#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kr3 n VAL 22 N 0.00 2.48 -4.45 0.44 0.31 -0.59 -4.69 118.33 111.84 1kr3 n VAL 22 Ca 0.00 -0.28 -0.34 0.00 -0.01 0.00 0.00 64.34 63.70 1kr3 n VAL 22 Cb 0.00 -1.18 -0.10 0.00 -0.91 0.00 0.00 33.84 31.65 1kr3 n VAL 22 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1kr3 s LYS 23 N -3.80 3.02 0.00 5.55 1.02 -1.26 -0.12 119.74 124.15 1kr3 s LYS 23 Ca 0.74 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.27 1kr3 s LYS 23 Cb -0.31 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1kr3 s LYS 23 CO 0.50 0.63 0.21 0.44 -0.92 0.00 0.00 175.35 176.20 1kr3 n ILE 24 N 2.36 0.00 -3.81 2.17 -5.35 0.28 -4.94 119.36 110.07 1kr3 n ILE 24 Ca -0.18 -0.46 -0.09 0.00 -0.27 0.00 0.00 62.75 61.75 1kr3 n ILE 24 Cb 0.53 1.04 0.03 0.00 -1.74 0.00 0.00 39.64 39.50 1kr3 n ILE 24 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1kr3 s SER 25 N -0.50 0.06 0.46 7.28 0.15 -1.12 -4.95 113.70 115.07 1kr3 s SER 25 Ca 0.00 -1.21 0.25 0.00 0.70 0.00 0.00 55.95 55.69 1kr3 s SER 25 Cb 0.00 0.86 0.58 0.00 -1.71 0.00 0.00 66.02 65.75 1kr3 s SER 25 CO 0.00 -1.71 1.70 -0.78 1.20 0.00 0.00 173.24 173.64 1kr3 h ASP 26 N 2.00 0.00 0.00 5.45 1.82 -2.03 -3.29 116.42 120.38 1kr3 h ASP 26 Ca -0.33 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 1kr3 h ASP 26 Cb 1.25 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.26 1kr3 h ASP 26 CO 0.42 0.02 0.00 -0.90 -1.61 0.00 0.00 179.24 177.17 1kr3 n ASP 27 N -3.11 1.54 -3.90 2.28 3.85 -1.26 -4.99 116.55 110.97 1kr3 n ASP 27 Ca 0.03 -1.66 -0.27 0.00 -0.71 0.00 0.00 54.79 52.18 1kr3 n ASP 27 Cb 0.48 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 40.08 1kr3 n ASP 27 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1kr3 s ILE 28 N -0.66 1.01 0.05 2.12 1.01 -1.24 -0.66 121.20 122.82 1kr3 s ILE 28 Ca 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.40 1kr3 s ILE 28 Cb 0.00 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1kr3 s ILE 28 CO 0.00 0.35 -0.06 -0.44 0.00 0.00 0.00 174.94 174.79 1kr3 s SER 29 N 1.72 4.68 0.05 3.58 0.01 0.35 -0.56 113.70 123.53 1kr3 s SER 29 Ca 0.05 -0.21 0.05 0.00 1.31 0.00 0.00 55.95 57.15 1kr3 s SER 29 Cb -0.13 -1.05 -0.02 0.00 0.21 0.00 0.00 66.02 65.03 1kr3 s SER 29 CO -0.08 0.23 -0.16 -0.63 0.41 0.00 0.00 173.24 173.01 1kr3 s ILE 30 N -1.14 1.24 0.03 1.44 1.09 0.83 -0.21 121.20 124.48 1kr3 s ILE 30 Ca 0.20 -1.11 0.01 0.00 -1.10 0.00 0.00 60.65 58.66 1kr3 s ILE 30 Cb -0.11 -1.12 -0.02 0.00 -1.06 0.00 0.00 42.46 40.15 1kr3 s ILE 30 CO 0.12 -0.00 -0.06 -0.89 -0.10 0.00 0.00 174.94 174.01 1kr3 s THR 31 N -0.92 0.37 -0.18 2.92 2.01 -0.49 -1.55 115.64 117.80 1kr3 s THR 31 Ca 0.02 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 1kr3 s THR 31 Cb -0.08 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1kr3 s THR 31 CO 0.02 -0.30 0.01 -1.58 -0.69 0.00 0.00 174.62 172.07 1kr3 s GLN 32 N -1.20 3.73 -0.25 4.92 0.74 -1.26 -1.51 119.66 124.83 1kr3 s GLN 32 Ca -0.09 -0.47 -0.07 0.00 0.05 0.00 0.00 55.36 54.77 1kr3 s GLN 32 Cb -0.08 -3.07 -0.16 0.00 1.10 0.00 0.00 33.01 30.80 1kr3 s GLN 32 CO -0.00 0.15 -0.18 1.28 -0.55 0.00 0.00 175.29 175.99 1kr3 n LEU 33 N 3.85 2.43 0.00 3.68 4.77 -1.03 -4.99 117.00 125.70 1kr3 n LEU 33 Ca -0.17 0.14 -0.17 0.00 -0.03 0.00 0.00 56.01 55.78 1kr3 n LEU 33 Cb 0.52 -0.90 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1kr3 n LEU 33 CO 0.33 0.73 -0.01 -1.54 -1.33 0.00 0.00 177.39 175.57 1kr3 n SER 34 N -3.79 -0.89 0.26 -1.43 3.41 -1.01 -5.00 113.62 105.16 1kr3 n SER 34 Ca -0.47 -3.02 0.12 0.00 -0.26 0.00 0.00 58.87 55.24 1kr3 n SER 34 Cb 0.93 1.89 0.71 0.00 -0.26 0.00 0.00 64.21 67.48 1kr3 n SER 34 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1kr3 h ASP 35 N 1.95 0.00 0.00 4.04 3.45 -2.01 -3.22 116.42 120.63 1kr3 h ASP 35 Ca -0.24 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.06 1kr3 h ASP 35 Cb 1.15 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.89 1kr3 h ASP 35 CO 0.34 0.12 -1.88 0.29 -1.57 0.00 0.00 179.24 176.54 1kr3 n LYS 36 N -3.72 1.21 -4.64 3.56 5.02 -1.26 -4.95 118.16 113.38 1kr3 n LYS 36 Ca -0.02 -0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.89 1kr3 n LYS 36 Cb 0.23 -1.37 -0.11 0.00 -0.02 0.00 0.00 35.03 33.76 1kr3 n LYS 36 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1kr3 s VAL 37 N -2.62 3.45 0.08 -0.18 1.01 -1.22 -0.71 120.40 120.21 1kr3 s VAL 37 Ca -0.07 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1kr3 s VAL 37 Cb 0.06 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1kr3 s VAL 37 CO 0.61 0.50 -0.06 -0.31 0.00 0.00 0.00 175.10 175.84 1kr3 s TYR 38 N -0.87 0.76 0.06 5.22 1.51 -0.11 -2.42 117.35 121.51 1kr3 s TYR 38 Ca 0.14 -0.84 0.06 0.00 -1.01 0.00 0.00 57.07 55.42 1kr3 s TYR 38 Cb -0.11 -0.46 -0.03 0.00 -0.11 0.00 0.00 41.96 41.26 1kr3 s TYR 38 CO 0.04 -0.18 -0.17 -0.08 -1.11 0.00 0.00 175.55 174.05 1kr3 s THR 39 N -3.14 1.33 0.13 -0.71 -1.32 -0.57 -1.47 115.64 109.90 1kr3 s THR 39 Ca 0.06 -1.20 0.04 0.00 -1.21 0.00 0.00 61.69 59.38 1kr3 s THR 39 Cb 0.02 -1.21 -0.04 0.00 -1.51 0.00 0.00 72.50 69.76 1kr3 s THR 39 CO -0.04 -0.01 -0.10 -0.72 -2.21 0.00 0.00 174.62 171.53 1kr3 s TYR 40 N -0.98 1.19 -0.08 9.09 -0.85 -0.21 -1.39 117.35 124.11 1kr3 s TYR 40 Ca 0.03 -0.77 0.01 0.00 -0.52 0.00 0.00 57.07 55.83 1kr3 s TYR 40 Cb -0.09 -0.62 0.02 0.00 0.38 0.00 0.00 41.96 41.65 1kr3 s TYR 40 CO 0.02 0.04 -0.11 0.08 -1.52 0.00 0.00 175.55 174.06 1kr3 s VAL 41 N -3.25 1.12 -0.13 -3.49 1.01 0.70 -2.84 120.40 113.52 1kr3 s VAL 41 Ca 0.15 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1kr3 s VAL 41 Cb 0.02 -1.06 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1kr3 s VAL 41 CO -0.00 0.36 -0.18 -0.94 0.00 0.00 0.00 175.10 174.34 1kr3 s SER 42 N 1.00 3.48 -0.18 3.32 1.04 -0.59 -0.50 113.70 121.28 1kr3 s SER 42 Ca -0.08 -0.49 -0.22 0.00 0.48 0.00 0.00 55.95 55.64 1kr3 s SER 42 Cb -0.15 -1.51 -0.02 0.00 0.10 0.00 0.00 66.02 64.44 1kr3 s SER 42 CO -0.00 0.12 0.68 -0.76 0.98 0.00 0.00 173.24 174.26 1kr3 s LEU 43 N 0.59 4.17 0.08 2.42 1.43 0.16 -1.56 118.68 125.97 1kr3 s LEU 43 Ca -0.11 0.94 -0.03 0.00 -1.03 0.00 0.00 54.13 53.91 1kr3 s LEU 43 Cb -0.16 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 1kr3 s LEU 43 CO 0.03 -0.29 0.04 0.00 0.23 0.00 0.00 176.35 176.37 1kr3 s ALA 44 N 1.86 0.46 -0.06 4.21 0.00 -0.70 -4.90 121.76 122.62 1kr3 s ALA 44 Ca 0.32 -1.17 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 1kr3 s ALA 44 Cb -0.16 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 1kr3 s ALA 44 CO 0.11 -0.43 0.23 -1.21 0.00 0.00 0.00 175.76 174.46 1kr3 s GLU 45 N -3.94 3.58 -0.05 0.00 0.41 -1.26 0.21 118.70 117.64 1kr3 s GLU 45 Ca 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 54.97 54.66 1kr3 s GLU 45 Cb 0.07 -3.17 0.03 0.00 -1.78 0.00 0.00 34.13 29.28 1kr3 s GLU 45 CO -0.07 0.73 0.04 0.42 -0.49 0.00 0.00 175.26 175.89 1kr3 s ILE 46 N -1.10 0.07 -0.59 -1.63 1.01 -1.10 -4.96 121.20 112.89 1kr3 s ILE 46 Ca 0.20 0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.86 1kr3 s ILE 46 Cb -0.13 -0.28 -0.12 0.00 0.01 0.00 0.00 42.46 41.93 1kr3 s ILE 46 CO 0.09 0.21 2.44 -1.84 0.00 0.00 0.00 174.94 175.83 1kr3 n GLU 47 N 5.20 0.79 0.00 2.79 0.00 -1.26 -0.30 120.64 127.86 1kr3 n GLU 47 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1kr3 n GLU 47 Cb 0.50 -2.66 0.00 0.00 0.00 0.00 0.00 31.44 29.28 1kr3 n GLU 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kr3 n GLY 48 N 6.27 1.40 0.00 -1.84 0.00 -1.26 -4.92 105.19 104.85 1kr3 n GLY 48 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1kr3 n GLY 48 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kr3 n TRP 49 N -0.34 0.00 -4.91 1.61 7.02 0.59 -5.15 117.44 116.26 1kr3 n TRP 49 