#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 0.09 0.59 2.12 -0.21 -1.26 -4.32 119.66 116.67 2krs s GLN 2 Ca 0.00 0.01 -0.07 0.00 0.02 0.00 0.00 55.36 55.32 2krs s GLN 2 Cb 0.00 -1.62 0.00 0.00 1.00 0.00 0.00 33.01 32.39 2krs s GLN 2 CO 0.00 -0.65 0.92 0.20 -2.12 0.00 0.00 175.29 173.64 2krs s GLY 3 N 2.19 1.60 -0.08 3.09 0.00 -0.77 -4.50 107.32 108.85 2krs s GLY 3 Ca 0.03 -0.59 0.03 0.00 0.00 0.00 0.00 44.72 44.20 2krs s GLY 3 CO -0.09 -0.31 -0.17 0.14 0.00 0.00 0.00 173.10 172.66 2krs s VAL 4 N -3.02 1.51 -0.20 1.40 1.01 -1.07 -2.53 120.40 117.50 2krs s VAL 4 Ca 0.54 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 2krs s VAL 4 Cb -0.11 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2krs s VAL 4 CO 0.46 0.44 0.35 -0.69 0.00 0.00 0.00 175.10 175.66 2krs s VAL 5 N 0.52 5.24 -0.14 2.92 1.01 -1.08 -2.56 120.40 126.30 2krs s VAL 5 Ca -0.16 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 2krs s VAL 5 Cb -0.17 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.57 2krs s VAL 5 CO 0.06 0.28 -0.05 -0.75 0.00 0.00 0.00 175.10 174.64 2krs s LYS 6 N 1.16 1.39 0.04 2.72 2.20 -1.16 0.17 119.74 126.25 2krs s LYS 6 Ca 0.17 -0.38 -0.02 0.00 -0.36 0.00 0.00 55.97 55.38 2krs s LYS 6 Cb -0.14 -1.79 -0.03 0.00 -1.51 0.00 0.00 37.83 34.35 2krs s LYS 6 CO 0.07 -0.37 0.00 0.08 -0.36 0.00 0.00 175.35 174.77 2krs s VAL 7 N 1.69 0.17 -0.92 4.02 1.01 -1.26 -4.77 120.40 120.34 2krs s VAL 7 Ca 0.03 -1.38 0.28 0.00 0.00 0.00 0.00 61.98 60.91 2krs s VAL 7 Cb -0.14 -1.00 0.25 0.00 0.00 0.00 0.00 36.38 35.49 2krs s VAL 7 CO -0.08 -0.76 1.88 -0.46 0.00 0.00 0.00 175.10 175.68 2krs n ASN 8 N 0.69 0.25 -0.48 3.32 0.23 -1.26 -4.51 115.26 113.51 2krs n ASN 8 Ca -0.18 0.52 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 2krs n ASN 8 Cb 0.59 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 2krs n ASN 8 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2krs n SER 9 N -1.74 0.00 -4.77 0.53 7.64 -1.26 -5.10 113.62 108.93 2krs n SER 9 Ca 0.07 -0.48 -0.39 0.00 1.01 0.00 0.00 58.87 59.07 2krs n SER 9 Cb 0.37 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2krs n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2krs s ALA 10 N -1.00 3.23 -0.06 -0.43 0.00 -1.26 -4.62 121.76 117.61 2krs s ALA 10 Ca 0.00 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.24 2krs s ALA 10 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2krs s ALA 10 CO 0.00 -0.87 -0.16 -1.17 0.00 0.00 0.00 175.76 173.56 2krs s LEU 11 N -2.52 1.83 0.31 0.00 2.96 -0.78 -4.96 118.68 115.52 2krs s LEU 11 Ca 0.58 -0.36 -0.28 0.00 -0.22 0.00 0.00 54.13 53.85 2krs s LEU 11 Cb -0.38 -0.98 -0.09 0.00 0.50 0.00 0.00 46.19 45.23 2krs s LEU 11 CO 0.49 0.10 1.00 