#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kr5 s SER 8 N 0.00 1.34 0.03 0.00 1.04 -1.26 -4.96 113.70 109.88 1kr5 s SER 8 Ca 0.00 -1.56 -0.20 0.00 0.48 0.00 0.00 55.95 54.67 1kr5 s SER 8 Cb 0.00 0.41 -0.17 0.00 0.10 0.00 0.00 66.02 66.36 1kr5 s SER 8 CO 0.00 -0.90 1.26 -0.74 0.98 0.00 0.00 173.24 173.84 1kr5 h HIS 9 N 2.27 0.51 -0.17 5.02 -0.00 -1.97 -2.75 115.15 118.07 1kr5 h HIS 9 Ca -0.33 -0.20 0.04 0.00 -0.00 0.00 0.00 60.37 59.89 1kr5 h HIS 9 Cb 1.25 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 28.53 1kr5 h HIS 9 CO 1.02 0.90 -0.08 1.03 -0.00 0.00 0.00 177.93 180.80 1kr5 h SER 10 N -0.03 -0.26 -0.46 3.26 0.87 -1.97 0.02 113.55 114.98 1kr5 h SER 10 Ca -0.00 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1kr5 h SER 10 Cb 0.89 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.95 1kr5 h SER 10 CO 0.06 -0.10 0.19 -0.08 -0.53 0.00 0.00 176.83 176.36 1kr5 h GLU 11 N -0.06 0.36 -0.13 2.24 4.81 -1.97 0.35 114.58 120.18 1kr5 h GLU 11 Ca 0.09 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1kr5 h GLU 11 Cb 0.19 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1kr5 h GLU 11 CO -0.21 0.24 -0.11 1.25 -0.73 0.00 0.00 179.01 179.46 1kr5 h LEU 12 N 0.37 -0.34 -0.32 1.64 5.85 -1.09 0.79 115.31 122.22 1kr5 h LEU 12 Ca 0.21 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 1kr5 h LEU 12 Cb 0.19 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1kr5 h LEU 12 CO -0.20 -0.14 0.02 0.40 -0.34 0.00 0.00 178.44 178.18 1kr5 h ILE 13 N -0.12 1.25 -0.84 4.05 1.08 -0.42 -1.94 117.51 120.57 1kr5 h ILE 13 Ca 0.09 -0.89 0.04 0.00 -0.39 0.00 0.00 64.86 63.70 1kr5 h ILE 13 Cb 0.24 1.21 -0.05 0.00 -3.07 0.00 0.00 36.82 35.15 1kr5 h ILE 13 CO -0.21 0.29 0.55 0.45 -0.69 0.00 0.00 178.15 178.55 1kr5 h HIS 14 N 0.36 1.00 -0.40 1.37 3.86 -0.10 -2.12 115.15 119.12 1kr5 h HIS 14 Ca 0.09 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 1kr5 h HIS 14 Cb 0.40 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1kr5 h HIS 14 CO 0.03 0.57 0.18 -0.91 0.86 0.00 0.00 177.93 178.66 1kr5 h ASN 15 N 1.03 0.53 -0.30 2.45 4.21 -0.53 -0.50 115.58 122.47 1kr5 h ASN 15 Ca 0.34 -0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.69 1kr5 h ASN 15 Cb 0.06 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.11 1kr5 h ASN 15 CO -0.10 0.52 0.16 -0.07 -1.29 0.00 0.00 177.43 176.64 1kr5 h LEU 16 N 0.50 0.42 -0.06 1.61 3.38 -0.74 -0.86 115.31 119.56 1kr5 h LEU 16 Ca 0.13 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1kr5 h LEU 16 Cb 0.14 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1kr5 h LEU 16 CO -0.02 0.37 -0.10 -0.09 0.09 0.00 0.00 178.44 178.70 1kr5 h ARG 17 N 0.48 0.18 -0.56 1.13 2.43 -0.93 0.77 114.38 117.87 1kr5 h ARG 17 Ca 0.12 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1kr5 h ARG 17 Cb 0.07 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1kr5 h ARG 17 CO -0.02 0.68 0.37 0.87 -1.51 0.00 0.00 179.97 180.36 1kr5 h LYS 18 N -0.30 0.66 -0.04 0.20 1.57 -0.71 -0.85 116.57 117.09 1kr5 h LYS 18 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1kr5 h LYS 18 Cb 0.66 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1kr5 h LYS 18 CO 0.02 0.43 0.00 0.09 -0.57 0.00 0.00 179.45 179.43 1kr5 n ASN 19 N -4.46 0.49 0.00 0.86 3.02 -0.36 -4.90 115.26 109.90 1kr5 n ASN 19 Ca 0.06 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 1kr5 n ASN 19 Cb 0.12 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1kr5 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kr5 n GLY 20 N 0.90 0.95 0.16 7.41 0.00 -0.32 -4.90 105.19 109.39 1kr5 n GLY 20 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1kr5 n GLY 20 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1kr5 h ILE 21 N 0.00 1.29 -3.15 -0.61 1.08 -1.07 -3.40 117.51 111.65 1kr5 h ILE 21 Ca 0.00 -1.07 -0.61 0.00 -0.39 0.00 0.00 64.86 62.79 1kr5 h ILE 21 Cb 0.00 1.51 -0.10 0.00 -3.07 0.00 0.00 36.82 35.16 1kr5 h ILE 21 CO 0.00 0.33 -0.39 -0.63 -0.69 0.00 0.00 178.15 176.77 1kr5 s ILE 22 N -4.74 5.35 0.00 -0.67 1.01 -0.92 -4.62 121.20 116.61 1kr5 s ILE 22 Ca -0.14 0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1kr5 s ILE 22 Cb 0.07 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1kr5 s ILE 22 CO 0.76 0.46 0.52 2.29 0.00 0.00 0.00 174.94 178.97 1kr5 n LYS 23 N 3.13 0.00 -4.46 2.79 2.85 -1.26 -4.43 118.16 116.77 1kr5 n LYS 23 Ca -0.15 -0.52 -0.21 0.00 -1.05 0.00 0.00 58.31 56.39 1kr5 n LYS 23 Cb 0.52 -0.47 -0.15 0.00 -0.65 0.00 0.00 35.03 34.28 1kr5 n LYS 23 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1kr5 s THR 24 N 0.00 0.87 0.45 0.58 -4.23 -1.26 -5.03 115.64 107.02 1kr5 s THR 24 Ca 0.00 -0.43 0.11 0.00 -1.18 0.00 0.00 61.69 60.19 1kr5 s THR 24 Cb 0.00 -0.76 0.24 0.00 1.34 0.00 0.00 72.50 73.32 1kr5 s THR 24 CO 0.00 0.26 2.05 -0.78 -0.54 0.00 0.00 174.62 175.62 1kr5 h ASP 25 N 6.21 0.21 0.18 3.99 3.58 -1.98 -0.98 116.42 127.63 1kr5 h ASP 25 Ca -0.33 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 1kr5 h ASP 25 Cb 1.17 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1kr5 h ASP 25 CO 0.49 0.22 -0.09 0.50 -2.88 0.00 0.00 179.24 177.48 1kr5 h LYS 26 N 0.24 -0.23 -0.44 0.28 3.64 -1.99 -0.39 116.57 117.67 1kr5 h LYS 26 Ca 0.06 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1kr5 h LYS 26 Cb 0.09 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1kr5 h LYS 26 CO -0.00 -0.10 0.12 0.28 -2.27 0.00 0.00 179.45 177.48 1kr5 h VAL 27 N -0.31 1.19 -0.89 2.00 2.07 -1.87 -1.08 116.25 117.37 1kr5 h VAL 27 Ca -0.02 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1kr5 h VAL 27 Cb 0.24 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1kr5 h VAL 27 CO 0.04 0.25 0.48 0.15 0.02 0.00 0.00 177.57 178.50 1kr5 h PHE 28 N 0.64 1.23 -0.01 1.57 3.04 -0.64 -0.68 116.94 122.08 1kr5 h PHE 28 Ca 0.15 -0.03 -0.26 0.00 3.98 0.00 0.00 57.97 61.80 1kr5 h PHE 28 Cb 0.22 -0.39 0.02 0.00 2.56 0.00 0.00 35.95 38.36 1kr5 h PHE 28 CO 0.01 0.85 -1.02 0.93 -2.02 0.00 0.00 178.31 177.07 1kr5 h GLU 29 N 1.25 0.71 0.00 1.11 4.39 -0.58 -1.00 114.58 120.46 1kr5 h GLU 29 Ca 0.31 -0.75 0.03 0.00 0.34 0.00 0.00 59.36 59.29 1kr5 h GLU 29 Cb 0.04 0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1kr5 h GLU 29 CO -0.05 1.32 -0.23 0.28 -1.16 0.00 0.00 179.01 179.18 1kr5 h VAL 30 N 0.39 0.48 -0.57 3.13 2.07 -0.94 0.49 116.25 121.29 1kr5 h VAL 30 Ca -0.12 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1kr5 h VAL 30 Cb 1.67 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1kr5 h VAL 30 CO 0.20 0.00 0.33 0.24 0.02 0.00 0.00 177.57 178.36 1kr5 h MET 31 N -0.36 0.63 -0.77 1.57 2.86 -1.16 -2.05 114.93 115.65 1kr5 h MET 31 Ca 0.06 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1kr5 h MET 31 Cb 0.44 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1kr5 h MET 31 CO -0.20 0.41 0.28 1.25 1.06 0.00 0.00 176.91 179.71 1kr5 h LEU 32 N 0.65 1.08 0.00 1.22 5.85 -0.47 -2.55 115.31 121.08 1kr5 h LEU 32 Ca 0.24 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1kr5 h LEU 32 Cb 0.07 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1kr5 h LEU 32 CO -0.12 0.98 0.00 0.00 -0.34 0.00 0.00 178.44 178.96 1kr5 n ALA 33 N -2.44 2.14 -3.64 1.25 0.00 0.16 -4.31 120.51 113.67 1kr5 n ALA 33 Ca 0.07 -0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 1kr5 n ALA 33 Cb 0.21 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 1kr5 n ALA 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1kr5 