#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krs s GLN 2 N 0.00 0.05 0.27 2.12 -0.21 -1.26 -4.46 119.66 116.16 2krs s GLN 2 Ca 0.00 0.20 -0.12 0.00 0.02 0.00 0.00 55.36 55.45 2krs s GLN 2 Cb 0.00 -1.13 -0.08 0.00 1.00 0.00 0.00 33.01 32.80 2krs s GLN 2 CO 0.00 -0.52 0.63 0.20 -2.12 0.00 0.00 175.29 173.48 2krs s GLY 3 N 2.21 2.31 -0.06 3.09 0.00 -0.13 -4.13 107.32 110.61 2krs s GLY 3 Ca 0.04 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.66 2krs s GLY 3 CO -0.08 0.05 -0.16 0.14 0.00 0.00 0.00 173.10 173.06 2krs s VAL 4 N -1.87 1.36 -0.13 1.40 1.01 -1.06 -0.20 120.40 120.91 2krs s VAL 4 Ca 0.50 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 2krs s VAL 4 Cb -0.11 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2krs s VAL 4 CO 0.19 0.40 0.52 -0.69 0.00 0.00 0.00 175.10 175.52 2krs s VAL 5 N 0.33 5.15 -0.27 2.92 1.01 -0.96 -2.39 120.40 126.20 2krs s VAL 5 Ca -0.10 1.02 0.01 0.00 0.00 0.00 0.00 61.98 62.91 2krs s VAL 5 Cb -0.14 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.46 2krs s VAL 5 CO 0.04 0.28 -0.01 -0.54 0.00 0.00 0.00 175.10 174.87 2krs s LYS 6 N 0.87 1.45 0.02 2.72 1.02 -1.15 -1.61 119.74 123.05 2krs s LYS 6 Ca 0.27 -1.17 0.01 0.00 0.02 0.00 0.00 55.97 55.10 2krs s LYS 6 Cb -0.15 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 2krs s LYS 6 CO 0.11 -0.73 -0.04 0.54 -0.92 0.00 0.00 175.35 174.31 2krs s VAL 7 N 1.34 0.27 0.20 3.17 0.11 -1.26 -4.82 120.40 119.41 2krs s VAL 7 Ca -0.00 -0.59 -0.09 0.00 -2.93 0.00 0.00 61.98 58.37 2krs s VAL 7 Cb -0.19 -0.31 0.14 0.00 -1.53 0.00 0.00 36.38 34.49 2krs s VAL 7 CO -0.10 -0.21 1.80 -0.55 -3.33 0.00 0.00 175.10 172.71 2krs h ASN 8 N 5.27 0.99 0.00 3.54 -1.07 -2.00 -3.40 115.58 118.91 2krs h ASN 8 Ca -0.30 -0.13 0.00 0.00 0.07 0.00 0.00 56.30 55.93 2krs h ASN 8 Cb 1.20 -0.25 0.00 0.00 -2.07 0.00 0.00 38.32 37.20 2krs h ASN 8 CO 0.45 0.85 0.00 -0.24 0.07 0.00 0.00 177.43 178.56 2krs n SER 9 N -4.39 0.00 -4.85 6.14 2.88 -1.26 -4.99 113.62 107.15 2krs n SER 9 Ca 0.07 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.25 2krs n SER 9 Cb 0.13 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.54 2krs n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2krs s ALA 10 N -2.00 3.67 -0.06 -1.46 0.00 -1.26 -4.41 121.76 116.24 2krs s ALA 10 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 51.75 2krs s ALA 10 Cb 0.00 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 2krs s ALA 10 CO 0.00 0.51 -0.23 -1.17 0.00 0.00 0.00 175.76 174.88 2krs s LEU 11 N -1.78 2.03 0.15 0.00 0.20 -0.43 -4.93 118.68 113.92 2krs s LEU 11 Ca 0.33 -0.48 -0.30 0.00 0.69 0.00 0.00 54.13 54.37 2krs s LEU 11 Cb -0.15 -1.27 -0.07 0.00 -0.43 0.00 0.00 46.19 44.27 2krs s LEU 11 CO 0.18 0.21 1.10 0.20 -0.29 0.00 0.00 176.35 177.74 2krs s ASN 12 N -0.03 7.26 0.31 3.68 0.02 -1.26 0.68 114.94 125.60 2krs s ASN 12 Ca -0.06 2.04 -0.09 0.00 -1.02 0.00 0.00 52.86 53.72 2krs s ASN 12 Cb -0.14 -2.60 -0.07 0.00 0.02 0.00 0.00 41.25 38.47 2krs s ASN 12 CO 0.04 -0.25 0.65 -0.32 0.02 0.00 0.00 177.10 177.24 2krs s MET 13 N -0.07 3.78 0.04 -0.60 -2.45 -0.86 -4.89 119.30 114.24 2krs s MET 13 Ca 0.51 0.32 0.07 0.00 -1.25 0.00 0.00 55.69 55.34 2krs s MET 13 Cb -0.29 -2.54 -0.02 0.00 1.25 0.00 0.00 34.83 33.23 2krs s MET 13 CO 0.33 0.16 -0.21 1.03 1.05 0.00 0.00 175.02 177.39 2krs s ARG 14 N -3.35 1.41 0.00 4.11 0.52 -0.92 -2.44 118.95 118.28 2krs s ARG 14 Ca 0.49 -0.91 0.28 0.00 -0.52 0.00 0.00 55.73 55.06 2krs s ARG 14 Cb -0.11 -1.50 1.01 0.00 0.52 0.00 0.00 34.95 34.87 2krs s ARG 14 CO 0.26 0.39 1.72 0.45 0.02 0.00 0.00 175.30 178.13 2krs n SER 15 N 1.93 1.17 -3.47 0.23 2.88 -1.26 0.70 113.62 115.81 2krs n SER 15 Ca -0.17 -1.18 -0.10 0.00 -1.33 0.00 0.00 58.87 56.09 2krs n SER 15 Cb 0.53 0.04 -0.02 0.00 -0.75 0.00 0.00 64.21 64.01 2krs n SER 15 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2krs s GLY 16 N -2.22 -0.54 -0.55 0.46 0.00 -1.26 -4.59 107.32 98.62 2krs s GLY 16 Ca 0.33 0.72 -0.26 0.00 0.00 0.00 0.00 44.72 45.50 2krs s GLY 16 CO 0.41 0.24 2.27 2.56 0.00 0.00 0.00 173.10 178.58 2krs s PRO 17 N -3.46 2.19 0.00 2.90 0.04 -1.26 -4.69 135.00 130.72 2krs s PRO 17 Ca 0.03 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2krs s PRO 17 Cb -0.01 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2krs s PRO 17 CO -0.11 -3.25 0.00 0.41 0.04 0.00 0.00 177.00 174.10 2krs n GLY 18 N 6.01 4.62 0.18 0.56 0.00 -1.26 -4.90 105.19 110.40 2krs n GLY 18 Ca 0.34 -1.13 0.13 0.00 0.00 0.00 0.00 46.02 45.37 2krs n GLY 18 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2krs h SER 19 N 0.00 0.00 -0.15 1.61 0.87 -1.92 -2.22 113.55 111.73 2krs h SER 19 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2krs h SER 19 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2krs h SER 19 CO 0.00 0.00 0.00 -3.20 -0.53 0.00 0.00 176.83 173.10 2krs n ASN 20 N -2.45 0.93 -1.10 6.23 5.15 -1.26 -3.46 115.26 119.30 2krs n ASN 20 Ca 0.01 -1.88 0.11 0.00 -0.60 0.00 0.00 54.58 52.22 2krs n ASN 20 Cb 0.20 -0.10 0.27 0.00 -0.53 0.00 0.00 39.78 39.62 2krs n ASN 20 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2krs n TYR 21 N -0.04 0.69 0.00 1.20 4.02 -0.84 -5.06 117.16 117.14 2krs n TYR 21 Ca 0.09 -0.35 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 2krs n TYR 21 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 2krs n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2krs n GLY 22 N 1.47 -0.94 3.23 2.72 0.00 -1.22 -4.28 105.19 106.16 2krs n GLY 22 Ca 0.20 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 2krs n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krs