0.54 -1.32 0.00 0.00 176.35 177.16 2krs s ASN 12 N 0.36 7.29 -0.08 3.68 2.20 -1.26 0.31 114.94 127.44 2krs s ASN 12 Ca -0.11 2.02 0.01 0.00 -0.94 0.00 0.00 52.86 53.84 2krs s ASN 12 Cb -0.14 -2.60 -0.03 0.00 -2.00 0.00 0.00 41.25 36.48 2krs s ASN 12 CO 0.04 -0.11 -0.09 -0.32 -2.94 0.00 0.00 177.10 173.68 2krs s MET 13 N -1.76 2.81 -0.05 3.55 1.75 -0.70 -4.87 119.30 120.03 2krs s MET 13 Ca 0.48 -0.59 0.01 0.00 -1.25 0.00 0.00 55.69 54.33 2krs s MET 13 Cb -0.25 -2.57 -0.03 0.00 2.84 0.00 0.00 34.83 34.82 2krs s MET 13 CO 0.31 0.59 -0.04 1.03 -0.65 0.00 0.00 175.02 176.26 2krs s ARG 14 N -0.61 2.79 0.17 4.11 3.00 -1.12 -2.25 118.95 125.04 2krs s ARG 14 Ca 0.09 -0.54 -0.12 0.00 0.00 0.00 0.00 55.73 55.16 2krs s ARG 14 Cb -0.12 -2.64 0.07 0.00 0.00 0.00 0.00 34.95 32.26 2krs s ARG 14 CO 0.02 0.66 1.72 1.03 0.00 0.00 0.00 175.30 178.73 2krs h SER 15 N 5.00 0.82 -0.48 0.23 0.87 -1.80 0.62 113.55 118.80 2krs h SER 15 Ca -0.49 -0.18 -0.57 0.00 -1.23 0.00 0.00 61.79 59.31 2krs h SER 15 Cb 1.18 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.89 2krs h SER 15 CO 0.54 0.78 -0.24 -0.83 -0.53 0.00 0.00 176.83 176.55 2krs s GLY 16 N -3.16 2.24 -1.36 5.77 0.00 -1.26 -4.19 107.32 105.36 2krs s GLY 16 Ca -0.13 -1.38 -0.14 0.00 0.00 0.00 0.00 44.72 43.08 2krs s GLY 16 CO 0.80 -1.91 1.97 -1.55 0.00 0.00 0.00 173.10 172.41 2krs n PRO 17 N -1.92 3.14 0.00 2.90 -0.04 -1.26 -4.34 135.00 133.49 2krs n PRO 17 Ca 0.02 -3.07 0.00 0.00 -0.04 0.00 0.00 63.50 60.41 2krs n PRO 17 Cb 0.64 -3.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 2krs n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2krs n GLY 18 N 4.09 1.39 0.01 0.55 0.00 -1.26 -5.00 105.19 104.96 2krs n GLY 18 Ca 0.47 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2krs n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2krs n SER 19 N 0.00 0.17 -0.56 1.61 7.64 -1.26 -3.27 113.62 117.95 2krs n SER 19 Ca 0.00 0.33 0.10 0.00 1.01 0.00 0.00 58.87 60.31 2krs n SER 19 Cb 0.00 -0.34 0.35 0.00 -1.01 0.00 0.00 64.21 63.21 2krs n SER 19 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2krs n ASN 20 N -1.56 1.69 -0.55 6.43 5.03 -1.26 -3.62 115.26 121.42 2krs n ASN 20 Ca 0.07 -1.74 0.13 0.00 0.87 0.00 0.00 54.58 53.91 2krs n ASN 20 Cb 0.35 -0.12 0.42 0.00 -1.02 0.00 0.00 39.78 39.40 2krs n ASN 20 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2krs n TYR 21 N 0.35 0.00 -0.78 3.10 4.01 -1.20 -5.06 117.16 117.58 2krs n TYR 21 Ca 0.16 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.91 2krs n TYR 21 Cb 0.32 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.34 2krs n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2krs n GLY 22 N 1.23 -2.21 3.28 2.72 0.00 -1.24 -4.55 