#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kr3 s VAL 22 N 0.00 0.00 -0.15 2.46 0.11 0.13 -4.97 120.40 117.98 1kr3 s VAL 22 Ca 0.00 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 1kr3 s VAL 22 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1kr3 s VAL 22 CO 0.00 0.00 0.19 -0.75 -3.33 0.00 0.00 175.10 171.21 1kr3 s LYS 23 N -2.36 3.98 -0.01 1.54 2.20 -1.26 0.61 119.74 124.44 1kr3 s LYS 23 Ca -0.00 -0.07 0.16 0.00 -0.36 0.00 0.00 55.97 55.70 1kr3 s LYS 23 Cb -0.01 -3.35 -0.20 0.00 -1.51 0.00 0.00 37.83 32.77 1kr3 s LYS 23 CO -0.04 0.44 0.61 0.44 -0.36 0.00 0.00 175.35 176.44 1kr3 n ILE 24 N 3.00 0.00 -3.90 5.43 -5.35 -0.05 -4.96 119.36 113.53 1kr3 n ILE 24 Ca -0.16 -0.19 -0.03 0.00 -0.27 0.00 0.00 62.75 62.10 1kr3 n ILE 24 Cb 0.53 0.75 0.02 0.00 -1.74 0.00 0.00 39.64 39.20 1kr3 n ILE 24 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1kr3 s SER 25 N -2.94 0.02 0.19 7.28 1.04 -1.13 -4.95 113.70 113.21 1kr3 s SER 25 Ca 0.03 -0.71 -0.12 0.00 0.48 0.00 0.00 55.95 55.62 1kr3 s SER 25 Cb 0.12 0.51 0.18 0.00 0.10 0.00 0.00 66.02 66.93 1kr3 s SER 25 CO 0.68 -1.02 1.77 0.44 0.98 0.00 0.00 173.24 176.09 1kr3 h ASP 26 N 2.00 0.29 0.08 7.02 3.32 -2.01 -3.11 116.42 124.01 1kr3 h ASP 26 Ca -0.28 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1kr3 h ASP 26 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1kr3 h ASP 26 CO 0.37 0.19 -0.61 -0.90 -1.72 0.00 0.00 179.24 176.57 1kr3 n ASP 27 N -4.94 1.38 -4.19 6.45 5.75 -1.26 -4.94 116.55 114.80 1kr3 n ASP 27 Ca 0.06 -1.12 -0.29 0.00 -0.01 0.00 0.00 54.79 53.43 1kr3 n ASP 27 Cb 0.18 0.57 -0.16 0.00 -1.03 0.00 0.00 41.12 40.68 1kr3 n ASP 27 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1kr3 s ILE 28 N -2.71 1.74 0.03 2.12 1.01 -1.18 -0.36 121.20 121.86 1kr3 s ILE 28 Ca 0.15 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.99 1kr3 s ILE 28 Cb 0.18 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1kr3 s ILE 28 CO 0.67 0.49 -0.18 -0.44 0.00 0.00 0.00 174.94 175.48 1kr3 s SER 29 N 0.07 2.13 -0.05 3.58 0.01 -0.37 -0.87 113.70 118.19 1kr3 s SER 29 Ca -0.07 -0.46 0.06 0.00 1.31 0.00 0.00 55.95 56.79 1kr3 s SER 29 Cb -0.14 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.90 1kr3 s SER 29 CO 0.04 0.13 -0.25 -0.51 0.41 0.00 0.00 173.24 173.07 1kr3 s ILE 30 N -0.73 2.02 -0.05 1.44 1.10 0.20 -1.17 121.20 124.01 1kr3 s ILE 30 Ca 0.06 -1.05 0.02 0.00 -0.51 0.00 0.00 60.65 59.16 1kr3 s ILE 30 Cb -0.08 -1.71 0.02 0.00 0.15 0.00 0.00 42.46 40.84 1kr3 s ILE 30 CO 0.01 0.56 -0.09 -0.89 -2.11 0.00 0.00 174.94 172.42 1kr3 s THR 31 N -0.19 0.88 -0.21 4.00 2.01 0.29 0.20 115.64 122.61 1kr3 s THR 31 Ca -0.03 -0.33 -0.17 0.00 0.31 0.00 0.00 61.69 61.48 1kr3 s THR 31 Cb -0.13 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1kr3 s THR 31 CO 0.03 0.30 0.45 -1.58 -0.69 0.00 0.00 174.62 173.13 1kr3 s GLN 32 N 0.74 4.15 -0.15 4.92 0.74 -1.26 0.93 119.66 129.73 1kr3 s GLN 32 Ca -0.13 0.26 -0.12 0.00 0.05 0.00 0.00 55.36 55.42 1kr3 s GLN 32 Cb -0.15 -3.57 -0.24 0.00 1.10 0.00 0.00 33.01 30.15 1kr3 s GLN 32 CO 0.02 -0.13 0.34 -0.07 -0.55 0.00 0.00 175.29 174.90 1kr3 h LEU 33 N 7.96 0.29 0.00 3.68 3.38 -1.39 -3.45 115.31 125.78 1kr3 h LEU 33 Ca -0.34 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 56.83 1kr3 h LEU 33 Cb 1.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1kr3 h LEU 33 CO 0.72 1.73 0.00 -1.54 0.09 0.00 0.00 178.44 179.44 1kr3 n SER 34 N -3.82 0.00 0.24 -0.43 3.41 -1.14 -5.02 113.62 106.86 1kr3 n SER 34 Ca -0.31 -0.86 0.15 0.00 -0.26 0.00 0.00 58.87 57.58 1kr3 n SER 34 Cb 0.92 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 65.39 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 0.00 0.00 -0.01 4.04 5.19 -2.01 -3.28 116.42 120.36 1kr3 h ASP 35 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1kr3 h ASP 35 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1kr3 h ASP 35 CO 0.00 0.00 -0.11 0.29 -3.12 0.00 0.00 179.24 176.30 1kr3 n LYS 36 N -2.96 1.65 -4.20 3.56 5.02 -1.26 -4.88 118.16 115.09 1kr3 n LYS 36 Ca 0.02 -0.63 -0.21 0.00 -2.02 0.00 0.00 58.31 55.47 1kr3 n LYS 36 Cb 0.36 -1.04 -0.16 0.00 -0.02 0.00 0.00 35.03 34.17 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 -0.98 0.60 0.08 -0.18 1.01 -1.24 -0.08 120.40 119.62 1kr3 s VAL 37 Ca 0.07 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1kr3 s VAL 37 Cb 0.06 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1kr3 s VAL 37 CO 0.16 0.24 -0.22 -0.31 0.00 0.00 0.00 175.10 174.96 1kr3 s TYR 38 N 0.90 1.94 -0.01 5.22 1.51 0.16 -0.93 117.35 126.14 1kr3 s TYR 38 Ca -0.11 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.61 1kr3 s TYR 38 Cb -0.14 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1kr3 s TYR 38 CO 0.00 0.18 -0.20 -0.08 -1.11 0.00 0.00 175.55 174.35 1kr3 s THR 39 N -0.98 2.62 0.20 -0.71 -1.32 0.26 -1.01 115.64 114.70 1kr3 s THR 39 Ca 0.09 -0.99 0.11 0.00 -1.21 0.00 0.00 61.69 59.69 1kr3 s THR 39 Cb -0.10 -2.01 -0.04 0.00 -1.51 0.00 0.00 72.50 68.84 1kr3 s THR 39 CO 0.03 0.52 -0.23 -0.72 -2.21 0.00 0.00 174.62 172.01 1kr3 s TYR 40 N -0.74 2.32 -0.08 9.09 -0.85 -0.51 -0.55 117.35 126.02 1kr3 s TYR 40 Ca 0.12 -0.35 0.01 0.00 -0.52 0.00 0.00 57.07 56.33 1kr3 s TYR 40 Cb -0.10 -1.13 0.02 0.00 0.38 0.00 0.00 41.96 41.13 1kr3 s TYR 40 CO 0.01 0.53 -0.09 0.08 -1.52 0.00 0.00 175.55 174.56 1kr3 s VAL 41 N -1.79 0.97 -0.09 -3.49 1.01 -0.31 -1.85 120.40 114.85 1kr3 s VAL 41 Ca 0.22 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1kr3 s VAL 41 Cb -0.08 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1kr3 s VAL 41 CO 0.11 0.33 -0.22 -0.94 0.00 0.00 0.00 175.10 174.39 1kr3 s SER 42 N 1.11 3.33 -0.19 3.32 1.04 -0.33 -1.24 113.70 120.74 1kr3 s SER 42 Ca -0.07 -0.47 -0.11 0.00 0.48 0.00 0.00 55.95 55.78 1kr3 s SER 42 Cb -0.14 -1.19 -0.05 0.00 0.10 0.00 0.00 66.02 64.74 1kr3 s SER 42 CO -0.01 0.21 0.18 -0.76 0.98 0.00 0.00 173.24 173.83 1kr3 s LEU 43 N 0.07 4.21 0.17 2.42 1.43 0.52 -1.45 118.68 126.05 1kr3 s LEU 43 Ca -0.09 0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1kr3 s LEU 43 Cb -0.15 -2.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 1kr3 s LEU 43 CO 0.06 0.15 0.28 0.00 0.23 0.00 0.00 176.35 177.06 1kr3 s ALA 44 N 0.45 0.13 -0.01 4.21 0.00 -1.12 -4.80 121.76 120.61 1kr3 s ALA 44 Ca 0.10 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 50.84 1kr3 s ALA 44 Cb -0.12 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 23.88 1kr3 s ALA 44 CO 0.00 -0.65 0.71 -1.21 0.00 0.00 0.00 175.76 174.60 1kr3 s GLU 45 N -3.99 4.44 -0.10 0.00 0.41 -1.26 -2.28 118.70 115.91 1kr3 s GLU 45 Ca 0.20 0.93 -0.00 0.00 -0.41 0.00 0.00 54.97 55.68 1kr3 s GLU 45 Cb 0.03 -3.40 0.02 0.00 -1.78 0.00 0.00 34.13 29.01 1kr3 s GLU 45 CO 0.02 0.20 -0.08 0.42 -0.49 0.00 0.00 175.26 175.34 1kr3 s ILE 46 N 0.29 1.00 -0.62 -1.63 1.01 -0.82 -5.00 121.20 115.43 1kr3 s ILE 46 Ca 0.37 -0.29 -0.32 0.00 0.00 0.00 0.00 60.65 60.40 1kr3 s ILE 46 Cb -0.19 -1.01 -0.15 0.00 0.01 0.00 0.00 42.46 41.12 1kr3 s ILE 46 CO 0.20 0.36 2.42 -1.84 0.00 0.00 0.00 174.94 176.08 1kr3 n GLU 47 N 4.80 0.59 0.00 2.79 -0.00 -1.26 -0.54 120.64 127.02 1kr3 n GLU 47 Ca -0.14 0.09 0.00 0.00 -0.00 0.00 0.00 57.16 57.11 1kr3 n GLU 47 Cb 0.50 -2.29 0.00 0.00 -0.00 0.00 0.00 31.44 29.65 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 6.49 0.91 0.00 -1.84 0.00 -1.26 -4.91 105.19 104.57 1kr3 n GLY 48 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.87 0.00 -0.81 1.61 8.01 0.29 -5.12 117.44 120.56 1kr3 n TRP 