n THR 34 N -1.43 2.90 -1.68 0.00 -1.04 -0.82 -5.06 114.28 107.15 1kr5 n THR 34 Ca 0.08 -5.12 -0.45 0.00 -2.04 0.00 0.00 64.05 56.52 1kr5 n THR 34 Cb 0.25 -2.33 -0.04 0.00 -1.82 0.00 0.00 70.33 66.40 1kr5 n THR 34 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1kr5 n ASP 35 N 2.13 3.79 0.28 8.00 -0.08 -1.26 -4.88 116.55 124.52 1kr5 n ASP 35 Ca 0.22 0.97 0.19 0.00 -1.51 0.00 0.00 54.79 54.66 1kr5 n ASP 35 Cb 0.37 -1.47 0.92 0.00 2.34 0.00 0.00 41.12 43.27 1kr5 n ASP 35 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1kr5 h ARG 36 N 9.09 0.00 0.00 -0.67 3.08 -1.91 -2.64 114.38 121.33 1kr5 h ARG 36 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1kr5 h ARG 36 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1kr5 h ARG 36 CO 0.94 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.50 1kr5 h SER 37 N 0.00 0.00 1.39 7.04 4.64 -1.86 0.31 113.55 125.07 1kr5 h SER 37 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kr5 h SER 37 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1kr5 h SER 37 CO 0.00 0.00 -0.32 0.45 -0.87 0.00 0.00 176.83 176.09 1kr5 h HIS 38 N 0.00 0.00 0.00 4.77 3.86 -1.84 -3.37 115.15 118.56 1kr5 h HIS 38 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1kr5 h HIS 38 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1kr5 h HIS 38 CO 0.00 0.00 -0.23 0.66 0.86 0.00 0.00 177.93 179.22 1kr5 n TYR 39 N -2.53 0.00 -4.05 2.45 4.02 -0.33 -4.63 117.16 112.09 1kr5 n TYR 39 Ca 0.04 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.61 1kr5 n TYR 39 Cb 0.48 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.63 1kr5 n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1kr5 s ALA 40 N -1.30 2.06 0.07 -0.72 0.00 0.94 -4.89 121.76 117.92 1kr5 s ALA 40 Ca 0.00 -1.07 -0.37 0.00 0.00 0.00 0.00 51.96 50.52 1kr5 s ALA 40 Cb 0.01 -1.14 -0.20 0.00 0.00 0.00 0.00 23.12 21.80 1kr5 s ALA 40 CO 0.06 -0.44 1.58 0.87 0.00 0.00 0.00 175.76 177.83 1kr5 h LYS 41 N 8.00 -1.19 -6.60 0.00 1.79 -1.87 -3.40 116.57 113.30 1kr5 h LYS 41 Ca -0.39 0.08 -0.67 0.00 -2.18 0.00 0.00 60.65 57.48 1kr5 h LYS 41 Cb 1.13 0.27 -0.18 0.00 -1.58 0.00 0.00 32.23 31.87 1kr5 h LYS 41 CO 0.56 -0.79 -0.77 0.00 -1.08 0.00 0.00 179.45 177.37 1kr5 n ASN 43 N 1.00 -2.31 0.25 0.00 3.02 -1.26 -4.85 115.26 111.11 1kr5 n ASN 43 Ca -0.15 -1.09 0.10 0.00 -0.03 0.00 0.00 54.58 53.41 1kr5 n ASN 43 Cb 0.52 -2.77 0.67 0.00 -0.61 0.00 0.00 39.78 37.59 1kr5 n ASN 43 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1kr5 h PRO 44 N -1.98 0.00 -0.70 3.52 0.13 -1.85 -3.10 132.00 128.01 1kr5 h PRO 44 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1kr5 h PRO 44 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1kr5 h PRO 44 CO 0.57 0.12 0.00 0.66 -0.23 0.00 0.00 178.00 179.12 1kr5 n TYR 45 N -3.97 1.20 -3.70 1.56 0.53 -1.26 -4.76 117.16 106.75 1kr5 n TYR 45 Ca -0.02 -0.53 -0.37 0.00 -1.02 0.00 0.00 57.90 55.95 1kr5 n TYR 45 Cb 0.21 -0.11 -0.06 0.00 -1.03 0.00 0.00 39.34 38.35 1kr5 n TYR 45 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1kr5 s MET 46 N -1.39 3.70 -1.07 -0.72 0.23 -1.18 -4.32 119.30 114.56 1kr5 s MET 46 Ca 0.50 0.10 -0.15 0.00 -1.03 0.00 0.00 55.69 55.10 1kr5 s MET 46 Cb 0.29 -3.22 -0.08 0.00 -1.53 0.00 0.00 34.83 30.28 1kr5 s MET 46 CO 0.29 0.70 2.17 -3.47 -2.03 0.00 0.00 175.02 172.67 1kr5 n ASP 47 N 2.07 4.18 -3.46 -1.18 2.03 -1.26 -4.69 116.55 114.24 1kr5 n ASP 47 Ca -0.17 -2.61 -0.13 0.00 0.52 0.00 0.00 54.79 52.40 1kr5 n ASP 47 Cb 0.54 -1.29 -0.03 0.00 -0.72 0.00 0.00 41.12 39.62 1kr5 n ASP 47 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1kr5 s SER 48 N 3.85 -0.55 0.66 1.67 1.04 -1.26 -4.78 113.70 114.32 1kr5 s SER 48 Ca 0.52 0.17 -0.16 0.00 0.48 0.00 0.00 55.95 56.96 1kr5 s SER 48 Cb 0.14 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.80 1kr5 s SER 48 CO 0.01 -0.82 1.18 -2.16 0.98 0.00 0.00 173.24 172.43 1kr5 s PRO 49 N -3.01 2.63 0.01 4.02 0.04 -1.26 -4.41 135.00 133.02 1kr5 s PRO 49 Ca -0.01 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1kr5 s PRO 49 Cb -0.01 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1kr5 s PRO 49 CO -0.07 -1.44 -0.10 -0.65 0.04 0.00 0.00 177.00 174.78 1kr5 s GLN 50 N -3.72 0.73 0.42 4.56 -1.52 -0.78 -4.95 119.66 114.40 1kr5 s GLN 50 Ca 0.74 -0.43 -0.25 0.00 -1.95 0.00 0.00 55.36 53.47 1kr5 s GLN 50 Cb -0.27 -0.69 -0.08 0.00 -0.22 0.00 0.00 33.01 31.74 1kr5 s GLN 50 CO 0.39 0.18 1.26 0.45 -0.25 0.00 0.00 175.29 177.32 1kr5 s SER 51 N -0.49 6.28 -0.10 5.90 0.15 -1.26 0.52 113.70 124.70 1kr5 s SER 51 Ca 0.02 2.54 0.13 0.00 0.70 0.00 0.00 55.95 59.34 1kr5 s SER 51 Cb -0.05 -2.63 0.26 0.00 -1.71 0.00 0.00 66.02 61.89 1kr5 s SER 51 CO -0.00 -0.86 1.13 2.30 1.20 0.00 0.00 173.24 177.00 1kr5 n ILE 52 N -0.03 1.22 -0.02 6.45 -5.35 -0.33 -4.74 119.36 116.55 1kr5 n ILE 52 Ca 0.05 -1.71 0.00 0.00 -0.27 0.00 0.00 62.75 60.82 1kr5 n ILE 52 Cb 0.45 0.11 -0.00 0.00 -1.74 0.00 0.00 39.64 38.46 1kr5 n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kr5 n GLY 53 N -0.75 -1.58 2.40 3.28 0.00 -1.23 -4.88 105.19 102.43 1kr5 n GLY 53 Ca 0.11 -1.52 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 1kr5 n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1kr5 n PHE 54 N -1.71 -0.96 -1.71 1.61 3.01 -1.26 -1.09 117.46 115.35 1kr5 n PHE 54 Ca -0.00 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 1kr5 n PHE 54 Cb 0.01 -3.39 -0.04 0.00 -0.01 0.00 0.00 39.48 36.05 1kr5 n PHE 54 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1kr5 n GLN 55 N -2.76 -0.94 -4.42 -1.08 -0.06 -1.26 -4.67 117.38 102.18 1kr5 n GLN 55 Ca -0.20 0.82 -0.21 0.00 -2.00 0.00 0.00 57.00 55.41 1kr5 n GLN 55 Cb 0.64 -4.93 -0.10 0.00 -4.06 0.00 0.00 30.24 21.78 1kr5 n GLN 55 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1kr5 s ALA 56 N -2.54 2.40 0.04 1.69 0.00 -0.25 -5.07 121.76 118.02 1kr5 s ALA 56 Ca 0.00 -1.83 -0.01 0.00 0.00 0.00 0.00 51.96 50.12 1kr5 s ALA 56 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1kr5 s ALA 56 CO 0.00 0.08 -0.01 0.95 0.00 0.00 0.00 175.76 176.78 1kr5 s THR 57 N -2.83 0.16 -0.07 0.00 -4.23 -1.26 -1.19 115.64 106.22 1kr5 s THR 57 Ca 0.27 -1.33 -0.27 0.00 -1.18 0.00 0.00 61.69 59.18 1kr5 s THR 57 Cb -0.00 -0.90 -0.03 0.00 1.34 0.00 0.00 72.50 72.92 1kr5 s THR 57 CO 0.11 -0.74 0.87 -0.51 -0.54 0.00 0.00 174.62 173.82 1kr5 s ILE 58 N -2.70 4.91 0.97 2.99 2.07 0.18 -4.84 121.20 124.79 1kr5 s ILE 58 Ca -0.04 1.78 -0.11 0.00 -1.41 0.00 0.00 60.65 60.87 1kr5 s ILE 58 Cb -0.01 -4.20 0.16 0.00 0.13 0.00 0.00 42.46 38.54 1kr5 s ILE 58 CO -0.05 0.13 1.02 -1.20 -1.91 0.00 0.00 174.94 172.93 1kr5 n SER 59 N 4.32 -0.35 -4.77 4.50 7.64 -1.26 -1.86 113.62 121.84 1kr5 n SER 59 Ca 0.04 0.30 -0.39 0.00 1.01 0.00 0.00 58.87 59.83 1kr5 n SER 59 Cb 0.50 -1.40 -0.01 0.00 -1.01 0.00 0.00 64.21 62.29 1kr5 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kr5 s ALA 60 N -2.56 3.23 0.29 -0.43 0.00 -1.26 -4.61 121.76 116.42 1kr5 s ALA 60 Ca 0.66 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.76 1kr5 s ALA 60 Cb -0.23 -3.44 0.72 0.00 0.00 0.00 0.00 23.12 20.17 1kr5 s ALA 60 CO 0.60 -0.67 1.68 -1.35 0.00 0.00 0.00 175.76 176.03 1kr5 h PRO 61 N 2.75 0.34 -0.17 0.00 0.11 -1.83 -0.72 132.00 132.48 1kr5 h PRO 61 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1kr5 h PRO 61 Cb 1.24 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1kr5 h PRO 61 CO 0.63 0.22 0.02 1.12 -0.21 0.00 0.00 178.00 179.78 1kr5 h HIS 62 N 0.35 0.24 -0.01 0.65 2.07 -1.91 -1.74 115.15 114.80 1kr5 h HIS 62 Ca 0.55 -0.01 -0.11 0.00 -2.85 0.00 0.00 60.37 57.96 1kr5 h HIS 62 Cb 1.06 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 30.95 1kr5 h HIS 62 CO -0.17 0.24 -0.50 0.52 -3.07 0.00 0.00 177.93 174.95 1kr5 h MET 63 N 0.24 0.03 -0.33 5.12 2.86 -1.50 0.44 114.93 121.79 1kr5 h MET 63 Ca 0.06 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 1kr5 h MET 63 Cb 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1kr5 h MET 63 CO 0.00 0.53 -0.20 0.45 1.06 0.00 0.00 176.91 178.75 1kr5 h HIS 64 N 0.02 0.84 -0.37 -0.22 3.86 -1.21 -2.27 115.15 115.81 1kr5 h HIS 64 Ca -0.00 -0.22 -0.06 0.00 -1.16 0.00 0.00 60.37 58.93 1kr5 h HIS 64 Cb 0.90 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 1kr5 h HIS 64 CO 0.00 0.95 -0.00 0.00 0.86 0.00 0.00 177.93 179.74 1kr5 h ALA 65 N 0.76 0.49 -0.52 2.45 0.00 -1.09 -0.90 119.26 120.46 1kr5 h ALA 65 Ca 0.07 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1kr5 h ALA 65 Cb 0.75 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1kr5 h ALA 65 CO 0.06 0.26 0.26 1.88 0.00 0.00 0.00 179.25 181.71 1kr5 h TYR 66 N 0.46 0.47 0.08 0.00 0.99 -0.87 -0.20 116.97 117.90 1kr5 h TYR 66 Ca 0.10 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.86 1kr5 h TYR 66 Cb 0.46 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 38.05 1kr5 h TYR 66 CO 0.04 0.22 -0.07 0.00 -0.00 0.00 0.00 178.16 178.35 1kr5 h ALA 67 N 1.29 -0.14 -0.99 3.88 0.00 -1.20 -0.72 119.26 121.38 1kr5 h ALA 67 Ca 0.23 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1kr5 h ALA 67 Cb 0.15 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1kr5 h ALA 67 CO -0.17 -0.59 0.65 -0.07 0.00 0.00 0.00 179.25 179.07 1kr5 h LEU 68 N -0.16 1.11 -0.63 0.00 3.38 -0.74 -1.43 115.31 116.84 1kr5 h LEU 68 Ca 0.00 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1kr5 h LEU 68 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1kr5 h LEU 68 CO -0.02 0.79 -0.47 -0.33 0.09 0.00 0.00 178.44 178.50 1kr5 h GLU 69 N 1.31 0.52 -0.01 1.13 4.39 -0.82 -1.85 114.58 119.24 1kr5 h GLU 69 Ca 0.37 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.67 1kr5 h GLU 69 Cb -0.10 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1kr5 h GLU 69 CO -0.09 0.88 -0.52 -0.07 -1.16 0.00 0.00 179.01 178.05 1kr5 h LEU 70 N 0.41 0.04 -3.05 1.33 4.07 -0.65 -3.08 115.31 114.39 1kr5 h LEU 70 Ca 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1kr5 h LEU 70 Cb 0.99 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.71 1kr5 h LEU 70 CO 0.09 0.56 0.00 0.18 -1.08 0.00 0.00 178.44 178.19 1kr5 n LEU 71 N -3.92 4.07 -0.31 1.67 4.77 -0.58 -4.75 117.00 117.95 1kr5 n LEU 71 Ca -0.02 -2.37 -0.10 0.00 -0.03 0.00 0.00 56.01 53.49 1kr5 n LEU 71 Cb 0.54 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1kr5 n LEU 71 CO 0.41 0.79 0.51 0.15 -1.33 0.00 0.00 177.39 177.93 1kr5 h PHE 72 N 3.22 -1.64 -0.11 -1.77 3.57 -1.24 -0.02 116.94 118.94 1kr5 h PHE 72 Ca 0.00 0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 1kr5 h PHE 72 Cb 1.22 0.82 -0.01 0.00 2.79 0.00 0.00 35.95 40.77 1kr5 h PHE 72 CO 0.56 -0.41 -0.21 -0.44 -2.23 0.00 0.00 178.31 175.58 1kr5 h ASP 73 N -0.13 0.18 1.21 0.41 3.32 -1.86 -1.92 116.42 117.62 1kr5 h ASP 73 Ca 0.17 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1kr5 h ASP 73 Cb 0.50 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1kr5 h ASP 73 CO -0.82 0.40 0.00 0.00 -1.72 0.00 0.00 179.24 177.09 1kr5 n GLN 74 N -4.22 0.13 -1.62 3.56 3.00 -0.53 -3.62 117.38 114.08 1kr5 n GLN 74 Ca -0.01 0.12 -0.34 0.00 -0.01 0.00 0.00 57.00 56.76 1kr5 n GLN 74 Cb 0.31 -1.66 0.06 0.00 0.00 0.00 0.00 30.24 28.95 1kr5 n GLN 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1kr5 n LEU 75 N -1.89 7.06 -4.86 1.08 4.32 -0.14 -4.40 117.00 118.18 1kr5 n LEU 75 Ca 0.06 -4.52 -0.30 0.00 -0.02 0.00 0.00 56.01 51.22 1kr5 n LEU 75 Cb 0.38 -0.86 0.04 0.00 -1.62 0.00 0.00 43.42 41.35 1kr5 n LEU 75 CO 0.28 1.67 0.73 -1.38 -1.22 0.00 0.00 177.39 177.47 1kr5 s HIS 76 N -3.83 3.31 0.14 -1.77 -3.43 -1.24 -3.84 115.29 104.64 1kr5 s HIS 76 Ca 0.59 1.19 -0.34 0.00 -0.80 0.00 0.00 55.06 55.70 1kr5 s HIS 76 Cb 0.47 -2.95 -0.16 0.00 -1.43 0.00 0.00 32.58 28.52 1kr5 s HIS 76 CO -0.09 -1.14 1.34 -1.91 -2.00 0.00 0.00 174.74 170.94 1kr5 n GLU 77 N -3.01 1.43 0.00 -0.38 4.07 -1.26 -0.66 120.64 120.83 1kr5 n GLU 77 Ca 0.07 0.51 0.00 0.00 -0.06 0.00 0.00 57.16 57.68 1kr5 n GLU 77 Cb 0.56 -2.14 0.00 0.00 -0.06 0.00 0.00 31.44 29.80 1kr5 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1kr5 n GLY 78 N 2.48 2.45 3.58 8.31 0.00 0.47 -4.88 105.19 117.59 1kr5 n GLY 78 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1kr5 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kr5 s ALA 79 N -2.37 0.50 -0.14 4.61 0.00 0.17 -4.39 121.76 120.13 1kr5 s ALA 79 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.17 1kr5 s ALA 79 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1kr5 s ALA 79 CO 0.00 -3.28 -0.19 0.21 0.00 0.00 0.00 175.76 172.50 1kr5 s LYS 80 N -4.57 3.10 0.15 0.00 2.47 -1.26 -1.74 119.74 117.89 1kr5 s LYS 80 Ca 0.67 -0.81 0.07 0.00 -1.56 0.00 0.00 55.97 54.34 1kr5 s LYS 80 Cb -0.24 -2.50 -0.04 0.00 -1.46 0.00 0.00 37.83 33.59 1kr5 s LYS 80 CO 0.61 0.01 -0.15 0.00 0.16 0.00 0.00 175.35 175.99 1kr5 s ALA 81 N 0.78 1.74 -0.08 3.13 0.00 -0.38 -0.24 121.76 126.71 1kr5 s ALA 81 Ca -0.07 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.46 1kr5 s ALA 81 Cb -0.16 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1kr5 s ALA 81 CO -0.00 0.11 -0.10 -1.17 0.00 0.00 0.00 175.76 174.60 1kr5 s LEU 82 N -2.76 1.44 -0.36 0.00 2.96 -0.24 -0.92 118.68 118.80 1kr5 s LEU 82 Ca 0.14 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.72 1kr5 s LEU 82 Cb -0.04 -0.80 0.07 0.00 0.50 0.00 0.00 46.19 45.92 1kr5 s LEU 82 CO 0.05 -0.03 0.14 -0.62 -1.32 0.00 0.00 176.35 174.56 1kr5 s ASP 83 N 1.09 5.25 -0.02 3.68 2.15 0.10 -1.02 116.67 127.90 1kr5 s ASP 83 Ca -0.07 -1.49 -0.25 0.00 0.43 0.00 0.00 52.55 51.18 1kr5 s ASP 83 Cb -0.14 -1.84 -0.04 0.00 -0.30 0.00 0.00 42.92 40.59 1kr5 s ASP 83 CO -0.01 -0.41 0.75 -0.69 -0.17 0.00 0.00 175.17 174.64 1kr5 s VAL 84 N 1.30 4.92 -0.43 1.11 1.01 0.32 -1.56 120.40 127.07 1kr5 s VAL 84 Ca 0.01 1.57 -0.01 0.00 0.00 0.00 0.00 61.98 63.55 1kr5 s VAL 84 Cb -0.21 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1kr5 s VAL 84 CO -0.00 0.28 0.36 0.61 0.00 0.00 0.00 175.10 176.36 1kr5 n GLY 85 N 2.83 0.14 0.31 4.51 0.00 0.11 -1.20 105.19 111.89 1kr5 n GLY 85 Ca -0.01 -0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.05 1kr5 n GLY 85 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kr5 h SER 86 N -0.60 0.00 0.00 1.61 4.64 -1.31 -3.41 113.55 114.48 1kr5 h SER 86 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1kr5 h SER 86 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1kr5 h SER 86 CO 0.18 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 1kr5 n GLY 87 N -1.12 2.15 0.28 -0.77 0.00 -1.26 0.87 105.19 105.34 1kr5 n GLY 87 Ca -0.03 0.43 0.15 0.00 0.00 0.00 0.00 46.02 46.57 1kr5 n GLY 87 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kr5 h SER 88 N 0.00 0.00 0.00 1.61 4.64 -1.89 -3.40 113.55 114.52 1kr5 h SER 88 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kr5 h SER 88 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1kr5 h SER 88 CO 0.00 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1kr5 n GLY 89 N -0.68 0.78 0.30 -0.77 0.00 0.25 -4.33 105.19 100.75 1kr5 n GLY 89 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 1kr5 n GLY 89 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1kr5 h ILE 90 N 0.00 1.15 0.00 -0.61 2.10 -1.89 -1.70 117.51 116.55 1kr5 h ILE 90 Ca 0.00 -0.41 -0.12 0.00 1.08 0.00 0.00 64.86 65.41 1kr5 h ILE 90 Cb 0.00 0.61 -0.02 0.00 -1.09 0.00 0.00 36.82 36.32 1kr5 h ILE 90 CO 0.00 0.17 -0.56 0.25 -1.08 0.00 0.00 178.15 176.92 1kr5 h LEU 91 N 0.58 0.00 -0.61 2.19 5.85 -1.92 -1.85 115.31 119.55 1kr5 h LEU 91 Ca 0.15 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1kr5 h LEU 91 Cb 0.