#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 0.47 0.62 2.12 1.11 -1.26 -3.57 119.66 119.15 2krs s GLN 2 Ca 0.00 0.03 -0.01 0.00 0.01 0.00 0.00 55.36 55.39 2krs s GLN 2 Cb 0.00 -1.19 0.05 0.00 -1.01 0.00 0.00 33.01 30.86 2krs s GLN 2 CO 0.00 -0.40 0.88 0.20 0.01 0.00 0.00 175.29 175.97 2krs s GLY 3 N 1.99 1.78 -0.08 3.09 0.00 -0.48 -4.48 107.32 109.14 2krs s GLY 3 Ca 0.04 -1.26 0.03 0.00 0.00 0.00 0.00 44.72 43.53 2krs s GLY 3 CO -0.06 -0.90 -0.18 0.14 0.00 0.00 0.00 173.10 172.11 2krs s VAL 4 N -2.96 1.56 -0.15 1.40 1.01 -1.11 -2.09 120.40 118.05 2krs s VAL 4 Ca 0.59 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 2krs s VAL 4 Cb -0.10 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2krs s VAL 4 CO 0.41 0.45 0.53 -0.69 0.00 0.00 0.00 175.10 175.80 2krs s VAL 5 N 0.50 5.13 -0.25 2.92 1.01 -0.24 -2.24 120.40 127.23 2krs s VAL 5 Ca -0.16 1.02 0.02 0.00 0.00 0.00 0.00 61.98 62.86 2krs s VAL 5 Cb -0.17 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.41 2krs s VAL 5 CO 0.06 0.24 -0.10 -0.54 0.00 0.00 0.00 175.10 174.77 2krs s LYS 6 N 1.14 2.08 -0.02 2.72 1.02 0.15 -0.41 119.74 126.42 2krs s LYS 6 Ca 0.27 -1.21 0.05 0.00 0.02 0.00 0.00 55.97 55.10 2krs s LYS 6 Cb -0.16 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 2krs s LYS 6 CO 0.11 -0.56 -0.17 0.08 -0.92 0.00 0.00 175.35 173.89 2krs s VAL 7 N 1.20 1.36 0.19 3.17 1.01 -1.26 -4.63 120.40 121.45 2krs s VAL 7 Ca -0.07 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 2krs s VAL 7 Cb -0.19 -1.15 0.12 0.00 0.00 0.00 0.00 36.38 35.16 2krs s VAL 7 CO -0.06 0.39 1.77 -1.13 0.00 0.00 0.00 175.10 176.07 2krs h ASN 8 N 5.92 0.94 0.00 3.32 -0.73 -1.99 -3.39 115.58 119.64 2krs h ASN 8 Ca -0.35 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 57.67 2krs h ASN 8 Cb 1.16 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.51 2krs h ASN 8 CO 0.48 0.83 0.00 -1.20 -0.37 0.00 0.00 177.43 177.17 2krs n SER 9 N -4.41 0.00 -3.73 1.15 7.64 -1.26 -5.05 113.62 107.97 2krs n SER 9 Ca 0.06 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.80 2krs n SER 9 Cb 0.15 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 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 -2.00 -1.06 -0.06 -0.43 0.00 -1.26 -4.72 121.76 112.23 2krs s ALA 10 Ca 0.00 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.17 2krs s ALA 10 Cb 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.46 2krs s ALA 10 CO 0.00 -0.21 -0.20 -1.17 0.00 0.00 0.00 175.76 174.18 2krs s LEU 11 N 0.13 1.97 0.21 0.00 2.96 -1.03 -5.01 118.68 117.91 2krs s LEU 11 Ca -0.01 -0.44 -0.28 0.00 -0.22 0.00 0.00 54.13 53.18 2krs s LEU 11 Cb -0.03 -1.18 -0.09 0.00 0.50 0.00 0.00 46.19 45.40 2krs