#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 3.15 0.12 0.03 -1.52 -1.26 -4.05 119.66 116.13 2krs s GLN 2 Ca 0.00 -0.75 -0.12 0.00 -1.95 0.00 0.00 55.36 52.53 2krs s GLN 2 Cb 0.00 -2.72 -0.06 0.00 -0.22 0.00 0.00 33.01 30.00 2krs s GLN 2 CO 0.00 -0.18 0.49 0.20 -0.25 0.00 0.00 175.29 175.55 2krs s GLY 3 N 1.29 2.41 -0.07 3.09 0.00 -1.02 -2.43 107.32 110.60 2krs s GLY 3 Ca 0.04 -0.23 0.04 0.00 0.00 0.00 0.00 44.72 44.57 2krs s GLY 3 CO -0.08 0.02 -0.20 0.14 0.00 0.00 0.00 173.10 172.99 2krs s VAL 4 N -1.44 1.68 -0.17 1.40 1.01 -1.07 -2.42 120.40 119.40 2krs s VAL 4 Ca 0.36 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 2krs s VAL 4 Cb -0.15 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2krs s VAL 4 CO 0.19 0.47 0.43 -0.69 0.00 0.00 0.00 175.10 175.50 2krs s VAL 5 N 0.30 5.19 -0.26 2.92 1.01 -0.86 -2.56 120.40 126.14 2krs s VAL 5 Ca -0.13 0.81 0.01 0.00 0.00 0.00 0.00 61.98 62.67 2krs s VAL 5 Cb -0.15 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 32.53 2krs s VAL 5 CO 0.05 0.28 -0.01 -0.54 0.00 0.00 0.00 175.10 174.89 2krs s LYS 6 N 1.01 1.40 0.07 2.72 1.02 -0.22 -1.33 119.74 124.42 2krs s LYS 6 Ca 0.22 -1.09 0.00 0.00 0.02 0.00 0.00 55.97 55.13 2krs s LYS 6 Cb -0.15 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 2krs s LYS 6 CO 0.08 -0.71 -0.05 0.54 -0.92 0.00 0.00 175.35 174.30 2krs s VAL 7 N 1.39 0.44 0.21 3.17 0.11 -1.26 -4.64 120.40 119.82 2krs s VAL 7 Ca -0.01 -1.82 -0.09 0.00 -2.93 0.00 0.00 61.98 57.12 2krs s VAL 7 Cb -0.19 -1.54 0.16 0.00 -1.53 0.00 0.00 36.38 33.29 2krs s VAL 7 CO -0.09 -0.91 1.84 0.78 -3.33 0.00 0.00 175.10 173.38 2krs h ASN 8 N 3.14 0.95 0.00 3.54 2.35 -1.99 -3.43 115.58 120.14 2krs h ASN 8 Ca -0.35 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2krs h ASN 8 Cb 1.16 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.28 2krs h ASN 8 CO 0.64 0.76 0.00 -0.24 -1.65 0.00 0.00 177.43 176.94 2krs n SER 9 N -4.46 -0.16 -3.62 5.81 2.88 -1.26 -5.06 113.62 107.76 2krs n SER 9 Ca 0.07 0.10 -0.15 0.00 -1.33 0.00 0.00 58.87 57.56 2krs n SER 9 Cb 0.08 0.26 -0.07 0.00 -0.75 0.00 0.00 64.21 63.72 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 -1.57 -0.09 -1.46 0.00 -1.26 -4.34 121.76 111.04 2krs s ALA 10 Ca 0.00 1.51 0.04 0.00 0.00 0.00 0.00 51.96 53.50 2krs s ALA 10 Cb 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 2krs s ALA 10 CO 0.00 -0.32 -0.21 -1.17 0.00 0.00 0.00 175.76 174.07 2krs s LEU 11 N -0.31 2.31 0.25 0.00 2.96 -0.37 -4.95 118.68 118.57 2krs s LEU 11 Ca -0.05 -0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 53.12 2krs s LEU 11 Cb -0.03 -1.46 -0.09 0.00 0.50 0.00 0.00 46.19 45.11 2krs s LEU 11 CO 0.04 0.21 1.05 0.20 -1.32 0.00 0.00 176.35 176.53 2krs s ASN 12 N 0.04 7.39 -0.13 3.68 0.01 -1.26 0.52 114.94 125.19 2krs s ASN 12 Ca -0.08 2.14 -0.07 0.00 -0.71 0.00 0.00 52.86 54.14 2krs s ASN 12 Cb -0.15 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.85 2krs