49 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1kr3 n TRP 49 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1kr3 n TRP 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1kr3 n GLY 50 N 2.24 0.51 3.48 6.99 0.00 -0.98 -4.63 105.19 112.79 1kr3 n GLY 50 Ca 0.00 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1kr3 n GLY 50 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kr3 s MET 51 N 0.00 3.62 -0.21 1.61 -1.94 -1.26 -1.95 119.30 119.17 1kr3 s MET 51 Ca 0.00 -1.65 -0.06 0.00 -1.71 0.00 0.00 55.69 52.27 1kr3 s MET 51 Cb 0.00 -5.03 -0.03 0.00 2.01 0.00 0.00 34.83 31.78 1kr3 s MET 51 CO 0.00 -1.87 0.04 0.14 -0.01 0.00 0.00 175.02 173.31 1kr3 s VAL 52 N 3.17 4.24 0.03 -6.03 -7.23 -0.97 -4.93 120.40 108.69 1kr3 s VAL 52 Ca 0.36 -0.21 -0.26 0.00 -1.81 0.00 0.00 61.98 60.06 1kr3 s VAL 52 Cb -0.04 -2.94 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 1kr3 s VAL 52 CO -0.09 0.40 0.82 -2.16 -0.31 0.00 0.00 175.10 173.76 1kr3 s PRO 53 N 1.08 4.53 -0.06 4.82 0.04 -1.26 -2.77 135.00 141.37 1kr3 s PRO 53 Ca 0.03 1.15 0.04 0.00 0.04 0.00 0.00 61.00 62.26 1kr3 s PRO 53 Cb -0.14 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 1kr3 s PRO 53 CO 0.02 0.20 -0.18 -1.12 0.04 0.00 0.00 177.00 175.96 1kr3 s SER 54 N 0.21 3.66 -0.01 6.66 0.01 -0.53 -4.48 113.70 119.22 1kr3 s SER 54 Ca 0.41 -0.34 -0.04 0.00 1.31 0.00 0.00 55.95 57.29 1kr3 s SER 54 Cb -0.21 -0.95 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 1kr3 s SER 54 CO 0.24 0.28 0.21 0.20 0.41 0.00 0.00 173.24 174.58 1kr3 s ASN 55 N -0.34 6.41 0.29 2.44 0.01 -0.13 -1.18 114.94 122.44 1kr3 s ASN 55 Ca 0.03 0.43 0.03 0.00 -0.71 0.00 0.00 52.86 52.63 1kr3 s ASN 55 Cb -0.12 -2.04 -0.03 0.00 0.41 0.00 0.00 41.25 39.47 1kr3 s ASN 55 CO 0.02 0.26 0.26 -0.83 -1.51 0.00 0.00 177.10 175.31 1kr3 s GLY 56 N -1.81 1.91 0.01 0.66 0.00 -0.77 -4.89 107.32 102.42 1kr3 s GLY 56 Ca 0.27 -1.86 0.02 0.00 0.00 0.00 0.00 44.72 43.15 1kr3 s GLY 56 CO 0.17 -1.37 -0.07 1.06 0.00 0.00 0.00 173.10 172.89 1kr3 s MET 57 N -3.63 0.55 -0.19 2.90 -1.94 0.45 -1.43 119.30 116.01 1kr3 s MET 57 Ca 0.38 -0.35 -0.01 0.00 -1.71 0.00 0.00 55.69 54.01 1kr3 s MET 57 Cb 0.03 -0.50 0.01 0.00 2.01 0.00 0.00 34.83 36.39 1kr3 s MET 57 CO 0.22 0.13 -0.15 0.42 -0.01 0.00 0.00 175.02 175.63 1kr3 s ILE 58 N -0.40 2.51 -0.15 2.53 1.01 -0.18 -0.66 121.20 125.86 1kr3 s ILE 58 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 1kr3 s ILE 58 Cb -0.04 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 1kr3 s ILE 58 CO -0.00 0.50 -0.08 -0.69 0.00 0.00 0.00 174.94 174.67 1kr3 s VAL 59 N 1.34 3.48 0.11 2.92 1.01 -0.65 -0.67 120.40 127.94 1kr3 s VAL 59 Ca 0.05 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1kr3 s VAL 59 Cb -0.13 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1kr3 s VAL 59 CO -0.09 0.50 -0.09 -0.63 0.00 0.00 0.00 175.10 174.79 1kr3 s ILE 60 N 0.45 3.44 -0.30 2.22 1.01 0.89 0.00 121.20 128.91 1kr3 s ILE 60 Ca -0.06 -1.27 -0.19 0.00 0.00 0.00 0.00 60.65 59.13 1kr3 s ILE 60 Cb -0.15 -2.62 0.19 0.00 0.01 0.00 0.00 42.46 39.89 1kr3 s ILE 60 CO 0.04 0.09 1.26 0.21 0.00 0.00 0.00 174.94 176.53 1kr3 s ASN 61 N -2.30 -0.11 -1.43 3.58 2.47 0.09 -4.77 114.94 112.47 1kr3 s ASN 61 Ca 0.22 0.16 -0.04 0.00 0.42 0.00 0.00 52.86 53.62 1kr3 s ASN 61 Cb -0.11 1.12 0.00 0.00 -1.45 0.00 0.00 41.25 40.81 1kr3 s ASN 61 CO 0.15 -0.02 0.30 0.59 -3.72 0.00 0.00 177.10 174.39 1kr3 n ASN 62 N 4.38 -0.36 -0.87 -4.21 3.02 -1.26 -1.12 115.26 114.83 1kr3 n ASN 62 Ca -0.08 -1.13 -0.11 0.00 -0.03 0.00 0.00 54.58 53.22 1kr3 n ASN 62 Cb 0.55 -2.41 -0.05 0.00 -0.61 0.00 0.00 39.78 37.26 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 -4.51 0.00 -4.52 3.10 8.25 -1.26 -5.00 115.22 111.28 1kr3 n HIS 63 Ca -0.29 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 56.90 1kr3 n HIS 63 Cb 0.68 -2.25 -0.10 0.00 1.12 0.00 0.00 29.99 29.43 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 -2.85 1.92 -0.21 -0.41 -0.21 -0.28 -1.17 119.66 116.46 1kr3 s GLN 64 Ca 0.00 -1.97 -0.18 0.00 0.02 0.00 0.00 55.36 53.23 1kr3 s GLN 64 Cb 0.00 -1.73 0.06 0.00 1.00 0.00 0.00 33.01 32.34 1kr3 s GLN 64 CO 0.00 0.06 0.55 0.00 -2.12 0.00 0.00 175.29 173.78 1kr3 s ALA 65 N -2.63 -1.38 -0.03 6.09 0.00 -0.20 -0.73 121.76 122.88 1kr3 s ALA 65 Ca 0.34 1.61 -0.03 0.00 0.00 0.00 0.00 51.96 53.88 1kr3 s ALA 65 Cb 0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1kr3 s ALA 65 CO 0.18 -0.27 0.16 0.00 0.00 0.00 0.00 175.76 175.83 1kr3 s ALA 66 N 0.45 3.88 -0.14 0.00 0.00 0.10 -2.29 121.76 123.77 1kr3 s ALA 66 Ca -0.01 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1kr3 s ALA 66 Cb -0.04 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.24 1kr3 s ALA 66 CO -0.01 0.71 -0.19 -1.17 0.00 0.00 0.00 175.76 175.10 1kr3 s LEU 67 N -1.73 1.98 -0.39 0.00 2.96 0.06 -1.64 118.68 119.92 1kr3 s LEU 67 Ca 0.24 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 1kr3 s LEU 67 Cb -0.12 -1.34 0.06 0.00 0.50 0.00 0.00 46.19 45.29 1kr3 s LEU 67 CO 0.15 0.05 0.21 -0.76 -1.32 0.00 0.00 176.35 174.68 1kr3 s LEU 68 N 0.96 4.90 0.16 -0.68 1.43 0.17 -1.85 118.68 123.76 1kr3 s LEU 68 Ca -0.05 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.67 1kr3 s LEU 68 Cb -0.15 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1kr3 s LEU 68 CO -0.04 -0.47 0.00 0.47 0.23 0.00 0.00 176.35 176.55 1kr3 n ASP 69 N 4.88 -2.30 -4.59 2.29 9.92 -0.95 -0.41 116.55 125.38 1kr3 n ASP 69 Ca -0.10 0.51 -0.26 0.00 -0.53 0.00 0.00 54.79 54.40 1kr3 n ASP 69 Cb 0.44 -0.65 -0.10 0.00 -0.64 0.00 0.00 41.12 40.16 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 -4.37 2.22 0.88 -3.53 -4.23 0.63 -4.53 115.64 102.71 1kr3 s THR 70 Ca 0.00 -2.08 -0.12 0.00 -1.18 0.00 0.00 61.69 58.32 1kr3 s THR 70 Cb 0.00 -2.80 0.12 0.00 1.34 0.00 0.00 72.50 71.16 1kr3 s THR 70 CO 0.00 -0.12 1.09 -2.84 -0.54 0.00 0.00 174.62 172.21 1kr3 s PRO 71 N -3.67 1.38 0.00 3.99 0.02 -1.26 -4.22 135.00 131.24 1kr3 s PRO 71 Ca 0.34 0.76 0.03 0.00 0.02 0.00 0.00 61.00 62.15 1kr3 s PRO 71 Cb 0.05 -1.83 0.15 0.00 0.02 0.00 0.00 34.50 32.89 1kr3 s PRO 71 CO 0.18 -2.14 0.99 0.44 -0.33 0.00 0.00 177.00 176.14 1kr3 n ILE 72 N -3.81 1.31 -4.01 2.83 -6.64 -1.26 -3.17 119.36 104.61 1kr3 n ILE 72 Ca 0.07 0.33 -0.11 0.00 -1.77 0.00 0.00 62.75 61.26 1kr3 n ILE 72 Cb 0.56 -1.27 -0.04 0.00 -1.44 0.00 0.00 39.64 37.45 1kr3 n ILE 72 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 1kr3 s ASN 73 N -2.73 0.35 0.32 7.28 2.20 -1.26 -4.45 114.94 116.64 1kr3 s ASN 73 Ca 0.02 -1.20 0.01 0.00 -0.94 0.00 0.00 52.86 50.75 1kr3 s ASN 73 Cb 0.02 0.66 0.52 0.00 -2.00 0.00 0.00 41.25 40.45 1kr3 s ASN 73 CO 0.05 -1.28 1.91 0.44 -2.94 0.00 0.00 177.10 175.28 1kr3 h ASP 74 N 2.16 0.73 -0.42 3.54 3.32 -1.86 -2.64 116.42 121.23 1kr3 h ASP 74 Ca -0.28 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 1kr3 h ASP 74 Cb 1.25 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1kr3 h ASP 74 CO 0.38 0.64 -0.05 0.00 -1.72 0.00 0.00 179.24 178.48 1kr3 h ALA 75 N 1.47 0.58 -0.17 3.45 0.00 -1.97 -0.47 119.26 122.14 1kr3 h ALA 75 Ca 0.19 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1kr3 h ALA 75 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1kr3 h ALA 75 CO -0.02 0.42 -0.38 1.96 0.00 0.00 0.00 179.25 181.23 1kr3 h GLN 76 N 0.61 0.56 -0.98 0.00 4.20 -1.95 -2.68 115.11 114.87 1kr3 h GLN 76 Ca 0.11 -0.37 0.04 0.00 0.06 0.00 0.00 58.65 58.50 1kr3 h GLN 76 Cb 0.57 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.34 1kr3 h GLN 76 CO 