#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 0.15 0.45 2.12 -0.21 -1.26 -4.57 119.66 116.33 2krs s GLN 2 Ca 0.00 -0.00 -0.07 0.00 0.02 0.00 0.00 55.36 55.31 2krs s GLN 2 Cb 0.00 -1.41 -0.05 0.00 1.00 0.00 0.00 33.01 32.56 2krs s GLN 2 CO 0.00 -0.72 0.77 0.20 -2.12 0.00 0.00 175.29 173.42 2krs s GLY 3 N 2.23 1.65 -0.05 3.09 0.00 0.13 -3.99 107.32 110.39 2krs s GLY 3 Ca 0.05 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.39 2krs s GLY 3 CO -0.15 -0.24 -0.14 0.14 0.00 0.00 0.00 173.10 172.70 2krs s VAL 4 N -2.60 1.26 -0.16 1.40 1.01 -1.04 -1.17 120.40 119.10 2krs s VAL 4 Ca 0.48 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 2krs s VAL 4 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2krs s VAL 4 CO 0.40 0.37 0.42 -0.69 0.00 0.00 0.00 175.10 175.61 2krs s VAL 5 N 0.29 5.21 -0.24 2.92 1.01 -0.92 -1.83 120.40 126.84 2krs s VAL 5 Ca -0.08 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 62.69 2krs s VAL 5 Cb -0.13 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.56 2krs s VAL 5 CO 0.03 0.30 0.04 -0.54 0.00 0.00 0.00 175.10 174.93 2krs s LYS 6 N 0.88 0.86 0.04 2.72 1.02 -0.64 -0.09 119.74 124.53 2krs s LYS 6 Ca 0.22 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.48 2krs s LYS 6 Cb -0.15 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 2krs s LYS 6 CO 0.08 -0.74 -0.04 0.54 -0.92 0.00 0.00 175.35 174.27 2krs s VAL 7 N 1.69 0.29 0.18 3.17 0.11 -1.26 -4.75 120.40 119.83 2krs s VAL 7 Ca 0.01 -1.32 -0.12 0.00 -2.93 0.00 0.00 61.98 57.63 2krs s VAL 7 Cb -0.17 -0.85 0.09 0.00 -1.53 0.00 0.00 36.38 33.92 2krs s VAL 7 CO -0.13 -0.67 1.78 0.78 -3.33 0.00 0.00 175.10 173.54 2krs h ASN 8 N 4.00 0.81 -0.06 3.54 2.35 -2.01 -3.41 115.58 120.78 2krs h ASN 8 Ca -0.34 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2krs h ASN 8 Cb 1.18 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.35 2krs h ASN 8 CO 0.51 0.69 0.00 -1.54 -1.65 0.00 0.00 177.43 175.44 2krs n SER 9 N -4.52 0.12 -4.77 5.81 3.41 -1.26 -5.03 113.62 107.39 2krs n SER 9 Ca 0.04 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.26 2krs n SER 9 Cb 0.11 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 2krs n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2krs s ALA 10 N -2.00 3.22 -0.09 7.33 0.00 -1.26 -4.51 121.76 124.44 2krs s ALA 10 Ca 0.00 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.16 2krs s ALA 10 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2krs s ALA 10 CO 0.00 -0.75 -0.21 -1.17 0.00 0.00 0.00 175.76 173.62 2krs s LEU 11 N -2.47 1.99 0.21 0.00 2.96 -0.22 -4.98 118.68 116.17 2krs s LEU 11 Ca 0.57 -0.50 -0.27 0.00 -0.22 0.00 0.00 54.13 53.72 2krs s LEU 11 Cb -0.36 -1.27 -0.09 0.00 0.50 0.00 