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1kr3 n TRP 49 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1kr3 n TRP 49 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1kr3 n GLY 50 N 0.01 0.44 3.54 6.99 0.00 -0.84 -4.58 105.19 110.75 1kr3 n GLY 50 Ca 0.00 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 1kr3 n GLY 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kr3 n MET 51 N -0.31 1.08 -4.27 1.61 2.81 -1.26 -2.70 117.12 114.09 1kr3 n MET 51 Ca 0.00 0.12 -0.19 0.00 -1.81 0.00 0.00 57.70 55.82 1kr3 n MET 51 Cb 0.00 -3.08 -0.15 0.00 -0.71 0.00 0.00 33.22 29.28 1kr3 n MET 51 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1kr3 s VAL 52 N 10.70 0.60 -0.18 2.03 -7.23 0.13 -4.96 120.40 121.49 1kr3 s VAL 52 Ca 1.04 -0.26 -0.29 0.00 -1.81 0.00 0.00 61.98 60.66 1kr3 s VAL 52 Cb -0.40 -0.55 -0.00 0.00 0.56 0.00 0.00 36.38 35.98 1kr3 s VAL 52 CO 0.33 0.20 1.07 -2.16 -0.31 0.00 0.00 175.10 174.23 1kr3 s PRO 53 N 0.25 4.30 -0.06 4.82 0.04 -1.26 -1.73 135.00 141.36 1kr3 s PRO 53 Ca -0.03 1.43 0.04 0.00 0.04 0.00 0.00 61.00 62.48 1kr3 s PRO 53 Cb -0.08 -3.63 -0.02 0.00 0.04 0.00 0.00 34.50 30.81 1kr3 s PRO 53 CO 0.00 -0.55 -0.17 -1.12 0.04 0.00 0.00 177.00 175.20 1kr3 s SER 54 N 1.30 3.75 0.22 6.66 0.01 -0.60 -4.48 113.70 120.56 1kr3 s SER 54 Ca 0.47 -0.30 0.05 0.00 1.31 0.00 0.00 55.95 57.49 1kr3 s SER 54 Cb -0.17 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.15 1kr3 s SER 54 CO 0.11 0.30 0.25 0.20 0.41 0.00 0.00 173.24 174.51 1kr3 s ASN 55 N -0.49 5.89 0.11 2.44 0.01 -0.66 -1.54 114.94 120.70 1kr3 s ASN 55 Ca 0.06 -0.07 -0.25 0.00 -0.71 0.00 0.00 52.86 51.90 1kr3 s ASN 55 Cb -0.12 -1.63 0.07 0.00 0.41 0.00 0.00 41.25 39.99 1kr3 s ASN 55 CO 0.01 -0.01 0.64 -0.83 -1.51 0.00 0.00 177.10 175.40 1kr3 s GLY 56 N -3.64 -0.60 0.38 0.66 0.00 -1.13 -4.90 107.32 98.08 1kr3 s GLY 56 Ca 0.33 0.70 0.08 0.00 0.00 0.00 0.00 44.72 45.83 1kr3 s GLY 56 CO 0.26 0.33 0.29 1.06 0.00 0.00 0.00 173.10 175.05 1kr3 s MET 57 N -3.20 2.54 -0.02 2.90 1.00 -1.09 -1.05 119.30 120.39 1kr3 s MET 57 Ca -0.01 -1.48 0.00 0.00 0.00 0.00 0.00 55.69 54.20 1kr3 s MET 57 Cb -0.01 -2.34 0.03 0.00 0.00 0.00 0.00 34.83 32.51 1kr3 s MET 57 CO -0.08 -0.04 0.02 0.42 0.00 0.00 0.00 175.02 175.34 1kr3 s ILE 58 N -2.42 0.02 -0.07 2.53 1.01 -0.54 -2.27 121.20 119.46 1kr3 s ILE 58 Ca 0.43 0.17 0.03 0.00 0.00 0.00 0.00 60.65 61.28 1kr3 s ILE 58 Cb -0.03 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.31 1kr3 s ILE 58 CO 0.26 0.10 -0.15 -0.69 0.00 0.00 0.00 174.94 174.46 1kr3 s VAL 59 N 1.03 1.35 0.12 2.92 1.01 -0.54 -0.94 120.40 125.35 1kr3 s VAL 59 Ca -0.09 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.37 1kr3 s VAL 59 Cb -0.13 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1kr3 s VAL 59 CO -0.03 0.40 -0.25 -0.63 0.00 0.00 0.00 175.10 174.60 1kr3 s ILE 60 N 0.48 2.05 -0.29 2.22 1.01 0.12 -0.69 121.20 126.10 1kr3 s ILE 60 Ca -0.13 -1.67 -0.16 0.00 0.00 0.00 0.00 60.65 58.69 1kr3 s ILE 60 Cb -0.15 -1.83 0.15 0.00 0.01 0.00 0.00 42.46 40.64 1kr3 s ILE 60 CO 0.04 0.04 0.97 0.21 0.00 0.00 0.00 174.94 176.20 1kr3 s ASN 61 N -1.99 -0.54 -1.70 3.58 2.47 -0.77 -4.77 114.94 111.21 1kr3 s ASN 61 Ca 0.11 0.82 -0.16 0.00 0.42 0.00 0.00 52.86 54.05 1kr3 s ASN 61 Cb -0.10 1.38 0.15 0.00 -1.45 0.00 0.00 41.25 41.23 1kr3 s ASN 61 CO 0.05 -0.12 0.66 0.59 -3.72 0.00 0.00 177.10 174.56 1kr3 n ASN 62 N 4.17 -2.43 -0.01 -4.21 3.02 -1.26 -1.23 115.26 113.31 1kr3 n ASN 62 Ca -0.15 -1.07 -0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1kr3 n ASN 62 Cb 0.56 -2.49 -0.00 0.00 -0.61 0.00 0.00 39.78 37.24 1kr3 n ASN 62 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1kr3 n HIS 63 N -4.34 0.00 -4.54 3.10 8.25 -1.26 -5.04 115.22 111.39 1kr3 n HIS 63 Ca 0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.17 1kr3 n HIS 63 Cb 0.52 -0.39 -0.12 0.00 1.12 0.00 0.00 29.99 31.12 1kr3 n HIS 63 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1kr3 s GLN 64 N -0.45 2.20 0.08 -0.41 -0.21 -0.37 -0.87 119.66 119.64 1kr3 s GLN 64 Ca 0.00 -0.92 0.08 0.00 0.02 0.00 0.00 55.36 54.54 1kr3 s GLN 64 Cb 0.00 -2.29 -0.03 0.00 1.00 0.00 0.00 33.01 31.69 1kr3 s GLN 64 CO 0.00 0.55 -0.20 0.00 -2.12 0.00 0.00 175.29 173.52 1kr3 s ALA 65 N -0.99 1.76 -0.08 6.09 0.00 0.15 -1.85 121.76 126.84 1kr3 s ALA 65 Ca 0.16 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.99 1kr3 s ALA 65 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1kr3 s ALA 65 CO 0.07 0.36 -0.19 0.00 0.00 0.00 0.00 175.76 176.00 1kr3 s ALA 66 N -1.04 2.40 -0.17 0.00 0.00 0.13 -1.27 121.76 121.81 1kr3 s ALA 66 Ca 0.06 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1kr3 s ALA 66 Cb -0.10 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 1kr3 s ALA 66 CO 0.03 0.39 -0.11 -1.17 0.00 0.00 0.00 175.76 174.91 1kr3 s LEU 67 N -0.12 2.66 -0.32 0.00 2.96 0.21 -1.47 118.68 122.60 1kr3 s LEU 67 Ca -0.03 -0.42 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 1kr3 s LEU 67 Cb -0.14 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 1kr3 s LEU 67 CO 0.04 0.06 0.17 -0.76 -1.32 0.00 0.00 176.35 174.54 1kr3 s LEU 68 N 0.97 4.21 0.20 -0.68 1.43 -0.96 -2.62 118.68 121.23 1kr3 s LEU 68 Ca -0.02 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1kr3 s LEU 68 Cb -0.15 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.05 1kr3 s LEU 68 CO -0.01 -0.21 0.00 0.47 0.23 0.00 0.00 176.35 176.82 1kr3 n ASP 69 N 5.00 -2.86 -4.24 2.29 9.92 -0.67 -2.66 116.55 123.33 1kr3 n ASP 69 Ca -0.13 0.63 -0.17 0.00 -0.53 0.00 0.00 54.79 54.59 1kr3 n ASP 69 Cb 0.49 -1.05 -0.11 0.00 -0.64 0.00 0.00 41.12 39.82 1kr3 n ASP 69 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1kr3 s THR 70 N -4.45 1.27 1.17 -3.53 -4.23 -0.43 -4.77 115.64 100.67 1kr3 s THR 70 Ca 0.00 -1.81 -0.17 0.00 -1.18 0.00 0.00 61.69 58.53 1kr3 s THR 70 Cb 0.00 -1.61 0.20 0.00 1.34 0.00 0.00 72.50 72.43 1kr3 s THR 70 CO 0.00 -0.51 0.42 -2.65 -0.54 0.00 0.00 174.62 171.34 1kr3 n PRO 71 N 0.33 -2.19 0.23 3.99 -0.02 -1.26 -3.94 135.00 132.13 1kr3 n PRO 71 Ca -0.14 -0.62 0.16 0.00 -2.02 0.00 0.00 63.50 60.88 1kr3 n PRO 71 Cb 0.58 -1.87 0.79 0.00 -0.02 0.00 0.00 33.50 32.98 1kr3 n PRO 71 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1kr3 h ILE 72 N -2.43 0.00 -4.29 4.25 -0.00 -1.89 -3.23 117.51 109.93 1kr3 h ILE 72 Ca -0.57 -0.07 -0.18 0.00 -0.00 0.00 0.00 64.86 64.04 1kr3 h ILE 72 Cb 1.34 0.80 -0.13 0.00 -0.00 0.00 0.00 36.82 38.82 1kr3 h ILE 72 CO 0.42 0.00 -0.45 0.54 -0.00 0.00 0.00 178.15 178.66 1kr3 s ASN 73 N -4.56 0.09 0.33 2.16 2.20 -1.26 -4.22 114.94 109.68 1kr3 s ASN 73 Ca -0.02 -1.25 0.03 0.00 -0.94 0.00 0.00 52.86 50.68 1kr3 s ASN 73 Cb 0.09 0.45 0.63 0.00 -2.00 0.00 0.00 41.25 40.42 1kr3 s ASN 73 CO 0.32 -0.94 1.93 0.44 -2.94 0.00 0.00 177.10 175.91 1kr3 h ASP 74 N 2.49 0.79 0.74 3.54 5.19 -1.85 -2.77 116.42 124.55 1kr3 h ASP 74 Ca -0.33 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.05 1kr3 h ASP 74 Cb 1.25 -0.16 0.01 0.00 0.18 0.00 0.00 39.33 40.60 1kr3 h ASP 74 CO 0.47 0.51 -0.36 0.00 -3.12 0.00 0.00 179.24 176.74 1kr3 h ALA 75 N 1.55 -1.00 -0.65 3.45 0.00 -1.97 -0.89 119.26 119.77 1kr3 h ALA 75 Ca 0.36 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1kr3 h ALA 75 Cb 0.24 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1kr3 h ALA 75 CO -0.13 -1.01 0.44 1.96 0.00 0.00 0.00 179.25 180.51 1kr3 h GLN 76 N -1.10 0.39 -0.21 0.00 4.20 -1.95 -2.04 115.11 114.40 1kr3 h GLN 76 Ca -0.10 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1kr3 h GLN 76 Cb 0.78 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1kr3 h GLN 76 CO 0.17 0.25 -0.01 1.15 -0.67 0.00 0.00 178.83 179.72 1kr3 h THR 77 N 0.40 1.26 -0.45 -0.54 2.02 -1.35 -1.65 112.91 112.61 1kr3 h THR 77 Ca 0.31 