0.03 0.99 0.64 1.15 -0.67 0.00 0.00 178.83 180.97 1kr3 h THR 77 N 0.21 1.15 -0.51 -0.54 2.02 -1.39 -0.05 112.91 113.80 1kr3 h THR 77 Ca 0.00 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1kr3 h THR 77 Cb 0.98 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1kr3 h THR 77 CO 0.08 0.22 0.31 -0.08 0.37 0.00 0.00 175.52 176.42 1kr3 h GLU 78 N 1.21 0.68 0.36 6.66 4.81 -1.02 -2.40 114.58 124.89 1kr3 h GLU 78 Ca 0.40 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1kr3 h GLU 78 Cb 0.05 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1kr3 h GLU 78 CO -0.13 0.49 -0.33 0.52 -0.73 0.00 0.00 179.01 178.83 1kr3 h MET 79 N 0.68 -0.66 -0.99 1.92 2.86 -0.76 -1.52 114.93 116.46 1kr3 h MET 79 Ca 0.18 0.04 0.14 0.00 -2.06 0.00 0.00 59.70 58.01 1kr3 h MET 79 Cb -0.02 0.15 -0.15 0.00 0.06 0.00 0.00 31.60 31.64 1kr3 h MET 79 CO -0.03 -0.44 -0.42 1.25 1.06 0.00 0.00 176.91 178.32 1kr3 h LEU 80 N -0.68 -1.56 -0.31 1.22 5.85 -1.05 -1.74 115.31 117.03 1kr3 h LEU 80 Ca -0.05 0.31 0.01 0.00 0.84 0.00 0.00 57.88 59.00 1kr3 h LEU 80 Cb 0.59 0.79 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 1kr3 h LEU 80 CO -0.03 -0.28 0.18 0.58 -0.34 0.00 0.00 178.44 178.56 1kr3 h VAL 81 N -0.01 1.04 0.00 1.05 2.07 -1.25 -2.11 116.25 117.05 1kr3 h VAL 81 Ca 0.31 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 1kr3 h VAL 81 Cb 0.57 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1kr3 h VAL 81 CO -0.98 0.07 -0.28 0.78 0.02 0.00 0.00 177.57 177.18 1kr3 h ASN 82 N 0.38 0.00 -0.05 0.57 2.35 -0.47 -2.61 115.58 115.74 1kr3 h ASN 82 Ca 0.12 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.70 1kr3 h ASN 82 Cb -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1kr3 h ASN 82 CO -0.06 0.28 -0.60 -0.25 -1.65 0.00 0.00 177.43 175.16 1kr3 h TRP 83 N 0.00 0.83 -0.18 1.19 7.01 -1.00 -1.64 115.95 122.16 1kr3 h TRP 83 Ca -0.00 -0.31 -0.06 0.00 2.11 0.00 0.00 58.89 60.62 1kr3 h TRP 83 Cb 0.53 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 1kr3 h TRP 83 CO 0.00 1.09 -0.15 0.28 -2.79 0.00 0.00 178.44 176.86 1kr3 h VAL 84 N 0.49 1.20 0.24 2.65 2.07 -1.02 0.69 116.25 122.57 1kr3 h VAL 84 Ca -0.00 -0.91 -0.31 0.00 0.82 0.00 0.00 66.70 66.29 1kr3 h VAL 84 Cb 1.17 1.24 0.04 0.00 -1.52 0.00 0.00 31.29 32.21 1kr3 h VAL 84 CO 0.12 0.29 -1.37 0.71 0.02 0.00 0.00 177.57 177.34 1kr3 h THR 85 N 0.28 1.32 -0.19 2.57 1.35 -1.44 -2.00 112.91 114.80 1kr3 h THR 85 Ca 0.05 -2.67 -0.11 0.00 -0.55 0.00 0.00 66.41 63.14 1kr3 h THR 85 Cb 0.44 3.08 -0.00 0.00 -1.73 0.00 0.00 68.15 69.94 1kr3 h THR 85 CO 0.03 0.79 -0.30 0.44 -0.25 0.00 0.00 175.52 176.23 1kr3 h ASP 86 N 0.05 0.59 0.00 5.36 3.45 -1.01 -1.79 116.42 123.07 1kr3 h ASP 86 Ca -0.24 -0.53 -0.23 0.00 0.43 0.00 0.00 57.03 56.46 1kr3 h ASP 86 Cb 2.08 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 40.65 1kr3 h ASP 86 CO 0.26 1.00 -1.33 -1.20 -1.57 0.00 0.00 179.24 176.40 1kr3 n SER 87 N -4.35 1.87 -0.29 6.45 7.64 0.21 -4.25 113.62 120.90 1kr3 n SER 87 Ca -0.06 0.43 0.14 0.00 1.01 0.00 0.00 58.87 60.40 1kr3 n SER 87 Cb 0.47 -0.94 0.66 0.00 -1.01 0.00 0.00 64.21 63.39 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 -4.43 0.89 -4.25 -3.43 4.77 -0.96 -4.94 117.00 104.65 1kr3 n LEU 88 Ca -0.32 -0.31 -0.30 0.00 -0.03 0.00 0.00 56.01 55.04 1kr3 n LEU 88 Cb 0.66 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.66 1kr3 n LEU 88 CO 0.16 0.16 -0.43 1.41 -1.33 0.00 0.00 177.39 177.36 1kr3 n HIS 89 N -0.29 -1.33 -4.22 -1.77 8.25 -0.67 -4.89 115.22 110.30 1kr3 n HIS 89 Ca 0.20 0.62 -0.14 0.00 -0.26 0.00 0.00 57.72 58.14 1kr3 n HIS 89 Cb 0.25 -2.96 -0.10 0.00 1.12 0.00 0.00 29.99 28.29 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 -4.29 1.32 -0.09 -1.41 0.00 -0.91 -4.74 121.76 111.64 1kr3 s ALA 90 Ca 0.02 -1.39 -0.00 0.00 0.00 0.00 0.00 51.96 50.58 1kr3 s ALA 90 Cb -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1kr3 s ALA 90 CO 0.98 -0.09 -0.07 0.21 0.00 0.00 0.00 175.76 176.80 1kr3 s LYS 91 N -3.48 3.01 -0.31 0.00 2.20 -0.31 -3.10 119.74 117.73 1kr3 s LYS 91 Ca 0.13 -0.55 -0.27 0.00 -0.36 0.00 0.00 55.97 54.92 1kr3 s LYS 91 Cb 0.01 -2.67 0.01 0.00 -1.51 0.00 0.00 37.83 33.68 1kr3 s LYS 91 CO -0.00 0.54 0.98 0.08 -0.36 0.00 0.00 175.35 176.58 1kr3 s VAL 92 N -0.47 4.61 -0.03 4.02 1.01 -1.26 -1.04 120.40 127.24 1kr3 s VAL 92 Ca 0.07 1.55 0.03 0.00 0.00 0.00 0.00 61.98 63.63 1kr3 s VAL 92 Cb -0.12 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 1kr3 s VAL 92 CO 0.02 -0.40 0.02 0.35 0.00 0.00 0.00 175.10 175.09 1kr3 n THR 93 N 5.74 0.23 -4.92 3.92 -2.24 -0.97 -4.77 114.28 111.27 1kr3 n THR 93 Ca 0.09 -0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.41 1kr3 n THR 93 Cb 0.47 -0.75 -0.14 0.00 -2.10 0.00 0.00 70.33 67.81 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 -2.11 2.43 -0.04 4.28 2.01 -1.17 -0.26 115.64 120.77 1kr3 s THR 94 Ca -0.02 -1.19 -0.01 0.00 0.31 0.00 0.00 61.69 60.78 1kr3 s THR 94 Cb 0.01 -1.95 0.03 0.00 0.01 0.00 0.00 72.50 70.61 1kr3 s THR 94 CO 0.16 0.43 0.09 0.12 -0.69 0.00 0.00 174.62 174.72 1kr3 s PHE 95 N -0.79 -0.06 -0.19 4.92 2.19 -0.46 -0.76 117.98 122.83 1kr3 s PHE 95 Ca 0.12 0.31 -0.01 0.00 0.33 0.00 0.00 56.93 57.68 1kr3 s PHE 95 Cb -0.10 -0.17 0.05 0.00 -1.31 0.00 0.00 43.02 41.49 1kr3 s PHE 95 CO 0.02 -0.13 -0.02 0.42 1.83 0.00 0.00 175.22 177.34 1kr3 s ILE 96 N 1.17 0.96 0.14 3.12 1.01 -0.77 0.69 121.20 127.52 1kr3 s ILE 96 Ca -0.09 -0.72 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 1kr3 s ILE 96 Cb -0.12 -1.29 -0.07 0.00 0.01 0.00 0.00 42.46 40.99 1kr3 s ILE 96 CO -0.04 -0.05 0.59 -2.16 0.00 0.00 0.00 174.94 173.27 1kr3 s PRO 97 N 1.67 4.09 0.27 2.79 0.04 -1.25 -2.25 135.00 140.36 1kr3 s PRO 97 Ca -0.01 0.63 -0.02 0.00 0.04 0.00 0.00 61.00 61.64 1kr3 s PRO 97 Cb -0.17 -3.01 0.35 0.00 0.04 0.00 0.00 34.50 31.72 1kr3 s PRO 97 CO -0.07 0.51 1.77 -0.97 0.04 0.00 0.00 177.00 178.28 1kr3 h ASN 98 N 3.80 0.76 -2.30 6.66 -0.73 -1.93 -3.45 115.58 118.39 1kr3 h ASN 98 Ca -0.49 -0.17 0.25 0.00 1.87 0.00 0.00 56.30 57.76 1kr3 h ASN 98 Cb 1.20 -0.20 -0.05 0.00 0.27 0.00 0.00 38.32 39.54 1kr3 h ASN 98 CO 0.65 0.81 0.74 0.00 -0.37 0.00 0.00 177.43 179.25 1kr3 n HIS 99 N -4.23 -0.85 0.27 0.67 1.44 -1.26 -2.10 115.22 109.16 1kr3 n HIS 99 Ca 0.03 -0.97 0.16 0.00 -2.01 0.00 0.00 57.72 54.93 1kr3 n HIS 99 Cb 0.28 0.46 0.81 0.00 0.12 0.00 0.00 29.99 31.66 1kr3 n HIS 99 CO 0.00 0.00 0.00 0.11 -2.81 0.00 0.00 176.34 173.64 1kr3 h TRP 100 N 1.97 0.00 -4.26 -1.40 5.08 -1.91 -3.40 115.95 112.02 1kr3 h TRP 100 Ca -0.24 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.21 1kr3 h TRP 100 Cb 1.16 0.00 0.18 0.00 -3.00 0.00 0.00 29.16 27.50 1kr3 h TRP 100 CO 0.00 0.00 0.27 -1.01 -1.28 0.00 0.00 178.44 176.42 1kr3 s HIS 101 N -3.74 1.84 0.28 0.12 3.76 -1.26 -4.70 115.29 111.60 1kr3 s HIS 101 Ca -0.02 1.73 0.34 0.00 -0.15 0.00 0.00 55.06 56.96 1kr3 s HIS 101 Cb 0.09 -3.32 1.55 0.00 1.11 0.00 0.00 32.58 32.02 1kr3 s HIS 101 CO 0.34 -2.61 2.06 0.78 -0.85 0.00 0.00 174.74 174.46 1kr3 h GLY 102 N -1.51 0.00 -1.78 -2.22 0.00 -1.93 -1.41 103.07 94.22 1kr3 h GLY 102 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1kr3 h GLY 102 CO 0.44 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.07 1kr3 n ASP 103 N -3.22 2.52 0.06 0.19 5.75 -1.26 -1.72 116.55 118.88 1kr3 n ASP 103 Ca -0.01 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 1kr3 n ASP 103 Cb 0.26 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 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 -3.28 