s VAL 23 N -1.35 1.92 -0.57 1.61 0.11 -1.26 -4.01 120.40 116.86 2krs s VAL 23 Ca 0.00 -0.98 0.23 0.00 -2.93 0.00 0.00 61.98 58.30 2krs s VAL 23 Cb 0.00 -1.64 -0.08 0.00 -1.53 0.00 0.00 36.38 33.13 2krs s VAL 23 CO 0.00 0.54 1.06 -0.38 -3.33 0.00 0.00 175.10 172.99 2krs n ILE 24 N 3.15 0.23 0.00 7.04 5.41 -1.02 -4.96 119.36 129.21 2krs n ILE 24 Ca -0.18 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.29 2krs n ILE 24 Cb 0.52 0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.55 2krs n ILE 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2krs n GLY 25 N 1.34 -0.34 3.16 7.39 0.00 -1.26 -5.00 105.19 110.48 2krs n GLY 25 Ca 0.02 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 2krs n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2krs s THR 26 N -4.00 0.86 0.06 2.61 -4.23 -1.26 -2.03 115.64 107.65 2krs s THR 26 Ca 0.00 -1.60 0.08 0.00 -1.18 0.00 0.00 61.69 58.99 2krs s THR 26 Cb 0.00 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.51 2krs s THR 26 CO 0.00 -0.57 -0.21 -0.76 -0.54 0.00 0.00 174.62 172.54 2krs s LEU 27 N -2.40 2.21 0.42 4.79 1.43 0.21 -4.86 118.68 120.49 2krs s LEU 27 Ca 0.04 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 2krs s LEU 27 Cb -0.03 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 2krs s LEU 27 CO -0.01 0.13 0.36 -0.13 0.23 0.00 0.00 176.35 176.94 2krs s ARG 28 N -1.42 2.50 0.71 1.70 0.52 -1.26 -1.31 118.95 120.39 2krs s ARG 28 Ca 0.07 -1.57 -0.13 0.00 -0.52 0.00 0.00 55.73 53.58 2krs s ARG 28 Cb -0.09 -2.34 0.03 0.00 0.52 0.00 0.00 34.95 33.06 2krs s ARG 28 CO 0.03 -0.19 1.11 0.54 0.02 0.00 0.00 175.30 176.80 2krs s ASN 29 N -4.11 4.78 -1.68 0.23 2.20 -1.26 -3.37 114.94 111.73 2krs s ASN 29 Ca 0.47 1.94 -0.01 0.00 -0.94 0.00 0.00 52.86 54.32 2krs s ASN 29 Cb -0.03 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.69 2krs s ASN 29 CO 0.27 -1.85 0.17 0.59 -2.94 0.00 0.00 177.10 173.35 2krs n ASN 30 N -2.92 -5.85 -4.52 3.54 5.03 -0.63 -4.95 115.26 104.96 2krs n ASN 30 Ca 0.10 -0.09 -0.43 0.00 0.87 0.00 0.00 54.58 55.04 2krs n ASN 30 Cb 0.52 -4.83 -0.08 0.00 -1.02 0.00 0.00 39.78 34.37 2krs n ASN 30 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2krs s ASP 31 N -2.24 6.29 0.15 6.41 1.01 -1.22 -4.93 116.67 122.15 2krs s ASP 31 Ca 0.09 -0.36 -0.30 0.00 0.71 0.00 0.00 52.55 52.69 2krs s ASP 31 Cb -0.04 -2.28 -0.07 0.00 1.01 0.00 0.00 42.92 41.53 2krs s ASP 31 CO 0.11 -0.66 1.18 -0.54 0.21 0.00 0.00 175.17 175.47 2krs s LYS 32 N 2.54 4.50 0.10 8.23 1.02 -1.26 -2.27 119.74 132.60 2krs s LYS 32 Ca 0.19 1.82 0.01 0.00 0.02 0.00 0.00 55.97 58.01 2krs s LYS 32 Cb -0.15 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 2krs s LYS 32 CO 0.16 -0.10 -0.04 0.14 -0.92 0.00 0.00 175.35 174.59 2krs s VAL 33 N 0.19 0.58 -0.25 3.17 -7.23 0.73 -5.00 120.40 112.59 2krs s VAL 33 Ca 0.54 -1.92 -0.06 0.00 -1.81 0.00 0.00 61.98 58.72 2krs s VAL 33 Cb -0.31 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 2krs s VAL 33 CO 0.34 -0.82 0.05 -1.61 -0.31 0.00 0.00 175.10 172.75 2krs s GLU 34 N -3.87 3.49 -0.10 4.82 2.02 -1.25 -0.96 118.70 122.85 2krs s GLU 34 Ca 0.13 -0.58 -0.26 0.00 0.02 0.00 0.00 54.97 54.29 2krs s GLU 34 Cb 0.06 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.01 2krs s GLU 34 CO -0.04 -0.23 0.83 0.42 0.02 0.00 0.00 175.26 176.25 2krs s ILE 35 N 1.56 4.93 -0.07 -1.63 1.01 -1.26 -2.47 121.20 123.27 2krs s ILE 35 Ca 0.06 1.67 -0.06 0.00 0.00 0.00 0.00 60.65 62.32 2krs s ILE 35 Cb -0.15 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 2krs s ILE 35 CO 0.02 0.12 -0.11 -0.38 0.00 0.00 0.00 174.94 174.58 2krs n ILE 36 N 4.27 0.66 -3.81 2.92 -0.00 -0.20 -4.99 119.36 118.22 2krs n ILE 36 Ca 0.03 0.36 -0.10 0.00 -0.00 0.00 0.00 62.75 63.04 2krs n ILE 36 Cb 0.50 -1.90 -0.07 0.00 -0.00 0.00 0.00 39.64 38.17 2krs n ILE 36 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2krs s LYS 37 N -1.70 0.81 -0.19 0.38 1.02 -1.26 -5.00 119.74 113.81 2krs s LYS 37 Ca -0.09 -0.71 -0.02 0.00 0.02 0.00 0.00 55.97 55.16 2krs s LYS 37 Cb 0.01 0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 37.65 2krs s LYS 37 CO 0.14 -0.26 -0.09 -2.00 -0.92 0.00 0.00 175.35 172.23 2krs s GLU 38 N -3.10 3.35 -0.05 1.68 2.12 -1.26 -0.27 118.70 121.17 2krs s GLU 38 Ca -0.01 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.68 2krs s GLU 38 Cb 0.01 -2.84 0.01 0.00 0.26 0.00 0.00 34.13 31.57 2krs s GLU 38 CO -0.07 -0.06 -0.10 0.08 -0.54 0.00 0.00 175.26 174.57 2krs s VAL 39 N 1.07 0.94 -1.41 3.70 1.01 0.64 -4.79 120.40 121.55 2krs s VAL 39 Ca 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 2krs s VAL 39 Cb -0.15 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2krs s VAL 39 CO -0.01 0.30 0.38 0.47 0.00 0.00 0.00 175.10 176.23 2krs n ASP 40 N 3.62 -4.98 0.00 3.32 8.00 -1.26 -0.40 116.55 124.85 2krs n ASP 40 Ca -0.21 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.10 2krs n ASP 40 Cb 0.52 -4.10 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 2krs n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2krs n GLY 41 N -1.22 2.54 3.82 0.44 0.00 -1.26 -5.01 105.19 104.50 2krs n GLY 41 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 2krs n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2krs s TRP 42 N -2.61 3.77 -0.22 1.61 0.52 0.46 -4.31 118.94 118.16 2krs s TRP 42 Ca 0.00 1.22 -0.09 0.00 0.02 0.00 0.00 56.10 57.25 2krs s TRP 42 Cb 0.00 -2.46 -0.05 0.00 -1.15 0.00 0.00 33.47 29.81 2krs s TRP 42 CO 0.00 0.57 0.12 0.71 0.02 0.00 0.00 176.95 178.37 2krs s TYR 43 N -1.16 3.29 -0.05 -1.98 2.02 -1.19 -0.26 117.35 118.02 2krs