0.00 46.19 44.97 2krs s LEU 11 CO 0.46 0.14 0.86 0.54 -1.32 0.00 0.00 176.35 177.02 2krs s ASN 12 N 0.37 7.48 -0.09 3.68 2.20 -1.26 -0.09 114.94 127.23 2krs s ASN 12 Ca -0.17 1.78 -0.01 0.00 -0.94 0.00 0.00 52.86 53.52 2krs s ASN 12 Cb -0.17 -2.55 -0.03 0.00 -2.00 0.00 0.00 41.25 36.50 2krs s ASN 12 CO 0.07 0.16 -0.03 -0.32 -2.94 0.00 0.00 177.10 174.05 2krs s MET 13 N -1.27 3.00 0.21 3.55 1.75 -0.98 -4.91 119.30 120.66 2krs s MET 13 Ca 0.39 -0.47 0.06 0.00 -1.25 0.00 0.00 55.69 54.43 2krs s MET 13 Cb -0.24 -2.74 -0.04 0.00 2.84 0.00 0.00 34.83 34.65 2krs s MET 13 CO 0.28 0.63 0.15 1.03 -0.65 0.00 0.00 175.02 176.46 2krs s ARG 14 N -0.69 2.85 0.00 4.11 3.00 -0.97 -2.28 118.95 124.97 2krs s ARG 14 Ca 0.11 -0.99 0.29 0.00 0.00 0.00 0.00 55.73 55.14 2krs s ARG 14 Cb -0.12 -2.57 1.32 0.00 0.00 0.00 0.00 34.95 33.58 2krs s ARG 14 CO 0.02 0.44 1.93 -1.13 0.00 0.00 0.00 175.30 176.56 2krs n SER 15 N -0.72 0.20 -1.95 0.23 3.41 -1.26 0.69 113.62 114.22 2krs n SER 15 Ca -0.08 -0.22 -0.04 0.00 -0.26 0.00 0.00 58.87 58.28 2krs n SER 15 Cb 0.56 -0.21 0.01 0.00 -0.26 0.00 0.00 64.21 64.32 2krs n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2krs n GLY 16 N 1.33 1.35 3.49 5.00 0.00 -1.26 -4.72 105.19 110.37 2krs n GLY 16 Ca 0.13 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 2krs n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2krs n PRO 17 N -0.29 3.19 0.00 1.61 -0.04 -1.26 -4.69 135.00 133.52 2krs n PRO 17 Ca -0.03 -3.28 0.00 0.00 -0.04 0.00 0.00 63.50 60.15 2krs n PRO 17 Cb 0.29 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.31 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 5.15 2.32 0.00 0.55 0.00 -1.26 -5.00 105.19 106.96 2krs n GLY 18 Ca 0.48 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.63 2krs n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2krs n SER 19 N 0.00 0.00 -0.54 1.61 3.41 -1.26 -2.60 113.62 114.24 2krs n SER 19 Ca 0.00 0.22 0.09 0.00 -0.26 0.00 0.00 58.87 58.92 2krs n SER 19 Cb 0.00 -0.39 0.33 0.00 -0.26 0.00 0.00 64.21 63.90 2krs n SER 19 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2krs n ASN 20 N -1.39 1.60 -0.51 4.04 5.03 -1.26 -3.61 115.26 119.16 2krs n ASN 20 Ca 0.08 -1.76 0.14 0.00 0.87 0.00 0.00 54.58 53.91 2krs n ASN 20 Cb 0.21 -0.13 0.45 0.00 -1.02 0.00 0.00 39.78 39.30 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 0.30 0.00 -0.50 3.10 4.02 -1.07 -5.06 117.16 117.96 2krs n TYR 21 Ca 0.15 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.10 2krs n TYR 21 Cb 0.30 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.59 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 1.21 -1.88 3.53 2.72 0.00 -1.24 -4.55 105.19 104.99 2krs n GLY 22 Ca 0.18 