1.69 -0.29 0.00 -5.35 -0.65 -0.27 119.36 111.20 1kr3 n ILE 105 Ca 0.00 -1.18 0.10 0.00 -0.27 0.00 0.00 62.75 61.40 1kr3 n ILE 105 Cb 0.00 0.19 0.24 0.00 -1.74 0.00 0.00 39.64 38.33 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 4.03 1.14 -1.80 3.28 0.00 -1.49 -2.49 103.07 105.73 1kr3 h GLY 106 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1kr3 h GLY 106 CO 0.19 -0.36 0.00 0.61 0.00 0.00 0.00 176.54 176.98 1kr3 n GLY 107 N -1.42 0.94 0.53 4.60 0.00 -1.19 -4.21 105.19 104.45 1kr3 n GLY 107 Ca 0.19 -0.62 0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 4.12 0.00 -0.67 0.99 5.85 -1.76 0.10 115.31 123.95 1kr3 h LEU 108 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1kr3 h LEU 108 Cb 0.89 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1kr3 h LEU 108 CO 0.00 0.00 0.32 1.23 -0.34 0.00 0.00 178.44 179.65 1kr3 h GLY 109 N 0.00 1.03 1.23 3.75 0.00 -1.82 -2.15 103.07 105.11 1kr3 h GLY 109 Ca 0.54 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 1kr3 h GLY 109 CO -0.01 0.49 0.21 -1.82 0.00 0.00 0.00 176.54 175.42 1kr3 h TYR 110 N 0.92 1.00 0.00 5.60 3.20 -1.16 -2.67 116.97 123.87 1kr3 h TYR 110 Ca 0.23 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1kr3 h TYR 110 Cb 0.13 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 1kr3 h TYR 110 CO 0.00 0.79 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.20 1kr3 h LEU 111 N 0.95 0.00 0.09 2.82 3.38 -1.36 -2.86 115.31 118.33 1kr3 h LEU 111 Ca 0.21 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.91 1kr3 h LEU 111 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1kr3 h LEU 111 CO -0.01 0.04 -1.22 1.56 0.09 0.00 0.00 178.44 178.90 1kr3 h GLN 112 N 0.00 0.37 -0.59 1.13 4.20 -1.05 -1.29 115.11 117.87 1kr3 h GLN 112 Ca -0.00 -0.56 0.02 0.00 0.06 0.00 0.00 58.65 58.17 1kr3 h GLN 112 Cb 0.64 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 1kr3 h GLN 112 CO 0.01 1.24 0.39 0.00 -0.67 0.00 0.00 178.83 179.80 1kr3 h ARG 113 N 0.13 0.73 -0.53 1.46 2.47 -1.38 -2.15 114.38 115.12 1kr3 h ARG 113 Ca -0.15 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 1kr3 h ARG 113 Cb 1.92 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 30.07 1kr3 h ARG 113 CO 0.21 0.49 0.00 1.63 0.56 0.00 0.00 179.97 182.85 1kr3 n LYS 114 N -4.46 2.34 -1.02 0.04 5.02 -1.10 -4.96 118.16 114.03 1kr3 n LYS 114 Ca 0.06 -1.85 -0.01 0.00 -2.02 0.00 0.00 58.31 54.50 1kr3 n LYS 114 Cb 0.08 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.19 0.48 3.75 0.72 0.00 -0.81 -5.02 105.19 105.50 1kr3 n GLY 115 Ca 0.17 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.98 3.17 -0.20 1.61 1.01 -0.50 -5.00 120.40 118.51 1kr3 s VAL 116 Ca 0.00 1.01 -0.25 0.00 0.00 0.00 0.00 61.98 62.74 1kr3 s VAL 116 Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1kr3 s VAL 116 CO 0.00 0.18 0.85 -1.10 0.00 0.00 0.00 175.10 175.02 1kr3 s GLN 117 N -0.54 4.26 -0.09 2.72 -1.52 0.65 -4.73 119.66 120.40 1kr3 s GLN 117 Ca 0.54 1.02 0.00 0.00 -1.95 0.00 0.00 55.36 54.97 1kr3 s GLN 117 Cb -0.36 -3.60 -0.03 0.00 -0.22 0.00 0.00 33.01 28.80 1kr3 s GLN 117 CO 0.41 -0.41 -0.08 -1.54 -0.25 0.00 0.00 175.29 173.42 1kr3 s SER 118 N 1.22 4.51 0.07 5.90 1.04 -1.26 -1.35 113.70 123.83 1kr3 s SER 118 Ca 0.38 -0.10 0.09 0.00 0.48 0.00 0.00 55.95 56.80 1kr3 s SER 118 Cb -0.16 -1.26 -0.03 0.00 0.10 0.00 0.00 66.02 64.66 1kr3 s SER 118 CO 0.10 0.31 -0.24 -0.31 0.98 0.00 0.00 173.24 174.09 1kr3 s TYR 119 N -0.49 2.05 0.02 5.02 1.51 0.22 -2.60 117.35 123.08 1kr3 s TYR 119 Ca 0.07 -0.39 -0.28 0.00 -1.01 0.00 0.00 57.07 55.46 1kr3 s TYR 119 Cb -0.12 -1.18 0.10 0.00 -0.11 0.00 0.00 41.96 40.64 1kr3 s TYR 119 CO 0.02 0.17 0.89 0.00 -1.11 0.00 0.00 175.55 175.53 1kr3 s ALA 120 N -0.92 -1.80 0.18 3.71 0.00 0.07 -3.78 121.76 119.22 1kr3 s ALA 120 Ca 0.10 0.87 -0.33 0.00 0.00 0.00 0.00 51.96 52.60 1kr3 s ALA 120 Cb -0.10 0.46 -0.13 0.00 0.00 0.00 0.00 23.12 23.35 1kr3 s ALA 120 CO 0.03 -0.74 1.59 -1.71 0.00 0.00 0.00 175.76 174.93 1kr3 n ASN 121 N -0.28 3.25 -0.30 0.00 5.15 -1.26 -2.11 115.26 119.70 1kr3 n ASN 121 Ca -0.09 1.08 0.19 0.00 -0.60 0.00 0.00 54.58 55.17 1kr3 n ASN 121 Cb 0.62 -1.46 0.47 0.00 -0.53 0.00 0.00 39.78 38.88 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 5.92 0.46 -0.82 1.20 5.75 -0.93 0.16 115.11 126.86 1kr3 h GLN 122 Ca -0.45 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.05 1kr3 h GLN 122 Cb 1.25 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.64 1kr3 h GLN 122 CO 0.89 0.30 0.53 0.52 -2.65 0.00 0.00 178.83 178.42 1kr3 h MET 123 N 0.47 1.01 -0.87 1.69 2.86 -1.88 0.47 114.93 118.69 1kr3 h MET 123 Ca 0.54 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 58.17 1kr3 h MET 123 Cb 1.24 -0.23 -0.06 0.00 0.06 0.00 0.00 31.60 32.62 1kr3 h MET 123 CO -0.26 0.67 0.55 1.15 1.06 0.00 0.00 176.91 180.08 1kr3 h THR 124 N 1.04 1.09 -0.36 2.22 2.02 -1.24 -1.89 112.91 115.79 1kr3 h THR 124 Ca 0.32 -0.35 -0.16 0.00 0.77 0.00 0.00 66.41 66.99 1kr3 h THR 124 Cb -0.03 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 1kr3 h THR 124 CO -0.10 0.19 -0.40 0.40 0.37 0.00 0.00 175.52 175.98 1kr3 h ILE 125 N 1.03 1.28 0.21 3.11 2.04 -0.89 -0.56 117.51 123.73 1kr3 h ILE 125 Ca 0.37 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 1kr3 h ILE 125 Cb 0.10 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1kr3 h ILE 125 CO -0.15 0.52 -0.10 0.44 0.00 0.00 0.00 178.15 178.86 1kr3 h ASP 126 N 0.71 -0.23 -0.01 1.72 3.32 -0.73 -2.55 116.42 118.65 1kr3 h ASP 126 Ca 0.06 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1kr3 h ASP 126 Cb 0.98 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1kr3 h ASP 126 CO 0.09 -0.13 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.31 1kr3 h LEU 127 N -0.32 -0.31 -1.54 1.55 3.38 -1.26 -2.90 115.31 113.91 1kr3 h LEU 127 Ca -0.03 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1kr3 h LEU 127 Cb 0.24 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1kr3 h LEU 127 CO 0.05 -0.15 0.45 0.00 0.09 0.00 0.00 178.44 178.87 1kr3 h ALA 128 N 0.81 1.94 -0.26 1.53 0.00 -1.09 -2.34 119.26 119.85 1kr3 h ALA 128 Ca 0.04 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1kr3 h ALA 128 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1kr3 h ALA 128 CO -0.12 -0.09 -0.51 -0.22 0.00 0.00 0.00 179.25 178.31 1kr3 h LYS 129 N 0.51 0.75 0.00 0.00 3.64 -1.26 0.27 116.57 120.48 1kr3 h LYS 129 Ca 0.31 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1kr3 h LYS 129 Cb 0.53 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1kr3 h LYS 129 CO -0.10 1.08 -0.26 -0.85 -2.27 0.00 0.00 179.45 177.05 1kr3 n GLU 130 N -4.00 0.22 -0.67 1.90 0.28 -0.93 -3.14 120.64 114.30 1kr3 n GLU 130 Ca -0.03 0.13 0.09 0.00 -0.16 0.00 0.00 57.16 57.18 1kr3 n GLU 130 Cb 0.60 -1.71 0.36 0.00 1.43 0.00 0.00 31.44 32.13 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 -2.07 3.98 -2.32 3.44 5.02 -0.92 -4.96 118.16 120.33 1kr3 n LYS 131 Ca 0.05 -2.95 -0.20 0.00 -2.02 0.00 0.00 58.31 53.19 1kr3 n LYS 131 Cb 0.42 -1.97 -0.02 0.00 -0.02 0.00 0.00 35.03 33.44 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 0.94 -0.25 3.91 0.72 0.00 -1.12 -5.00 105.19 104.38 1kr3 n GLY 132 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 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 -5.88 4.21 0.28 0.99 1.43 0.94 -5.03 118.68 115.62 1kr3 s LEU 133 Ca 0.00 0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 1kr3 s LEU 133 Cb 0.00 -2.80 -0.14 0.00 0.03 0.00 0.00 46.19 43.28 1kr3 s LEU 133 CO 