105.19 104.43 2krs n GLY 22 Ca 0.17 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.91 2.71 -0.99 1.61 0.11 -1.26 -4.25 120.40 117.42 2krs s VAL 23 Ca 0.00 -0.76 0.17 0.00 -2.93 0.00 0.00 61.98 58.46 2krs s VAL 23 Cb 0.00 -2.14 -0.15 0.00 -1.53 0.00 0.00 36.38 32.56 2krs s VAL 23 CO 0.00 0.52 0.78 2.30 -3.33 0.00 0.00 175.10 175.37 2krs n ILE 24 N 3.91 0.00 -3.92 7.04 -5.35 -0.96 -5.01 119.36 115.08 2krs n ILE 24 Ca -0.19 -0.13 0.01 0.00 -0.27 0.00 0.00 62.75 62.16 2krs n ILE 24 Cb 0.52 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.47 2krs n ILE 24 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2krs n GLY 25 N 1.38 0.49 3.20 3.28 0.00 -1.26 -5.05 105.19 107.23 2krs n GLY 25 Ca 0.04 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.09 0.93 0.17 2.61 -4.23 -1.26 -1.73 115.64 110.04 2krs s THR 26 Ca 0.05 -1.88 0.10 0.00 -1.18 0.00 0.00 61.69 58.79 2krs s THR 26 Cb -0.00 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 72.17 2krs s THR 26 CO -0.00 -0.73 -0.22 -0.76 -0.54 0.00 0.00 174.62 172.37 2krs s LEU 27 N -2.89 2.41 0.07 4.79 1.43 0.15 -4.90 118.68 119.75 2krs s LEU 27 Ca 0.11 -0.84 0.08 0.00 -1.03 0.00 0.00 54.13 52.45 2krs s LEU 27 Cb 0.02 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 2krs s LEU 27 CO -0.01 0.06 -0.21 -0.13 0.23 0.00 0.00 176.35 176.29 2krs s ARG 28 N -2.60 1.29 0.93 1.70 0.52 -1.26 -1.86 118.95 117.67 2krs s ARG 28 Ca 0.17 -1.05 -0.13 0.00 -0.52 0.00 0.00 55.73 54.20 2krs s ARG 28 Cb -0.07 -1.48 0.02 0.00 0.52 0.00 0.00 34.95 33.94 2krs s ARG 28 CO 0.08 0.36 0.38 0.27 0.02 0.00 0.00 175.30 176.41 2krs n ASN 29 N 1.50 -2.12 0.00 0.23 6.94 -1.26 -2.21 115.26 118.33 2krs n ASN 29 Ca -0.18 0.35 0.00 0.00 -0.02 0.00 0.00 54.58 54.73 2krs n ASN 29 Cb 0.53 -1.19 0.00 0.00 -2.36 0.00 0.00 39.78 36.76 2krs n ASN 29 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2krs n ASN 30 N -1.06 -4.46 -4.59 0.53 5.15 0.13 -4.95 115.26 106.00 2krs n ASN 30 Ca 0.07 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.62 2krs n ASN 30 Cb 0.53 -2.35 -0.04 0.00 -0.53 0.00 0.00 39.78 37.39 2krs n ASN 30 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2krs s ASP 31 N -2.03 6.63 0.17 1.20 1.11 -0.94 -4.88 116.67 117.92 2krs s ASP 31 Ca 0.00 0.47 -0.30 0.00 0.18 0.00 0.00 52.55 52.90 2krs s ASP 31 Cb 0.00 -2.45 -0.07 0.00 1.07 0.00 0.00 42.92 41.47 2krs s ASP 31 CO 0.00 -0.86 1.00 -0.54 1.18 0.00 0.00 175.17 175.95 2krs s LYS 32 N 3.44 4.72 0.13 8.23 1.02 -1.26 -2.64 119.74 133.38 2krs s LYS 32 Ca 0.37 1.55 0.01 0.00 0.02 0.00 0.00 55.97 57.91 2krs s LYS 32 Cb -0.12 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2krs s LYS 32 CO 0.19 0.27 -0.00 0.14 -0.92 0.00 0.00 175.35 175.03 