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.98 4.43 -1.86 1.61 0.11 -1.26 -4.29 120.40 117.16 2krs s VAL 23 Ca 0.00 -0.15 0.21 0.00 -2.93 0.00 0.00 61.98 59.11 2krs s VAL 23 Cb 0.00 -3.02 -0.01 0.00 -1.53 0.00 0.00 36.38 31.82 2krs s VAL 23 CO 0.00 0.41 1.01 2.30 -3.33 0.00 0.00 175.10 175.49 2krs n ILE 24 N 4.18 0.00 -3.78 7.04 -5.35 -0.96 -5.00 119.36 115.49 2krs n ILE 24 Ca -0.16 -0.28 0.01 0.00 -0.27 0.00 0.00 62.75 62.04 2krs n ILE 24 Cb 0.52 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.66 2krs n ILE 24 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2krs s GLY 25 N -2.29 -0.25 -0.07 3.28 0.00 -1.26 -5.05 107.32 101.69 2krs s GLY 25 Ca 0.17 0.31 0.04 0.00 0.00 0.00 0.00 44.72 45.24 2krs s GLY 25 CO 0.52 2.11 -0.18 -1.59 0.00 0.00 0.00 173.10 173.96 2krs s THR 26 N -2.33 1.51 -0.01 0.90 2.01 -1.26 -2.31 115.64 114.15 2krs s THR 26 Ca 0.20 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.48 2krs s THR 26 Cb 0.02 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2krs s THR 26 CO -0.01 0.44 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.59 2krs s LEU 27 N 0.31 3.48 0.02 4.42 1.43 0.87 -4.95 118.68 124.26 2krs s LEU 27 Ca -0.11 -0.00 0.08 0.00 -1.03 0.00 0.00 54.13 53.07 2krs s LEU 27 Cb -0.15 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 2krs s LEU 27 CO 0.04 0.30 -0.25 -0.60 0.23 0.00 0.00 176.35 176.07 2krs s ARG 28 N -1.44 1.96 1.03 1.70 3.52 -1.26 -1.05 118.95 123.41 2krs s ARG 28 Ca 0.18 -1.02 -0.18 0.00 -0.13 0.00 0.00 55.73 54.58 2krs s ARG 28 Cb -0.11 -2.03 -0.01 0.00 -1.56 0.00 0.00 34.95 31.24 2krs s ARG 28 CO 0.09 0.54 -0.26 0.27 -0.81 0.00 0.00 175.30 175.13 2krs n ASN 29 N 2.03 -2.99 0.00 -2.12 6.94 -1.26 -2.11 115.26 115.75 2krs n ASN 29 Ca -0.17 0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 2krs n ASN 29 Cb 0.52 -0.93 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 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 0.12 -3.62 -4.62 0.53 5.15 0.86 -4.93 115.26 108.75 2krs n ASN 30 Ca 0.02 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.58 2krs n ASN 30 Cb 0.61 -2.75 -0.05 0.00 -0.53 0.00 0.00 39.78 37.05 2krs n ASN 30 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2krs s ASP 31 N -2.05 6.68 0.21 1.20 2.15 -0.89 -4.88 116.67 119.08 2krs s ASP 31 Ca 0.00 0.76 -0.30 0.00 0.43 0.00 0.00 52.55 53.45 2krs s ASP 31 Cb 0.00 -2.39 -0.08 0.00 -0.30 0.00 0.00 42.92 40.15 2krs s ASP 31 CO 0.00 -0.52 1.06 -0.54 -0.17 0.00 0.00 175.17 175.01 2krs s LYS 32 N 2.79 4.66 0.11 4.34 1.02 -1.26 -2.17 119.74 129.22 2krs s LYS 32 Ca 0.31 1.68 0.01 0.00 0.02 0.00 0.00 55.97 57.99 2krs s LYS 32 Cb -0.15 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 2krs