s ASN 12 CO 0.05 -0.06 0.14 -0.32 -1.51 0.00 0.00 177.10 175.40 2krs s MET 13 N -1.17 3.49 0.23 -0.60 1.75 0.41 -4.81 119.30 118.61 2krs s MET 13 Ca 0.44 -0.15 0.09 0.00 -1.25 0.00 0.00 55.69 54.83 2krs s MET 13 Cb -0.30 -3.20 -0.04 0.00 2.84 0.00 0.00 34.83 34.13 2krs s MET 13 CO 0.37 0.74 -0.03 1.03 -0.65 0.00 0.00 175.02 176.48 2krs s ARG 14 N -0.90 2.24 0.07 4.11 0.52 -0.37 -2.09 118.95 122.52 2krs s ARG 14 Ca 0.14 -1.35 0.28 0.00 -0.52 0.00 0.00 55.73 54.28 2krs s ARG 14 Cb -0.12 -2.17 1.10 0.00 0.52 0.00 0.00 34.95 34.28 2krs s ARG 14 CO 0.03 0.39 1.88 0.43 0.02 0.00 0.00 175.30 178.05 2krs n SER 15 N -0.57 0.26 -1.62 0.23 7.64 -1.26 0.16 113.62 118.46 2krs n SER 15 Ca -0.08 0.52 -0.02 0.00 1.01 0.00 0.00 58.87 60.31 2krs n SER 15 Cb 0.58 -0.59 0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 1.44 1.39 3.22 0.23 0.00 -1.26 -4.32 105.19 105.89 2krs n GLY 16 Ca 0.07 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.19 3.18 0.00 1.61 -0.04 -1.26 -4.65 135.00 133.64 2krs n PRO 17 Ca -0.02 -3.20 0.00 0.00 -0.04 0.00 0.00 63.50 60.24 2krs n PRO 17 Cb 0.18 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 30.35 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 4.48 1.53 0.00 0.55 0.00 -1.26 -5.00 105.19 105.49 2krs n GLY 18 Ca 0.47 0.26 0.07 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.16 1.61 3.41 -1.26 -1.97 113.62 115.25 2krs n SER 19 Ca 0.00 0.40 0.15 0.00 -0.26 0.00 0.00 58.87 59.16 2krs n SER 19 Cb 0.00 -0.45 0.78 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.45 0.50 -0.38 4.04 5.03 -1.26 -3.10 115.26 118.63 2krs n ASN 20 Ca 0.04 -1.07 0.13 0.00 0.87 0.00 0.00 54.58 54.56 2krs n ASN 20 Cb 0.16 -0.02 0.41 0.00 -1.02 0.00 0.00 39.78 39.31 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 -0.65 0.00 -0.85 3.10 4.01 -0.83 -5.06 117.16 116.88 2krs n TYR 21 Ca 0.21 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 58.03 2krs n TYR 21 Cb 0.21 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.28 -2.09 3.47 2.72 0.00 -1.18 -4.61 105.19 104.78 2krs n GLY 22 Ca 0.15 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.40 3.95 -1.81 1.61 0.11 -1.26 -4.24 120.40 117.35 2krs s VAL 23 Ca 0.00 -0.32 0.18 0.00 -2.93 0.00 0.00 61.98 58.90 2krs s VAL 23 Cb 0.00 -2.76 0.04 0.00 -1.53 0.00 0.00 36.38 32.13 2krs s VAL 23 CO 0.00 0.46 0.96 2.30 -3.33 0.00 0.00 175.10 175.49 2krs n ILE 24 N 3.92 0.00 -4.04 7.04 -5.35 -0.89 -5.01 119.36 115.03 2krs n ILE 24 Ca -0.17 -0.37 0.04 0.00 -0.27 0.00 0.00 62.75 61.98 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 1.16 0.12 3.17 3.28 0.00 -1.25 -5.03 105.19 106.65 2krs n GLY 25 Ca 0.08 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 0.91 0.07 2.61 -4.23 -1.26 -0.44 115.64 111.29 2krs s THR 26 Ca 0.28 -1.68 0.09 0.00 -1.18 0.00 0.00 61.69 59.20 2krs s THR 26 Cb -0.00 -1.40 -0.03 0.00 1.34 0.00 0.00 72.50 72.41 2krs s THR 26 CO -0.02 -0.60 -0.23 -0.76 -0.54 0.00 0.00 