2krs s VAL 33 N -0.47 0.45 -0.23 3.17 -7.23 -1.05 -5.01 120.40 110.03 2krs s VAL 33 Ca 0.46 -1.93 -0.09 0.00 -1.81 0.00 0.00 61.98 58.61 2krs s VAL 33 Cb -0.26 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 2krs s VAL 33 CO 0.32 -0.64 0.11 -0.70 -0.31 0.00 0.00 175.10 173.89 2krs s GLU 34 N -3.93 3.89 -0.27 4.82 2.56 -1.25 -1.84 118.70 122.66 2krs s GLU 34 Ca 0.19 -0.37 -0.13 0.00 0.00 0.00 0.00 54.97 54.66 2krs s GLU 34 Cb 0.07 -3.40 -0.04 0.00 2.00 0.00 0.00 34.13 32.75 2krs s GLU 34 CO -0.01 -0.01 0.30 0.42 -0.56 0.00 0.00 175.26 175.40 2krs s ILE 35 N 1.18 5.23 -0.10 -3.70 1.01 -1.26 -2.51 121.20 121.06 2krs s ILE 35 Ca 0.06 0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.92 2krs s ILE 35 Cb -0.14 -3.63 -0.28 0.00 0.01 0.00 0.00 42.46 38.42 2krs s ILE 35 CO 0.04 0.20 0.66 0.40 0.00 0.00 0.00 174.94 176.24 2krs h ILE 36 N 5.37 1.24 -1.95 2.92 2.04 -1.89 -3.48 117.51 121.76 2krs h ILE 36 Ca -0.33 -2.42 0.29 0.00 1.00 0.00 0.00 64.86 63.40 2krs h ILE 36 Cb 1.17 2.89 -0.08 0.00 -0.74 0.00 0.00 36.82 40.06 2krs h ILE 36 CO 0.61 0.67 0.78 -1.59 0.00 0.00 0.00 178.15 178.62 2krs s LYS 37 N -2.43 0.62 -0.15 2.37 -2.85 -1.26 -5.05 119.74 110.99 2krs s LYS 37 Ca -0.18 -0.38 0.02 0.00 -1.00 0.00 0.00 55.97 54.42 2krs s LYS 37 Cb 0.03 0.19 0.01 0.00 -2.06 0.00 0.00 37.83 35.99 2krs s LYS 37 CO 0.77 -0.29 -0.19 -2.00 0.10 0.00 0.00 175.35 173.74 2krs s GLU 38 N -2.31 3.10 -0.07 1.78 2.12 -1.26 -1.42 118.70 120.64 2krs s GLU 38 Ca 0.21 -0.81 0.03 0.00 0.36 0.00 0.00 54.97 54.76 2krs s GLU 38 Cb 0.01 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.89 2krs s GLU 38 CO -0.01 -0.01 -0.17 0.08 -0.54 0.00 0.00 175.26 174.61 2krs s VAL 39 N 0.84 1.50 -1.41 3.70 1.01 0.13 -4.72 120.40 121.44 2krs s VAL 39 Ca -0.06 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2krs s VAL 39 Cb -0.15 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2krs s VAL 39 CO -0.02 0.43 0.00 0.47 0.00 0.00 0.00 175.10 175.99 2krs n ASP 40 N 3.50 -4.54 0.00 3.32 8.00 -1.26 0.33 116.55 125.91 2krs n ASP 40 Ca -0.20 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2krs n ASP 40 Cb 0.52 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 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 -0.74 2.22 3.84 0.44 0.00 -1.26 -5.02 105.19 104.66 2krs n GLY 41 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.43 3.61 -0.19 1.61 0.52 0.15 -4.40 118.94 117.82 2krs s TRP 42 Ca 0.00 1.16 -0.09 0.00 0.02 0.00 0.00 56.10 57.19 2krs s TRP 42 Cb 0.00 -2.45 -0.05 0.00 -1.15 0.00 0.00 33.47 29.82 2krs s TRP 42 CO 0.00 0.39 0.11 0.71 0.02 0.00 0.00 176.95 178.18 2krs s TYR 43 N -1.50 3.37 -0.10 -1.98 2.02 -1.14 0.20 117.35 118.21 2krs s TYR 43 Ca 0.40 