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 1kr3 h THR 77 Cb 0.66 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1kr3 h THR 77 CO -0.09 0.28 0.20 -0.08 0.37 0.00 0.00 175.52 176.21 1kr3 h GLU 78 N 0.13 0.66 0.31 6.66 4.81 -0.51 0.52 114.58 127.15 1kr3 h GLU 78 Ca 0.06 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1kr3 h GLU 78 Cb 0.43 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1kr3 h GLU 78 CO 0.01 0.58 -0.26 0.52 -0.73 0.00 0.00 179.01 179.13 1kr3 h MET 79 N 0.58 -0.56 -0.96 1.92 2.86 -1.41 -0.71 114.93 116.64 1kr3 h MET 79 Ca 0.15 0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.92 1kr3 h MET 79 Cb 0.15 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 31.87 1kr3 h MET 79 CO -0.02 -0.37 0.62 1.25 1.06 0.00 0.00 176.91 179.45 1kr3 h LEU 80 N -0.58 0.94 -0.97 1.22 5.85 -1.05 -0.81 115.31 119.91 1kr3 h LEU 80 Ca -0.02 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1kr3 h LEU 80 Cb 0.52 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1kr3 h LEU 80 CO -0.02 0.56 -0.05 0.58 -0.34 0.00 0.00 178.44 179.17 1kr3 h VAL 81 N 1.04 1.24 0.08 1.05 2.07 0.82 -2.90 116.25 119.65 1kr3 h VAL 81 Ca 0.44 -1.02 -0.26 0.00 0.82 0.00 0.00 66.70 66.68 1kr3 h VAL 81 Cb 0.31 0.98 0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1kr3 h VAL 81 CO -0.19 0.35 -1.12 0.78 0.02 0.00 0.00 177.57 177.41 1kr3 h ASN 82 N 0.64 0.55 -0.54 0.57 2.35 -0.42 -3.04 115.58 115.69 1kr3 h ASN 82 Ca 0.12 -0.51 0.06 0.00 -0.55 0.00 0.00 56.30 55.43 1kr3 h ASN 82 Cb 0.48 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 1kr3 h ASN 82 CO 0.02 1.34 0.24 -0.25 -1.65 0.00 0.00 177.43 177.14 1kr3 h TRP 83 N 0.17 0.43 0.35 1.19 7.01 -1.10 0.52 115.95 124.53 1kr3 h TRP 83 Ca -0.12 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.90 1kr3 h TRP 83 Cb 1.79 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 28.71 1kr3 h TRP 83 CO 0.07 0.18 -0.50 0.28 -2.79 0.00 0.00 178.44 175.68 1kr3 h VAL 84 N 0.46 0.03 -0.70 2.65 2.07 -1.56 1.51 116.25 120.71 1kr3 h VAL 84 Ca 0.25 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.72 1kr3 h VAL 84 Cb 0.23 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1kr3 h VAL 84 CO -0.22 0.00 0.23 0.71 0.02 0.00 0.00 177.57 178.32 1kr3 h THR 85 N -0.90 1.25 -0.17 2.57 1.35 -1.36 0.75 112.91 116.40 1kr3 h THR 85 Ca -0.04 -0.86 -0.09 0.00 -0.55 0.00 0.00 66.41 64.87 1kr3 h THR 85 Cb 0.82 0.50 -0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1kr3 h THR 85 CO -0.15 0.34 -0.26 0.44 -0.25 0.00 0.00 175.52 175.64 1kr3 h ASP 86 N 1.02 0.53 0.09 5.36 3.45 0.30 -1.26 116.42 125.91 1kr3 h ASP 86 Ca 0.23 -0.52 -0.36 0.00 0.43 0.00 0.00 57.03 56.81 1kr3 h ASP 86 Cb 0.28 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.87 1kr3 h ASP 86 CO -0.01 0.95 -2.01 -1.20 -1.57 0.00 0.00 179.24 175.40 1kr3 n SER 87 N -4.41 2.08 -0.00 6.45 7.64 0.51 -4.36 113.62 121.54 1kr3 n SER 87 Ca -0.06 0.18 0.11 0.00 1.01 0.00 0.00 58.87 60.11 1kr3 n SER 87 Cb 0.44 -0.81 -0.02 0.00 -1.01 0.00 0.00 64.21 62.82 1kr3 n SER 87 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1kr3 n LEU 88 N -3.56 0.86 -3.03 -3.43 4.77 0.23 -4.99 117.00 107.85 1kr3 n LEU 88 Ca -0.34 -0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 55.13 1kr3 n LEU 88 Cb 1.00 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 42.09 1kr3 n LEU 88 CO 0.37 0.22 0.07 1.41 -1.33 0.00 0.00 177.39 178.13 1kr3 n HIS 89 N -1.50 -1.92 -3.81 -1.77 8.25 0.45 -4.93 115.22 109.98 1kr3 n HIS 89 Ca 0.04 0.78 -0.13 0.00 -0.26 0.00 0.00 57.72 58.15 1kr3 n HIS 89 Cb 0.33 -4.40 -0.14 0.00 1.12 0.00 0.00 29.99 26.91 1kr3 n HIS 89 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kr3 s ALA 90 N -3.31 -0.13 -0.14 -1.41 0.00 -1.19 -4.69 121.76 110.88 1kr3 s ALA 90 Ca 0.12 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 1kr3 s ALA 90 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1kr3 s ALA 90 CO 0.62 -0.07 1.15 0.21 0.00 0.00 0.00 175.76 177.67 1kr3 s LYS 91 N 0.45 4.30 -0.58 0.00 2.20 -0.05 -3.55 119.74 122.52 1kr3 s LYS 91 Ca -0.03 1.55 -0.28 0.00 -0.36 0.00 0.00 55.97 56.84 1kr3 s LYS 91 Cb -0.05 -3.65 0.03 0.00 -1.51 0.00 0.00 37.83 32.65 1kr3 s LYS 91 CO -0.02 -0.56 1.20 0.08 -0.36 0.00 0.00 175.35 175.69 1kr3 s VAL 92 N 2.86 4.01 -0.52 4.02 1.01 -1.26 0.33 120.40 130.86 1kr3 s VAL 92 Ca 0.51 0.91 0.13 0.00 0.00 0.00 0.00 61.98 63.53 1kr3 s VAL 92 Cb -0.20 -4.72 -0.16 0.00 0.00 0.00 0.00 36.38 31.30 1kr3 s VAL 92 CO 0.15 -1.34 0.52 0.35 0.00 0.00 0.00 175.10 174.78 1kr3 n THR 93 N 6.68 0.00 -4.17 3.92 -2.24 -0.40 -4.82 114.28 113.25 1kr3 n THR 93 Ca 0.09 -0.21 -0.16 0.00 -2.27 0.00 0.00 64.05 61.50 1kr3 n THR 93 Cb 0.49 0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 69.44 1kr3 n THR 93 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1kr3 s THR 94 N -2.37 0.44 -0.01 4.28 2.01 -1.01 -2.43 115.64 116.54 1kr3 s THR 94 Ca 0.03 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1kr3 s THR 94 Cb 0.10 -0.38 0.01 0.00 0.01 0.00 0.00 72.50 72.24 1kr3 s THR 94 CO 0.55 0.13 0.01 0.12 -0.69 0.00 0.00 174.62 174.73 1kr3 s PHE 95 N -0.06 0.04 -0.08 4.92 2.19 -0.65 0.64 117.98 124.99 1kr3 s PHE 95 Ca 0.01 0.03 -0.03 0.00 0.33 0.00 0.00 56.93 57.28 1kr3 s PHE 95 Cb -0.03 -0.09 0.04 0.00 -1.31 0.00 0.00 43.02 41.63 1kr3 s PHE 95 CO -0.00 -0.03 0.07 0.42 1.83 0.00 0.00 175.22 177.51 1kr3 s ILE 96 N 0.33 -0.11 0.08 3.12 1.01 -1.08 -0.71 121.20 123.83 1kr3 s ILE 96 Ca -0.03 0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.81 1kr3 s ILE 96 Cb -0.04 -0.27 -0.05 0.00 0.01 0.00 0.00 42.46 42.10 1kr3 s ILE 96 CO -0.01 0.05 0.36 -2.16 0.00 0.00 0.00 174.94 173.19 1kr3 s PRO 97 N 2.17 3.68 0.16 2.79 0.04 -1.25 -1.67 135.00 140.92 1kr3 s PRO 97 Ca 0.04 0.05 -0.13 0.00 0.04 0.00 0.00 61.00 61.00 1kr3 s PRO 97 Cb -0.13 -2.98 0.04 0.00 0.04 0.00 0.00 34.50 31.47 1kr3 s PRO 97 CO -0.05 0.56 1.71 -0.97 0.04 0.00 0.00 177.00 178.29 1kr3 h ASN 98 N 3.57 0.73 -2.44 6.66 -0.73 -1.92 -3.44 115.58 118.00 1kr3 h ASN 98 Ca -0.49 -0.18 0.02 0.00 1.87 0.00 0.00 56.30 57.53 1kr3 h ASN 98 Cb 1.19 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 39.59 1kr3 h ASN 98 CO 0.68 0.71 0.30 0.00 -0.37 0.00 0.00 177.43 178.74 1kr3 n HIS 99 N -4.52 -1.82 0.67 0.67 1.44 -1.26 -2.24 115.22 108.16 1kr3 n HIS 99 Ca 0.02 -1.34 0.06 0.00 -2.01 0.00 0.00 57.72 54.45 1kr3 n HIS 99 Cb 0.16 0.66 0.33 0.00 0.12 0.00 0.00 29.99 31.27 1kr3 n HIS 99 CO 0.00 0.00 0.00 -2.67 -2.81 0.00 0.00 176.34 170.86 1kr3 n TRP 100 N -0.47 0.00 -1.45 -1.40 4.27 -1.26 -4.44 117.44 112.68 1kr3 n TRP 100 Ca -0.05 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.26 1kr3 n TRP 100 Cb 0.47 -0.12 0.12 0.00 -1.36 0.00 0.00 31.31 30.42 1kr3 n TRP 100 CO 0.00 0.00 0.00 -1.01 -2.29 0.00 0.00 177.69 174.39 1kr3 s HIS 101 N -2.24 2.60 0.32 -2.67 3.76 -1.26 -4.80 115.29 111.00 1kr3 s HIS 101 Ca 0.15 1.08 0.04 0.00 -0.15 0.00 0.00 55.06 56.18 1kr3 s HIS 101 Cb 0.08 -3.21 0.64 0.00 1.11 0.00 0.00 32.58 31.21 1kr3 s HIS 101 CO 0.16 -2.13 1.90 0.78 -0.85 0.00 0.00 174.74 174.60 1kr3 h GLY 102 N -1.34 1.26 -1.71 -2.22 0.00 -1.94 -1.83 103.07 95.29 1kr3 h GLY 102 Ca -0.49 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.45 1kr3 h GLY 102 CO 0.59 0.22 0.03 2.09 0.00 0.00 0.00 176.54 179.46 1kr3 n ASP 103 N -4.52 2.24 0.00 0.19 5.75 -1.26 -1.30 116.55 117.65 1kr3 n ASP 103 Ca 0.15 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 1kr3 n ASP 103 Cb 0.29 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1kr3 n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kr3 n ILE 105 N -2.49 1.28 -0.29 0.00 -5.35 -0.92 -1.32 119.36 110.27 1kr3 n ILE 105 Ca 0.00 -1.44 0.34 0.00 -0.27 0.00 0.00 62.75 61.38 1kr3 n ILE 105 Cb 0.25 0.20 0.73 0.00 -1.74 0.00 0.00 39.64 