 0.00 0.21 0.00 0.00 66.02 66.85 2kyz s SER 63 CO 0.33 -1.20 0.02 0.00 0.41 0.00 0.00 173.24 172.79 2kyz n TYR 64 N -0.44 0.55 -3.61 2.43 0.18 -1.26 -0.31 117.16 114.70 2kyz n TYR 64 Ca -0.01 -1.46 -0.11 0.00 1.88 0.00 0.00 57.90 58.21 2kyz n TYR 64 Cb 0.62 -0.15 -0.03 0.00 -0.38 0.00 0.00 39.34 39.39 2kyz n TYR 64 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2kyz s GLN 65 N -3.02 1.26 -0.09 -3.48 -0.21 -0.83 -4.91 119.66 108.39 2kyz s GLN 65 Ca 0.03 -0.70 -0.09 0.00 0.02 0.00 0.00 55.36 54.61 2kyz s GLN 65 Cb 0.00 0.53 -0.05 0.00 1.00 0.00 0.00 33.01 34.49 2kyz s GLN 65 CO 0.02 -0.53 0.22 -2.00 -2.12 0.00 0.00 175.29 170.88 2kyz s GLU 66 N -3.81 3.60 0.00 2.91 2.12 -1.26 -1.08 118.70 121.18 2kyz s GLU 66 Ca 0.05 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.40 2kyz s GLU 66 Cb -0.00 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.18 2kyz s GLU 66 CO -0.09 0.74 0.00 1.33 -0.54 0.00 0.00 175.26 176.70