0.26 -0.22 0.00 -0.37 0.00 0.00 57.07 57.14 2krs s TYR 43 Cb -0.15 -2.12 -0.03 0.00 -0.40 0.00 0.00 41.96 39.25 2krs s TYR 43 CO 0.20 0.27 0.65 -2.00 -1.57 0.00 0.00 175.55 173.10 2krs s GLU 44 N 0.28 4.38 0.09 -0.62 2.12 -0.51 -2.32 118.70 122.11 2krs s GLU 44 Ca 0.07 0.76 0.06 0.00 0.36 0.00 0.00 54.97 56.22 2krs s GLU 44 Cb -0.11 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 2krs s GLU 44 CO -0.01 0.02 -0.16 0.96 -0.54 0.00 0.00 175.26 175.52 2krs s ILE 45 N 1.01 1.31 -0.10 -3.70 -4.36 -0.74 -2.51 121.20 112.10 2krs s ILE 45 Ca 0.34 -1.42 0.04 0.00 -0.26 0.00 0.00 60.65 59.35 2krs s ILE 45 Cb -0.17 -1.26 0.00 0.00 1.25 0.00 0.00 42.46 42.28 2krs s ILE 45 CO 0.15 -0.20 -0.23 -0.60 0.24 0.00 0.00 174.94 174.30 2krs s ARG 46 N -1.89 3.01 -0.10 0.37 3.52 -1.04 -1.77 118.95 121.05 2krs s ARG 46 Ca 0.02 -0.87 -0.06 0.00 -0.13 0.00 0.00 55.73 54.69 2krs s ARG 46 Cb -0.09 -2.29 0.04 0.00 -1.56 0.00 0.00 34.95 31.04 2krs s ARG 46 CO 0.03 0.15 0.24 0.12 -0.81 0.00 0.00 175.30 175.03 2krs s PHE 47 N 0.40 -0.31 -1.53 5.12 5.36 0.01 -3.96 117.98 123.08 2krs s PHE 47 Ca -0.18 0.74 -0.01 0.00 -0.96 0.00 0.00 56.93 56.52 2krs s PHE 47 Cb -0.18 0.05 0.01 0.00 -0.34 0.00 0.00 43.02 42.56 2krs s PHE 47 CO 0.08 -0.20 0.14 -1.71 -1.46 0.00 0.00 175.22 172.06 2krs n ASN 48 N 3.92 -5.33 0.00 6.13 2.85 -1.26 -0.10 115.26 121.48 2krs n ASN 48 Ca -0.22 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.21 2krs n ASN 48 Cb 0.54 -4.42 0.00 0.00 1.24 0.00 0.00 39.78 37.14 2krs n ASN 48 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2krs n GLY 49 N -1.06 0.64 3.86 8.20 0.00 -1.26 -5.01 105.19 110.56 2krs n GLY 49 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.24 3.22 -0.09 1.61 1.02 0.86 -5.11 119.74 121.01 2krs s LYS 50 Ca 0.00 -0.55 0.03 0.00 0.02 0.00 0.00 55.97 55.47 2krs s LYS 50 Cb 0.00 -2.91 -0.01 0.00 -0.52 0.00 0.00 37.83 34.39 2krs s LYS 50 CO 0.00 0.59 -0.18 0.08 -0.92 0.00 0.00 175.35 174.92 2krs s VAL 51 N -1.48 2.62 0.00 3.17 1.01 -1.26 -0.81 120.40 123.66 2krs s VAL 51 Ca 0.33 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2krs s VAL 51 Cb -0.13 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.21 2krs s VAL 51 CO 0.26 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.52 2krs n GLY 52 N 3.20 2.99 3.09 4.51 0.00 -0.73 -4.61 105.19 113.65 2krs n GLY 52 Ca -0.18 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 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 -5.26 0.57 0.00 1.61 1.51 0.21 -1.79 117.35 114.21 2krs s TYR 53 Ca 0.00 -0.99 -0.06 0.00 -1.01 0.00 0.00 57.07 55.01 2krs s TYR 53 Cb 0.00 -0.40 -0.00 0.00 -0.11 0.00 0.00 41.96 41.45 2krs s TYR 53 CO 0.00 -0.32 0.12 0.00 -1.11 0.00 0.00 175.55 174.24 2krs s ALA 54 N -3.63 -0.28 0.51 3.71 0.00 -0.98 -2.78 121.76 118.32 2krs s ALA 54 Ca 0.06 -0.16 -0.22 0.00 0.00 0.00 0.00 51.96 51.64 2krs s ALA 54 Cb 0.06 0.