0.00 0.07 1.09 -0.81 0.23 0.00 0.00 176.35 176.93 1kr3 n PRO 134 N -0.40 1.48 -3.90 1.29 -0.04 -1.26 -4.37 135.00 127.79 1kr3 n PRO 134 Ca -0.07 0.52 -0.36 0.00 -0.04 0.00 0.00 63.50 63.55 1kr3 n PRO 134 Cb 0.54 -1.95 -0.12 0.00 -0.04 0.00 0.00 33.50 31.93 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 -0.90 4.26 0.35 0.52 1.01 -1.26 -4.89 120.40 119.49 1kr3 s VAL 135 Ca 0.60 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 1kr3 s VAL 135 Cb -0.70 -2.96 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 1kr3 s VAL 135 CO 0.59 0.38 1.49 -2.84 0.00 0.00 0.00 175.10 174.72 1kr3 s PRO 136 N 1.24 4.15 0.00 2.72 0.02 -1.26 -4.92 135.00 136.94 1kr3 s PRO 136 Ca 0.04 2.52 0.27 0.00 0.02 0.00 0.00 61.00 63.85 1kr3 s PRO 136 Cb -0.15 -3.00 0.91 0.00 0.02 0.00 0.00 34.50 32.29 1kr3 s PRO 136 CO 0.03 -0.51 1.66 -0.85 -0.33 0.00 0.00 177.00 177.00 1kr3 n GLU 137 N 0.95 1.51 -4.43 5.54 0.00 -1.22 -4.80 120.64 118.20 1kr3 n GLU 137 Ca 0.03 -0.92 -0.23 0.00 0.00 0.00 0.00 57.16 56.03 1kr3 n GLU 137 Cb 0.39 -1.48 -0.17 0.00 0.00 0.00 0.00 31.44 30.19 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 -2.12 1.23 0.32 -1.84 3.76 -1.07 -5.05 115.29 110.51 1kr3 s HIS 138 Ca 0.34 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 54.84 1kr3 s HIS 138 Cb 0.20 -0.95 -0.05 0.00 1.11 0.00 0.00 32.58 32.90 1kr3 s HIS 138 CO 0.38 -0.26 0.10 0.20 -0.85 0.00 0.00 174.74 174.31 1kr3 s GLY 139 N 0.78 2.06 0.17 -2.22 0.00 -1.26 -0.75 107.32 106.10 1kr3 s GLY 139 Ca -0.13 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 42.68 1kr3 s GLY 139 CO 0.02 -1.71 0.34 -0.11 0.00 0.00 0.00 173.10 171.64 1kr3 s PHE 140 N -3.48 0.22 -0.02 1.90 -0.12 -0.90 -4.87 117.98 110.71 1kr3 s PHE 140 Ca 0.34 -0.58 -0.04 0.00 -0.05 0.00 0.00 56.93 56.60 1kr3 s PHE 140 Cb 0.07 0.07 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1kr3 s PHE 140 CO 0.15 -0.76 -0.08 0.25 -0.05 0.00 0.00 175.22 174.73 1kr3 n THR 141 N -0.24 0.59 0.00 -4.49 -2.24 -1.26 -0.22 114.28 106.42 1kr3 n THR 141 Ca -0.09 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1kr3 n THR 141 Cb 0.63 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 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 -3.15 0.00 -3.91 3.42 4.64 -1.26 -4.66 116.55 111.63 1kr3 n ASP 142 Ca -0.03 0.09 -0.12 0.00 -1.38 0.00 0.00 54.79 53.35 1kr3 n ASP 142 Cb 0.12 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.13 1kr3 n ASP 142 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 1kr3 s SER 143 N -1.19 0.36 -0.20 1.67 1.04 -1.26 -2.12 113.70 112.00 1kr3 s SER 143 Ca 0.00 -1.32 -0.25 0.00 0.48 0.00 0.00 55.95 54.86 1kr3 s SER 143 Cb 0.00 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.69 1kr3 s SER 143 CO 0.00 -1.02 0.68 -0.22 0.98 0.00 0.00 173.24 173.66 1kr3 s LEU 144 N -3.15 -0.61 -0.15 2.42 2.96 -0.79 -4.96 118.68 114.40 1kr3 s LEU 144 Ca 0.33 1.20 -0.04 0.00 -0.22 0.00 0.00 54.13 55.40 1kr3 s LEU 144 Cb 0.03 2.38 -0.03 0.00 0.50 0.00 0.00 46.19 49.08 1kr3 s LEU 144 CO 0.14 -0.33 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.93 1kr3 s THR 145 N -0.05 4.11 -0.08 3.68 2.01 -1.26 -1.38 115.64 122.68 1kr3 s THR 145 Ca -0.03 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1kr3 s THR 145 Cb -0.04 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 1kr3 s THR 145 CO 0.03 0.51 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.66 1kr3 s VAL 146 N 0.16 3.23 -0.24 3.82 1.01 0.73 -4.91 120.40 124.20 1kr3 s VAL 146 Ca -0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 1kr3 s VAL 146 Cb -0.13 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1kr3 s VAL 146 CO 0.02 0.57 0.20 -0.55 0.00 0.00 0.00 175.10 175.34 1kr3 s SER 147 N -0.41 6.15 -1.01 3.32 0.15 -1.26 -0.68 113.70 119.95 1kr3 s SER 147 Ca 0.05 0.15 -0.11 0.00 0.70 0.00 0.00 55.95 56.74 1kr3 s SER 147 Cb -0.12 -2.13 0.25 0.00 -1.71 0.00 0.00 66.02 62.31 1kr3 s SER 147 CO 0.02 0.02 0.99 -0.22 1.20 0.00 0.00 173.24 175.26 1kr3 s LEU 148 N 1.22 6.45 -1.11 3.45 2.96 0.85 -4.63 118.68 127.87 1kr3 s LEU 148 Ca 0.09 -3.22 -0.25 0.00 -0.22 0.00 0.00 54.13 50.53 1kr3 s LEU 148 Cb -0.14 -2.22 0.03 0.00 0.50 0.00 0.00 46.19 44.36 1kr3 s LEU 148 CO 0.06 -0.42 0.67 -0.67 -1.32 0.00 0.00 176.35 174.67 1kr3 n ASP 149 N 3.31 -4.45 0.00 3.68 2.03 -1.26 -0.94 116.55 118.92 1kr3 n ASP 149 Ca 0.20 -1.19 0.00 0.00 0.52 0.00 0.00 54.79 54.33 1kr3 n ASP 149 Cb 0.42 -1.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.00 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 -1.96 2.96 3.63 0.27 0.00 -1.26 -4.88 105.19 103.95 1kr3 n GLY 150 Ca -0.16 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 4.13 0.14 1.61 0.00 -0.12 -5.04 119.30 120.03 1kr3 s MET 151 Ca 0.00 0.67 -0.30 0.00 0.00 0.00 0.00 55.69 56.06 1kr3 s MET 151 Cb 0.00 -3.65 -0.07 0.00 0.00 0.00 0.00 34.83 31.11 1kr3 s MET 151 CO 0.00 -0.44 1.24 -1.25 0.00 0.00 0.00 175.02 174.56 1kr3 s PRO 152 N 2.60 4.44 -0.24 4.11 0.04 -1.26 -0.10 135.00 144.58 1kr3 s PRO 152 Ca 0.29 1.89 0.02 0.00 0.04 0.00 0.00 61.00 63.24 1kr3 s PRO 152 Cb -0.15 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.18 1kr3 s PRO 152 CO 0.08 -0.20 -0.07 -0.51 0.04 0.00 0.00 177.00 176.34 1kr3 s LEU 153 N 0.30 2.88 -0.45 -3.56 1.43 0.14 -4.41 118.68 115.01 1kr3 s LEU 153 Ca 0.56 -1.26 -0.18 0.00 -1.03 0.00 0.00 54.13 52.23 1kr3 s LEU 153 Cb -0.33 -1.31 0.04 0.00 0.03 0.00 0.00 46.19 44.62 1kr3 s LEU 153 CO 0.34 -0.22 0.48 -1.10 0.23 0.00 0.00 176.35 176.08 1kr3 s GLN 154 N 1.29 3.09 -0.33 1.70 -0.21 -0.25 -0.19 119.66 124.76 1kr3 s GLN 154 Ca -0.07 -0.84 -0.18 0.00 0.02 0.00 0.00 55.36 54.29 1kr3 s GLN 154 Cb -0.19 -4.02 -0.01 0.00 1.00 0.00 0.00 33.01 29.79 1kr3 s GLN 154 CO -0.06 -0.96 0.51 0.00 -2.12 0.00 0.00 175.29 172.66 1kr3 s TYR 156 N 2.37 2.46 -0.59 0.00 1.51 -0.78 -1.88 117.35 120.44 1kr3 s TYR 156 Ca 0.19 -0.33 -0.07 0.00 -1.01 0.00 0.00 57.07 55.85 1kr3 s TYR 156 Cb -0.15 -1.51 0.15 0.00 -0.11 0.00 0.00 41.96 40.34 1kr3 s TYR 156 CO 0.13 0.09 0.44 -0.47 -1.11 0.00 0.00 175.55 174.63 1kr3 s TYR 157 N -0.73 3.50 -2.19 2.71 5.04 -0.90 -2.23 117.35 122.56 1kr3 s TYR 157 Ca 0.11 -2.32 0.19 0.00 -2.44 0.00 0.00 57.07 52.62 1kr3 s TYR 157 Cb -0.10 -3.40 0.53 0.00 0.35 0.00 0.00 41.96 39.34 1kr3 s TYR 157 CO 0.01 -0.93 1.43 1.28 -1.34 0.00 0.00 175.55 176.00 1kr3 n LEU 158 N 4.10 2.57 0.00 6.97 4.77 -1.26 -4.90 117.00 129.25 1kr3 n LEU 158 Ca 0.03 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 1kr3 n LEU 158 Cb 0.41 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1kr3 n LEU 158 CO 0.36 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1kr3 n GLY 159 N 1.30 0.71 3.82 -0.72 0.00 -1.26 -4.75 105.19 104.29 1kr3 n GLY 159 Ca 0.17 -2.30 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 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 2.34 0.00 -0.02 0.00 -1.26 -4.71 107.32 103.67 1kr3 s GLY 160 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1kr3 s GLY 160 CO 0.00 0.67 0.00 0.61 0.00 0.00 0.00 173.10 174.38 1kr3 n GLY 161 N -0.78 1.72 0.32 0.20 0.00 -1.26 -2.02 105.19 103.37 1kr3 n GLY 161 Ca 0.07 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 1.00 -3.21 1.61 6.17 -1.86 -1.79 115.15 117.07 1kr3 h HIS 162 Ca 0.00 0.03 -0.39 0.00 0.71 0.00 0.00 60.37 60.71 1kr3 h HIS 162 Cb 0.00 -0.32 -0.14 0.00 2.52 0.00 0.00 27.41 29.46 1kr3 h HIS 162 CO 0.00 0.53 -0.67 0.00 0.71 0.00 0.00 177.93 178.50 1kr3 s ALA 163 N -6.07 1.86 -0.05 5.26 0.00 -1.26 -2.03 121.76 119.47 1kr3 s ALA 163 Ca -0.13 -1.76 0.16 0.00 0.00 0.00 0.00 51.96 50.24 1kr3 s ALA 163 Cb 0.18 0.39 0.25 0.00 0.00 0.00 0.00 23.12 23.94 1kr3 s ALA 163 CO 0.79 -0.20 1.53 1.79 0.00 0.00 0.00 175.76 179.67 1kr3 h THR 164 N 2.47 0.89 -0.02 0.00 1.35 -1.84 -3.31 112.91 112.44 1kr3 h THR 164 Ca -0.38 -2.