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1kr5 h LEU 91 CO -0.02 0.56 0.06 0.74 -0.34 0.00 0.00 178.44 179.45 1kr5 h THR 92 N 0.00 1.26 -0.14 1.05 2.02 -1.66 0.56 112.91 116.00 1kr5 h THR 92 Ca -0.01 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 1kr5 h THR 92 Cb 1.25 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1kr5 h THR 92 CO 0.07 0.39 0.04 0.00 0.37 0.00 0.00 175.52 176.39 1kr5 h ALA 93 N 1.01 0.18 -0.38 6.16 0.00 -1.09 -0.96 119.26 124.18 1kr5 h ALA 93 Ca 0.18 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1kr5 h ALA 93 Cb 0.48 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1kr5 h ALA 93 CO 0.02 -0.20 0.14 0.00 0.00 0.00 0.00 179.25 179.21 1kr5 h PHE 95 N 0.30 0.21 -0.72 0.00 0.05 -0.72 0.13 116.94 116.18 1kr5 h PHE 95 Ca 0.17 0.02 0.04 0.00 3.82 0.00 0.00 57.97 62.03 1kr5 h PHE 95 Cb 0.15 -0.04 -0.05 0.00 2.00 0.00 0.00 35.95 38.02 1kr5 h PHE 95 CO -0.14 0.07 0.44 0.00 -0.18 0.00 0.00 178.31 178.50 1kr5 h ALA 96 N 1.26 0.96 0.00 2.45 0.00 -0.30 0.16 119.26 123.79 1kr5 h ALA 96 Ca 0.18 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1kr5 h ALA 96 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1kr5 h ALA 96 CO -0.20 0.20 -0.35 0.00 0.00 0.00 0.00 179.25 178.90 1kr5 h ARG 97 N 0.85 0.00 0.03 0.00 3.08 0.01 -2.65 114.38 115.71 1kr5 h ARG 97 Ca 0.30 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 1kr5 h ARG 97 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1kr5 h ARG 97 CO -0.13 0.35 -0.02 0.52 -1.07 0.00 0.00 179.97 179.62 1kr5 h MET 98 N 0.00 -0.04 0.00 0.04 2.86 0.11 -3.06 114.93 114.83 1kr5 h MET 98 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1kr5 h MET 98 Cb 0.68 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1kr5 h MET 98 CO 0.05 0.32 0.00 1.33 1.06 0.00 0.00 176.91 179.66 1kr5 n VAL 99 N -4.94 0.14 -3.57 -2.22 0.24 -0.23 -4.27 118.33 103.49 1kr5 n VAL 99 Ca -0.08 0.04 0.07 0.00 -2.04 0.00 0.00 64.34 62.32 1kr5 n VAL 99 Cb 0.20 -0.72 -0.02 0.00 -1.47 0.00 0.00 33.84 31.84 1kr5 n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kr5 n GLY 100 N 0.29 -1.38 0.45 7.63 0.00 -1.01 -0.40 105.19 110.78 1kr5 n GLY 100 Ca 0.13 -1.09 0.27 0.00 0.00 0.00 0.00 46.02 45.32 1kr5 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kr5 n THR 102 N -4.14 0.00 -2.47 0.00 -2.24 -1.25 -4.98 114.28 99.20 1kr5 n THR 102 Ca 0.16 -0.23 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 1kr5 n THR 102 Cb 0.90 1.12 0.06 0.00 -2.10 0.00 0.00 70.33 70.30 1kr5 n THR 102 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1kr5 s GLY 103 N -2.50 1.77 -0.00 3.38 0.00 -0.79 -4.35 107.32 104.84 1kr5 s GLY 103 Ca 0.19 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 43.71 1kr5 s GLY 103 CO 0.57 -0.87 -0.08 0.54 0.00 0.00 0.00 173.10 173.27 1kr5 s LYS 104 N -4.98 0.64 -0.03 2.90 -0.14 -0.71 -4.70 119.74 112.71 1kr5 s LYS 104 Ca 0.59 -0.33 0.02 0.00 -1.36 0.00 0.00 55.97 54.89 1kr5 s LYS 104 Cb -0.10 -0.60 0.01 0.00 -1.68 0.00 0.00 37.83 35.45 1kr5 s LYS 104 CO 0.41 0.16 -0.09 0.08 -0.76 0.00 0.00 175.35 175.16 1kr5 s VAL 105 N -0.29 0.79 -0.13 3.17 1.01 -0.26 -1.25 120.40 123.44 1kr5 s VAL 105 Ca 0.02 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1kr5 s VAL 105 Cb -0.04 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.62 1kr5 s VAL 105 CO -0.00 0.25 -0.17 -0.63 0.00 0.00 0.00 175.10 174.55 1kr5 s ILE 106 N 0.32 2.61 -0.10 2.22 -1.09 -0.10 -1.44 121.20 123.62 1kr5 s ILE 106 Ca -0.05 -0.81 0.03 0.00 -2.23 0.00 0.00 60.65 57.58 1kr5 s ILE 106 Cb -0.10 -2.07 -0.01 0.00 -1.58 0.00 0.00 42.46 38.70 1kr5 s ILE 106 CO 0.01 0.53 -0.19 -0.83 -1.23 0.00 0.00 174.94 173.23 1kr5 s GLY 107 N 0.54 1.43 0.00 6.18 0.00 0.12 0.03 107.32 115.63 1kr5 s GLY 107 Ca -0.11 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.69 1kr5 s GLY 107 CO 0.04 -0.37 -0.10 -1.50 0.00 0.00 0.00 173.10 171.17 1kr5 s ILE 108 N 0.14 0.79 -0.02 0.90 2.07 -0.60 -0.38 121.20 124.09 1kr5 s ILE 108 Ca -0.10 -0.51 -0.10 0.00 -1.41 0.00 0.00 60.65 58.54 1kr5 s ILE 108 Cb -0.16 -0.67 0.01 0.00 0.13 0.00 0.00 42.46 41.77 1kr5 s ILE 108 CO 0.06 0.16 0.21 -0.62 -1.91 0.00 0.00 174.94 172.84 1kr5 s ASP 109 N -0.39 -0.09 0.00 4.50 -1.08 -0.75 0.07 116.67 118.93 1kr5 s ASP 109 Ca 0.03 0.01 0.27 0.00 -0.52 0.00 0.00 52.55 52.34 1kr5 s ASP 109 Cb -0.04 0.29 1.21 0.00 -1.46 0.00 0.00 42.92 42.91 1kr5 s ASP 109 CO -0.00 -0.34 1.82 0.00 0.52 0.00 0.00 175.17 177.17 1kr5 n HIS 110 N 1.66 0.04 -3.61 -5.34 1.44 -1.10 -1.77 115.22 106.54 1kr5 n HIS 110 Ca -0.21 -0.02 -0.40 0.00 -2.01 0.00 0.00 57.72 55.08 1kr5 n HIS 110 Cb 0.56 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.57 1kr5 n HIS 110 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1kr5 s ILE 111 N -1.96 4.32 0.20 0.61 -1.09 -1.26 -4.73 121.20 117.28 1kr5 s ILE 111 Ca 0.39 -1.20 -0.14 0.00 -2.23 0.00 0.00 60.65 57.47 1kr5 s ILE 111 Cb 0.20 -3.55 0.18 0.00 -1.58 0.00 0.00 42.46 37.71 1kr5 s ILE 111 CO 0.32 -0.39 1.65 0.07 -1.23 0.00 0.00 174.94 175.36 1kr5 h LYS 112 N 8.41 0.04 0.00 2.79 2.10 -1.98 -0.67 116.57 127.26 1kr5 h LYS 112 Ca -0.24 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.40 1kr5 h LYS 112 Cb 1.09 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1kr5 h LYS 112 CO 0.72 0.03 -0.04 0.93 -2.00 0.00 0.00 179.45 179.08 1kr5 h GLU 113 N 0.04 0.00 -0.02 0.07 3.07 -1.98 -1.46 114.58 114.29 1kr5 h GLU 113 Ca 0.28 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.98 1kr5 h GLU 113 Cb 0.43 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1kr5 h GLU 113 CO -0.54 0.04 -0.60 -0.07 -1.40 0.00 0.00 179.01 176.44 1kr5 h LEU 114 N 0.00 0.56 -0.67 1.33 3.38 -1.53 -2.53 115.31 115.85 1kr5 h LEU 114 Ca -0.00 -0.73 0.07 0.00 0.09 0.00 0.00 57.88 57.31 1kr5 h LEU 114 Cb 0.07 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 1kr5 h LEU 114 CO 0.00 1.22 0.35 0.58 0.09 0.00 0.00 178.44 180.68 1kr5 h VAL 115 N -0.04 0.91 -0.57 1.22 2.07 -0.70 0.36 116.25 119.50 1kr5 h VAL 115 Ca -0.07 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1kr5 h VAL 115 Cb 1.29 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1kr5 h VAL 115 CO 0.12 0.11 0.37 0.44 0.02 0.00 0.00 177.57 178.63 1kr5 h ASP 116 N 0.62 0.64 -0.67 0.57 3.32 -1.28 0.10 116.42 119.71 1kr5 h ASP 116 Ca 0.31 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.28 1kr5 h ASP 116 Cb 0.26 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1kr5 h ASP 116 CO -0.22 0.46 0.13 0.44 -1.72 0.00 0.00 179.24 178.32 1kr5 h ASP 117 N 0.75 1.06 -0.66 6.45 3.32 -0.79 -1.41 116.42 125.14 1kr5 h ASP 117 Ca 0.21 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1kr5 h ASP 117 Cb -0.07 