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.22 2krs s ALA 54 CO -0.08 -0.20 1.23 -1.12 0.00 0.00 0.00 175.76 175.59 2krs s SER 55 N -1.34 5.70 0.59 0.00 0.01 -1.26 -2.90 113.70 114.49 2krs s SER 55 Ca -0.14 2.45 0.36 0.00 1.31 0.00 0.00 55.95 59.92 2krs s SER 55 Cb -0.08 -2.61 1.79 0.00 0.21 0.00 0.00 66.02 65.34 2krs s SER 55 CO 0.01 -1.25 2.16 0.07 0.41 0.00 0.00 173.24 174.64 2krs h LYS 56 N 1.61 0.00 -0.78 12.44 2.10 -1.89 -2.55 116.57 127.50 2krs h LYS 56 Ca -0.50 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.10 2krs h LYS 56 Cb 1.27 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.57 2krs h LYS 56 CO 0.58 0.04 0.31 0.77 -2.00 0.00 0.00 179.45 179.15 2krs h SER 57 N 0.00 1.08 -0.49 7.07 0.02 -1.95 -2.70 113.55 116.58 2krs h SER 57 Ca -0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2krs h SER 57 Cb 0.26 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2krs h SER 57 CO 0.00 0.96 0.00 -1.22 -1.14 0.00 0.00 176.83 175.43 2krs n TYR 58 N -4.29 0.65 -4.86 3.45 4.01 -0.97 -4.86 117.16 110.28 2krs n TYR 58 Ca 0.07 -0.33 -0.32 0.00 -0.16 0.00 0.00 57.90 57.16 2krs n TYR 58 Cb 0.19 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.35 2.00 -0.09 -0.72 -1.09 -1.02 -3.01 121.20 115.92 2krs s ILE 59 Ca 0.38 -0.96 0.02 0.00 -2.23 0.00 0.00 60.65 57.87 2krs s ILE 59 Cb 0.20 -1.75 0.01 0.00 -1.58 0.00 0.00 42.46 39.34 2krs s ILE 59 CO 0.27 0.54 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.48 2krs s THR 60 N 0.64 1.48 -0.09 2.92 2.01 -1.06 -4.84 115.64 116.71 2krs s THR 60 Ca -0.12 -0.66 -0.25 0.00 0.31 0.00 0.00 61.69 60.98 2krs s THR 60 Cb -0.16 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 2krs s THR 60 CO 0.02 0.43 0.77 -0.63 -0.69 0.00 0.00 174.62 174.53 2krs s ILE 61 N 0.75 4.98 0.31 1.82 -1.09 -1.26 -2.59 121.20 124.11 2krs s ILE 61 Ca -0.12 1.57 -0.28 0.00 -2.23 0.00 0.00 60.65 59.58 2krs s ILE 61 Cb -0.16 -4.10 -0.09 0.00 -1.58 0.00 0.00 42.46 36.53 2krs s ILE 61 CO 0.02 0.17 1.11 0.68 -1.23 0.00 0.00 174.94 175.70 2krs s VAL 62 N 1.25 3.44 0.15 2.92 -7.23 -1.26 -4.97 120.40 114.70 2krs s VAL 62 Ca 0.39 1.38 -0.31 0.00 -1.81 0.00 0.00 61.98 61.63 2krs s VAL 62 Cb -0.18 -3.86 -0.10 0.00 0.56 0.00 0.00 36.38 32.81 2krs s VAL 62 CO 0.18 0.28 1.60 0.54 -0.31 0.00 0.00 175.10 177.38 2krs s ASN 63 N -0.96 6.57 0.40 4.85 4.22 -1.26 -4.95 114.94 123.81 2krs s ASN 63 Ca 0.47 2.62 -0.26 0.00 -2.14 0.00 0.00 52.86 53.55 2krs s ASN 63 Cb -0.31 -2.59 -0.09 0.00 1.28 0.00 0.00 41.25 39.54 2krs s ASN 63 CO 0.40 -0.85 