s LYS 32 CO 0.10 0.19 -0.02 0.14 -0.92 0.00 0.00 175.35 174.84 2krs s VAL 33 N -0.59 0.46 -0.22 3.17 -7.23 -0.32 -4.98 120.40 110.69 2krs s VAL 33 Ca 0.47 -1.91 -0.07 0.00 -1.81 0.00 0.00 61.98 58.66 2krs s VAL 33 Cb -0.29 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 2krs s VAL 33 CO 0.36 -0.73 0.06 -0.70 -0.31 0.00 0.00 175.10 173.77 2krs s GLU 34 N -3.91 3.74 -0.15 4.82 2.56 -1.26 -0.70 118.70 123.80 2krs s GLU 34 Ca 0.16 -0.45 -0.19 0.00 0.00 0.00 0.00 54.97 54.49 2krs s GLU 34 Cb 0.07 -3.25 -0.04 0.00 2.00 0.00 0.00 34.13 32.91 2krs s GLU 34 CO -0.03 -0.02 0.51 0.42 -0.56 0.00 0.00 175.26 175.58 2krs s ILE 35 N 1.16 5.15 -0.21 -3.70 1.01 -1.26 -2.19 121.20 121.16 2krs s ILE 35 Ca 0.04 0.99 -0.19 0.00 0.00 0.00 0.00 60.65 61.49 2krs s ILE 35 Cb -0.14 -3.84 -0.16 0.00 0.01 0.00 0.00 42.46 38.32 2krs s ILE 35 CO 0.03 0.26 0.08 -0.38 0.00 0.00 0.00 174.94 174.94 2krs n ILE 36 N 4.01 1.52 -3.95 2.92 5.41 -0.89 -4.98 119.36 123.39 2krs n ILE 36 Ca -0.06 -0.04 0.01 0.00 1.00 0.00 0.00 62.75 63.66 2krs n ILE 36 Cb 0.51 -2.06 0.01 0.00 -0.71 0.00 0.00 39.64 37.39 2krs n ILE 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2krs s LYS 37 N -2.38 0.57 -0.18 0.38 -2.85 -1.26 -5.05 119.74 108.98 2krs s LYS 37 Ca -0.29 -0.37 -0.02 0.00 -1.00 0.00 0.00 55.97 54.29 2krs s LYS 37 Cb 0.07 0.16 -0.01 0.00 -2.06 0.00 0.00 37.83 35.98 2krs s LYS 37 CO 0.53 -0.27 -0.08 -2.00 0.10 0.00 0.00 175.35 173.63 2krs s GLU 38 N -2.07 3.40 -0.08 1.78 2.12 -1.26 -1.68 118.70 120.90 2krs s GLU 38 Ca 0.27 -0.65 0.03 0.00 0.36 0.00 0.00 54.97 54.99 2krs s GLU 38 Cb -0.01 -2.83 0.01 0.00 0.26 0.00 0.00 34.13 31.56 2krs s GLU 38 CO 0.00 0.01 -0.17 0.08 -0.54 0.00 0.00 175.26 174.65 2krs s VAL 39 N 0.90 1.54 -1.51 3.70 1.01 0.10 -4.71 120.40 121.43 2krs s VAL 39 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2krs s VAL 39 Cb -0.15 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.87 2krs s VAL 39 CO 0.00 0.44 0.00 -0.67 0.00 0.00 0.00 175.10 174.88 2krs n ASP 40 N 3.71 -4.32 0.00 3.32 -0.08 -1.26 0.63 116.55 118.55 2krs n ASP 40 Ca -0.21 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 2krs n ASP 40 Cb 0.52 -3.81 0.00 0.00 2.34 0.00 0.00 41.12 40.17 2krs n ASP 40 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2krs n GLY 41 N -0.54 1.47 3.87 0.27 0.00 -1.26 -5.03 105.19 103.97 2krs n GLY 41 Ca -0.17 0.00 -0.32 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 -2.94 3.44 -0.17 1.61 0.52 0.20 -4.50 118.94 117.11 2krs s TRP 42 Ca 0.00 0.91 -0.13 0.00 0.02 0.00 0.00 56.10 56.90 2krs s TRP 42 Cb 0.00 -2.29 -0.05 0.00 -1.15 0.00 0.00 33.47 29.99 2krs s TRP 42 CO 0.00 0.28 0.26 0.71 0.02 0.00 0.00 176.95 178.22 2krs s TYR 43 N -1.78 3.46 -0.19 -1.98 1.51 0.71 -0.72 117.35 118.36 2krs s TYR 43 Ca 0.47 0.55 -0.16 0.00 -1.01 0.00 0.00 57.07 56.92 2krs s TYR 43 Cb -0.12 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.39 2krs s TYR 43 CO 0.21 0.26 0.39 -1.21 -1.11 0.00 0.00 175.55 174.08 2krs s GLU 44 N 0.41 4.20 0.22 -0.62 2.02 -0.68 -1.22 118.70 123.04 2krs s GLU 44 Ca 0.15 0.20 0.08 0.00 0.02 0.00 0.00 54.97 55.42 2krs s GLU 44 Cb -0.13 -3.51 -0.05 0.00 0.10 0.00 0.00 34.13 30.55 2krs s GLU 44 CO 0.03 0.03 -0.13 0.96 0.02 0.00 0.00 175.26 176.16 2krs s ILE 45 N 1.10 1.78 -0.19 -1.63 -4.36 -1.04 -2.10 121.20 114.76 2krs s ILE 45 Ca 0.19 -2.21 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 2krs s ILE 45 Cb -0.14 -2.13 0.05 0.00 1.25 0.00 0.00 42.46 41.48 2krs s ILE 45 CO 0.07 -0.53 -0.07 -0.60 0.24 0.00 0.00 174.94 174.05 2krs s ARG 46 N -3.65 1.66 -0.02 0.37 3.52 -0.93 -1.20 118.95 118.70 2krs s ARG 46 Ca 0.24 -0.72 -0.02 0.00 -0.13 0.00 0.00 55.73 55.11 2krs s ARG 46 Cb -0.00 -2.27 0.01 0.00 -1.56 0.00 0.00 34.95 31.13 2krs s ARG 46 CO 0.08 -0.47 0.06 0.12 -0.81 0.00 0.00 175.30 174.28 2krs s PHE 47 N 1.51 -0.06 -1.49 5.12 5.36 0.11 -4.04 117.98 124.49 2krs s PHE 47 Ca -0.01 0.16 -0.05 0.00 -0.96 0.00 0.00 56.93 56.06 2krs s PHE 47 Cb -0.16 0.00 0.02 0.00 -0.34 0.00 0.00 43.02 42.54 2krs s PHE 47 CO -0.08 -0.04 0.51 -1.71 -1.46 0.00 0.00 175.22 172.45 2krs n ASN 48 N 3.15 -5.48 -0.85 6.13 2.85 -1.26 -0.69 115.26 119.11 2krs n ASN 48 Ca -0.14 -0.27 -0.11 0.00 -0.11 0.00 0.00 54.58 53.96 2krs n ASN 48 Cb 0.59 -4.46 -0.04 0.00 1.24 0.00 0.00 39.78 37.10 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 -1.38 1.12 3.10 8.20 0.00 -1.26 -5.01 105.19 109.96 2krs n GLY 49 Ca -0.10 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.03 0.88 -0.37 1.61 1.02 0.13 -5.12 119.74 114.85 2krs s LYS 50 Ca 0.00 -0.60 -0.12 0.00 0.02 0.00 0.00 55.97 55.27 2krs s LYS 50 Cb 0.00 -0.85 0.01 0.00 -0.52 0.00 0.00 37.83 36.47 2krs s LYS 50 CO 0.00 0.22 0.23 0.08 -0.92 0.00 0.00 175.35 174.96 2krs s VAL 51 N -0.63 4.92 0.15 3.17 1.01 -1.26 0.07 120.40 127.83 2krs s VAL 51 Ca 0.02 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2krs s VAL 51 Cb -0.06 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2krs s VAL 51 CO 0.00 -0.18 0.14 0.61 0.00 0.00 0.00 175.10 175.68 2krs n GLY 52 N 5.07 2.73 3.06 4.51 0.00 -0.34 -4.90 105.19 115.31 2krs n GLY 52 Ca -0.12 -2.19 -0.19 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.57 0.93 0.02 1.61 1.51 0.22 -2.49 117.35 118.57 2krs s TYR 53 Ca 0.11 -0.24 -0.21 0.00 -1.01 0.00 0.00 57.07 55.72 2krs s TYR 53 Cb -0.01 -0.58 0.04 0.00 -0.11 0.00 0.00 41.96 41.30 2krs s TYR 53 CO 0.07 -0.01 0.46 0.00 -1.11 0.00 