39.08 1kr3 n ILE 105 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1kr3 h GLY 106 N 0.00 0.00 -0.43 3.28 0.00 -1.32 -1.21 103.07 103.40 1kr3 h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1kr3 h GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1kr3 n GLY 107 N -1.74 4.63 0.23 4.60 0.00 -1.22 -3.97 105.19 107.72 1kr3 n GLY 107 Ca 0.24 -1.10 0.03 0.00 0.00 0.00 0.00 46.02 45.19 1kr3 n GLY 107 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1kr3 h LEU 108 N 0.48 0.16 -0.68 0.99 5.85 -1.57 -2.18 115.31 118.36 1kr3 h LEU 108 Ca 0.00 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1kr3 h LEU 108 Cb 1.11 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1kr3 h LEU 108 CO 0.06 0.35 0.41 1.23 -0.34 0.00 0.00 178.44 180.15 1kr3 h GLY 109 N 0.76 0.98 0.72 3.75 0.00 -1.84 1.00 103.07 108.44 1kr3 h GLY 109 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1kr3 h GLY 109 CO 0.03 0.23 -0.45 -1.82 0.00 0.00 0.00 176.54 174.52 1kr3 h TYR 110 N 0.78 -1.23 -1.02 5.60 3.20 -1.77 -0.54 116.97 121.99 1kr3 h TYR 110 Ca 0.28 -0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.40 1kr3 h TYR 110 Cb 0.08 0.45 -0.11 0.00 1.54 0.00 0.00 36.73 38.70 1kr3 h TYR 110 CO -0.06 -0.66 0.63 -0.07 -1.64 0.00 0.00 178.16 176.37 1kr3 h LEU 111 N -1.04 0.57 0.04 2.82 3.38 -1.03 -0.04 115.31 120.01 1kr3 h LEU 111 Ca -0.08 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1kr3 h LEU 111 Cb 0.87 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1kr3 h LEU 111 CO 0.04 0.11 -0.02 1.56 0.09 0.00 0.00 178.44 180.21 1kr3 h GLN 112 N 0.50 -0.05 -0.51 1.13 4.20 -0.17 -1.80 115.11 118.41 1kr3 h GLN 112 Ca 0.62 0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.48 1kr3 h GLN 112 Cb 1.35 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 1kr3 h GLN 112 CO -0.38 0.18 0.74 0.00 -0.67 0.00 0.00 178.83 178.71 1kr3 h ARG 113 N -0.28 0.00 -0.44 1.46 2.47 0.60 0.48 114.38 118.66 1kr3 h ARG 113 Ca -0.01 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.63 1kr3 h ARG 113 Cb 0.26 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.53 1kr3 h ARG 113 CO 0.01 0.00 0.06 1.63 0.56 0.00 0.00 179.97 182.23 1kr3 n LYS 114 N -3.30 3.22 -3.25 0.04 5.02 -0.72 -4.99 118.16 114.18 1kr3 n LYS 114 Ca 0.10 -3.01 -0.23 0.00 -2.02 0.00 0.00 58.31 53.16 1kr3 n LYS 114 Cb 0.92 -2.00 0.05 0.00 -0.02 0.00 0.00 35.03 33.99 1kr3 n LYS 114 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kr3 n GLY 115 N -0.37 -0.53 3.74 0.72 0.00 0.17 -5.01 105.19 103.90 1kr3 n GLY 115 Ca 0.29 0.18 -0.40 0.00 0.00 0.00 0.00 46.02 46.09 1kr3 n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kr3 s VAL 116 N -3.23 4.89 0.11 1.61 1.01 -0.92 -5.02 120.40 118.85 1kr3 s VAL 116 Ca 0.41 1.52 -0.31 0.00 0.00 0.00 0.00 61.98 63.60 1kr3 s VAL 116 Cb -0.18 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 1kr3 s VAL 116 CO 0.51 0.32 1.38 -1.10 0.00 0.00 0.00 175.10 176.21 1kr3 s GLN 117 N 0.30 4.33 -0.01 2.72 -1.52 -1.02 -4.76 119.66 119.70 1kr3 s GLN 117 Ca 0.38 2.06 0.04 0.00 -1.95 0.00 0.00 55.36 55.88 1kr3 s GLN 117 Cb -0.19 -3.25 -0.03 0.00 -0.22 0.00 0.00 33.01 29.32 1kr3 s GLN 117 CO 0.20 -0.43 -0.11 -1.54 -0.25 0.00 0.00 175.29 173.17 1kr3 s SER 118 N 1.09 4.28 0.03 5.90 1.04 -1.26 -1.63 113.70 123.15 1kr3 s SER 118 Ca 0.64 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.88 1kr3 s SER 118 Cb -0.36 -0.92 -0.02 0.00 0.10 0.00 0.00 66.02 64.82 1kr3 s SER 118 CO 0.30 0.30 -0.08 -0.31 0.98 0.00 0.00 173.24 174.43 1kr3 s TYR 119 N -0.89 0.69 0.04 5.02 1.51 0.11 -2.78 117.35 121.05 1kr3 s TYR 119 Ca 0.15 -0.36 -0.28 0.00 -1.01 0.00 0.00 57.07 55.57 1kr3 s TYR 119 Cb -0.11 -0.42 0.10 0.00 -0.11 0.00 0.00 41.96 41.42 1kr3 s TYR 119 CO 0.05 -0.04 1.06 0.00 -1.11 0.00 0.00 175.55 175.51 1kr3 s ALA 120 N -0.93 -1.90 0.33 3.71 0.00 -0.24 -3.77 121.76 118.96 1kr3 s ALA 120 Ca -0.05 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 1kr3 s ALA 120 Cb -0.07 0.43 -0.12 0.00 0.00 0.00 0.00 23.12 23.36 1kr3 s ALA 120 CO 0.00 -0.92 1.52 -1.71 0.00 0.00 0.00 175.76 174.65 1kr3 n ASN 121 N -0.39 3.68 -0.14 0.00 5.15 -1.26 -0.86 115.26 121.43 1kr3 n ASN 121 Ca -0.06 1.18 0.12 0.00 -0.60 0.00 0.00 54.58 55.21 1kr3 n ASN 121 Cb 0.61 -1.58 0.46 0.00 -0.53 0.00 0.00 39.78 38.73 1kr3 n ASN 121 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1kr3 h GLN 122 N 3.86 0.50 0.00 1.20 5.75 -0.55 0.59 115.11 126.46 1kr3 h GLN 122 Ca -0.48 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 57.92 1kr3 h GLN 122 Cb 1.24 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 1kr3 h GLN 122 CO 0.72 0.33 -0.32 0.52 -2.65 0.00 0.00 178.83 177.43 1kr3 h MET 123 N 0.52 0.00 -0.35 1.69 2.86 -1.89 -1.40 114.93 116.36 1kr3 h MET 123 Ca 0.33 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.82 1kr3 h MET 123 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1kr3 h MET 123 CO -0.11 0.32 -0.37 1.15 1.06 0.00 0.00 176.91 178.97 1kr3 h THR 124 N 0.00 1.28 0.19 2.22 2.02 -1.19 -1.93 112.91 115.50 1kr3 h THR 124 Ca -0.00 -1.54 -0.01 0.00 0.77 0.00 0.00 66.41 65.63 1kr3 h THR 124 Cb 0.67 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1kr3 h THR 124 CO 0.04 0.51 -0.09 0.40 0.37 0.00 0.00 175.52 176.75 1kr3 h ILE 125 N 0.67 0.84 -1.00 3.11 2.04 -0.91 -2.23 117.51 120.03 1kr3 h ILE 125 Ca 0.06 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1kr3 h ILE 125 Cb 0.93 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 1kr3 h ILE 125 CO 0.09 0.02 0.66 0.44 0.00 0.00 0.00 178.15 179.36 1kr3 h ASP 126 N -0.30 1.14 -0.08 1.72 3.32 -1.23 -2.06 116.42 118.93 1kr3 h ASP 126 Ca -0.03 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 1kr3 h ASP 126 Cb 0.23 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1kr3 h ASP 126 CO 0.04 0.83 -0.19 -0.07 -1.72 0.00 0.00 179.24 178.12 1kr3 h LEU 127 N 1.35 0.47 -0.19 1.55 3.38 -1.22 -2.65 115.31 117.99 1kr3 h LEU 127 Ca 0.37 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 58.02 1kr3 h LEU 127 Cb -0.15 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1kr3 h LEU 127 CO -0.08 0.68 -0.85 0.00 0.09 0.00 0.00 178.44 178.27 1kr3 h ALA 128 N 1.37 0.53 -0.49 1.53 0.00 -1.06 -3.13 119.26 118.01 1kr3 h ALA 128 Ca 0.07 -0.78 -0.13 0.00 0.00 0.00 0.00 54.91 54.07 1kr3 h ALA 128 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1kr3 h ALA 128 CO 0.04 1.07 -0.21 -0.22 0.00 0.00 0.00 179.25 179.93 1kr3 h LYS 129 N 0.00 0.99 -0.01 0.00 3.64 -1.29 -0.57 116.57 119.33 1kr3 h LYS 129 Ca -0.01 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1kr3 h LYS 129 Cb 1.56 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1kr3 h LYS 129 CO 0.11 1.09 -0.12 -0.85 -2.27 0.00 0.00 179.45 177.41 1kr3 n GLU 130 N -4.11 0.99 -0.07 1.90 0.28 -1.01 -3.35 120.64 115.27 1kr3 n GLU 130 Ca 0.00 -0.47 0.02 0.00 -0.16 0.00 0.00 57.16 56.55 1kr3 n GLU 130 Cb 0.45 -1.49 0.06 0.00 1.43 0.00 0.00 31.44 31.89 1kr3 n GLU 130 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1kr3 n LYS 131 N -0.60 2.92 -3.30 3.44 5.02 -1.16 -5.01 118.16 119.47 1kr3 n LYS 131 Ca 0.15 -1.74 -0.23 0.00 -2.02 0.00 0.00 58.31 54.48 1kr3 n LYS 131 Cb 0.31 -1.12 0.06 0.00 -0.02 0.00 0.00 35.03 34.26 1kr3 n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kr3 n GLY 132 N -0.15 -0.54 3.87 0.72 0.00 -0.82 -5.03 105.19 103.25 1kr3 n GLY 132 Ca 0.05 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 1kr3 n GLY 132 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kr3 s LEU 133 N -7.00 4.09 0.55 0.99 1.43 -0.28 -5.05 118.68 113.41 1kr3 s LEU 133 Ca 0.44 0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 53.37 1kr3 s LEU 133 Cb -0.20 -2.68 -0.06 0.00 0.03 0.00 0.00 46.19 43.29 1kr3 s LEU 133 CO 0.55 0.06 1.12 -0.81 0.23 0.00 0.00 176.35 