s LEU 11 CO 0.01 0.16 0.87 0.20 -1.32 0.00 0.00 176.35 176.28 2krs s ASN 12 N 0.14 7.54 -0.02 3.68 0.01 -1.26 -0.31 114.94 124.72 2krs s ASN 12 Ca -0.09 1.82 -0.18 0.00 -0.71 0.00 0.00 52.86 53.71 2krs s ASN 12 Cb -0.14 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 38.90 2krs s ASN 12 CO 0.05 0.18 0.49 -0.32 -1.51 0.00 0.00 177.10 175.99 2krs s MET 13 N -1.18 4.17 -0.08 -0.60 1.75 -0.39 -4.88 119.30 118.09 2krs s MET 13 Ca 0.39 0.54 -0.02 0.00 -1.25 0.00 0.00 55.69 55.35 2krs s MET 13 Cb -0.25 -3.31 -0.03 0.00 2.84 0.00 0.00 34.83 34.08 2krs s MET 13 CO 0.30 0.47 0.03 1.03 -0.65 0.00 0.00 175.02 176.20 2krs s ARG 14 N -0.45 3.05 0.00 4.11 1.81 -0.94 -2.73 118.95 123.81 2krs s ARG 14 Ca 0.27 -0.38 0.28 0.00 -1.72 0.00 0.00 55.73 54.18 2krs s ARG 14 Cb -0.17 -2.86 1.31 0.00 -0.45 0.00 0.00 34.95 32.78 2krs s ARG 14 CO 0.14 0.71 1.93 0.43 -0.68 0.00 0.00 175.30 177.83 2krs n SER 15 N 2.01 0.00 -0.60 0.23 7.64 -1.26 0.68 113.62 122.31 2krs n SER 15 Ca -0.18 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2krs n SER 15 Cb 0.54 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2krs n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2krs n GLY 16 N 1.18 3.05 0.24 0.23 0.00 -1.26 -4.64 105.19 104.00 2krs n GLY 16 Ca 0.11 -1.11 0.15 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 1.27 -3.66 1.61 -0.04 -1.26 -4.40 135.00 128.52 2krs n PRO 17 Ca 0.00 -0.49 -0.36 0.00 -0.04 0.00 0.00 63.50 62.61 2krs n PRO 17 Cb 0.00 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 31.89 2krs n PRO 17 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2krs s GLY 18 N -2.07 2.05 0.28 0.55 0.00 -1.26 -4.96 107.32 101.91 2krs s GLY 18 Ca 0.40 -0.71 0.24 0.00 0.00 0.00 0.00 44.72 44.66 2krs s GLY 18 CO 0.37 0.30 1.73 -1.14 0.00 0.00 0.00 173.10 174.36 2krs n SER 19 N 3.82 0.71 -1.02 1.64 3.41 -1.26 -2.12 113.62 118.80 2krs n SER 19 Ca -0.15 0.68 0.06 0.00 -0.26 0.00 0.00 58.87 59.20 2krs n SER 19 Cb 0.52 -0.83 0.21 0.00 -0.26 0.00 0.00 64.21 63.85 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 -2.29 2.94 -0.36 4.04 3.02 -1.26 -3.93 115.26 117.42 2krs n ASN 20 Ca 0.02 -2.22 0.14 0.00 -0.03 0.00 0.00 54.58 52.48 2krs n ASN 20 Cb 0.23 -0.42 0.60 0.00 -0.61 0.00 0.00 39.78 39.58 2krs n ASN 20 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2krs n TYR 21 N 0.61 0.03 -0.04 3.10 4.02 -0.90 -5.04 117.16 118.94 2krs n TYR 21 Ca 0.15 -0.01 0.01 0.00 -0.01 0.00 0.00 57.90 58.04 2krs n TYR 21 Cb 0.55 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.87 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 1.11 -1.87 3.51 2.72 0.00 -1.25 -4.71 105.19 104.70 2krs n GLY 22 Ca 0.20 -1.49 -0.35 