0.00 175.55 174.96 2krs s ALA 54 N -0.49 -1.16 0.50 3.71 0.00 -0.36 -2.29 121.76 121.68 2krs s ALA 54 Ca 0.02 0.54 -0.21 0.00 0.00 0.00 0.00 51.96 52.31 2krs s ALA 54 Cb -0.05 0.24 -0.07 0.00 0.00 0.00 0.00 23.12 23.24 2krs s ALA 54 CO 0.00 -0.41 1.14 0.45 0.00 0.00 0.00 175.76 176.94 2krs s SER 55 N -1.73 5.99 0.48 0.00 0.15 -1.26 -0.21 113.70 117.12 2krs s SER 55 Ca -0.08 2.22 0.32 0.00 0.70 0.00 0.00 55.95 59.12 2krs s SER 55 Cb -0.02 -2.59 1.60 0.00 -1.71 0.00 0.00 66.02 63.30 2krs s SER 55 CO 0.01 -1.03 1.98 0.07 1.20 0.00 0.00 173.24 175.46 2krs h LYS 56 N 1.66 0.00 0.00 5.44 2.10 -1.86 -1.93 116.57 121.98 2krs h LYS 56 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2krs h LYS 56 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2krs h LYS 56 CO 0.59 0.00 0.00 1.03 -2.00 0.00 0.00 179.45 179.07 2krs h SER 57 N 0.00 0.00 0.00 7.07 0.87 -1.96 -2.65 113.55 116.88 2krs h SER 57 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2krs h SER 57 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2krs h SER 57 CO 0.00 0.00 -1.63 -1.22 -0.53 0.00 0.00 176.83 173.45 2krs n TYR 58 N -2.80 0.00 -4.48 2.24 4.01 -0.73 -4.94 117.16 110.46 2krs n TYR 58 Ca -0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 2krs n TYR 58 Cb 0.18 -0.33 -0.12 0.00 -0.31 0.00 0.00 39.34 38.76 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 -3.03 3.76 -0.14 -0.72 1.09 -1.00 -1.62 121.20 119.54 2krs s ILE 59 Ca -0.05 -0.41 0.01 0.00 -1.10 0.00 0.00 60.65 59.10 2krs s ILE 59 Cb 0.10 -2.63 -0.00 0.00 -1.06 0.00 0.00 42.46 38.87 2krs s ILE 59 CO 0.65 0.51 -0.16 -0.89 -0.10 0.00 0.00 174.94 174.95 2krs s THR 60 N 0.23 2.70 0.09 2.92 2.01 -0.76 -4.77 115.64 118.06 2krs s THR 60 Ca -0.04 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 2krs s THR 60 Cb -0.14 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 2krs s THR 60 CO 0.03 0.52 1.00 -0.63 -0.69 0.00 0.00 174.62 174.86 2krs s ILE 61 N 0.65 4.47 -0.11 1.82 1.01 -1.26 -2.50 121.20 125.28 2krs s ILE 61 Ca -0.08 1.96 -0.16 0.00 0.00 0.00 0.00 60.65 62.37 2krs s ILE 61 Cb -0.16 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 2krs s ILE 61 CO 0.02 0.25 0.40 -0.69 0.00 0.00 0.00 174.94 174.93 2krs s VAL 62 N 0.31 5.21 0.25 2.92 1.01 -1.26 -4.83 120.40 124.02 2krs s VAL 62 Ca 0.50 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.26 2krs s VAL 62 Cb -0.24 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2krs s VAL 62 CO 0.30 0.39 0.00 0.59 0.00 0.00 0.00 175.10 176.38 2krs n ASN 63 N 3.31 -8.97 0.00 3.32 5.03 -1.26 -4.73 115.26 111.96 2krs n ASN 63 Ca -0.10 1.41 0.12 0.00 0.87 0.00 0.00 54.58 56.88 2krs n ASN 63 Cb 0.52 -5.10 0.61 0.00 -1.02 0.00 0.00 39.78 34.79 2krs n