177.51 1kr3 n PRO 134 N -0.42 1.27 -4.33 1.29 -0.04 -1.26 -4.48 135.00 127.03 1kr3 n PRO 134 Ca -0.08 0.47 -0.35 0.00 -0.04 0.00 0.00 63.50 63.51 1kr3 n PRO 134 Cb 0.54 -2.30 -0.10 0.00 -0.04 0.00 0.00 33.50 31.60 1kr3 n PRO 134 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1kr3 s VAL 135 N -1.39 4.28 0.75 0.52 1.01 -1.26 -4.84 120.40 119.47 1kr3 s VAL 135 Ca 0.72 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 1kr3 s VAL 135 Cb -0.44 -2.84 0.04 0.00 0.00 0.00 0.00 36.38 33.14 1kr3 s VAL 135 CO 0.49 0.56 1.08 -2.84 0.00 0.00 0.00 175.10 174.39 1kr3 s PRO 136 N -0.41 2.46 0.04 2.72 0.02 -1.26 -5.00 135.00 133.58 1kr3 s PRO 136 Ca 0.08 0.88 0.24 0.00 0.02 0.00 0.00 61.00 62.21 1kr3 s PRO 136 Cb -0.12 -1.94 0.20 0.00 0.02 0.00 0.00 34.50 32.66 1kr3 s PRO 136 CO 0.02 -1.42 1.17 -0.85 -0.33 0.00 0.00 177.00 175.60 1kr3 n GLU 137 N -3.33 0.18 -3.65 5.54 0.00 -1.20 -4.86 120.64 113.33 1kr3 n GLU 137 Ca 0.08 0.01 -0.21 0.00 0.00 0.00 0.00 57.16 57.04 1kr3 n GLU 137 Cb 0.54 -1.57 -0.17 0.00 0.00 0.00 0.00 31.44 30.24 1kr3 n GLU 137 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1kr3 s HIS 138 N -3.12 0.02 0.21 -1.84 3.76 -1.12 -5.03 115.29 108.17 1kr3 s HIS 138 Ca 0.07 0.20 0.01 0.00 -0.15 0.00 0.00 55.06 55.19 1kr3 s HIS 138 Cb 0.15 -0.48 -0.04 0.00 1.11 0.00 0.00 32.58 33.33 1kr3 s HIS 138 CO 0.77 -0.30 0.37 0.20 -0.85 0.00 0.00 174.74 174.92 1kr3 s GLY 139 N 2.20 1.62 0.30 -2.22 0.00 -1.25 -1.08 107.32 106.88 1kr3 s GLY 139 Ca 0.04 -0.97 0.07 0.00 0.00 0.00 0.00 44.72 43.86 1kr3 s GLY 139 CO -0.05 -0.95 -0.05 -0.11 0.00 0.00 0.00 173.10 171.93 1kr3 s PHE 140 N -1.89 2.04 -0.03 1.90 -0.12 -0.04 -4.74 117.98 115.10 1kr3 s PHE 140 Ca 0.37 -0.69 0.04 0.00 -0.05 0.00 0.00 56.93 56.60 1kr3 s PHE 140 Cb -0.10 -1.19 -0.05 0.00 -0.63 0.00 0.00 43.02 41.04 1kr3 s PHE 140 CO 0.30 0.31 0.04 0.25 -0.05 0.00 0.00 175.22 176.06 1kr3 n THR 141 N -0.64 0.18 0.02 -4.49 -2.24 -1.26 0.19 114.28 106.05 1kr3 n THR 141 Ca -0.05 -0.14 -0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1kr3 n THR 141 Cb 0.64 -0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1kr3 n THR 141 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1kr3 n ASP 142 N -1.99 0.56 -4.01 3.42 -0.08 -1.26 -4.77 116.55 108.41 1kr3 n ASP 142 Ca -0.05 0.07 -0.08 0.00 -1.51 0.00 0.00 54.79 53.22 1kr3 n ASP 142 Cb 0.47 -0.18 -0.10 0.00 2.34 0.00 0.00 41.12 43.64 1kr3 n ASP 142 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1kr3 s SER 143 N -5.45 0.31 -0.04 1.67 1.04 -1.26 -1.26 113.70 108.70 1kr3 s SER 143 Ca -0.01 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.74 1kr3 s SER 143 Cb 0.00 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.31 1kr3 s SER 143 CO 0.01 -0.44 0.03 -0.22 0.98 0.00 0.00 173.24 173.60 1kr3 s LEU 144 N -2.08 0.55 -0.35 2.42 2.96 -0.11 -4.96 118.68 117.11 1kr3 s LEU 144 Ca -0.06 0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.75 1kr3 s LEU 144 Cb -0.02 -0.20 -0.00 0.00 0.50 0.00 0.00 46.19 46.46 1kr3 s LEU 144 CO -0.05 -0.19 0.22 -0.89 -1.32 0.00 0.00 176.35 174.12 1kr3 s THR 145 N 1.77 4.99 -0.17 3.68 2.01 -1.26 -0.90 115.64 125.76 1kr3 s THR 145 Ca 0.00 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.50 1kr3 s THR 145 Cb -0.12 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1kr3 s THR 145 CO -0.03 -0.07 0.06 -0.69 -0.69 0.00 0.00 174.62 173.20 1kr3 s VAL 146 N 1.66 4.77 -0.28 3.82 1.01 0.11 -4.86 120.40 126.62 1kr3 s VAL 146 Ca 0.05 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1kr3 s VAL 146 Cb -0.18 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1kr3 s VAL 146 CO 0.09 0.49 0.12 -0.55 0.00 0.00 0.00 175.10 175.24 1kr3 s SER 147 N 0.17 5.41 -0.66 3.32 0.15 -1.26 0.06 113.70 120.88 1kr3 s SER 147 Ca 0.04 -0.36 -0.19 0.00 0.70 0.00 0.00 55.95 56.14 1kr3 s SER 147 Cb -0.12 -1.98 0.11 0.00 -1.71 0.00 0.00 66.02 62.32 1kr3 s SER 147 CO 0.01 -0.12 0.80 -0.22 1.20 0.00 0.00 173.24 174.91 1kr3 s LEU 148 N 1.62 5.27 -1.16 3.45 2.96 -0.79 -4.53 118.68 125.50 1kr3 s LEU 148 Ca 0.05 -1.52 -0.08 0.00 -0.22 0.00 0.00 54.13 52.37 1kr3 s LEU 148 Cb -0.16 -2.33 0.08 0.00 0.50 0.00 0.00 46.19 44.28 1kr3 s LEU 148 CO 0.05 -1.13 0.20 -0.67 -1.32 0.00 0.00 176.35 173.49 1kr3 n ASP 149 N 6.44 -0.29 0.00 3.68 2.03 -1.26 -1.85 116.55 125.30 1kr3 n ASP 149 Ca -0.03 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.43 1kr3 n ASP 149 Cb 0.44 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 1kr3 n ASP 149 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kr3 n GLY 150 N -1.48 3.23 3.66 0.27 0.00 -1.26 -4.91 105.19 104.71 1kr3 n GLY 150 Ca -0.07 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1kr3 n GLY 150 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1kr3 s MET 151 N 0.00 4.18 0.50 1.61 0.00 -0.77 -4.99 119.30 119.83 1kr3 s MET 151 Ca 0.00 2.21 -0.21 0.00 0.00 0.00 0.00 55.69 57.69 1kr3 s MET 151 Cb 0.00 -3.95 -0.07 0.00 0.00 0.00 0.00 34.83 30.81 1kr3 s MET 151 CO 0.00 -0.83 1.14 -1.25 0.00 0.00 0.00 175.02 174.08 1kr3 s PRO 152 N 3.89 3.56 -0.25 4.11 0.04 -1.26 -1.89 135.00 143.20 1kr3 s PRO 152 Ca 0.74 1.68 -0.02 0.00 0.04 0.00 0.00 61.00 63.44 1kr3 s PRO 152 Cb -0.34 -2.19 0.08 0.00 0.04 0.00 0.00 34.50 32.08 1kr3 s PRO 152 CO 0.30 -0.70 0.06 -0.51 0.04 0.00 0.00 177.00 176.20 1kr3 s LEU 153 N -3.43 1.58 -0.35 -3.56 1.43 0.11 -4.68 118.68 109.78 1kr3 s LEU 153 Ca 0.68 -1.20 -0.20 0.00 -1.03 0.00 0.00 54.13 52.38 1kr3 s LEU 153 Cb -0.26 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.26 1kr3 s LEU 153 CO 0.30 -0.36 0.63 -1.10 0.23 0.00 0.00 176.35 176.05 1kr3 s GLN 154 N 1.77 3.70 -0.18 1.70 -0.21 -0.47 -0.71 119.66 125.26 1kr3 s GLN 154 Ca 0.04 0.07 -0.07 0.00 0.02 0.00 0.00 55.36 55.42 1kr3 s GLN 154 Cb -0.17 -3.80 -0.04 0.00 1.00 0.00 0.00 33.01 30.00 1kr3 s GLN 154 CO -0.17 -0.71 0.04 0.00 -2.12 0.00 0.00 175.29 172.33 1kr3 s TYR 156 N 0.33 0.95 -0.31 0.00 1.51 -0.94 -0.94 117.35 117.95 1kr3 s TYR 156 Ca 0.02 -0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 55.73 1kr3 s TYR 156 Cb -0.13 -0.57 0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1kr3 s TYR 156 CO 0.01 -0.00 0.03 -0.47 -1.11 0.00 0.00 175.55 174.00 1kr3 s TYR 157 N -0.77 3.25 -1.51 2.71 5.04 -0.39 -1.92 117.35 123.76 1kr3 s TYR 157 Ca -0.00 -1.68 0.15 0.00 -2.44 0.00 0.00 57.07 53.09 1kr3 s TYR 157 Cb -0.07 -2.16 0.30 0.00 0.35 0.00 0.00 41.96 40.38 1kr3 s TYR 157 CO 0.01 -0.77 1.20 1.28 -1.34 0.00 0.00 175.55 175.93 1kr3 n LEU 158 N 4.69 2.87 0.00 6.97 4.77 -1.26 -4.89 117.00 130.15 1kr3 n LEU 158 Ca -0.13 -1.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.24 1kr3 n LEU 158 Cb 0.44 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1kr3 n LEU 158 CO 0.28 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1kr3 n GLY 159 N 0.87 3.10 3.82 -0.72 0.00 -1.26 -4.67 105.19 106.32 1kr3 n GLY 159 Ca 0.13 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 1kr3 n GLY 159 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kr3 s GLY 160 N 0.00 1.80 0.00 -0.02 0.00 -1.26 -4.76 107.32 103.07 1kr3 s GLY 160 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.88 1kr3 s GLY 160 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 173.10 174.17 1kr3 n GLY 161 N -1.76 1.97 0.37 0.20 0.00 -1.26 -3.26 105.19 101.45 1kr3 n GLY 161 Ca 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1kr3 n GLY 161 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1kr3 h HIS 162 N 0.00 1.10 -4.03 1.61 6.17 -1.88 0.73 115.15 118.84 1kr3 h HIS 162 Ca 0.00 0.03 -0.18 0.00 0.71 0.00 0.00 60.37 60.93 1kr3 h HIS 162 Cb 0.00 -0.36 -0.18 0.00 2.52 0.00 0.00 27.41 29.38 1kr3 h HIS 162 CO 0.00 0.62 -0.70 0.00 0.71 0.00 0.00 177.93 178.56 1kr3 s ALA 163 N -5.96 0.43 0.46 5.26 