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 -1.90 4.22 -1.75 1.61 0.11 -1.26 -4.30 120.40 117.12 2krs s VAL 23 Ca 0.00 -0.23 0.16 0.00 -2.93 0.00 0.00 61.98 58.98 2krs s VAL 23 Cb 0.00 -2.90 0.06 0.00 -1.53 0.00 0.00 36.38 32.01 2krs s VAL 23 CO 0.00 0.44 0.93 2.30 -3.33 0.00 0.00 175.10 175.44 2krs n ILE 24 N 3.97 0.00 -3.95 7.04 -5.35 -1.10 -5.00 119.36 114.97 2krs n ILE 24 Ca -0.17 -0.42 0.02 0.00 -0.27 0.00 0.00 62.75 61.91 2krs n ILE 24 Cb 0.52 1.26 0.01 0.00 -1.74 0.00 0.00 39.64 39.69 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 1.04 0.36 3.18 3.28 0.00 -1.26 -5.03 105.19 106.76 2krs n GLY 25 Ca 0.08 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.06 1.03 0.08 2.61 -4.23 -1.26 -1.26 115.64 110.55 2krs s THR 26 Ca 0.21 -1.54 0.08 0.00 -1.18 0.00 0.00 61.69 59.27 2krs s THR 26 Cb -0.01 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.53 2krs s THR 26 CO -0.00 -0.44 -0.22 -0.76 -0.54 0.00 0.00 174.62 172.65 2krs s LEU 27 N -2.23 2.24 0.15 4.79 1.43 0.58 -4.86 118.68 120.79 2krs s LEU 27 Ca 0.03 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.59 2krs s LEU 27 Cb -0.05 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 2krs s LEU 27 CO 0.01 0.13 -0.20 -0.13 0.23 0.00 0.00 176.35 176.40 2krs s ARG 28 N -1.61 1.27 1.06 1.70 0.52 -1.26 -2.47 118.95 118.17 2krs s ARG 28 Ca 0.09 -1.37 -0.14 0.00 -0.52 0.00 0.00 55.73 53.79 2krs s ARG 28 Cb -0.10 -1.42 0.16 0.00 0.52 0.00 0.00 34.95 34.11 2krs s ARG 28 CO 0.03 0.30 0.63 0.27 0.02 0.00 0.00 175.30 176.56 2krs n ASN 29 N 0.47 -1.58 -0.50 0.23 6.94 -1.26 -2.75 115.26 116.80 2krs n ASN 29 Ca -0.15 0.07 -0.06 0.00 -0.02 0.00 0.00 54.58 54.42 2krs n ASN 29 Cb 0.56 -1.21 -0.03 0.00 -2.36 0.00 0.00 39.78 36.74 2krs n ASN 29 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2krs n ASN 30 N -3.16 -5.64 -4.58 0.53 3.02 0.45 -4.92 115.26 100.96 2krs n ASN 30 Ca 0.05 0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 2krs n ASN 30 Cb 0.56 -3.82 -0.05 0.00 -0.61 0.00 0.00 39.78 35.86 2krs n ASN 30 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2krs s ASP 31 N -2.18 6.52 -0.13 6.41 1.01 -1.11 -4.86 116.67 122.33 2krs s ASP 31 Ca 0.00 0.27 -0.18 0.00 0.71 0.00 0.00 52.55 53.35 2krs s ASP 31 Cb 0.00 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 2krs s ASP 31 CO 0.00 -0.75 0.46 -1.59 0.21 0.00 0.00 175.17 173.51 2krs s LYS 32 N 3.09 4.32 0.10 8.23 -2.85 -1.26 -1.08 119.74 130.30 2krs s LYS 32 Ca 0.30 0.41 0.01 0.00 -1.00 0.00 0.00 55.97 55.70 2krs s LYS 32 Cb -0.13 -3.44 -0.04 0.00 -2.06 0.00 0.00 37.83 32.15 2krs s LYS 32 CO 0.18 0.14 -0.04 0.14 0.10 0.00 0.00 175.35 175.87 2krs s VAL 33 N 0.69 0.52 -0.08 1.79 -7.23 -0.89 -5.00 120.40 