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 1kr3 h THR 164 Cb 1.22 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 1kr3 h THR 164 CO 0.65 0.47 -0.11 -0.90 -0.25 0.00 0.00 175.52 175.38 1kr3 n ASP 165 N -3.31 2.64 -4.75 5.36 3.85 -1.26 -4.46 116.55 114.63 1kr3 n ASP 165 Ca 0.01 -1.82 -0.39 0.00 -0.71 0.00 0.00 54.79 51.88 1kr3 n ASP 165 Cb 0.67 0.12 0.03 0.00 -1.35 0.00 0.00 41.12 40.59 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 0.94 2.94 -4.12 -1.12 2.04 -1.25 -4.66 115.26 110.02 1kr3 n ASN 166 Ca 0.12 1.05 -0.27 0.00 -0.44 0.00 0.00 54.58 55.03 1kr3 n ASN 166 Cb 0.53 -1.58 -0.06 0.00 -2.53 0.00 0.00 39.78 36.14 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 -0.64 0.00 -4.09 1.53 -5.35 -0.89 -4.59 119.36 105.33 1kr3 n ILE 167 Ca 0.08 -2.20 -0.14 0.00 -0.27 0.00 0.00 62.75 60.21 1kr3 n ILE 167 Cb 0.43 0.60 -0.12 0.00 -1.74 0.00 0.00 39.64 38.81 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 -2.81 0.59 -0.16 7.28 -7.23 -0.94 -4.60 120.40 112.52 1kr3 s VAL 168 Ca 0.08 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.27 1kr3 s VAL 168 Cb 0.00 -0.63 0.01 0.00 0.56 0.00 0.00 36.38 36.33 1kr3 s VAL 168 CO 0.06 -0.30 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.65 1kr3 s VAL 169 N -1.21 2.12 -0.10 1.32 1.01 -0.53 -1.87 120.40 121.14 1kr3 s VAL 169 Ca -0.08 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1kr3 s VAL 169 Cb -0.09 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1kr3 s VAL 169 CO 0.01 0.54 0.00 0.86 0.00 0.00 0.00 175.10 176.51 1kr3 s TRP 170 N 1.04 3.16 -0.41 5.22 -0.11 0.10 -1.01 118.94 126.92 1kr3 s TRP 170 Ca -0.01 0.15 0.02 0.00 1.22 0.00 0.00 56.10 57.47 1kr3 s TRP 170 Cb -0.14 -1.82 0.11 0.00 -1.50 0.00 0.00 33.47 30.12 1kr3 s TRP 170 CO -0.07 0.41 0.16 -0.51 -4.62 0.00 0.00 176.95 172.33 1kr3 s LEU 171 N -0.72 4.86 0.33 5.86 1.43 -0.61 -1.09 118.68 128.74 1kr3 s LEU 171 Ca 0.11 -2.34 0.09 0.00 -1.03 0.00 0.00 54.13 50.96 1kr3 s LEU 171 Cb -0.12 -1.70 0.83 0.00 0.03 0.00 0.00 46.19 45.23 1kr3 s LEU 171 CO 0.02 -0.40 1.78 -0.65 0.23 0.00 0.00 176.35 177.33 1kr3 h PRO 172 N 7.48 0.65 0.00 1.29 0.11 -1.87 0.34 132.00 139.99 1kr3 h PRO 172 Ca -0.07 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1kr3 h PRO 172 Cb 1.00 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1kr3 h PRO 172 CO 0.61 0.43 -0.25 0.25 -0.21 0.00 0.00 178.00 178.83 1kr3 n THR 173 N -4.75 0.29 -0.00 -1.15 -2.24 -1.26 -4.02 114.28 101.15 1kr3 n THR 173 Ca 0.24 -0.17 0.02 0.00 -2.27 0.00 0.00 64.05 61.87 1kr3 n THR 173 Cb 0.64 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.92 0.26 -3.33 -0.78 -0.58 -0.53 -5.02 120.64 108.75 1kr3 n GLU 174 Ca 0.05 -0.04 -0.16 0.00 -0.42 0.00 0.00 57.16 56.59 1kr3 n GLU 174 Cb 0.40 -1.11 0.08 0.00 -0.57 0.00 0.00 31.44 30.24 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 -1.68 -2.22 -3.81 1.62 3.02 0.11 -4.75 115.26 107.55 1kr3 n ASN 175 Ca -0.01 -0.58 -0.25 0.00 -0.03 0.00 0.00 54.58 53.71 1kr3 n ASN 175 Cb 0.14 -4.82 -0.17 0.00 -0.61 0.00 0.00 39.78 34.31 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 -3.34 0.62 -0.12 2.41 1.01 -1.20 0.42 121.20 121.00 1kr3 s ILE 176 Ca 0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 1kr3 s ILE 176 Cb -0.00 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 1kr3 s ILE 176 CO 0.68 0.25 0.06 -0.22 0.00 0.00 0.00 174.94 175.71 1kr3 s LEU 177 N 1.87 3.92 -0.37 2.97 2.96 -0.44 -1.58 118.68 128.01 1kr3 s LEU 177 Ca 0.04 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.23 1kr3 s LEU 177 Cb -0.13 -1.94 0.11 0.00 0.50 0.00 0.00 46.19 44.73 1kr3 s LEU 177 CO -0.07 0.34 0.10 0.12 -1.32 0.00 0.00 176.35 175.53 1kr3 s PHE 178 N -0.66 3.68 -0.39 5.38 5.36 -0.18 -0.83 117.98 130.34 1kr3 s PHE 178 Ca 0.12 -2.92 0.23 0.00 -0.96 0.00 0.00 56.93 53.39 1kr3 s PHE 178 Cb -0.12 -2.98 0.26 0.00 -0.34 0.00 0.00 43.02 39.85 1kr3 s PHE 178 CO 0.02 -0.93 1.47 0.78 -1.46 0.00 0.00 175.22 175.10 1kr3 h GLY 179 N 7.58 0.00 0.00 13.12 0.00 -1.68 -1.40 103.07 120.69 1kr3 h GLY 179 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1kr3 h GLY 179 CO 0.57 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.72 1kr3 n GLY 180 N 1.12 -0.53 0.00 4.60 0.00 -1.22 -4.04 105.19 105.12 1kr3 n GLY 180 Ca 0.03 -1.24 0.14 0.00 0.00 0.00 0.00 46.02 44.94 1kr3 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kr3 n MET 182 N -1.49 0.29 -5.03 0.00 0.00 -1.26 -4.62 117.12 105.01 1kr3 n MET 182 Ca 0.07 0.09 -0.28 0.00 0.00 0.00 0.00 57.70 57.58 1kr3 n MET 182 Cb 0.33 -1.50 -0.16 0.00 0.00 0.00 0.00 33.22 31.88 1kr3 n MET 182 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1kr3 s LEU 183 N -2.58 1.99 0.24 3.17 1.43 -1.13 -4.79 118.68 117.02 1kr3 s LEU 183 Ca 0.20 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 52.96 1kr3 s LEU 183 Cb 0.14 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 1kr3 s LEU 183 CO 0.32 0.20 0.03 -0.54 0.23 0.00 0.00 176.35 176.59 1kr3 s LYS 184 N -0.10 2.41 0.90 1.70 3.01 -1.26 -3.57 119.74 122.83 1kr3 s LYS 184 Ca -0.02 -1.29 -0.13 0.00 -1.01 0.00 0.00 55.97 53.52 1kr3 s LYS 184 Cb -0.12 -2.27 0.13 0.00 -1.01 0.00 0.00 37.83 34.56 1kr3 s LYS 184 CO 0.02 0.39 1.18 0.16 0.51 0.00 0.00 175.35 177.62 1kr3 s ASP 185 N -3.52 3.67 0.28 2.83 -4.77 -1.26 -4.64 116.67 109.26 1kr3 s ASP 185 Ca 0.31 0.77 -0.03 0.00 -3.30 0.00 0.00 52.55 50.29 1kr3 s ASP 185 Cb -0.07 -1.21 0.38 0.00 -1.09 0.00 0.00 42.92 40.92 1kr3 s ASP 185 CO 0.20 -2.43 1.91 0.78 0.70 0.00 0.00 175.17 176.33 1kr3 h ASN 186 N -1.42 0.96 -0.80 2.11 2.35 -1.92 -2.87 115.58 114.00 1kr3 h ASN 186 Ca -0.48 -0.07 -0.48 0.00 -0.55 0.00 0.00 56.30 54.73 1kr3 h ASN 186 Cb 1.31 -0.24 -0.20 0.00 0.05 0.00 0.00 38.32 39.24 1kr3 h ASN 186 CO 0.58 0.76 0.59 0.00 -1.65 0.00 0.00 177.43 177.71 1kr3 n GLN 187 N -4.36 2.20 -4.40 0.81 3.00 -1.26 -4.92 117.38 108.45 1kr3 n GLN 187 Ca 0.08 -2.29 -0.33 0.00 -0.01 0.00 0.00 57.00 54.45 1kr3 n GLN 187 Cb 0.08 -1.92 -0.10 0.00 0.00 0.00 0.00 30.24 28.30 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 -2.53 3.19 0.00 -1.58 0.00 -1.09 -4.99 121.76 114.77 1kr3 s ALA 188 Ca 0.46 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1kr3 s ALA 188 Cb 0.35 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1kr3 s ALA 188 CO -0.06 0.61 0.11 0.25 0.00 0.00 0.00 175.76 176.67 1kr3 n THR 189 N 1.80 0.00 -4.24 0.00 -2.24 -1.26 -4.99 114.28 103.35 1kr3 n THR 189 Ca -0.16 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 60.94 1kr3 n THR 189 Cb 0.53 1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.47 5.35 0.22 3.42 0.15 -1.26 -4.99 113.70 116.12 1kr3 s SER 190 Ca 0.00 0.09 0.23 0.00 0.70 0.00 0.00 55.95 56.97 1kr3 s SER 190 Cb 0.00 -1.48 0.20 0.00 -1.71 0.00 0.00 66.02 63.03 1kr3 s SER 190 CO 0.00 0.30 1.26 -0.29 1.20 0.00 0.00 173.24 175.71 1kr3 h ILE 191 N 3.60 0.00 0.00 6.45 2.10 -1.95 -3.50 117.51 124.20 1kr3 h ILE 191 Ca -0.50 -0.82 0.00 0.00 1.08 0.00 0.00 64.86 64.62 1kr3 h ILE 191 Cb 1.18 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 38.36 1kr3 h ILE 191 CO 0.58 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.26 1kr3 n GLY 192 N 1.22 -1.75 3.57 8.18 0.00 -1.26 -4.85 105.19 110.30 1kr3 n GLY 192 Ca 0.02 