0.00 -1.26 -2.11 121.76 118.58 1kr3 s ALA 163 Ca -0.12 -0.90 0.12 0.00 0.00 0.00 0.00 51.96 51.06 1kr3 s ALA 163 Cb 0.19 0.17 1.04 0.00 0.00 0.00 0.00 23.12 24.52 1kr3 s ALA 163 CO 0.80 -0.20 2.08 1.79 0.00 0.00 0.00 175.76 180.23 1kr3 h THR 164 N 3.96 1.07 -0.01 0.00 1.35 -1.83 -3.11 112.91 114.34 1kr3 h THR 164 Ca -0.34 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1kr3 h THR 164 Cb 1.18 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1kr3 h THR 164 CO 0.51 0.08 -0.27 -0.90 -0.25 0.00 0.00 175.52 174.69 1kr3 n ASP 165 N -4.47 1.67 -4.69 5.36 3.85 -1.26 -4.25 116.55 112.75 1kr3 n ASP 165 Ca -0.00 -1.32 -0.44 0.00 -0.71 0.00 0.00 54.79 52.32 1kr3 n ASP 165 Cb 0.11 0.22 -0.03 0.00 -1.35 0.00 0.00 41.12 40.07 1kr3 n ASP 165 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1kr3 n ASN 166 N -0.09 3.23 -4.02 -1.12 2.04 -1.18 -4.77 115.26 109.35 1kr3 n ASN 166 Ca 0.12 1.11 -0.22 0.00 -0.44 0.00 0.00 54.58 55.15 1kr3 n ASN 166 Cb 0.42 -1.48 -0.03 0.00 -2.53 0.00 0.00 39.78 36.16 1kr3 n ASN 166 CO 0.00 0.00 0.00 2.30 -0.44 0.00 0.00 177.26 179.12 1kr3 n ILE 167 N 2.70 0.00 -4.15 1.53 -5.35 -0.95 -4.58 119.36 108.56 1kr3 n ILE 167 Ca 0.13 -1.70 -0.16 0.00 -0.27 0.00 0.00 62.75 60.75 1kr3 n ILE 167 Cb 0.32 0.15 -0.12 0.00 -1.74 0.00 0.00 39.64 38.25 1kr3 n ILE 167 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1kr3 s VAL 168 N -2.21 0.82 -0.16 7.28 -7.23 -0.81 -4.73 120.40 113.35 1kr3 s VAL 168 Ca 0.09 -1.07 -0.03 0.00 -1.81 0.00 0.00 61.98 59.16 1kr3 s VAL 168 Cb -0.01 -0.81 -0.02 0.00 0.56 0.00 0.00 36.38 36.10 1kr3 s VAL 168 CO 0.06 -0.23 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.88 1kr3 s VAL 169 N -1.16 3.66 -0.07 1.32 1.01 -0.85 -2.22 120.40 122.09 1kr3 s VAL 169 Ca -0.04 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1kr3 s VAL 169 Cb -0.09 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1kr3 s VAL 169 CO 0.01 0.48 -0.10 0.86 0.00 0.00 0.00 175.10 176.36 1kr3 s TRP 170 N 0.56 2.86 -0.55 5.22 -0.00 0.30 -1.08 118.94 126.24 1kr3 s TRP 170 Ca -0.04 -0.10 -0.03 0.00 -0.00 0.00 0.00 56.10 55.93 1kr3 s TRP 170 Cb -0.15 -1.71 0.14 0.00 -0.00 0.00 0.00 33.47 31.76 1kr3 s TRP 170 CO 0.03 0.22 0.36 -0.51 -0.00 0.00 0.00 176.95 177.05 1kr3 s LEU 171 N -0.62 5.21 0.54 5.86 1.43 -0.27 -1.37 118.68 129.45 1kr3 s LEU 171 Ca 0.09 -2.60 0.30 0.00 -1.03 0.00 0.00 54.13 50.89 1kr3 s LEU 171 Cb -0.11 -1.84 1.46 0.00 0.03 0.00 0.00 46.19 45.73 1kr3 s LEU 171 CO 0.02 -0.42 1.92 -0.65 0.23 0.00 0.00 176.35 177.44 1kr3 h PRO 172 N 7.33 0.00 -0.35 1.29 0.11 -1.87 0.87 132.00 139.39 1kr3 h PRO 172 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1kr3 h PRO 172 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1kr3 h PRO 172 CO 0.71 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.75 1kr3 n THR 173 N -4.23 0.44 -0.34 -1.15 -2.24 -1.26 -4.19 114.28 101.31 1kr3 n THR 173 Ca 0.15 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1kr3 n THR 173 Cb 0.84 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 70.08 1kr3 n THR 173 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1kr3 n GLU 174 N 1.44 0.92 -4.13 -0.78 -0.58 -0.81 -5.00 120.64 111.70 1kr3 n GLU 174 Ca 0.19 -0.07 -0.33 0.00 -0.42 0.00 0.00 57.16 56.53 1kr3 n GLU 174 Cb 0.60 -0.39 -0.02 0.00 -0.57 0.00 0.00 31.44 31.06 1kr3 n GLU 174 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1kr3 n ASN 175 N -0.15 -2.78 -4.37 1.62 3.02 0.24 -4.70 115.26 108.13 1kr3 n ASN 175 Ca 0.00 -0.98 -0.33 0.00 -0.03 0.00 0.00 54.58 53.24 1kr3 n ASN 175 Cb 0.09 -2.96 -0.14 0.00 -0.61 0.00 0.00 39.78 36.15 1kr3 n ASN 175 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kr3 s ILE 176 N -3.45 2.95 -0.19 2.41 1.01 -1.16 -0.87 121.20 121.90 1kr3 s ILE 176 Ca 0.56 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1kr3 s ILE 176 Cb -0.30 -2.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 1kr3 s ILE 176 CO 0.91 0.53 -0.11 -0.22 0.00 0.00 0.00 174.94 176.06 1kr3 s LEU 177 N 0.24 2.62 -0.52 2.97 2.96 -0.55 -1.12 118.68 125.28 1kr3 s LEU 177 Ca -0.09 -0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 53.17 1kr3 s LEU 177 Cb -0.16 -1.64 0.08 0.00 0.50 0.00 0.00 46.19 44.98 1kr3 s LEU 177 CO 0.06 0.01 0.57 0.12 -1.32 0.00 0.00 176.35 175.79 1kr3 s PHE 178 N 1.25 3.11 -0.28 5.38 5.36 -0.24 -1.34 117.98 131.22 1kr3 s PHE 178 Ca 0.03 -0.82 0.20 0.00 -0.96 0.00 0.00 56.93 55.39 1kr3 s PHE 178 Cb -0.14 -3.57 0.11 0.00 -0.34 0.00 0.00 43.02 39.08 1kr3 s PHE 178 CO -0.05 -1.03 1.29 0.78 -1.46 0.00 0.00 175.22 174.75 1kr3 h GLY 179 N 9.42 0.00 0.00 13.12 0.00 -0.40 -2.27 103.07 122.94 1kr3 h GLY 179 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1kr3 h GLY 179 CO 0.98 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.13 1kr3 n GLY 180 N 1.19 -1.41 0.00 4.60 0.00 -1.22 -3.91 105.19 104.44 1kr3 n GLY 180 Ca 0.00 -1.26 0.09 0.00 0.00 0.00 0.00 46.02 44.86 1kr3 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kr3 h MET 182 N 0.00 0.00 -5.36 0.00 -0.00 -1.94 -3.43 114.93 104.20 1kr3 h MET 182 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 59.70 59.07 1kr3 h MET 182 Cb 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 31.60 31.41 1kr3 h MET 182 CO 0.00 0.00 -0.63 -0.51 -0.00 0.00 0.00 176.91 175.77 1kr3 s LEU 183 N -5.96 3.47 0.23 -0.10 1.43 -0.79 -4.83 118.68 112.14 1kr3 s LEU 183 Ca 0.06 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1kr3 s LEU 183 Cb 0.07 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 1kr3 s LEU 183 CO 0.63 0.19 0.45 -0.54 0.23 0.00 0.00 176.35 177.32 1kr3 s LYS 184 N 0.23 3.56 0.40 1.70 3.01 -1.26 -3.81 119.74 123.56 1kr3 s LYS 184 Ca -0.00 -0.22 -0.14 0.00 -1.01 0.00 0.00 55.97 54.60 1kr3 s LYS 184 Cb -0.13 -2.77 -0.08 0.00 -1.01 0.00 0.00 37.83 33.83 1kr3 s LYS 184 CO 0.02 0.34 0.82 0.16 0.51 0.00 0.00 175.35 177.19 1kr3 s ASP 185 N -3.15 6.68 0.35 2.83 -4.77 -1.26 -4.75 116.67 112.61 1kr3 s ASP 185 Ca 0.40 1.33 0.11 0.00 -3.30 0.00 0.00 52.55 51.09 1kr3 s ASP 185 Cb -0.11 -2.40 0.58 0.00 -1.09 0.00 0.00 42.92 39.90 1kr3 s ASP 185 CO 0.29 -0.35 1.20 0.78 0.70 0.00 0.00 175.17 177.79 1kr3 h ASN 186 N 1.65 0.00 -0.35 2.11 2.35 -1.94 0.20 115.58 119.60 1kr3 h ASN 186 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1kr3 h ASN 186 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1kr3 h ASN 186 CO 0.64 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.42 1kr3 n GLN 187 N -2.04 2.28 -3.22 0.81 3.00 -1.26 -4.96 117.38 111.99 1kr3 n GLN 187 Ca -0.01 -2.04 -0.39 0.00 -0.01 0.00 0.00 57.00 54.55 1kr3 n GLN 187 Cb 0.44 -1.38 -0.06 0.00 0.00 0.00 0.00 30.24 29.24 1kr3 n GLN 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kr3 s ALA 188 N -1.15 3.49 -0.03 -1.58 0.00 0.68 -4.91 121.76 118.26 1kr3 s ALA 188 Ca 0.30 -0.22 0.18 0.00 0.00 0.00 0.00 51.96 52.22 1kr3 s ALA 188 Cb 0.17 -2.80 -0.27 0.00 0.00 0.00 0.00 23.12 20.22 1kr3 s ALA 188 CO 0.23 -0.25 0.38 0.25 0.00 0.00 0.00 175.76 176.37 1kr3 n THR 189 N 4.14 0.05 -3.63 0.00 -2.24 -1.26 -4.93 114.28 106.40 1kr3 n THR 189 Ca -0.04 -0.42 -0.33 0.00 -2.27 0.00 0.00 64.05 60.98 1kr3 n THR 189 Cb 0.51 0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.75 1kr3 n THR 189 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1kr3 s SER 190 N -4.10 6.56 0.24 3.42 0.15 -1.26 -4.99 113.70 113.72 1kr3 s SER 190 Ca -0.07 0.68 0.17 0.00 0.70 0.00 0.00 55.95 57.44 1kr3 s SER 190 Cb 0.11 -2.13 0.05 0.00 -1.71 0.00 0.00 66.02 62.34 1kr3 s SER 190 CO 0.74 0.12 1.29 -0.29 1.20 0.00 0.00 173.24 176.30 1kr3 h ILE 191 N 2.51 0.57 0.00 6.45 2.10 -1.94 -3.49 117.51 123.70 1kr3 h ILE 191 Ca -0.48 -1.86 0.00 0.00 1.08 0.00 0.00 64.86 63.60 1kr3 h ILE 191 Cb 1.18 2.18 0.00 0.00 -1.09 0.00 0.00 36.82 39.09 1kr3 h ILE 