ASN 63 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2krs n GLU 64 N 1.60 0.40 0.00 3.52 1.02 -1.26 -4.73 120.64 121.19 2krs n GLU 64 Ca 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2krs n GLU 64 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2krs n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2krs n GLY 65 N 0.66 0.71 5.19 0.62 0.00 -1.26 -5.02 105.19 106.09 2krs n GLY 65 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2krs n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2krs n SER 66 N 0.00 0.00 -4.78 1.61 2.88 -1.26 -4.65 113.62 107.42 2krs n SER 66 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 2krs n SER 66 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2krs n SER 66 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2krs s LEU 67 N 0.00 4.09 0.20 2.46 2.01 -1.26 -4.94 118.68 121.24 2krs s LEU 67 Ca 0.00 2.11 -0.31 0.00 0.01 0.00 0.00 54.13 55.94 2krs s LEU 67 Cb 0.00 -4.22 -0.15 0.00 0.01 0.00 0.00 46.19 41.83 2krs s LEU 67 CO 0.00 -0.63 1.12 -0.62 1.01 0.00 0.00 176.35 177.23 2krs n GLU 68 N -0.23 1.21 -0.20 1.70 1.02 -1.26 -4.87 120.64 118.00 2krs n GLU 68 Ca 0.06 0.43 -0.10 0.00 -0.02 0.00 0.00 57.16 57.53 2krs n GLU 68 Cb 0.49 -1.89 0.02 0.00 -0.02 0.00 0.00 31.44 30.04 2krs n GLU 68 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2krs h HIS 69 N 3.02 1.17 -3.56 -0.32 3.86 -1.92 -3.41 115.15 114.00 2krs h HIS 69 Ca -0.42 -0.22 -0.61 0.00 -1.16 0.00 0.00 60.37 57.96 2krs h HIS 69 Cb 1.34 -0.30 -0.13 0.00 1.06 0.00 0.00 27.41 29.39 2krs h HIS 69 CO 0.52 1.05 -0.22 -1.01 0.86 0.00 0.00 177.93 179.14 2krs s HIS 70 N -4.94 3.33 -0.26 2.45 3.76 -1.26 -5.04 115.29 113.32 2krs s HIS 70 Ca -0.12 0.54 -0.03 0.00 -0.15 0.00 0.00 55.06 55.30 2krs s HIS 70 Cb 0.13 -2.54 0.11 0.00 1.11 0.00 0.00 32.58 31.40 2krs s HIS 70 CO 0.86 -0.08 0.22 -1.58 -0.85 0.00 0.00 174.74 173.31 2krs s HIS 71 N 1.57 -0.16 0.40 1.40 2.46 -1.26 -5.14 115.29 114.54 2krs s HIS 71 Ca 0.17 -0.26 -0.18 0.00 0.47 0.00 0.00 55.06 55.26 2krs s HIS 71 Cb -0.15 -0.57 -0.10 0.00 -0.13 0.00 0.00 32.58 31.64 2krs s HIS 71 CO 0.08 -0.79 0.87 -1.01 -2.47 0.00 0.00 174.74 171.43 2krs s HIS 72 N 2.27 3.35 -0.04 3.88 3.76 -1.26 -5.08 115.29 122.18 2krs s HIS 72 Ca 0.08 1.43 -0.01 0.00 -0.15 0.00 0.00 55.06 56.41 2krs s HIS 72 Cb -0.15 -2.72 0.03 0.00 1.11 0.00 0.00 32.58 30.85 2krs s HIS 72 CO -0.27 -0.06 0.06 -3.38 -0.85 0.00 0.00 174.74 170.24 2krs s HIS 73 N -2.16 0.02 -2.76 1.40 -3.43 -1.26 -5.31 115.29 101.79 2krs s HIS 73 Ca 0.59 0.25 0.22 0.00 -0.80 0.00 0.00 55.06 55.32 2krs s HIS 73 Cb -0.10 -0.36 0.17 0.00 -1.43 0.00 0.00 32.58 30.87 2krs s HIS 73 CO 0.17 -0.16 1.20 0.72 -2.00 0.00 0.00 174.74 174.67