110.19 2krs s VAL 33 Ca 0.25 -1.91 -0.20 0.00 -1.81 0.00 0.00 61.98 58.31 2krs s VAL 33 Cb -0.15 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 2krs s VAL 33 CO 0.10 -0.81 0.56 -0.70 -0.31 0.00 0.00 175.10 173.94 2krs s GLU 34 N -3.89 4.35 -0.45 4.82 2.12 -1.26 -1.39 118.70 123.01 2krs s GLU 34 Ca 0.14 0.62 -0.17 0.00 0.36 0.00 0.00 54.97 55.91 2krs s GLU 34 Cb 0.06 -3.42 0.04 0.00 0.26 0.00 0.00 34.13 31.08 2krs s GLU 34 CO -0.04 0.18 0.44 0.42 -0.54 0.00 0.00 175.26 175.72 2krs s ILE 35 N 0.49 5.11 0.11 -3.70 1.01 -1.23 -2.67 121.20 120.32 2krs s ILE 35 Ca 0.30 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 2krs s ILE 35 Cb -0.16 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 2krs s ILE 35 CO 0.14 -0.53 1.54 0.40 0.00 0.00 0.00 174.94 176.48 2krs h ILE 36 N 5.75 1.27 -2.28 2.92 2.04 -1.77 -3.47 117.51 121.97 2krs h ILE 36 Ca -0.27 -1.03 0.27 0.00 1.00 0.00 0.00 64.86 64.82 2krs h ILE 36 Cb 1.11 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 2krs h ILE 36 CO 0.84 0.34 0.77 -1.59 0.00 0.00 0.00 178.15 178.51 2krs s LYS 37 N -4.92 0.78 -0.15 2.37 -2.85 -1.26 -5.05 119.74 108.66 2krs s LYS 37 Ca -0.13 -0.50 0.02 0.00 -1.00 0.00 0.00 55.97 54.36 2krs s LYS 37 Cb 0.09 0.22 0.01 0.00 -2.06 0.00 0.00 37.83 36.09 2krs s LYS 37 CO 0.78 -0.37 -0.21 -2.00 0.10 0.00 0.00 175.35 173.65 2krs s GLU 38 N -2.10 3.02 -0.07 1.78 2.12 -1.26 -1.53 118.70 120.66 2krs s GLU 38 Ca 0.26 -0.85 0.03 0.00 0.36 0.00 0.00 54.97 54.77 2krs s GLU 38 Cb -0.01 -2.47 0.01 0.00 0.26 0.00 0.00 34.13 31.92 2krs s GLU 38 CO 0.02 -0.06 -0.16 0.08 -0.54 0.00 0.00 175.26 174.60 2krs s VAL 39 N 0.92 1.42 -1.33 3.70 1.01 0.12 -4.74 120.40 121.50 2krs s VAL 39 Ca -0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 2krs s VAL 39 Cb -0.15 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 34.99 2krs s VAL 39 CO -0.04 0.42 0.14 0.47 0.00 0.00 0.00 175.10 176.08 2krs n ASP 40 N 3.54 -4.67 0.00 3.32 8.00 -1.26 0.23 116.55 125.70 2krs n ASP 40 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2krs n ASP 40 Cb 0.52 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 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 -1.00 2.86 3.84 0.44 0.00 -1.26 -5.00 105.19 105.07 2krs n GLY 41 Ca -0.15 0.00 -0.34 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 -1.93 3.46 -0.17 1.61 0.52 0.13 -4.58 118.94 117.98 2krs s TRP 42 Ca 0.00 1.25 -0.08 0.00 0.02 0.00 0.00 56.10 57.28 2krs s TRP 42 Cb 0.00 -2.54 -0.05 0.00 -1.15 0.00 0.00 33.47 29.73 2krs s TRP 42 CO 0.00 0.18 0.12 0.71 0.02 0.00 0.00 176.95 177.97 2krs s TYR 43 N -1.83 3.42 -0.18 -1.98 2.02 -1.18 0.11 117.35 117.74 2krs s TYR 43 Ca 0.50 0.33 -0.16 0.00 -0.37 0.00 