191 CO 0.69 0.32 0.00 0.61 -1.08 0.00 0.00 178.15 178.69 1kr3 n GLY 192 N 1.24 1.38 3.57 8.18 0.00 -1.26 -4.70 105.19 113.60 1kr3 n GLY 192 Ca -0.01 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 1kr3 n GLY 192 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kr3 s ASN 193 N -4.00 5.15 -0.51 1.61 2.47 -1.26 -4.86 114.94 113.54 1kr3 s ASN 193 Ca 0.00 -1.29 0.02 0.00 0.42 0.00 0.00 52.86 52.01 1kr3 s ASN 193 Cb 0.00 -2.58 0.59 0.00 -1.45 0.00 0.00 41.25 37.81 1kr3 s ASN 193 CO 0.00 -2.87 1.91 2.30 -3.72 0.00 0.00 177.10 174.72 1kr3 n ILE 194 N 7.78 3.29 0.16 -5.21 -5.35 -1.26 -4.66 119.36 114.11 1kr3 n ILE 194 Ca 0.43 -2.34 0.01 0.00 -0.27 0.00 0.00 62.75 60.58 1kr3 n ILE 194 Cb 0.47 -0.69 0.29 0.00 -1.74 0.00 0.00 39.64 37.97 1kr3 n ILE 194 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1kr3 h SER 195 N 1.34 0.05 0.00 7.28 0.02 -1.89 -3.12 113.55 117.23 1kr3 h SER 195 Ca 0.60 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.53 1kr3 h SER 195 Cb 2.13 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.65 1kr3 h SER 195 CO 1.21 0.48 0.00 0.47 -1.14 0.00 0.00 176.83 177.85 1kr3 n ASP 196 N -4.02 1.37 -4.70 3.07 8.00 -1.26 -5.07 116.55 113.94 1kr3 n ASP 196 Ca -0.02 -1.46 -0.33 0.00 0.71 0.00 0.00 54.79 53.70 1kr3 n ASP 196 Cb 0.46 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.70 1kr3 n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kr3 s ALA 197 N -0.46 1.80 -0.68 2.24 0.00 -0.90 -3.45 121.76 120.31 1kr3 s ALA 197 Ca 0.00 0.75 0.05 0.00 0.00 0.00 0.00 51.96 52.77 1kr3 s ALA 197 Cb 0.00 -3.47 0.20 0.00 0.00 0.00 0.00 23.12 19.85 1kr3 s ALA 197 CO 0.00 -2.33 0.59 -3.47 0.00 0.00 0.00 175.76 170.54 1kr3 n ASP 198 N -3.48 3.29 0.07 0.00 4.64 0.25 -4.84 116.55 116.49 1kr3 n ASP 198 Ca 0.13 -3.30 0.13 0.00 -1.38 0.00 0.00 54.79 50.37 1kr3 n ASP 198 Cb 0.51 -0.73 0.62 0.00 -1.04 0.00 0.00 41.12 40.48 1kr3 n ASP 198 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 1kr3 h VAL 199 N 3.95 0.88 -0.51 5.18 -1.51 -1.94 -1.05 116.25 121.24 1kr3 h VAL 199 Ca 0.17 -0.04 -0.03 0.00 -1.23 0.00 0.00 66.70 65.57 1kr3 h VAL 199 Cb 0.72 0.74 -0.02 0.00 -2.13 0.00 0.00 31.29 30.60 1kr3 h VAL 199 CO 0.76 0.02 0.21 0.74 -1.23 0.00 0.00 177.57 178.07 1kr3 h THR 200 N 0.12 1.19 0.04 7.19 2.02 -1.94 -3.15 112.91 118.38 1kr3 h THR 200 Ca 0.17 -0.59 -0.33 0.00 0.77 0.00 0.00 66.41 66.44 1kr3 h THR 200 Cb 0.51 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1kr3 h THR 200 CO -0.02 0.23 -1.88 0.00 0.37 0.00 0.00 175.52 174.22 1kr3 n ALA 201 N -2.46 1.28 -0.30 6.16 0.00 -0.84 -4.58 120.51 119.77 1kr3 n ALA 201 Ca 0.04 -0.75 0.01 0.00 0.00 0.00 0.00 53.44 52.74 1kr3 n ALA 201 Cb 0.16 -0.72 0.06 0.00 0.00 0.00 0.00 19.45 18.94 1kr3 n ALA 201 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1kr3 n TRP 202 N -3.18 0.10 0.00 0.00 -0.00 -0.46 0.54 117.44 114.44 1kr3 n TRP 202 Ca -0.24 0.98 0.02 0.00 -0.00 0.00 0.00 57.50 58.26 1kr3 n TRP 202 Cb 1.06 -0.85 0.36 0.00 -0.00 0.00 0.00 31.31 31.88 1kr3 n TRP 202 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1kr3 h PRO 203 N 0.00 0.53 0.01 5.87 0.11 -1.81 -1.93 132.00 134.78 1kr3 h PRO 203 Ca 0.31 -0.07 -0.23 0.00 0.11 0.00 0.00 66.00 66.12 1kr3 h PRO 203 Cb 0.51 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1kr3 h PRO 203 CO -0.80 0.46 -0.97 0.87 -0.21 0.00 0.00 178.00 177.35 1kr3 h LYS 204 N 0.53 0.40 -0.58 1.05 1.57 -0.18 -3.22 116.57 116.14 1kr3 h LYS 204 Ca 0.13 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1kr3 h LYS 204 Cb 0.15 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1kr3 h LYS 204 CO -0.01 1.12 0.28 1.15 -0.57 0.00 0.00 179.45 181.42 1kr3 h THR 205 N 0.22 1.21 -0.91 -0.16 2.02 -0.97 -2.88 112.91 111.43 1kr3 h THR 205 Ca -0.08 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1kr3 h THR 205 Cb 1.61 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 1kr3 h THR 205 CO 0.17 0.24 0.53 -0.07 0.37 0.00 0.00 175.52 176.75 1kr3 h LEU 206 N 0.79 1.12 -0.75 2.58 3.38 -1.39 -1.94 115.31 119.10 1kr3 h LEU 206 Ca 0.20 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1kr3 h LEU 206 Cb 0.11 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1kr3 h LEU 206 CO -0.03 0.88 0.47 0.44 0.09 0.00 0.00 178.44 180.29 1kr3 h ASP 207 N 1.27 0.76 0.34 -0.43 3.32 -1.55 -1.14 116.42 118.98 1kr3 h ASP 207 Ca 0.33 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 1kr3 h ASP 207 Cb -0.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1kr3 h ASP 207 CO -0.06 0.52 -0.22 0.11 -1.72 0.00 0.00 179.24 177.87 1kr3 h LYS 208 N 0.90 0.00 -0.08 3.56 1.57 -1.16 -0.30 116.57 121.06 1kr3 h LYS 208 Ca 0.31 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.95 1kr3 h LYS 208 Cb 0.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1kr3 h LYS 208 CO -0.13 0.22 -0.50 0.28 -0.57 0.00 0.00 179.45 178.74 1kr3 h VAL 209 N 0.00 1.38 -0.17 0.50 2.07 -0.63 -2.53 116.25 116.87 1kr3 h VAL 209 Ca -0.00 -1.86 -0.11 0.00 0.82 0.00 0.00 66.70 65.55 1kr3 h VAL 209 Cb 0.44 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1kr3 h VAL 209 CO 0.03 0.55 -0.38 0.07 0.02 0.00 0.00 177.57 177.86 1kr3 h LYS 210 N 0.06 0.36 -0.28 1.57 2.10 -0.81 -2.02 116.57 117.56 1kr3 h LYS 210 Ca -0.04 -0.16 -0.17 0.00 -2.00 0.00 0.00 60.65 58.28 1kr3 h LYS 210 Cb 1.16 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1kr3 h LYS 210 CO 0.10 0.69 -0.50 0.00 -2.00 0.00 0.00 179.45 177.74 1kr3 h ALA 211 N 1.30 0.60 0.00 0.07 0.00 -1.11 -3.25 119.26 116.86 1kr3 h ALA 211 Ca 0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1kr3 h ALA 211 Cb 0.80 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1kr3 h ALA 211 CO 0.06 0.68 -0.51 0.87 0.00 0.00 0.00 179.25 180.36 1kr3 h LYS 212 N 0.60 0.00 -2.12 0.00 1.57 -1.24 -3.38 116.57 112.01 1kr3 h LYS 212 Ca 0.03 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.24 1kr3 h LYS 212 Cb 1.07 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.98 1kr3 h LYS 212 CO 0.11 0.51 -0.87 1.19 -0.57 0.00 0.00 179.45 179.82 1kr3 n PHE 213 N -3.40 1.91 0.01 -1.35 3.01 -0.78 -4.89 117.46 111.97 1kr3 n PHE 213 Ca 0.01 -3.89 -0.05 0.00 1.01 0.00 0.00 57.45 54.53 1kr3 n PHE 213 Cb 0.65 -0.46 0.17 0.00 -0.01 0.00 0.00 39.48 39.83 1kr3 n PHE 213 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1kr3 h PRO 214 N 3.67 0.50 -0.30 -1.08 0.13 -1.75 -3.18 132.00 129.99 1kr3 h PRO 214 Ca 0.13 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1kr3 h PRO 214 Cb 0.75 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1kr3 h PRO 214 CO 0.66 0.75 0.00 -1.13 -0.23 0.00 0.00 178.00 178.05 1kr3 n SER 215 N -4.09 1.26 -4.70 1.44 3.41 -1.26 -4.95 113.62 104.73 1kr3 n SER 215 Ca -0.01 -2.04 -0.43 0.00 -0.26 0.00 0.00 58.87 56.14 1kr3 n SER 215 Cb 0.44 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 1kr3 n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kr3 n ALA 216 N 0.11 2.44 -0.06 7.33 0.00 -1.20 -4.89 120.51 124.23 1kr3 n ALA 216 Ca 0.07 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 1kr3 n ALA 216 Cb 0.22 -2.55 -0.09 0.00 0.00 0.00 0.00 19.45 17.03 1kr3 n ALA 216 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1kr3 h ARG 217 N 7.57 -0.01 -6.61 0.00 2.43 -1.28 -3.40 114.38 113.08 1kr3 h ARG 217 Ca -0.45 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.03 1kr3 h ARG 217 Cb 1.21 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 30.53 1kr3 h ARG 217 CO 0.95 0.67 -0.83 0.71 -1.51 0.00 0.00 179.97 179.97 1kr3 s TYR 218 N -2.09 2.49 -0.11 2.20 1.51 -1.16 -4.51 117.35 115.68 1kr3 s TYR 218 Ca -0.13 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.61 1kr3 s TYR 218 Cb -0.02 -1.45 0.04 0.00 -0.11 0.00 0.00 41.96 40.41 1kr3 s TYR 218 CO 0.48 0.20 0.01 0.08 -1.11 0.00 0.00 175.55 175.21 