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 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 5.13 -0.18 1.61 2.47 -1.26 -4.86 114.94 113.84 1kr3 s ASN 193 Ca 0.00 1.13 0.16 0.00 0.42 0.00 0.00 52.86 54.57 1kr3 s ASN 193 Cb 0.00 -2.51 0.68 0.00 -1.45 0.00 0.00 41.25 37.96 1kr3 s ASN 193 CO 0.00 -2.34 1.59 2.30 -3.72 0.00 0.00 177.10 174.93 1kr3 n ILE 194 N 7.66 2.35 -0.34 -5.21 -5.35 -1.26 -4.60 119.36 112.61 1kr3 n ILE 194 Ca 0.29 -1.52 0.27 0.00 -0.27 0.00 0.00 62.75 61.52 1kr3 n ILE 194 Cb 0.50 -0.16 0.52 0.00 -1.74 0.00 0.00 39.64 38.77 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 3.14 0.44 -0.02 7.28 0.02 -1.90 -2.03 113.55 120.47 1kr3 h SER 195 Ca 0.00 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1kr3 h SER 195 Cb 1.64 0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.34 1kr3 h SER 195 CO 0.33 -0.20 0.00 0.47 -1.14 0.00 0.00 176.83 176.28 1kr3 n ASP 196 N -5.05 1.55 -4.72 3.07 8.00 -1.26 -5.07 116.55 113.07 1kr3 n ASP 196 Ca 0.34 -1.31 -0.32 0.00 0.71 0.00 0.00 54.79 54.21 1kr3 n ASP 196 Cb 1.10 -0.01 0.12 0.00 -0.02 0.00 0.00 41.12 42.31 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 -0.49 1.92 -0.62 2.24 0.00 -0.77 -3.87 121.76 120.17 1kr3 s ALA 197 Ca 0.06 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.70 1kr3 s ALA 197 Cb 0.04 -3.42 0.15 0.00 0.00 0.00 0.00 23.12 19.90 1kr3 s ALA 197 CO 0.06 -2.16 0.39 0.34 0.00 0.00 0.00 175.76 174.40 1kr3 s ASP 198 N -2.58 4.59 0.54 0.00 3.68 -0.67 -4.94 116.67 117.29 1kr3 s ASP 198 Ca 0.68 -3.48 0.22 0.00 2.13 0.00 0.00 52.55 52.11 1kr3 s ASP 198 Cb -0.24 -1.63 1.49 0.00 -1.45 0.00 0.00 42.92 41.09 1kr3 s ASP 198 CO 0.52 -0.15 2.17 0.58 0.13 0.00 0.00 175.17 178.42 1kr3 h VAL 199 N 4.89 0.78 0.06 1.11 2.07 -1.94 -1.43 116.25 121.79 1kr3 h VAL 199 Ca 0.04 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1kr3 h VAL 199 Cb 0.82 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1kr3 h VAL 199 CO 0.70 0.03 -0.03 0.74 0.02 0.00 0.00 177.57 179.03 1kr3 h THR 200 N 0.00 1.19 -0.18 2.57 2.02 -1.95 -3.33 112.91 113.23 1kr3 h THR 200 Ca -0.00 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.27 1kr3 h THR 200 Cb 0.06 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1kr3 h THR 200 CO 0.00 0.22 -0.02 0.00 0.37 0.00 0.00 175.52 176.10 1kr3 h ALA 201 N 0.43 0.24 -0.43 6.16 0.00 -1.76 -3.37 119.26 120.53 1kr3 h ALA 201 Ca -0.01 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.76 1kr3 h ALA 201 Cb 0.42 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1kr3 h ALA 201 CO 0.01 -0.02 -0.12 1.87 0.00 0.00 0.00 179.25 180.99 1kr3 n TRP 202 N -4.69 0.12 0.17 0.00 -0.00 -0.57 -0.59 117.44 111.89 1kr3 n TRP 202 Ca -0.05 0.52 0.02 0.00 -0.00 0.00 0.00 57.50 57.99 1kr3 n TRP 202 Cb 0.24 -0.73 0.31 0.00 -0.00 0.00 0.00 31.31 31.13 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 0.00 0.00 5.87 0.11 -1.77 -1.96 132.00 134.24 1kr3 h PRO 203 Ca 0.19 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 1kr3 h PRO 203 Cb 0.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1kr3 h PRO 203 CO -0.44 0.45 -0.36 0.87 -0.21 0.00 0.00 178.00 178.30 1kr3 h LYS 204 N 0.00 0.00 0.03 1.05 1.57 -1.10 -2.26 116.57 115.87 1kr3 h LYS 204 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1kr3 h LYS 204 Cb 0.81 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.13 1kr3 h LYS 204 CO 0.06 0.36 -1.04 1.15 -0.57 0.00 0.00 179.45 179.41 1kr3 h THR 205 N 0.00 1.37 0.00 -0.16 2.02 -1.18 -2.38 112.91 112.58 1kr3 h THR 205 Ca -0.00 -2.47 -0.06 0.00 0.77 0.00 0.00 66.41 64.65 1kr3 h THR 205 Cb 1.24 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 70.14 1kr3 h THR 205 CO 0.05 0.74 -0.30 -0.07 0.37 0.00 0.00 175.52 176.31 1kr3 h LEU 206 N 0.26 0.00 -0.27 2.58 3.38 -1.36 -1.50 115.31 118.40 1kr3 h LEU 206 Ca -0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1kr3 h LEU 206 Cb 1.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 1kr3 h LEU 206 CO 0.19 0.30 -0.10 0.44 0.09 0.00 0.00 178.44 179.35 1kr3 h ASP 207 N 0.00 0.55 -0.65 -0.43 3.32 -1.23 -1.78 116.42 116.20 1kr3 h ASP 207 Ca -0.00 -0.39 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 1kr3 h ASP 207 Cb 0.93 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 1kr3 h ASP 207 CO 0.04 0.82 0.22 0.11 -1.72 0.00 0.00 179.24 178.71 1kr3 h LYS 208 N 0.28 1.02 -0.69 3.56 1.57 -1.24 -2.40 116.57 118.67 1kr3 h LYS 208 Ca 0.06 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 1kr3 h LYS 208 Cb 0.60 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1kr3 h LYS 208 CO 0.03 0.87 0.24 0.28 -0.57 0.00 0.00 179.45 180.30 1kr3 h VAL 209 N 0.99 1.25 -0.72 0.50 2.07 -1.16 -2.24 116.25 116.94 1kr3 h VAL 209 Ca 0.22 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1kr3 h VAL 209 Cb 0.26 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1kr3 h VAL 209 CO -0.01 0.33 0.40 0.50 0.02 0.00 0.00 177.57 178.81 1kr3 h LYS 210 N 1.00 0.99 -0.13 1.57 3.64 -1.06 -2.79 116.57 119.79 1kr3 h LYS 210 Ca 0.23 -0.10 -0.22 0.00 -1.27 0.00 0.00 60.65 59.28 1kr3 h LYS 210 Cb 0.26 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1kr3 h LYS 210 CO -0.01 0.72 -0.78 0.00 -2.27 0.00 0.00 179.45 177.11 1kr3 h ALA 211 N 1.44 0.37 0.00 5.00 0.00 -0.93 -3.34 119.26 121.79 1kr3 h ALA 211 Ca 0.26 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1kr3 h ALA 211 Cb 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1kr3 h ALA 211 CO -0.04 0.70 -0.57 0.87 0.00 0.00 0.00 179.25 180.21 1kr3 h LYS 212 N 0.47 0.00 -1.42 0.00 1.57 -1.37 -3.39 116.57 112.43 1kr3 h LYS 212 Ca -0.05 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.18 1kr3 h LYS 212 Cb 1.40 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 33.30 1kr3 h LYS 212 CO 0.16 0.12 -0.81 1.19 -0.57 0.00 0.00 179.45 179.54 1kr3 n PHE 213 N -2.97 3.03 0.12 -1.35 3.01 -1.06 -4.83 117.46 113.42 1kr3 n PHE 213 Ca 0.01 -3.05 0.18 0.00 1.01 0.00 0.00 57.45 55.60 1kr3 n PHE 213 Cb 0.61 -0.13 0.75 0.00 -0.01 0.00 0.00 39.48 40.70 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 2.64 0.00 -0.86 -1.08 0.13 -1.77 -2.75 132.00 128.31 1kr3 h PRO 214 Ca 0.23 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.21 1kr3 h PRO 214 Cb 0.97 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.01 1kr3 h PRO 214 CO 0.79 0.00 0.20 -1.13 -0.23 0.00 0.00 178.00 177.62 1kr3 n SER 215 N -4.03 3.72 -4.74 1.44 3.41 -1.26 -4.98 113.62 107.18 1kr3 n SER 215 Ca 0.05 -2.78 -0.41 0.00 -0.26 0.00 0.00 58.87 55.47 1kr3 n SER 215 Cb 0.46 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 63.73 1kr3 n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kr3 s ALA 216 N -2.07 3.64 -0.11 7.33 0.00 -1.04 -4.84 121.76 124.67 1kr3 s ALA 216 Ca 0.35 1.34 -0.07 0.00 0.00 0.00 0.00 51.96 53.57 1kr3 s ALA 216 Cb 0.28 -3.57 -0.27 0.00 0.00 0.00 0.00 23.12 19.57 1kr3 s ALA 216 CO 0.08 -0.75 0.39 -0.09 0.00 0.00 0.00 175.76 175.39 1kr3 h ARG 217 N 5.19 0.28 -4.05 0.00 2.43 -0.33 -3.43 114.38 114.47 1kr3 h ARG 217 Ca -0.46 -0.47 -0.37 0.00 -0.81 0.00 0.00 59.98 57.87 1kr3 h ARG 217 Cb 1.22 0.18 -0.32 0.00 -0.42 0.00 0.00 29.97 30.62 1kr3 h ARG 217 CO 0.79 1.23 -0.76 0.71 -1.51 0.00 0.00 179.97 180.42 1kr3 s TYR 218 N -2.56 0.58 -0.17 2.20 4.12 -1.16 -4.58 117.35 115.79 1kr3 s TYR 218 Ca -0.22 -0.13 -0.01 0.00 0.02 0.00 0.00 57.07 56.74 1kr3 s TYR 218 Cb 0.06 -0.51 -0.00 0.00 -1.52 0.00 0.00 41.96 39.99 1kr3 s TYR 218 CO 0.78 -0.12 -0.12 0.08 0.02 0.00 0.00 175.55 176.18 1kr3 s VAL 219 N 0.64 2.86 -0.26 0.71 