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.17 1kr5 h ASP 117 CO -0.06 1.04 0.43 0.77 -1.72 0.00 0.00 179.24 179.70 1kr5 h SER 118 N 1.04 0.76 -0.31 6.45 4.64 0.60 0.49 113.55 127.23 1kr5 h SER 118 Ca 0.21 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 1kr5 h SER 118 Cb 0.42 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1kr5 h SER 118 CO 0.01 0.56 0.02 0.58 -0.87 0.00 0.00 176.83 177.14 1kr5 h VAL 119 N 0.90 1.25 -0.57 0.95 2.07 -0.43 -1.40 116.25 119.02 1kr5 h VAL 119 Ca 0.24 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1kr5 h VAL 119 Cb -0.09 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1kr5 h VAL 119 CO -0.05 0.29 0.22 0.78 0.02 0.00 0.00 177.57 178.82 1kr5 h ASN 120 N 0.33 0.76 0.42 0.57 2.35 -0.11 -1.62 115.58 118.29 1kr5 h ASN 120 Ca 0.09 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1kr5 h ASN 120 Cb 0.39 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1kr5 h ASN 120 CO 0.01 0.69 -0.21 0.78 -1.65 0.00 0.00 177.43 177.06 1kr5 h ASN 121 N 0.82 -0.49 -0.65 5.81 2.35 0.22 -2.26 115.58 121.39 1kr5 h ASN 121 Ca 0.19 0.02 0.09 0.00 -0.55 0.00 0.00 56.30 56.05 1kr5 h ASN 121 Cb 0.18 0.13 -0.07 0.00 0.05 0.00 0.00 38.32 38.61 1kr5 h ASN 121 CO -0.02 -0.35 0.29 0.58 -1.65 0.00 0.00 177.43 176.28 1kr5 h VAL 122 N -0.57 0.82 -0.47 2.81 2.07 -0.94 -1.25 116.25 118.72 1kr5 h VAL 122 Ca -0.06 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1kr5 h VAL 122 Cb 0.44 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1kr5 h VAL 122 CO 0.09 0.09 0.16 -0.09 0.02 0.00 0.00 177.57 177.84 1kr5 h ARG 123 N 0.51 0.31 -0.31 1.57 2.43 -1.12 0.26 114.38 118.03 1kr5 h ARG 123 Ca 0.32 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.42 1kr5 h ARG 123 Cb 0.35 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1kr5 h ARG 123 CO -0.28 0.21 -0.01 0.87 -1.51 0.00 0.00 179.97 179.25 1kr5 h LYS 124 N 0.32 0.47 0.02 0.20 1.57 -0.77 -2.57 116.57 115.81 1kr5 h LYS 124 Ca 0.22 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1kr5 h LYS 124 Cb 0.23 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1kr5 h LYS 124 CO -0.24 0.51 -0.01 0.22 -0.57 0.00 0.00 179.45 179.36 1kr5 h ASP 125 N 0.45 -0.02 -1.82 0.86 1.82 -0.02 -3.45 116.42 114.23 1kr5 h ASP 125 Ca 0.10 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.57 1kr5 h ASP 125 Cb 0.31 0.01 -0.29 0.00 0.68 0.00 0.00 39.33 40.04 1kr5 h ASP 125 CO 0.01 -0.01 -0.50 -0.62 -1.61 0.00 0.00 179.24 176.51 1kr5 s ASP 126 N -2.48 0.31 0.53 2.28 -1.08 0.77 -5.03 116.67 111.97 1kr5 s ASP 126 Ca -0.00 -0.00 0.22 0.00 -0.52 0.00 0.00 52.55 52.24 1kr5 s ASP 126 Cb 0.00 1.11 1.39 0.00 -1.46 0.00 0.00 42.92 43.96 1kr5 s ASP 126 CO 0.01 -0.32 2.09 -0.65 0.52 0.00 0.00 175.17 176.82 1kr5 h PRO 127 N 8.17 0.00 0.00 4.34 0.11 -1.58 -2.15 132.00 140.89 1kr5 h PRO 127 Ca -0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 1kr5 h PRO 127 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1kr5 h PRO 127 CO 0.27 0.00 -0.06 1.15 -0.21 0.00 0.00 178.00 179.15 1kr5 h THR 128 N 0.00 0.60 -0.15 -1.15 2.02 -1.90 -2.13 112.91 110.19 1kr5 h THR 128 Ca 0.11 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 1kr5 h THR 128 Cb 0.44 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1kr5 h THR 128 CO -0.00 0.06 -0.07 -0.07 0.37 0.00 0.00 175.52 175.80 1kr5 h LEU 129 N 0.00 0.21 0.00 2.58 3.38 -1.74 -0.50 115.31 119.24 1kr5 h LEU 129 Ca -0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1kr5 h LEU 129 Cb 0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1kr5 h LEU 129 CO 0.01 0.32 -0.33 -0.07 0.09 0.00 0.00 178.44 178.45 1kr5 h LEU 130 N 0.22 0.00 -1.28 1.67 3.38 -1.57 0.22 115.31 117.95 1kr5 h LEU 130 Ca 0.05 -0.81 -0.04 0.00 0.09 0.00 0.00 57.88 57.17 1kr5 h LEU 130 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1kr5 h LEU 130 CO 0.01 1.10 -0.17 0.77 0.09 0.00 0.00 178.44 180.25 1kr5 h SER 131 N -1.00 0.00 1.87 -0.43 4.64 -1.50 -2.25 113.55 114.89 1kr5 h SER 131 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1kr5 h SER 131 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1kr5 h SER 131 CO -0.05 0.17 0.00 0.77 -0.87 0.00 0.00 176.83 176.84 1kr5 h SER 132 N 0.00 0.00 0.00 4.97 4.64 -1.24 -3.47 113.55 118.45 1kr5 h SER 132 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kr5 h SER 132 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1kr5 h SER 132 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1kr5 n GLY 133 N 1.11 0.75 0.26 -0.77 0.00 -0.85 -4.94 105.19 100.76 1kr5 n GLY 133 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1kr5 n GLY 133 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1kr5 h ARG 134 N 3.95 0.40 -6.20 1.61 3.08 -1.63 -3.43 114.38 112.17 1kr5 h ARG 134 Ca 0.00 -0.09 -0.69 0.00 0.07 0.00 0.00 59.98 59.27 1kr5 h ARG 134 Cb 0.00 -0.06 -0.30 0.00 0.08 0.00 0.00 29.97 29.70 1kr5 h ARG 134 CO 0.00 0.48 -0.87 0.08 -1.07 0.00 0.00 179.97 178.59 1kr5 s VAL 135 N -4.86 2.23 -0.06 2.04 1.01 0.00 -1.10 120.40 119.66 1kr5 s VAL 135 Ca -0.07 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1kr5 s VAL 135 Cb 0.15 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1kr5 s VAL 135 CO 0.75 0.57 0.01 -1.58 0.00 0.00 0.00 175.10 174.85 1kr5 s GLN 136 N -0.34 0.52 -0.26 2.72 0.74 -0.52 -4.62 119.66 117.89 1kr5 s GLN 136 Ca 0.02 0.13 -0.03 0.00 0.05 0.00 0.00 55.36 55.54 1kr5 s GLN 136 Cb -0.12 -0.89 0.02 0.00 1.10 0.00 0.00 33.01 33.12 1kr5 s GLN 136 CO 0.02 -0.29 -0.03 -0.51 -0.55 0.00 0.00 175.29 173.93 1kr5 s LEU 137 N 1.91 3.32 0.24 3.68 1.43 -1.26 0.15 118.68 128.16 1kr5 s LEU 137 Ca 0.04 -0.83 0.11 0.00 -1.03 0.00 0.00 54.13 52.42 1kr5 s LEU 137 Cb -0.12 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 1kr5 s LEU 137 CO -0.05 -0.14 -0.19 0.68 0.23 0.00 0.00 176.35 176.88 1kr5 s VAL 138 N 1.36 2.25 -0.14 -1.59 -7.23 0.49 -4.98 120.40 110.57 1kr5 s VAL 138 Ca 0.01 -2.29 -0.10 0.00 -1.81 0.00 0.00 61.98 57.79 1kr5 s VAL 138 Cb -0.17 -2.19 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 1kr5 s VAL 138 CO -0.03 -0.40 0.20 -0.69 -0.31 0.00 0.00 175.10 173.87 1kr5 s VAL 139 N -2.48 5.38 0.00 1.32 1.01 -1.26 -1.80 120.40 122.56 1kr5 s VAL 139 Ca 0.26 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1kr5 s VAL 139 Cb -0.04 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1kr5 s VAL 139 CO 0.12 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1kr5 n GLY 140 N 2.73 0.97 3.52 4.51 0.00 -0.73 -4.91 105.19 111.28 1kr5 n GLY 140 Ca -0.16 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1kr5 n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kr5 s ASP 141 N 0.00 6.23 0.61 1.61 -1.08 -1.26 -2.71 116.67 120.07 1kr5 s ASP 141 Ca 0.00 -0.79 0.27 0.00 -0.52 0.00 0.00 52.55 51.51 1kr5 s ASP 141 Cb 0.00 -2.52 1.46 0.00 -1.46 0.00 0.00 42.92 40.41 1kr5 s ASP 141 CO 0.00 -1.66 1.81 1.23 0.52 0.00 0.00 175.17 177.07 1kr5 h GLY 142 N 12.43 0.00 2.00 2.66 0.00 -1.89 0.42 103.07 118.70 1kr5 h GLY 142 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1kr5 h GLY 142 CO 1.26 0.00 0.00 3.21 0.00 0.00 0.00 176.54 181.01 1kr5 h ARG 143 N 0.00 0.00 -0.63 4.80 3.08 -1.95 0.38 114.38 120.05 1kr5 h ARG 143 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1kr5 h ARG 143 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1kr5 h ARG 143 CO 0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.57 1kr5 n MET 144 N -2.96 2.98 0.00 0.04 2.81 0.14 -4.59 117.12 115.55 1kr5 n MET 144 Ca -0.02 -2.61 0.00 0.00 -1.81 0.00 0.00 57.70 53.26 1kr5 n MET 144 Cb 0.11 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 1kr5 n MET 144 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kr5 n GLY 145 N 1.27 2.34 2.60 3.03 0.00 0.13 -4.34 105.19 110.22 1kr5 n GLY 145 Ca 0.22 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1kr5 n GLY 145 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1kr5 n TYR 146 N 10.32 -2.64 -0.33 1.61 9.36 -1.26 -4.66 117.16 129.56 1kr5 n TYR 146 Ca 0.00 -2.17 0.15 0.00 3.32 0.00 0.00 57.90 59.20 1kr5 n TYR 146 Cb 0.00 1.01 0.37 0.00 -0.63 0.00 0.00 39.34 40.09 1kr5 n TYR 146 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1kr5 h ALA 147 N 4.63 1.80 -0.50 2.98 0.00 -1.95 -1.06 119.26 125.16 1kr5 h ALA 147 Ca 0.03 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.15 1kr5 h ALA 147 Cb 1.