s TYR 43 Ca 0.30 0.14 -0.28 0.00 -0.37 0.00 0.00 57.07 56.86 2krs s TYR 43 Cb -0.19 -2.20 -0.03 0.00 -0.40 0.00 0.00 41.96 39.14 2krs s TYR 43 CO 0.19 0.08 0.89 -2.00 -1.57 0.00 0.00 175.55 173.13 2krs s GLU 44 N 0.85 4.48 0.14 -0.62 2.12 0.63 -2.29 118.70 124.01 2krs s GLU 44 Ca 0.06 1.22 0.06 0.00 0.36 0.00 0.00 54.97 56.67 2krs s GLU 44 Cb -0.13 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 2krs s GLU 44 CO 0.03 -0.08 -0.13 0.96 -0.54 0.00 0.00 175.26 175.50 2krs s ILE 45 N 1.19 1.36 -0.07 -3.70 -4.36 0.15 -1.03 121.20 114.73 2krs s ILE 45 Ca 0.46 -1.89 0.03 0.00 -0.26 0.00 0.00 60.65 58.99 2krs s ILE 45 Cb -0.19 -1.70 0.00 0.00 1.25 0.00 0.00 42.46 41.82 2krs s ILE 45 CO 0.22 -0.54 -0.18 -0.60 0.24 0.00 0.00 174.94 174.09 2krs s ARG 46 N -3.12 2.20 -0.18 0.37 3.52 -1.03 -1.64 118.95 119.07 2krs s ARG 46 Ca 0.13 -0.63 -0.13 0.00 -0.13 0.00 0.00 55.73 54.97 2krs s ARG 46 Cb -0.02 -1.77 0.05 0.00 -1.56 0.00 0.00 34.95 31.65 2krs s ARG 46 CO 0.03 0.14 0.45 0.12 -0.81 0.00 0.00 175.30 175.23 2krs s PHE 47 N 0.38 -0.56 -1.47 5.12 5.36 0.59 -3.92 117.98 123.47 2krs s PHE 47 Ca -0.13 1.29 -0.05 0.00 -0.96 0.00 0.00 56.93 57.08 2krs s PHE 47 Cb -0.15 0.23 0.02 0.00 -0.34 0.00 0.00 43.02 42.78 2krs s PHE 47 CO 0.05 -0.29 0.47 0.09 -1.46 0.00 0.00 175.22 174.08 2krs n ASN 48 N 3.42 -5.33 0.00 6.13 5.03 -1.26 -0.22 115.26 123.04 2krs n ASN 48 Ca -0.17 -0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.03 2krs n ASN 48 Cb 0.56 -4.35 0.00 0.00 -1.02 0.00 0.00 39.78 34.97 2krs n ASN 48 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2krs n GLY 49 N -1.33 0.49 3.71 7.41 0.00 -1.26 -5.00 105.19 109.21 2krs n GLY 49 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 2krs n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krs s LYS 50 N -0.49 2.85 -0.08 1.61 1.02 0.70 -5.12 119.74 120.24 2krs s LYS 50 Ca 0.00 -0.58 0.05 0.00 0.02 0.00 0.00 55.97 55.45 2krs s LYS 50 Cb 0.00 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.59 2krs s LYS 50 CO 0.00 0.63 -0.23 0.08 -0.92 0.00 0.00 175.35 174.91 2krs s VAL 51 N -1.11 2.25 0.00 3.17 1.01 -1.26 -0.30 120.40 124.15 2krs s VAL 51 Ca 0.20 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2krs s VAL 51 Cb -0.12 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.42 2krs s VAL 51 CO 0.11 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.38 2krs n GLY 52 N 3.13 2.14 3.29 4.51 0.00 -0.65 -4.87 105.19 112.74 2krs n GLY 52 Ca -0.18 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 2krs n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2krs s TYR 53 N -8.15 1.60 0.04 1.61 1.51 0.22 -0.68 117.35 113.50 2krs s TYR 53 Ca 0.00 -0.54 -0.01 0.00 -1.01 0.00 0.00 57.07 55.51 2krs s TYR 53 Cb 0.00 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 