1.29 -1.61 -2.04 0.00 0.00 177.10 174.29 2krs s GLU 64 N 1.39 4.03 0.35 3.55 2.02 -1.26 -4.96 118.70 123.81 2krs s GLU 64 Ca 0.71 2.13 -0.28 0.00 0.02 0.00 0.00 54.97 57.55 2krs s GLU 64 Cb -0.44 -2.79 -0.10 0.00 0.10 0.00 0.00 34.13 30.91 2krs s GLU 64 CO 0.31 -0.43 1.30 0.20 0.02 0.00 0.00 175.26 176.66 2krs s GLY 65 N -0.75 2.98 -0.27 -1.39 0.00 -1.26 -4.99 107.32 101.64 2krs s GLY 65 Ca 0.56 1.24 -0.15 0.00 0.00 0.00 0.00 44.72 46.37 2krs s GLY 65 CO 0.48 1.88 0.38 -0.56 0.00 0.00 0.00 173.10 175.28 2krs s SER 66 N -0.55 6.25 0.00 1.64 0.01 -1.26 -4.93 113.70 114.86 2krs s SER 66 Ca 0.50 0.26 0.23 0.00 1.31 0.00 0.00 55.95 58.25 2krs s SER 66 Cb -0.39 -2.21 0.46 0.00 0.21 0.00 0.00 66.02 64.09 2krs s SER 66 CO 0.52 -0.20 1.42 0.00 0.41 0.00 0.00 173.24 175.38 2krs n LEU 67 N 5.35 3.19 -0.27 2.44 -0.00 -1.26 -4.34 117.00 122.10 2krs n LEU 67 Ca -0.08 -1.35 -0.03 0.00 -0.00 0.00 0.00 56.01 54.55 2krs n LEU 67 Cb 0.51 -0.21 0.13 0.00 -0.00 0.00 0.00 43.42 43.84 2krs n LEU 67 CO 0.37 0.67 1.13 -0.33 -0.00 0.00 0.00 177.39 179.23 2krs h GLU 68 N 4.18 1.13 -2.70 1.47 4.39 -2.03 -3.38 114.58 117.64 2krs h GLU 68 Ca 0.00 -0.15 -0.52 0.00 0.34 0.00 0.00 59.36 59.03 2krs h GLU 68 Cb 0.92 -0.21 -0.39 0.00 -0.10 0.00 0.00 28.75 28.97 2krs h GLU 68 CO 0.00 0.86 -0.78 -3.38 -1.16 0.00 0.00 179.01 174.55 2krs s HIS 69 N -5.67 0.29 -0.16 4.33 -3.43 -1.26 -5.00 115.29 104.40 2krs s HIS 69 Ca -0.12 -0.91 -0.16 0.00 -0.80 0.00 0.00 55.06 53.07 2krs s HIS 69 Cb 0.17 -0.86 -0.23 0.00 -1.43 0.00 0.00 32.58 30.23 2krs s HIS 69 CO 0.82 -0.84 0.35 1.12 -2.00 0.00 0.00 174.74 174.19 2krs h HIS 70 N 8.21 0.25 -3.31 0.38 2.07 -1.84 -3.49 115.15 117.41 2krs h HIS 70 Ca -0.16 -0.18 -0.11 0.00 -2.85 0.00 0.00 60.37 57.07 2krs h HIS 70 Cb 1.01 -0.01 -0.18 0.00 2.57 0.00 0.00 27.41 30.80 2krs h HIS 70 CO 0.31 1.59 -0.32 -1.01 -3.07 0.00 0.00 177.93 175.42 2krs s HIS 71 N -2.45 -0.07 -0.30 6.12 3.76 -1.26 -5.16 115.29 115.94 2krs s HIS 71 Ca -0.25 -0.02 -0.10 0.00 -0.15 0.00 0.00 55.06 54.54 2krs s HIS 71 Cb 0.06 0.05 0.13 0.00 1.11 0.00 0.00 32.58 33.93 2krs s HIS 71 CO 0.69 -0.43 0.68 -1.58 -0.85 0.00 0.00 174.74 173.25 2krs s HIS 72 N -2.07 -1.29 -0.18 1.40 5.04 -1.26 -5.15 115.29 111.78 2krs s HIS 72 Ca -0.09 2.22 -0.01 0.00 -1.54 0.00 0.00 55.06 55.64 2krs s HIS 72 Cb -0.03 0.77 -0.00 0.00 0.04 0.00 0.00 32.58 33.36 2krs s HIS 72 CO -0.01 -0.64 -0.12 -1.58 -2.34 0.00 0.00 174.74 170.06 2krs s HIS 73 N 2.86 2.85 -0.50 3.88 2.46 -1.26 -5.30 115.29 120.28 2krs s HIS 73 Ca -0.05 -1.03 0.00 0.00 0.47 0.00 0.00 55.06 54.45 2krs s HIS 73 Cb -0.11 -1.96 0.00 0.00 -0.13 0.00 0.00 32.58 30.37 2krs s HIS 73 CO -0.19 -0.50 0.12 0.72 -2.47 0.00 0.00 174.74 172.42