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1kr5 h ALA 147 CO 0.25 -0.16 0.75 0.93 0.00 0.00 0.00 179.25 181.02 1kr5 h GLU 148 N 0.68 0.00 0.00 0.00 5.08 -1.96 0.17 114.58 118.55 1kr5 h GLU 148 Ca 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1kr5 h GLU 148 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1kr5 h GLU 148 CO -0.34 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.06 1kr5 n GLU 149 N -3.27 0.03 -1.21 2.33 -0.58 -0.44 -5.06 120.64 112.45 1kr5 n GLU 149 Ca 0.10 -0.65 -0.30 0.00 -0.42 0.00 0.00 57.16 55.90 1kr5 n GLU 149 Cb 0.93 -0.91 0.14 0.00 -0.57 0.00 0.00 31.44 31.03 1kr5 n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1kr5 s ALA 150 N -0.21 1.46 0.58 0.62 0.00 0.60 -4.72 121.76 120.09 1kr5 s ALA 150 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.77 1kr5 s ALA 150 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 1kr5 s ALA 150 CO 0.00 -2.42 0.91 -1.25 0.00 0.00 0.00 175.76 173.00 1kr5 s PRO 151 N -4.95 3.15 0.17 0.00 0.04 -1.26 -5.00 135.00 127.15 1kr5 s PRO 151 Ca 0.64 0.18 0.11 0.00 0.04 0.00 0.00 61.00 61.97 1kr5 s PRO 151 Cb -0.18 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1kr5 s PRO 151 CO 0.57 -0.59 -0.24 0.71 0.04 0.00 0.00 177.00 177.49 1kr5 s TYR 152 N -2.99 2.19 -0.07 0.56 1.51 0.12 -4.75 117.35 113.92 1kr5 s TYR 152 Ca 0.53 -0.38 0.13 0.00 -1.01 0.00 0.00 57.07 56.33 1kr5 s TYR 152 Cb -0.11 -1.12 -0.06 0.00 -0.11 0.00 0.00 41.96 40.57 1kr5 s TYR 152 CO 0.47 0.42 1.25 -0.44 -1.11 0.00 0.00 175.55 176.14 1kr5 h ASP 153 N 3.42 0.00 -3.62 2.29 5.19 -0.91 0.71 116.42 123.50 1kr5 h ASP 153 Ca -0.47 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.74 1kr5 h ASP 153 Cb 1.20 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 40.42 1kr5 h ASP 153 CO 0.46 0.67 -0.55 0.00 -3.12 0.00 0.00 179.24 176.70 1kr5 s ALA 154 N -2.87 -0.37 -0.05 3.45 0.00 -1.11 -1.52 121.76 119.30 1kr5 s ALA 154 Ca 0.02 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1kr5 s ALA 154 Cb 0.08 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1kr5 s ALA 154 CO 0.78 -0.12 -0.02 0.42 0.00 0.00 0.00 175.76 176.82 1kr5 s ILE 155 N 0.58 0.43 -0.04 0.00 1.01 -0.46 -1.08 121.20 121.64 1kr5 s ILE 155 Ca -0.04 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.63 1kr5 s ILE 155 Cb -0.06 -0.51 -0.00 0.00 0.01 0.00 0.00 42.46 41.91 1kr5 s ILE 155 CO -0.03 0.22 -0.15 -2.28 0.00 0.00 0.00 174.94 172.70 1kr5 s HIS 156 N 1.23 1.53 -0.24 3.97 5.65 -0.19 -1.11 115.29 126.14 1kr5 s HIS 156 Ca -0.06 -0.43 0.01 0.00 0.25 0.00 0.00 55.06 54.83 1kr5 s HIS 156 Cb -0.14 -1.04 0.04 0.00 -1.18 0.00 0.00 32.58 30.26 1kr5 s HIS 156 CO -0.02 -0.15 -0.12 0.08 -0.65 0.00 0.00 174.74 173.89 1kr5 s VAL 157 N 0.07 2.34 -0.32 0.89 1.01 -0.37 0.12 120.40 124.14 1kr5 s VAL 157 Ca -0.03 -1.28 0.03 0.00 0.00 0.00 0.00 61.98 60.69 1kr5 s VAL 157 Cb -0.11 -2.22 0.29 0.00 0.00 0.00 0.00 36.38 34.34 1kr5 s VAL 157 CO 0.02 0.18 1.27 0.61 0.00 0.00 0.00 175.10 177.18 1kr5 n GLY 158 N 4.55 2.75 3.04 4.51 0.00 -0.34 -4.26 105.19 115.45 1kr5 n GLY 158 Ca -0.17 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 1kr5 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kr5 s ALA 159 N -1.43 -0.23 0.04 4.61 0.00 -1.26 -4.54 121.76 118.95 1kr5 s ALA 159 Ca 0.23 -0.05 -0.26 0.00 0.00 0.00 0.00 51.96 51.88 1kr5 s ALA 159 Cb 0.19 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 1kr5 s ALA 159 CO 0.05 -0.14 0.81 0.00 0.00 0.00 0.00 175.76 176.48 1kr5 s ALA 160 N -0.88 3.32 -0.01 0.00 0.00 -0.35 -4.01 121.76 119.84 1kr5 s ALA 160 Ca -0.10 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1kr5 s ALA 160 Cb -0.06 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 1kr5 s ALA 160 CO 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 175.76 175.71 1kr5 s ALA 161 N 0.14 3.05 0.08 0.00 0.00 0.13 0.13 121.76 125.29 1kr5 s ALA 161 Ca 0.41 -0.98 -0.21 0.00 0.00 0.00 0.00 51.96 51.18 1kr5 s ALA 161 Cb -0.21 -1.19 -0.11 0.00 0.00 0.00 0.00 23.12 21.62 1kr5 s ALA 161 CO 0.24 0.61 1.59 -1.00 0.00 0.00 0.00 175.76 177.20 1kr5 h PRO 162 N 4.66 0.23 -5.35 0.00 0.13 -1.84 0.12 132.00 129.94 1kr5 h PRO 162 Ca -0.49 -0.05 -0.47 0.00 -0.87 0.00 0.00 66.00 64.13 1kr5 h PRO 162 Cb 1.17 -0.03 -0.26 0.00 0.13 0.00 0.00 31.00 32.00 1kr5 h PRO 162 CO 0.54 0.35 -0.80 0.14 -0.23 0.00 0.00 178.00 178.00 1kr5 s VAL 163 N -5.42 1.14 0.10 1.56 -7.23 -1.26 -4.22 120.40 105.08 1kr5 s VAL 163 Ca -0.14 -0.87 -0.32 0.00 -1.81 0.00 0.00 61.98 58.85 1kr5 s VAL 163 Cb 0.06 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.89 1kr5 s VAL 163 CO 0.70 0.13 1.80 0.52 -0.31 0.00 0.00 175.10 177.94 1kr5 n VAL 164 N 2.20 0.33 -2.15 1.32 0.31 -1.26 -4.89 118.33 114.18 1kr5 n VAL 164 Ca -0.17 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 1kr5 n VAL 164 Cb 0.55 -1.99 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 1kr5 n VAL 164 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1kr5 s PRO 165 N 2.58 4.22 0.33 5.55 0.02 -1.26 -4.89 135.00 141.55 1kr5 s PRO 165 Ca 0.83 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.88 1kr5 s PRO 165 Cb -0.54 -3.79 0.58 0.00 0.02 0.00 0.00 34.50 30.77 1kr5 s PRO 165 CO 0.39 -0.73 2.00 0.37 -0.33 0.00 0.00 177.00 178.70 1kr5 h GLN 166 N 8.65 0.91 -0.84 5.54 5.75 -1.90 -2.60 115.11 130.63 1kr5 h GLN 166 Ca -0.37 -0.06 0.13 0.00 -0.15 0.00 0.00 58.65 58.21 1kr5 h GLN 166 Cb 1.16 -0.21 -0.09 0.00 1.07 0.00 0.00 27.48 29.42 1kr5 h GLN 166 CO 0.94 0.60 0.44 0.00 -2.65 0.00 0.00 178.83 178.16 1kr5 h ALA 167 N 1.57 1.25 -0.61 3.38 0.00 -1.90 0.59 119.26 123.54 1kr5 h ALA 167 Ca 0.25 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1kr5 h ALA 167 Cb -0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1kr5 h ALA 167 CO -0.05 -0.05 0.16 -0.07 0.00 0.00 0.00 179.25 179.24 1kr5 h LEU 168 N 0.66 0.87 -0.13 0.00 3.38 -1.71 -0.54 115.31 117.84 1kr5 h LEU 168 Ca 0.44 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1kr5 h LEU 168 Cb 0.58 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1kr5 h LEU 168 CO -0.33 0.84 -0.01 0.40 0.09 0.00 0.00 178.44 179.42 1kr5 h ILE 169 N 0.90 1.26 0.00 1.22 2.04 -1.12 -2.72 117.51 119.09 1kr5 h ILE 169 Ca 0.20 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1kr5 h ILE 169 Cb 0.30 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1kr5 h ILE 169 CO -0.00 0.25 -0.05 0.44 0.00 0.00 0.00 178.15 178.79 1kr5 h ASP 170 N -0.04 0.00 -0.34 1.72 3.32 -0.64 -2.30 116.42 118.13 1kr5 h ASP 170 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1kr5 