41.02 2krs s TYR 53 CO 0.00 0.25 -0.03 0.00 -1.11 0.00 0.00 175.55 174.66 2krs s ALA 54 N -2.37 0.40 0.37 3.71 0.00 -0.97 -2.16 121.76 120.75 2krs s ALA 54 Ca 0.15 -1.03 -0.28 0.00 0.00 0.00 0.00 51.96 50.79 2krs s ALA 54 Cb -0.04 0.24 -0.10 0.00 0.00 0.00 0.00 23.12 23.22 2krs s ALA 54 CO 0.05 -0.31 1.41 0.45 0.00 0.00 0.00 175.76 177.35 2krs s SER 55 N -2.51 6.43 0.36 0.00 0.15 -1.26 -3.17 113.70 113.71 2krs s SER 55 Ca 0.00 2.89 0.15 0.00 0.70 0.00 0.00 55.95 59.69 2krs s SER 55 Cb 0.03 -2.66 0.70 0.00 -1.71 0.00 0.00 66.02 62.38 2krs s SER 55 CO -0.07 -0.79 1.78 0.07 1.20 0.00 0.00 173.24 175.43 2krs h LYS 56 N 3.03 0.00 -0.89 5.44 2.10 -1.92 -3.04 116.57 121.29 2krs h LYS 56 Ca -0.50 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.16 2krs h LYS 56 Cb 1.24 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.52 2krs h LYS 56 CO 0.64 0.40 0.59 0.77 -2.00 0.00 0.00 179.45 179.86 2krs h SER 57 N 0.00 1.02 -0.49 7.07 0.02 -1.93 -1.82 113.55 117.43 2krs h SER 57 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2krs h SER 57 Cb 0.77 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2krs h SER 57 CO 0.05 0.74 0.00 -1.22 -1.14 0.00 0.00 176.83 175.26 2krs n TYR 58 N -4.40 1.16 -4.96 3.45 4.01 -1.15 -4.86 117.16 110.41 2krs n TYR 58 Ca 0.10 -0.46 -0.32 0.00 -0.16 0.00 0.00 57.90 57.06 2krs n TYR 58 Cb 0.02 -0.21 -0.16 0.00 -0.31 0.00 0.00 39.34 38.68 2krs n TYR 58 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2krs s ILE 59 N -1.81 2.19 -0.10 -0.72 -1.09 -0.68 -2.94 121.20 116.06 2krs s ILE 59 Ca 0.39 -0.96 0.02 0.00 -2.23 0.00 0.00 60.65 57.87 2krs s ILE 59 Cb 0.25 -1.86 0.01 0.00 -1.58 0.00 0.00 42.46 39.28 2krs s ILE 59 CO 0.18 0.55 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.39 2krs s THR 60 N 0.52 1.51 -0.15 2.92 2.01 -1.01 -4.92 115.64 116.52 2krs s THR 60 Ca -0.14 -0.67 -0.22 0.00 0.31 0.00 0.00 61.69 60.97 2krs s THR 60 Cb -0.17 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 2krs s THR 60 CO 0.05 0.44 0.68 -0.63 -0.69 0.00 0.00 174.62 174.46 2krs s ILE 61 N 0.78 5.01 -0.39 1.82 1.01 -1.26 -2.56 121.20 125.61 2krs s ILE 61 Ca -0.11 1.32 -0.09 0.00 0.00 0.00 0.00 60.65 61.78 2krs s ILE 61 Cb -0.16 -4.00 0.06 0.00 0.01 0.00 0.00 42.46 38.38 2krs s ILE 61 CO 0.02 0.15 0.21 0.68 0.00 0.00 0.00 174.94 176.00 2krs s VAL 62 N 1.55 4.17 0.00 2.92 -7.23 -1.26 -4.74 120.40 115.80 2krs s VAL 62 Ca 0.33 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 2krs s VAL 62 Cb -0.16 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.30 2krs s VAL 62 CO 0.13 -0.39 0.21 -3.20 -0.31 0.00 0.00 175.10 171.54 2krs n ASN 63 N 4.90 -0.09 -4.77 4.85 5.15 -1.26 -4.74 115.26 119.30 2krs n ASN 63 Ca -0.11 -0.42 -0.40 0.00 -0.60 0.00 0.00 54.58 53.05 2krs n ASN 63 Cb 0.44 0.03 -0.02 