1kr3 s VAL 219 N -0.87 0.45 -0.19 0.71 1.01 0.41 -1.48 120.40 120.44 1kr3 s VAL 219 Ca 0.13 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1kr3 s VAL 219 Cb -0.10 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1kr3 s VAL 219 CO 0.04 0.11 0.04 -0.69 0.00 0.00 0.00 175.10 174.60 1kr3 s VAL 220 N 1.93 4.44 0.51 2.92 1.01 -0.45 -1.17 120.40 129.58 1kr3 s VAL 220 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1kr3 s VAL 220 Cb -0.14 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1kr3 s VAL 220 CO -0.06 0.45 0.73 -2.16 0.00 0.00 0.00 175.10 174.06 1kr3 s PRO 221 N 0.61 2.78 0.42 2.72 0.04 -1.26 0.35 135.00 140.66 1kr3 s PRO 221 Ca 0.02 -0.63 0.17 0.00 0.04 0.00 0.00 61.00 60.59 1kr3 s PRO 221 Cb -0.13 -2.51 0.94 0.00 0.04 0.00 0.00 34.50 32.83 1kr3 s PRO 221 CO 0.02 -0.52 1.91 0.78 0.04 0.00 0.00 177.00 179.23 1kr3 h GLY 222 N 0.20 0.00 -5.82 0.56 0.00 -1.17 -3.42 103.07 93.42 1kr3 h GLY 222 Ca -0.44 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.68 1kr3 h GLY 222 CO 0.55 0.00 -0.54 0.30 0.00 0.00 0.00 176.54 176.85 1kr3 s HIS 223 N -4.26 -0.20 0.00 5.60 3.76 -1.26 -1.65 115.29 117.27 1kr3 s HIS 223 Ca -0.03 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.41 1kr3 s HIS 223 Cb 0.14 0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.84 1kr3 s HIS 223 CO 0.69 -0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.84 1kr3 n GLY 224 N 3.64 -2.46 3.78 -2.22 0.00 -1.26 -4.04 105.19 102.63 1kr3 n GLY 224 Ca -0.20 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.35 1kr3 n GLY 224 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kr3 s ASP 225 N -2.13 6.11 0.73 1.61 1.01 -1.26 -4.79 116.67 117.96 1kr3 s ASP 225 Ca 0.00 2.12 -0.03 0.00 0.71 0.00 0.00 52.55 55.35 1kr3 s ASP 225 Cb 0.00 -2.58 0.13 0.00 1.01 0.00 0.00 42.92 41.48 1kr3 s ASP 225 CO 0.00 -0.95 0.86 0.00 0.21 0.00 0.00 175.17 175.29 1kr3 n TYR 226 N -0.89 -3.20 0.00 4.23 0.18 -1.26 -4.62 117.16 111.60 1kr3 n TYR 226 Ca 0.09 -1.35 0.00 0.00 1.88 0.00 0.00 57.90 58.52 1kr3 n TYR 226 Cb 0.51 -0.64 0.00 0.00 -0.38 0.00 0.00 39.34 38.83 1kr3 n TYR 226 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1kr3 n GLY 227 N -1.39 -0.85 0.00 -7.48 0.00 -0.32 -4.97 105.19 90.18 1kr3 n GLY 227 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1kr3 n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kr3 n GLY 228 N 0.00 3.01 0.10 -0.02 0.00 -1.26 0.15 105.19 107.17 1kr3 n GLY 228 Ca 0.00 -2.15 0.05 0.00 0.00 0.00 0.00 46.02 43.92 1kr3 n GLY 228 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kr3 n THR 229 N -0.53 1.03 0.52 2.61 -2.24 -1.26 -2.55 114.28 111.85 1kr3 n THR 229 Ca 0.00 0.65 0.09 0.00 -2.27 0.00 0.00 64.05 62.53 1kr3 n THR 229 Cb 0.00 -1.65 0.40 0.00 -2.10 0.00 0.00 70.33 66.97 1kr3 n THR 229 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1kr3 n GLU 230 N -1.84 0.07 0.19 -0.78 0.00 -1.26 -2.19 120.64 114.82 1kr3 n GLU 230 Ca -0.01 0.28 0.07 0.00 0.00 0.00 0.00 57.16 57.50 1kr3 n GLU 230 Cb 0.19 -1.63 0.31 0.00 0.00 0.00 0.00 31.44 30.31 1kr3 n GLU 230 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1kr3 h LEU 231 N 0.00 0.00 -0.06 -1.84 3.38 -1.82 -1.30 115.31 113.67 1kr3 h LEU 231 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1kr3 h LEU 231 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1kr3 h LEU 231 CO 0.00 0.32 -0.00 0.40 0.09 0.00 0.00 178.44 179.25 1kr3 h ILE 232 N 0.00 1.26 -0.59 1.22 2.04 -1.69 -1.44 117.51 118.31 1kr3 h ILE 232 Ca -0.00 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 64.96 1kr3 h ILE 232 Cb 0.96 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1kr3 h ILE 232 CO 0.04 0.22 0.01 -0.08 0.00 0.00 0.00 178.15 178.34 1kr3 h GLU 233 N -0.19 1.03 -0.83 2.37 4.57 -1.64 -0.52 114.58 119.36 1kr3 h GLU 233 Ca 0.02 -0.32 0.06 0.00 -1.18 0.00 0.00 59.36 57.93 1kr3 h GLU 233 Cb 0.35 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.79 1kr3 h GLU 233 CO 0.00 1.01 0.51 1.25 -1.18 0.00 0.00 179.01 180.61 1kr3 h HIS 234 N 0.93 0.95 -0.18 0.92 2.76 -1.19 -2.53 115.15 116.80 1kr3 h HIS 234 Ca 0.17 0.03 -0.21 0.00 -2.20 0.00 0.00 60.37 58.15 1kr3 h HIS 234 Cb 0.54 -0.31 0.01 0.00 1.55 0.00 0.00 27.41 29.20 1kr3 h HIS 234 CO 0.04 0.49 -0.72 1.15 -1.30 0.00 0.00 177.93 177.59 1kr3 h THR 235 N 0.94 1.28 -0.48 6.26 2.02 -0.90 -2.64 112.91 119.40 1kr3 h THR 235 Ca 0.36 -1.92 0.13 0.00 0.77 0.00 0.00 66.41 65.75 1kr3 h THR 235 Cb 0.15 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1kr3 h THR 235 CO -0.17 0.61 0.34 0.50 0.37 0.00 0.00 175.52 177.18 1kr3 h LYS 236 N 0.56 0.06 0.16 6.66 3.64 -0.74 -2.39 116.57 124.52 1kr3 h LYS 236 Ca -0.04 -0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.11 1kr3 h LYS 236 Cb 1.34 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1kr3 h LYS 236 CO 0.15 0.04 -1.02 1.96 -2.27 0.00 0.00 179.45 178.31 1kr3 h GLN 237 N 0.06 0.35 -0.74 1.90 4.20 -1.30 -1.97 115.11 117.62 1kr3 h GLN 237 Ca 0.23 -0.59 0.09 0.00 0.06 0.00 0.00 58.65 58.43 1kr3 h GLN 237 Cb 0.83 0.22 -0.05 0.00 0.30 0.00 0.00 27.48 28.79 1kr3 h GLN 237 CO -0.02 1.28 0.48 0.82 -0.67 0.00 0.00 178.83 180.73 1kr3 h ILE 238 N -0.25 0.96 0.05 2.54 2.04 -1.18 -0.41 117.51 121.26 1kr3 h ILE 238 Ca -0.18 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1kr3 h ILE 238 Cb 1.77 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1kr3 h ILE 238 CO 0.17 0.12 -0.02 0.58 0.00 0.00 0.00 178.15 179.00 1kr3 h VAL 239 N 0.67 0.45 -0.87 1.67 2.07 -1.52 -2.50 116.25 116.23 1kr3 h VAL 239 Ca 0.33 -1.26 0.22 0.00 0.82 0.00 0.00 66.70 66.81 1kr3 h VAL 239 Cb 0.41 0.84 -0.13 0.00 -1.52 0.00 0.00 31.29 30.90 1kr3 h VAL 239 CO -0.12 0.15 0.33 0.78 0.02 0.00 0.00 177.57 178.73 1kr3 h ASN 240 N -1.00 0.21 -0.31 0.57 -0.26 -1.24 0.55 115.58 114.10 1kr3 h ASN 240 Ca -0.01 0.16 0.05 0.00 -0.56 0.00 0.00 56.30 55.94 1kr3 h ASN 240 Cb 0.29 0.17 -0.04 0.00 -1.06 0.00 0.00 38.32 37.68 1kr3 h ASN 240 CO 0.01 -0.04 0.03 -0.61 -1.06 0.00 0.00 177.43 175.76 1kr3 h GLN 241 N 0.34 0.13 -0.79 0.81 4.15 -1.15 -1.23 115.11 117.38 1kr3 h GLN 241 Ca 0.54 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.94 1kr3 h GLN 241 Cb 1.03 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.65 1kr3 h GLN 241 CO -0.55 0.08 0.44 -0.92 -1.93 0.00 0.00 178.83 175.95 1kr3 h TYR 242 N 0.13 1.07 -0.73 3.99 3.20 0.46 0.32 116.97 125.40 1kr3 h TYR 242 Ca 0.15 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1kr3 h TYR 242 Cb 0.18 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 1kr3 h TYR 242 CO -0.20 0.74 0.39 0.82 -1.64 0.00 0.00 178.16 178.27 1kr3 h ILE 243 N 1.10 1.23 0.04 1.81 2.04 0.18 -2.94 117.51 120.97 1kr3 h ILE 243 Ca 0.28 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1kr3 h ILE 243 Cb 0.02 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1kr3 h ILE 243 CO -0.05 0.26 -0.02 -0.33 0.00 0.00 0.00 178.15 178.01 1kr3 h GLU 244 N 1.01 -0.05 0.00 2.37 3.07 -0.80 -2.15 114.58 118.04 1kr3 h GLU 244 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1kr3 h GLU 244 Cb 0.06 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1kr3 h GLU 244 CO -0.04 0.60 0.08 -1.13 -1.40 0.00 0.00 179.01 177.12 1kr3 n SER 245 N -4.78 0.00 0.00 1.42 3.41 0.11 -2.31 113.62 111.47 1kr3 n SER 245 Ca -0.09 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1kr3 n SER 245 Cb 0.33 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1kr3 n SER 245 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1kr3 n THR 246 N -1.37 0.00 0.00 6.66 -2.24 -1.11 -5.06 114.28 111.15 1kr3 n THR 246 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1kr3 n THR 246 Cb 0.08 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1kr3 n THR 246 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26