h ASP 170 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1kr5 h ASP 170 CO 0.01 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 1kr5 n GLN 171 N -3.57 1.81 -3.38 3.56 6.02 -0.24 -4.89 117.38 116.69 1kr5 n GLN 171 Ca -0.02 -1.22 -0.35 0.00 -0.01 0.00 0.00 57.00 55.39 1kr5 n GLN 171 Cb 0.15 -1.28 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 1kr5 n GLN 171 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1kr5 s LEU 172 N -1.01 4.34 0.48 1.08 1.43 -0.87 0.14 118.68 124.28 1kr5 s LEU 172 Ca 0.23 1.05 -0.07 0.00 -1.03 0.00 0.00 54.13 54.31 1kr5 s LEU 172 Cb 0.12 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 1kr5 s LEU 172 CO 0.15 0.11 0.81 -0.54 0.23 0.00 0.00 176.35 177.12 1kr5 s LYS 173 N -1.94 3.59 0.33 1.70 1.02 0.24 -4.67 119.74 120.02 1kr5 s LYS 173 Ca 0.37 0.32 -0.29 0.00 0.02 0.00 0.00 55.97 56.39 1kr5 s LYS 173 Cb -0.15 -2.34 -0.11 0.00 -0.52 0.00 0.00 37.83 34.71 1kr5 s LYS 173 CO 0.19 -0.22 1.55 -2.14 -0.92 0.00 0.00 175.35 173.81 1kr5 s PRO 174 N -4.63 4.11 0.00 -1.68 0.02 -1.26 -0.04 135.00 131.52 1kr5 s PRO 174 Ca 0.49 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.10 1kr5 s PRO 174 Cb -0.10 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1kr5 s PRO 174 CO 0.43 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 1kr5 n GLY 175 N 1.41 0.83 3.88 0.52 0.00 0.19 -4.86 105.19 107.17 1kr5 n GLY 175 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1kr5 n GLY 175 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kr5 s GLY 176 N -1.77 1.63 -0.02 -0.02 0.00 0.94 -4.81 107.32 103.26 1kr5 s GLY 176 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 44.72 44.44 1kr5 s GLY 176 CO 0.00 0.01 -0.09 -1.60 0.00 0.00 0.00 173.10 171.42 1kr5 s ARG 177 N -5.23 0.94 -0.10 2.90 3.52 -0.57 -1.62 118.95 118.79 1kr5 s ARG 177 Ca 0.56 -0.30 0.03 0.00 -0.13 0.00 0.00 55.73 55.88 1kr5 s ARG 177 Cb -0.11 -0.88 -0.01 0.00 -1.56 0.00 0.00 34.95 32.39 1kr5 s ARG 177 CO 0.51 0.12 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.76 1kr5 s LEU 178 N 0.18 2.38 -0.09 -0.88 2.96 0.77 -1.36 118.68 122.63 1kr5 s LEU 178 Ca -0.03 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1kr5 s LEU 178 Cb -0.08 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.13 1kr5 s LEU 178 CO 0.00 0.19 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.44 1kr5 s ILE 179 N 0.20 1.43 -0.06 6.68 -1.09 -0.27 -0.58 121.20 127.51 1kr5 s ILE 179 Ca -0.12 -0.62 -0.30 0.00 -2.23 0.00 0.00 60.65 57.38 1kr5 s ILE 179 Cb -0.16 -1.30 0.09 0.00 -1.58 0.00 0.00 42.46 39.51 1kr5 s ILE 179 CO 0.06 0.42 0.76 -1.48 -1.23 0.00 0.00 174.94 173.48 1kr5 s LEU 180 N 0.81 -0.57 0.16 2.97 2.34 -1.01 -1.24 118.68 122.14 1kr5 s LEU 180 Ca -0.11 0.56 -0.29 0.00 0.06 0.00 0.00 54.13 54.36 1kr5 s LEU 180 Cb -0.16 2.36 -0.07 0.00 -0.56 0.00 0.00 46.19 47.76 1kr5 s LEU 180 CO 0.01 -0.57 0.90 -2.84 -1.06 0.00 0.00 176.35 172.79 1kr5 s PRO 181 N -1.42 4.71 -0.21 1.48 0.02 -1.26 -1.40 135.00 136.92 1kr5 s PRO 181 Ca -0.07 1.37 0.01 0.00 0.02 0.00 0.00 61.00 62.33 1kr5 s PRO 181 Cb -0.00 -3.32 0.05 0.00 0.02 0.00 0.00 34.50 31.24 1kr5 s PRO 181 CO 0.06 0.39 -0.10 0.08 -0.33 0.00 0.00 177.00 177.10 1kr5 s VAL 182 N -0.63 1.74 -1.32 3.83 1.01 0.11 0.18 120.40 125.32 1kr5 s VAL 182 Ca 0.42 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1kr5 s VAL 182 Cb -0.24 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1kr5 s VAL 182 CO 0.29 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1kr5 n GLY 183 N 4.64 -1.19 3.91 4.51 0.00 0.41 -0.73 105.19 116.73 1kr5 n GLY 183 Ca -0.15 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 1kr5 n GLY 183 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1kr5 s PRO 184 N -0.53 3.49 -0.36 1.61 0.02 -1.26 -3.24 135.00 134.73 1kr5 s PRO 184 Ca 0.00 0.14 -0.28 0.00 0.02 0.00 0.00 61.00 60.88 1kr5 s PRO 184 Cb 0.00 -2.39 -0.01 0.00 0.02 0.00 0.00 34.50 32.12 1kr5 s PRO 184 CO 0.00 -0.21 1.68 0.00 -0.33 0.00 0.00 177.00 178.14 1kr5 s ALA 185 N -2.73 2.90 -0.10 -1.55 0.00 -1.26 -1.82 121.76 117.20 1kr5 s ALA 185 Ca 0.47 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1kr5 s ALA 185 Cb -0.10 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.02 1kr5 s ALA 185 CO 0.44 -2.60 0.00 0.41 0.00 0.00 0.00 175.76 174.01 1kr5 n GLY 186 N 5.33 0.35 3.60 0.00 0.00 -1.26 -5.05 105.19 108.16 1kr5 n GLY 186 Ca 0.21 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 1kr5 n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kr5 s GLY 187 N -2.96 2.55 -0.66 -0.02 0.00 -0.76 -5.08 107.32 100.39 1kr5 s GLY 187 Ca 0.00 -1.66 -0.27 0.00 0.00 0.00 0.00 44.72 42.79 1kr5 s GLY 187 CO 0.00 -2.03 1.32 0.54 0.00 0.00 0.00 173.10 172.93 1kr5 s ASN 188 N -3.69 6.17 0.25 1.64 4.22 -1.26 -4.65 114.94 117.63 1kr5 s ASN 188 Ca 0.27 -0.14 -0.07 0.00 -2.14 0.00 0.00 52.86 50.78 1kr5 s ASN 188 Cb 0.07 -2.55 -0.06 0.00 1.28 0.00 0.00 41.25 39.98 1kr5 s ASN 188 CO 0.13 -1.76 0.53 -1.10 -2.04 0.00 0.00 177.10 172.87 1kr5 s GLN 189 N 5.58 3.71 -0.21 3.55 -0.21 -1.09 -4.73 119.66 126.26 1kr5 s GLN 189 Ca 0.42 0.12 -0.06 0.00 0.02 0.00 0.00 55.36 55.85 1kr5 s GLN 189 Cb -0.09 -2.67 -0.03 0.00 1.00 0.00 0.00 33.01 31.23 1kr5 s GLN 189 CO 0.20 0.28 0.04 1.41 -2.12 0.00 0.00 175.29 175.10 1kr5 s MET 190 N -3.14 3.70 -0.25 2.91 -2.45 0.09 0.65 119.30 120.81 1kr5 s MET 190 Ca 0.45 -0.47 -0.29 0.00 -1.25 0.00 0.00 55.69 54.13 1kr5 s MET 190 Cb -0.11 -3.19 -0.00 0.00 1.25 0.00 0.00 34.83 32.78 1kr5 s MET 190 CO 0.26 -0.01 1.31 -1.17 1.05 0.00 0.00 175.02 176.46 1kr5 s LEU 191 N 1.09 3.98 0.15 4.11 2.96 0.68 -0.71 118.68 130.93 1kr5 s LEU 191 Ca 0.03 1.38 0.08 0.00 -0.22 0.00 0.00 54.13 55.40 1kr5 s LEU 191 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1kr5 s LEU 191 CO 0.02 -0.99 -0.10 -1.61 -1.32 0.00 0.00 176.35 172.36 1kr5 s GLU 192 N 3.99 2.09 -0.14 1.98 2.02 -0.49 0.14 118.70 128.28 1kr5 s GLU 192 Ca 0.57 -1.16 0.02 0.00 0.02 0.00 0.00 54.97 54.41 1kr5 s GLU 192 Cb -0.19 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 31.82 1kr5 s GLU 192 CO 0.21 0.46 -0.19 -1.14 0.02 0.00 0.00 175.26 174.62 1kr5 s GLN 193 N -2.57 3.12 -0.14 1.61 0.74 0.22 -2.42 119.66 120.22 1kr5 s GLN 193 Ca 0.23 -0.81 0.03 0.00 0.05 0.00 0.00 55.36 54.86 1kr5 s GLN 193 Cb -0.10 -2.51 0.01 0.00 1.10 0.00 0.00 33.01 31.51 1kr5 s GLN 193 CO 0.15 0.03 -0.22 0.71 -0.55 0.00 0.00 175.29 175.41 1kr5 s TYR 194 N 0.74 2.66 -0.05 1.67 1.51 0.25 0.54 117.35 124.66 1kr5 s TYR 194 Ca -0.08 -1.31 0.05 0.00 -1.01 0.00 0.00 57.07 54.72 1kr5 s TYR 194 Cb -0.16 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1kr5 s TYR 194 CO 0.01 -0.59 -0.19 -0.51 -1.11 0.00 0.00 175.55 173.15 1kr5 s ASP 195 N 0.76 3.58 -0.23 2.29 1.01 -0.15 -0.16 116.67 123.76 1kr5 s ASP 195 Ca -0.08 -0.34 -0.10 0.00 0.71 0.00 0.00 52.55 52.74 1kr5 s ASP 195 Cb -0.16 -0.78 -0.05 0.00 1.01 0.00 0.00 42.92 42.95 1kr5 s ASP 195 CO -0.01 0.30 0.14 -0.75 0.21 0.00 0.00 175.17 175.06 1kr5 s LYS 196 N -0.49 4.03 0.60 8.23 2.20 -0.64 -1.40 119.74 132.27 1kr5 s LYS 196 Ca 0.06 -0.29 -0.07 0.00 -0.36 0.00 0.00 55.97 55.31 1kr5 s LYS 196 Cb -0.12 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1kr5 s LYS 196 CO 0.01 0.08 0.92 -0.51 -0.36 0.00 0.00 175.35 175.50 1kr5 s LEU 197 N 0.97 3.21 0.46 5.43 2.01 0.14 0.53 118.68 131.45 1kr5 s LEU 197 Ca 0.07 0.81 0.13 0.00 0.01 0.00 0.00 54.13 55.14 1kr5 