0.00 57.07 57.38 2krs s TYR 43 Cb -0.12 -2.07 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 2krs s TYR 43 CO 0.19 0.39 0.38 -2.00 -1.57 0.00 0.00 175.55 172.94 2krs s GLU 44 N -0.04 4.22 0.15 -0.62 2.12 -0.58 -2.52 118.70 121.41 2krs s GLU 44 Ca 0.09 0.21 0.06 0.00 0.36 0.00 0.00 54.97 55.69 2krs s GLU 44 Cb -0.11 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 2krs s GLU 44 CO 0.00 0.05 -0.13 0.96 -0.54 0.00 0.00 175.26 175.60 2krs s ILE 45 N 1.02 1.39 -0.17 -3.70 -4.36 -0.91 -2.03 121.20 112.44 2krs s ILE 45 Ca 0.19 -1.91 -0.01 0.00 -0.26 0.00 0.00 60.65 58.66 2krs s ILE 45 Cb -0.14 -1.73 -0.00 0.00 1.25 0.00 0.00 42.46 41.84 2krs s ILE 45 CO 0.07 -0.54 -0.13 -0.60 0.24 0.00 0.00 174.94 173.98 2krs s ARG 46 N -3.15 3.24 -0.08 0.37 3.52 -1.09 -2.49 118.95 119.27 2krs s ARG 46 Ca 0.14 -0.73 -0.05 0.00 -0.13 0.00 0.00 55.73 54.97 2krs s ARG 46 Cb -0.02 -2.69 0.04 0.00 -1.56 0.00 0.00 34.95 30.71 2krs s ARG 46 CO 0.03 -0.02 0.20 0.12 -0.81 0.00 0.00 175.30 174.81 2krs s PHE 47 N 0.94 -0.24 -1.48 5.12 5.36 0.36 -4.23 117.98 123.81 2krs s PHE 47 Ca -0.03 0.60 -0.03 0.00 -0.96 0.00 0.00 56.93 56.51 2krs s PHE 47 Cb -0.15 0.01 0.01 0.00 -0.34 0.00 0.00 43.02 42.56 2krs s PHE 47 CO -0.01 -0.17 0.32 -1.71 -1.46 0.00 0.00 175.22 172.18 2krs n ASN 48 N 3.86 -5.27 -0.12 6.13 5.15 -1.26 0.05 115.26 123.79 2krs n ASN 48 Ca -0.22 -0.14 -0.02 0.00 -0.60 0.00 0.00 54.58 53.60 2krs n ASN 48 Cb 0.54 -4.34 -0.01 0.00 -0.53 0.00 0.00 39.78 35.45 2krs n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2krs n GLY 49 N -1.20 0.44 3.60 8.20 0.00 -1.26 -5.00 105.19 109.96 2krs n GLY 49 Ca -0.14 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.17 2.37 -0.10 1.61 1.02 0.11 -5.12 119.74 118.45 2krs s LYS 50 Ca 0.00 -0.87 0.03 0.00 0.02 0.00 0.00 55.97 55.15 2krs s LYS 50 Cb 0.00 -2.42 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 2krs s LYS 50 CO 0.00 0.55 -0.20 0.08 -0.92 0.00 0.00 175.35 174.87 2krs s VAL 51 N -1.12 2.49 0.00 3.17 1.01 -1.26 -0.49 120.40 124.20 2krs s VAL 51 Ca 0.20 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2krs s VAL 51 Cb -0.11 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.29 2krs s VAL 51 CO 0.11 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.38 2krs n GLY 52 N 3.29 2.68 3.09 4.51 0.00 -1.04 -4.87 105.19 112.85 2krs n GLY 52 Ca -0.18 -1.06 -0.11 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 -6.18 0.65 0.02 1.61 1.51 0.21 -2.14 117.35 113.04 2krs s TYR 53 Ca 0.00 -0.72 -0.10 0.00 -1.01 0.00 0.00 57.07 55.24 2krs s TYR 53 Cb 0.00 -0.40 0.01 0.00 -0.11 0.00 0.00 41.96 41.46 2krs s TYR 53 CO 0.00 -0.16 0.21 0.00 -1.11 0.00 0.00 175.55 174.49 2krs s ALA 54 