1.01 0.20 -1.32 120.40 124.24 1kr3 s VAL 219 Ca -0.08 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 1kr3 s VAL 219 Cb -0.11 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1kr3 s VAL 219 CO -0.00 0.50 0.02 -0.69 0.00 0.00 0.00 175.10 174.92 1kr3 s VAL 220 N 0.94 3.63 0.81 2.92 1.01 -0.01 -2.02 120.40 127.68 1kr3 s VAL 220 Ca -0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1kr3 s VAL 220 Cb -0.15 -2.79 0.08 0.00 0.00 0.00 0.00 36.38 33.52 1kr3 s VAL 220 CO -0.01 0.23 1.17 -2.16 0.00 0.00 0.00 175.10 174.32 1kr3 s PRO 221 N 1.47 1.97 0.33 2.72 0.04 -1.26 -1.92 135.00 138.35 1kr3 s PRO 221 Ca 0.03 0.16 0.15 0.00 0.04 0.00 0.00 61.00 61.39 1kr3 s PRO 221 Cb -0.16 -1.95 0.55 0.00 0.04 0.00 0.00 34.50 32.98 1kr3 s PRO 221 CO -0.00 -1.60 1.69 0.78 0.04 0.00 0.00 177.00 177.90 1kr3 h GLY 222 N -1.06 0.00 -5.84 0.56 0.00 -0.35 -3.44 103.07 92.94 1kr3 h GLY 222 Ca -0.46 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.63 1kr3 h GLY 222 CO 0.65 0.00 -0.65 0.30 0.00 0.00 0.00 176.54 176.85 1kr3 s HIS 223 N -3.65 -0.07 0.00 5.60 3.76 -1.26 -0.96 115.29 118.70 1kr3 s HIS 223 Ca -0.01 0.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 1kr3 s HIS 223 Cb 0.12 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.76 1kr3 s HIS 223 CO 0.72 -0.07 0.00 0.41 -0.85 0.00 0.00 174.74 174.95 1kr3 n GLY 224 N 3.49 -1.12 3.90 -2.22 0.00 -1.26 -4.21 105.19 103.78 1kr3 n GLY 224 Ca -0.18 -2.13 -0.28 0.00 0.00 0.00 0.00 46.02 43.43 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 -4.00 6.36 0.53 1.61 1.01 -1.26 -4.87 116.67 116.05 1kr3 s ASP 225 Ca 0.00 0.94 -0.02 0.00 0.71 0.00 0.00 52.55 54.18 1kr3 s ASP 225 Cb 0.00 -2.25 0.01 0.00 1.01 0.00 0.00 42.92 41.69 1kr3 s ASP 225 CO 0.00 -0.47 0.79 -0.72 0.21 0.00 0.00 175.17 174.98 1kr3 s TYR 226 N -2.54 3.19 0.00 4.23 -0.85 -1.26 -4.53 117.35 115.59 1kr3 s TYR 226 Ca 0.48 0.38 0.00 0.00 -0.52 0.00 0.00 57.07 57.41 1kr3 s TYR 226 Cb -0.10 -2.56 0.00 0.00 0.38 0.00 0.00 41.96 39.67 1kr3 s TYR 226 CO 0.39 -0.64 0.00 0.41 -1.52 0.00 0.00 175.55 174.19 1kr3 n GLY 227 N -2.34 2.50 0.00 5.49 0.00 -0.86 -5.00 105.19 104.98 1kr3 n GLY 227 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 3.16 0.00 -0.02 0.00 -1.26 0.58 105.19 107.65 1kr3 n GLY 228 Ca 0.00 -1.99 0.09 0.00 0.00 0.00 0.00 46.02 44.11 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 0.00 0.57 0.24 2.61 -2.24 -1.26 -2.79 114.28 111.41 1kr3 n THR 229 Ca 0.00 0.14 0.09 0.00 -2.27 0.00 0.00 64.05 62.01 1kr3 n THR 229 Cb 0.00 -0.85 0.58 0.00 -2.10 0.00 0.00 70.33 67.97 1kr3 n THR 229 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1kr3 h GLU 230 N 0.00 0.00 0.00 -0.78 9.09 -1.99 -2.43 114.58 118.47 1kr3 h GLU 230 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1kr3 h GLU 230 Cb 0.20 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.30 1kr3 h GLU 230 CO 0.00 0.19 -0.08 -0.07 0.05 0.00 0.00 179.01 179.10 1kr3 h LEU 231 N 0.00 0.00 -0.11 3.06 3.38 -1.84 0.13 115.31 119.92 1kr3 h LEU 231 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1kr3 h LEU 231 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1kr3 h LEU 231 CO 0.03 0.08 -0.34 0.40 0.09 0.00 0.00 178.44 178.70 1kr3 h ILE 232 N 0.00 1.38 -0.35 1.22 5.03 -1.67 -0.44 117.51 122.68 1kr3 h ILE 232 Ca -0.00 -1.66 -0.11 0.00 -0.12 0.00 0.00 64.86 62.97 1kr3 h ILE 232 Cb 0.17 2.15 -0.01 0.00 -3.03 0.00 0.00 36.82 36.09 1kr3 h ILE 232 CO 0.01 0.49 -0.24 -0.08 -0.68 0.00 0.00 178.15 177.64 1kr3 h GLU 233 N -0.00 0.70 -0.08 2.37 4.57 -1.51 -2.33 114.58 118.29 1kr3 h GLU 233 Ca -0.01 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1kr3 h GLU 233 Cb 0.96 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1kr3 h GLU 233 CO 0.07 0.88 0.05 1.25 -1.18 0.00 0.00 179.01 180.08 1kr3 h HIS 234 N 0.61 0.12 -0.39 0.92 2.76 -0.71 -1.80 115.15 116.65 1kr3 h HIS 234 Ca 0.08 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1kr3 h HIS 234 Cb 0.74 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.64 1kr3 h HIS 234 CO 0.04 0.16 0.23 1.15 -1.30 0.00 0.00 177.93 178.21 1kr3 h THR 235 N 0.04 1.12 -0.14 6.26 2.02 -1.02 -0.96 112.91 120.22 1kr3 h THR 235 Ca 0.03 -0.27 -0.13 0.00 0.77 0.00 0.00 66.41 66.82 1kr3 h THR 235 Cb 0.08 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1kr3 h THR 235 CO -0.00 0.12 -0.47 0.50 0.37 0.00 0.00 175.52 176.04 1kr3 h LYS 236 N 0.54 0.35 0.28 6.66 3.64 -1.19 -1.22 116.57 125.63 1kr3 h LYS 236 Ca 0.14 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1kr3 h LYS 236 Cb -0.01 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1kr3 h LYS 236 CO -0.03 0.75 -0.13 1.96 -2.27 0.00 0.00 179.45 179.73 1kr3 h GLN 237 N 0.29 -0.36 -0.11 1.90 4.20 -0.32 -2.25 115.11 118.46 1kr3 h GLN 237 Ca 0.02 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.80 1kr3 h GLN 237 Cb 0.94 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.74 1kr3 h GLN 237 CO 0.08 -0.15 -0.24 0.82 -0.67 0.00 0.00 178.83 178.67 1kr3 h ILE 238 N -0.50 0.43 -0.60 2.54 2.04 -1.29 -2.26 117.51 117.88 1kr3 h ILE 238 Ca -0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.88 1kr3 h ILE 238 Cb 0.37 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1kr3 h ILE 238 CO 0.06 0.00 0.30 0.58 0.00 0.00 0.00 178.15 179.10 1kr3 h VAL 239 N -0.31 0.93 -0.02 1.67 2.07 -1.15 -2.46 116.25 116.98 1kr3 h VAL 239 Ca 0.10 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 1kr3 h VAL 239 Cb 0.45 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1kr3 h VAL 239 CO -0.29 0.10 -0.47 0.78 0.02 0.00 0.00 177.57 177.71 1kr3 h ASN 240 N 0.57 0.05 1.14 0.57 -0.26 -1.28 -1.84 115.58 114.52 1kr3 h ASN 240 Ca 0.27 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.99 1kr3 h ASN 240 Cb 0.20 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 1kr3 h ASN 240 CO -0.19 0.51 0.00 1.67 -1.06 0.00 0.00 177.43 178.36 1kr3 n GLN 241 N -3.98 0.13 0.01 0.81 7.27 -0.86 -2.38 117.38 118.37 1kr3 n GLN 241 Ca -0.02 0.14 -0.16 0.00 0.07 0.00 0.00 57.00 57.03 1kr3 n GLN 241 Cb 0.49 -1.66 -0.14 0.00 2.41 0.00 0.00 30.24 31.35 1kr3 n GLN 241 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1kr3 h TYR 242 N 0.00 0.33 -0.38 3.69 3.20 -0.88 -3.13 116.97 119.80 1kr3 h TYR 242 Ca 0.00 -0.24 -0.14 0.00 3.14 0.00 0.00 58.73 61.49 1kr3 h TYR 242 Cb 0.57 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1kr3 h TYR 242 CO 0.00 1.45 -0.32 0.82 -1.64 0.00 0.00 178.16 178.47 1kr3 h ILE 243 N 0.05 1.28 -0.68 1.81 2.04 -1.32 -3.12 117.51 117.57 1kr3 h ILE 243 Ca -0.34 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 63.98 1kr3 h ILE 243 Cb 2.03 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 39.40 1kr3 h ILE 243 CO 0.10 0.49 0.15 -0.33 0.00 0.00 0.00 178.15 178.56 1kr3 h GLU 244 N 0.70 1.09 0.00 2.37 5.08 -1.59 -2.53 114.58 119.70 1kr3 h GLU 244 Ca 0.07 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1kr3 h GLU 244 Cb 0.87 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1kr3 h GLU 244 CO 0.08 0.97 0.00 -1.13 -1.00 0.00 0.00 179.01 177.93 1kr3 n SER 245 N -4.23 0.00 -0.01 1.42 3.41 -1.18 -2.32 113.62 110.71 1kr3 n SER 245 Ca 0.05 -0.64 0.02 0.00 -0.26 0.00 0.00 58.87 58.03 1kr3 n SER 245 Cb 0.27 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.03 0.13 0.81 6.66 -2.24 -1.12 -5.09 114.28 112.41 1kr3 n THR 246 Ca 0.16 -0.20 0.06 0.00 -2.27 0.00 0.00 64.05 61.80 1kr3 n THR 246 Cb 0.09 0.01 0.38 0.00 -2.10 0.00 0.00 70.33 68.71 1kr3 n THR 246 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30