s LEU 197 Cb -0.13 -3.64 1.08 0.00 0.01 0.00 0.00 46.19 43.50 1kr5 s LEU 197 CO 0.04 -1.06 2.08 -0.61 1.01 0.00 0.00 176.35 177.80 1kr5 h GLN 198 N -0.22 0.27 -1.00 1.70 5.75 -1.89 0.79 115.11 120.52 1kr5 h GLN 198 Ca -0.45 -0.02 0.24 0.00 -0.15 0.00 0.00 58.65 58.27 1kr5 h GLN 198 Cb 1.25 -0.06 -0.09 0.00 1.07 0.00 0.00 27.48 29.65 1kr5 h GLN 198 CO 0.61 0.18 0.64 0.22 -2.65 0.00 0.00 178.83 177.84 1kr5 h ASP 199 N 0.28 0.47 0.00 -0.69 1.82 -2.00 -3.45 116.42 112.85 1kr5 h ASP 199 Ca 0.12 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1kr5 h ASP 199 Cb 0.14 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.14 1kr5 h ASP 199 CO -0.02 0.13 0.00 0.61 -1.61 0.00 0.00 179.24 178.35 1kr5 n GLY 200 N -1.47 0.37 3.82 -0.78 0.00 0.28 -5.08 105.19 102.32 1kr5 n GLY 200 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1kr5 n GLY 200 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kr5 s SER 201 N -2.00 5.15 -0.09 1.61 1.04 -1.26 -4.68 113.70 113.48 1kr5 s SER 201 Ca 0.00 1.46 0.04 0.00 0.48 0.00 0.00 55.95 57.93 1kr5 s SER 201 Cb 0.00 -2.29 -0.01 0.00 0.10 0.00 0.00 66.02 63.82 1kr5 s SER 201 CO 0.00 -1.57 -0.22 -0.63 0.98 0.00 0.00 173.24 171.80 1kr5 s ILE 202 N -3.12 2.31 -0.03 -1.02 1.09 -1.26 -0.68 121.20 118.49 1kr5 s ILE 202 Ca 0.59 -0.95 0.05 0.00 -1.10 0.00 0.00 60.65 59.23 1kr5 s ILE 202 Cb -0.14 -1.88 -0.01 0.00 -1.06 0.00 0.00 42.46 39.37 1kr5 s ILE 202 CO 0.54 0.56 -0.17 -1.59 -0.10 0.00 0.00 174.94 174.19 1kr5 s LYS 203 N 0.07 1.65 0.16 2.79 -2.85 -0.49 -4.98 119.74 116.09 1kr5 s LYS 203 Ca -0.09 -0.60 0.06 0.00 -1.00 0.00 0.00 55.97 54.34 1kr5 s LYS 203 Cb -0.15 -1.47 -0.04 0.00 -2.06 0.00 0.00 37.83 34.10 1kr5 s LYS 203 CO 0.06 0.27 0.07 0.00 0.10 0.00 0.00 175.35 175.85 1kr5 s MET 204 N -0.07 2.67 -0.17 1.78 0.23 -1.26 -0.98 119.30 121.49 1kr5 s MET 204 Ca -0.01 -0.97 -0.04 0.00 -1.03 0.00 0.00 55.69 53.64 1kr5 s MET 204 Cb -0.10 -2.52 0.09 0.00 -1.53 0.00 0.00 34.83 30.77 1kr5 s MET 204 CO 0.01 0.48 0.27 0.21 -2.03 0.00 0.00 175.02 173.96 1kr5 s LYS 205 N -2.98 0.20 0.24 3.16 2.20 0.19 -4.97 119.74 117.78 1kr5 s LYS 205 Ca 0.29 0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 56.14 1kr5 s LYS 205 Cb -0.10 -0.50 -0.10 0.00 -1.51 0.00 0.00 37.83 35.63 1kr5 s LYS 205 CO 0.21 -0.47 1.35 -1.25 -0.36 0.00 0.00 175.35 174.83 1kr5 s PRO 206 N 2.41 4.35 0.00 4.03 0.04 -1.26 -0.61 135.00 143.95 1kr5 s PRO 206 Ca 0.05 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1kr5 s PRO 206 Cb -0.14 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1kr5 s PRO 206 CO -0.11 -0.28 0.00 1.28 0.04 0.00 0.00 177.00 177.93 1kr5 n LEU 207 N 2.13 0.00 -3.71 -3.56 4.77 0.12 -4.91 117.00 111.84 1kr5 n LEU 207 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 1kr5 n LEU 207 Cb 0.42 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1kr5 n LEU 207 CO 0.59 -0.43 0.09 -0.04 -1.33 0.00 0.00 177.39 176.28 1kr5 s MET 208 N -0.85 0.80 0.57 3.23 -1.94 -1.20 -4.97 119.30 114.94 1kr5 s MET 208 Ca 0.00 -0.28 -0.19 0.00 -1.71 0.00 0.00 55.69 53.51 1kr5 s MET 208 Cb 0.00 0.36 -0.05 0.00 2.01 0.00 0.00 34.83 37.15 1kr5 s MET 208 CO 0.00 -0.25 1.15 0.20 -0.01 0.00 0.00 175.02 176.11 1kr5 s GLY 209 N -1.68 2.61 0.27 -0.03 0.00 -1.26 -0.23 107.32 107.00 1kr5 s GLY 209 Ca -0.09 0.85 -0.13 0.00 0.00 0.00 0.00 44.72 45.34 1kr5 s GLY 209 CO 0.01 1.21 0.53 -1.34 0.00 0.00 0.00 173.10 173.51 1kr5 s VAL 210 N -1.78 0.00 -0.16 1.40 -7.23 0.21 -4.78 120.40 108.05 1kr5 s VAL 210 Ca 0.73 -1.34 0.01 0.00 -1.81 0.00 0.00 61.98 59.57 1kr5 s VAL 210 Cb -0.25 -2.25 0.02 0.00 0.56 0.00 0.00 36.38 34.46 1kr5 s VAL 210 CO 0.30 0.00 -0.18 -0.51 -0.31 0.00 0.00 175.10 174.40 1kr5 s ILE 211 N -3.83 1.84 0.05 -0.62 2.07 -1.26 -2.67 121.20 116.78 1kr5 s ILE 211 Ca 0.21 -0.81 -0.04 0.00 -1.41 0.00 0.00 60.65 58.60 1kr5 s ILE 211 Cb -0.02 -1.68 -0.02 0.00 0.13 0.00 0.00 42.46 40.87 1kr5 s ILE 211 CO 0.10 0.50 0.06 -0.31 -1.91 0.00 0.00 174.94 173.38 1kr5 s TYR 212 N 1.32 0.32 0.11 3.50 1.51 -1.26 -5.08 117.35 117.76 1kr5 s TYR 212 Ca 0.04 -0.75 -0.31 0.00 -1.01 0.00 0.00 57.07 55.04 1kr5 s TYR 212 Cb -0.13 -0.22 -0.07 0.00 -0.11 0.00 0.00 41.96 41.42 1kr5 s TYR 212 CO -0.11 -0.40 1.29 0.08 -1.11 0.00 0.00 175.55 175.30 1kr5 s VAL 213 N -3.33 3.61 0.75 0.71 1.01 -1.26 -4.61 120.40 117.28 1kr5 s VAL 213 Ca 0.01 1.19 -0.15 0.00 0.00 0.00 0.00 61.98 63.03 1kr5 s VAL 213 Cb 0.03 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1kr5 s VAL 213 CO -0.08 0.11 1.00 -2.65 0.00 0.00 0.00 175.10 173.48 1kr5 n PRO 214 N 3.65 0.40 -3.47 2.72 -0.02 -1.26 -1.21 135.00 135.81 1kr5 n PRO 214 Ca 0.09 0.20 -0.43 0.00 -2.02 0.00 0.00 63.50 61.34 1kr5 n PRO 214 Cb 0.44 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 1kr5 n PRO 214 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1kr5 s LEU 215 N -3.64 6.17 0.00 2.45 2.96 0.35 -4.53 118.68 122.44 1kr5 s LEU 215 Ca 0.73 -2.91 0.00 0.00 -0.22 0.00 0.00 54.13 51.72 1kr5 s LEU 215 Cb -0.33 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.29 1kr5 s LEU 215 CO 0.51 -0.45 0.00 1.07 -1.32 0.00 0.00 176.35 176.16 1kr5 n THR 216 N 3.57 0.00 -2.63 3.68 5.66 -1.26 -4.74 114.28 118.55 1kr5 n THR 216 Ca 0.14 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.78 1kr5 n THR 216 Cb 0.43 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.16 1kr5 n THR 216 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1kr5 s ASP 217 N 0.72 6.79 0.23 1.09 1.11 -1.26 -4.97 116.67 120.38 1kr5 s ASP 217 Ca 0.00 1.92 -0.08 0.00 0.18 0.00 0.00 52.55 54.56 1kr5 s ASP 217 Cb 0.00 -2.57 0.21 0.00 1.07 0.00 0.00 42.92 41.63 1kr5 s ASP 217 CO 0.00 -0.47 1.90 0.07 1.18 0.00 0.00 175.17 177.85 1kr5 h LYS 218 N 2.27 1.12 -1.00 8.23 2.10 -1.91 -2.45 116.57 124.94 1kr5 h LYS 218 Ca -0.48 -0.07 0.18 0.00 -2.00 0.00 0.00 60.65 58.28 1kr5 h LYS 218 Cb 1.21 -0.25 -0.10 0.00 -0.90 0.00 0.00 32.23 32.18 1kr5 h LYS 218 CO 0.62 0.74 0.61 0.93 -2.00 0.00 0.00 179.45 180.34 1kr5 h GLU 219 N 1.15 0.77 0.00 0.07 4.39 -1.94 0.50 114.58 119.52 1kr5 h GLU 219 Ca 0.32 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.95 1kr5 h GLU 219 Cb -0.11 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.36 1kr5 h GLU 219 CO -0.08 0.51 -0.12 0.87 -1.16 0.00 0.00 179.01 179.03 1kr5 h LYS 220 N 0.79 0.00 0.02 2.33 1.79 -1.83 -3.29 116.57 116.38 1kr5 h LYS 220 Ca 0.57 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.65 1kr5 h LYS 220 Cb 0.84 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.43 1kr5 h LYS 220 CO -0.37 0.12 -2.39 0.94 -1.08 0.00 0.00 179.45 176.68 1kr5 n GLN 221 N -3.32 0.67 -3.65 3.15 7.27 0.81 -5.01 117.38 117.30 1kr5 n GLN 221 Ca -0.00 0.17 -0.07 0.00 0.07 0.00 0.00 57.00 57.17 1kr5 n GLN 221 Cb 0.34 -1.55 -0.08 0.00 2.41 0.00 0.00 30.24 31.36 1kr5 n GLN 221 CO 0.00 0.00 0.00 -0.46 0.07 0.00 0.00 177.06 176.67 1kr5 s TRP 222 N -2.53 -0.98 0.00 3.69 -0.11 0.14 -4.62 118.94 114.53 1kr5 s TRP 222 Ca -0.33 1.94 0.00 0.00 1.22 0.00 0.00 56.10 58.94 1kr5 s TRP 222 Cb 0.09 0.56 0.00 0.00 -1.50 0.00 0.00 33.47 32.62 1kr5 s TRP 222 CO 0.63 -0.50 0.00 0.43 -4.62 0.00 0.00 176.95 172.89 1kr5 n SER 223 N 4.45 0.00 0.00 5.86 7.64 -1.26 -4.19 113.62 126.12 1kr5 n SER 223 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1kr5 n SER 223 Cb 0.57 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1kr5 n SER 223 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89