N -2.47 -0.46 0.43 3.71 0.00 -1.05 -2.21 121.76 119.72 2krs s ALA 54 Ca -0.02 -0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.57 2krs s ALA 54 Cb -0.03 0.21 -0.08 0.00 0.00 0.00 0.00 23.12 23.22 2krs s ALA 54 CO -0.03 -0.31 1.34 -1.54 0.00 0.00 0.00 175.76 175.22 2krs s SER 55 N -1.79 6.13 0.16 0.00 1.04 -1.26 -3.09 113.70 114.89 2krs s SER 55 Ca -0.09 2.74 0.17 0.00 0.48 0.00 0.00 55.95 59.25 2krs s SER 55 Cb -0.03 -2.64 0.77 0.00 0.10 0.00 0.00 66.02 64.22 2krs s SER 55 CO -0.01 -0.99 1.52 2.29 0.98 0.00 0.00 173.24 177.04 2krs n LYS 56 N -0.03 0.10 0.18 4.02 2.85 -1.26 -2.34 118.16 121.67 2krs n LYS 56 Ca 0.04 0.44 0.13 0.00 -1.05 0.00 0.00 58.31 57.87 2krs n LYS 56 Cb 0.43 -1.74 0.62 0.00 -0.65 0.00 0.00 35.03 33.69 2krs n LYS 56 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 2krs h SER 57 N 0.00 0.00 -0.05 -5.58 0.02 -1.97 -2.27 113.55 103.70 2krs h SER 57 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2krs h SER 57 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2krs h SER 57 CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 2krs n TYR 58 N -2.41 0.06 -5.11 3.45 4.01 -0.99 -4.98 117.16 111.19 2krs n TYR 58 Ca 0.00 -0.28 -0.31 0.00 -0.16 0.00 0.00 57.90 57.15 2krs n TYR 58 Cb 0.14 -0.03 -0.17 0.00 -0.31 0.00 0.00 39.34 38.98 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 -0.66 1.90 -0.07 -0.72 1.09 -0.86 -0.67 121.20 121.22 2krs s ILE 59 Ca 0.04 -0.93 0.04 0.00 -1.10 0.00 0.00 60.65 58.71 2krs s ILE 59 Cb 0.03 -1.65 0.00 0.00 -1.06 0.00 0.00 42.46 39.77 2krs s ILE 59 CO 0.04 0.53 -0.19 -0.89 -0.10 0.00 0.00 174.94 174.32 2krs s THR 60 N 0.38 1.65 0.06 2.92 2.01 -0.95 -4.86 115.64 116.84 2krs s THR 60 Ca -0.18 -0.81 -0.31 0.00 0.31 0.00 0.00 61.69 60.71 2krs s THR 60 Cb -0.18 -1.43 -0.06 0.00 0.01 0.00 0.00 72.50 70.85 2krs s THR 60 CO 0.08 0.47 1.26 -0.63 -0.69 0.00 0.00 174.62 175.11 2krs s ILE 61 N 0.23 3.85 0.15 1.82 1.01 -1.26 -2.77 121.20 124.23 2krs s ILE 61 Ca -0.10 1.32 -0.30 0.00 0.00 0.00 0.00 60.65 61.56 2krs s ILE 61 Cb -0.15 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.41 2krs s ILE 61 CO 0.05 0.09 1.15 -0.69 0.00 0.00 0.00 174.94 175.53 2krs s VAL 62 N 1.27 3.85 -1.39 2.92 1.01 -1.26 -3.30 120.40 123.50 2krs s VAL 62 Ca 0.60 1.50 -0.09 0.00 0.00 0.00 0.00 61.98 64.00 2krs s VAL 62 Cb -0.31 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.14 2krs s VAL 62 CO 0.29 0.22 1.06 0.59 0.00 0.00 0.00 175.10 177.26 2krs n ASN 63 N 2.82 -4.96 -0.24 3.32 3.02 -1.26 -4.87 115.26 113.09 2krs n ASN 63 Ca 0.05 -0.64 0.07 0.00 -0.03 0.00 0.00 54.58 54.02 2krs n ASN 63 Cb 0.46 -4.62 0.32 0.00 -0.61 0.00 0.00 39.78 35.32 2krs n ASN 63 