0.00 -0.53 0.00 0.00 39.78 39.70 2krs n ASN 63 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2krs s GLU 64 N 0.00 4.23 -0.32 1.20 0.41 -1.26 -4.96 118.70 118.01 2krs s GLU 64 Ca 0.00 2.22 -0.05 0.00 -0.41 0.00 0.00 54.97 56.73 2krs s GLU 64 Cb 0.00 -2.98 0.25 0.00 -1.78 0.00 0.00 34.13 29.63 2krs s GLU 64 CO 0.00 -0.29 1.21 0.41 -0.49 0.00 0.00 175.26 176.10 2krs n GLY 65 N 0.73 -1.85 2.14 -1.39 0.00 -1.26 -5.11 105.19 98.46 2krs n GLY 65 Ca 0.01 1.18 0.00 0.00 0.00 0.00 0.00 46.02 47.21 2krs n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2krs n SER 66 N 1.92 -9.20 -4.78 1.61 7.64 -1.26 -4.91 113.62 104.64 2krs n SER 66 Ca 0.05 1.45 -0.37 0.00 1.01 0.00 0.00 58.87 61.01 2krs n SER 66 Cb 0.69 -5.22 -0.04 0.00 -1.01 0.00 0.00 64.21 58.63 2krs n SER 66 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2krs s LEU 67 N -0.54 4.15 0.00 -3.43 1.43 -1.26 -5.03 118.68 114.01 2krs s LEU 67 Ca 0.00 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 2krs s LEU 67 Cb 0.00 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 42.07 2krs s LEU 67 CO 0.00 -0.52 0.00 -0.62 0.23 0.00 0.00 176.35 175.44 2krs n GLU 68 N -0.03 0.00 -3.05 1.70 1.02 -1.26 -4.92 120.64 114.09 2krs n GLU 68 Ca 0.05 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.80 2krs n GLU 68 Cb 0.49 -0.22 -0.06 0.00 -0.02 0.00 0.00 31.44 31.63 2krs n GLU 68 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2krs s HIS 69 N 0.00 3.88 -0.12 -0.32 3.76 -1.26 -5.07 115.29 116.16 2krs s HIS 69 Ca 0.00 1.55 -0.18 0.00 -0.15 0.00 0.00 55.06 56.28 2krs s HIS 69 Cb 0.00 -2.71 0.04 0.00 1.11 0.00 0.00 32.58 31.03 2krs s HIS 69 CO 0.00 0.53 0.47 -1.58 -0.85 0.00 0.00 174.74 173.31 2krs s HIS 70 N -1.15 -0.46 0.35 1.40 2.46 -1.26 -5.16 115.29 111.47 2krs s HIS 70 Ca 0.34 1.03 -0.21 0.00 0.47 0.00 0.00 55.06 56.69 2krs s HIS 70 Cb -0.22 0.19 -0.10 0.00 -0.13 0.00 0.00 32.58 32.32 2krs s HIS 70 CO 0.25 -0.33 0.88 -1.01 -2.47 0.00 0.00 174.74 172.05 2krs s HIS 71 N -0.30 3.47 -0.31 3.88 3.76 -1.26 -4.51 115.29 120.02 2krs s HIS 71 Ca -0.05 1.55 -0.11 0.00 -0.15 0.00 0.00 55.06 56.31 2krs s HIS 71 Cb -0.03 -2.78 0.02 0.00 1.11 0.00 0.00 32.58 30.90 2krs s HIS 71 CO 0.03 0.08 0.28 1.58 -0.85 0.00 0.00 174.74 175.86 2krs n HIS 72 N -0.07 -2.91 -3.80 1.40 -0.00 -1.26 -5.04 115.22 103.54 2krs n HIS 72 Ca 0.04 1.24 -0.13 0.00 -0.00 0.00 0.00 57.72 58.87 2krs n HIS 72 Cb 0.52 -3.13 -0.13 0.00 -0.00 0.00 0.00 29.99 27.26 2krs n HIS 72 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2krs s HIS 73 N -1.78 -0.17 -2.00 1.57 5.04 -1.26 -5.30 115.29 111.39 2krs s HIS 73 Ca 0.13 0.44 0.21 0.00 -1.54 0.00 0.00 55.06 54.31 2krs s HIS 73 Cb -0.03 0.02 1.27 0.00 0.04 0.00 0.00 32.58 33.89 2krs s HIS 73 CO 0.65 -0.11 1.65 0.72 -2.34 0.00 0.00 174.74 175.31