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2krs h GLU 64 N -2.36 0.81 0.00 3.52 4.22 -1.97 -3.39 114.58 115.40 2krs h GLU 64 Ca -0.58 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.81 2krs h GLU 64 Cb 1.37 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2krs h GLU 64 CO 0.59 0.54 0.00 0.41 -2.18 0.00 0.00 179.01 178.36 2krs n GLY 65 N -1.43 0.27 2.72 1.92 0.00 -1.26 -4.99 105.19 102.42 2krs n GLY 65 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 -3.57 -0.26 1.61 7.64 -1.26 -4.87 113.62 112.90 2krs n SER 66 Ca 0.00 1.29 -0.06 0.00 1.01 0.00 0.00 58.87 61.11 2krs n SER 66 Cb 0.00 -4.70 0.05 0.00 -1.01 0.00 0.00 64.21 58.55 2krs n SER 66 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2krs h LEU 67 N 3.91 0.97 0.00 -3.43 -0.00 -1.96 -3.47 115.31 111.33 2krs h LEU 67 Ca -0.33 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2krs h LEU 67 Cb 0.79 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2krs h LEU 67 CO 0.03 0.85 0.00 1.21 -0.00 0.00 0.00 178.44 180.53 2krs n GLU 68 N -4.39 0.00 -3.31 1.13 4.07 -1.26 -5.10 120.64 111.78 2krs n GLU 68 Ca 0.06 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 57.00 2krs n GLU 68 Cb 0.15 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.55 2krs n GLU 68 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2krs n HIS 69 N 0.00 -1.16 -0.14 4.31 -0.00 -1.26 -4.84 115.22 112.13 2krs n HIS 69 Ca 0.00 0.49 -0.05 0.00 0.46 0.00 0.00 57.72 58.62 2krs n HIS 69 Cb 0.00 -1.36 0.15 0.00 -0.12 0.00 0.00 29.99 28.65 2krs n HIS 69 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2krs h HIS 70 N 2.97 0.91 -4.27 1.57 3.86 -2.01 -3.49 115.15 114.69 2krs h HIS 70 Ca -0.23 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2krs h HIS 70 Cb 1.16 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.37 2krs h HIS 70 CO 0.00 0.80 -0.86 1.58 0.86 0.00 0.00 177.93 180.32 2krs n HIS 71 N -4.23 -4.47 -3.64 2.45 -0.00 -1.26 -5.08 115.22 98.99 2krs n HIS 71 Ca 0.03 2.68 -0.11 0.00 0.46 0.00 0.00 57.72 60.79 2krs n HIS 71 Cb 0.28 -3.32 -0.05 0.00 -0.12 0.00 0.00 29.99 26.78 2krs n HIS 71 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2krs s HIS 72 N -0.54 -0.20 -0.33 1.57 -3.43 -1.26 -5.14 115.29 105.96 2krs s HIS 72 Ca 0.00 -0.10 -0.03 0.00 -0.80 0.00 0.00 55.06 54.13 2krs s HIS 72 Cb 0.00 0.25 0.19 0.00 -1.43 0.00 0.00 32.58 31.58 2krs s HIS 72 CO 0.00 -0.69 0.86 -3.38 -2.00 0.00 0.00 174.74 169.53 2krs s HIS 73 N -3.71 -1.01 0.00 0.38 -3.43 -1.26 -5.33 115.29 100.93 2krs s HIS 73 Ca 0.02 0.34 0.00 0.00 -0.80 0.00 0.00 55.06 54.63 2krs s HIS 73 Cb 0.02 0.18 0.00 0.00 -1.43 0.00 0.00 32.58 31.35 2krs s HIS 73 CO -0.11 -0.64 0.00 -2.39 -2.00 0.00 0.00 174.74 169.59