174.62 172.46 2krs s LEU 27 N -2.53 2.23 0.14 4.79 1.43 0.18 -4.85 118.68 120.08 2krs s LEU 27 Ca 0.06 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 52.59 2krs s LEU 27 Cb -0.02 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 2krs s LEU 27 CO -0.01 0.16 0.10 -0.13 0.23 0.00 0.00 176.35 176.70 2krs s ARG 28 N -1.54 2.82 0.84 1.70 0.52 -1.26 -1.24 118.95 120.78 2krs s ARG 28 Ca 0.09 -0.85 -0.12 0.00 -0.52 0.00 0.00 55.73 54.33 2krs s ARG 28 Cb -0.10 -2.62 0.10 0.00 0.52 0.00 0.00 34.95 32.85 2krs s ARG 28 CO 0.03 0.50 1.19 0.54 0.02 0.00 0.00 175.30 177.59 2krs s ASN 29 N -2.87 3.36 0.00 0.23 4.22 -1.26 -2.07 114.94 116.54 2krs s ASN 29 Ca 0.30 2.34 0.00 0.00 -2.14 0.00 0.00 52.86 53.36 2krs s ASN 29 Cb -0.11 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 39.84 2krs s ASN 29 CO 0.22 -2.82 0.00 -3.20 -2.04 0.00 0.00 177.10 169.26 2krs n ASN 30 N -3.57 -2.28 -4.66 3.54 2.85 -0.44 -4.93 115.26 105.76 2krs n ASN 30 Ca 0.13 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.17 2krs n ASN 30 Cb 0.51 -2.33 -0.02 0.00 1.24 0.00 0.00 39.78 39.18 2krs n ASN 30 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2krs s ASP 31 N -2.13 7.12 -0.13 1.20 -1.08 -0.88 -4.84 116.67 115.94 2krs s ASP 31 Ca 0.00 1.40 -0.07 0.00 -0.52 0.00 0.00 52.55 53.37 2krs s ASP 31 Cb 0.00 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 2krs s ASP 31 CO 0.00 -0.64 0.12 -0.54 0.52 0.00 0.00 175.17 174.63 2krs s LYS 32 N 3.04 3.50 0.12 4.34 1.02 -1.26 -2.02 119.74 128.48 2krs s LYS 32 Ca 0.45 -0.19 -0.00 0.00 0.02 0.00 0.00 55.97 56.25 2krs s LYS 32 Cb -0.16 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2krs s LYS 32 CO 0.08 0.68 0.01 0.14 -0.92 0.00 0.00 175.35 175.34 2krs s VAL 33 N -0.76 0.32 0.04 3.17 -7.23 -1.02 -5.01 120.40 109.92 2krs s VAL 33 Ca 0.13 -1.91 -0.24 0.00 -1.81 0.00 0.00 61.98 58.15 2krs s VAL 33 Cb -0.12 -1.93 -0.06 0.00 0.56 0.00 0.00 36.38 34.84 2krs s VAL 33 CO 0.03 -0.61 0.74 -1.61 -0.31 0.00 0.00 175.10 173.34 2krs s GLU 34 N -3.97 4.47 -0.20 4.82 2.02 -1.26 -2.43 118.70 122.16 2krs s GLU 34 Ca 0.20 1.02 -0.08 0.00 0.02 0.00 0.00 54.97 56.13 2krs s GLU 34 Cb 0.07 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 2krs s GLU 34 CO -0.01 0.31 0.08 0.42 0.02 0.00 0.00 175.26 176.08 2krs s ILE 35 N -0.14 4.81 -0.17 -1.63 1.01 -1.26 -2.55 121.20 121.26 2krs s ILE 35 Ca 0.37 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.88 2krs s ILE 35 Cb -0.20 -3.19 -0.22 0.00 0.01 0.00 0.00 42.46 38.86 2krs s ILE 35 CO 0.22 0.43 0.22 -0.38 0.00 0.00 0.00 174.94 175.44 2krs n ILE 36 N 3.78 1.66 -3.56 2.92 -0.00 -0.84 -4.98 119.36 118.33 2krs n ILE 36 Ca -0.16 -0.39 -0.06 0.00 -0.00 0.00 0.00 62.75 62.14 2krs n ILE 36 Cb 0.52 -1.84 -0.02 0.00 -0.00 0.00 0.00 39.64 38.30 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 -2.48 0.48 -0.16 0.38 -2.85 -1.26 -5.05 119.74 108.80 2krs s LYS 37 Ca -0.27 -0.18 -0.03 0.00 -1.00 0.00 0.00 55.97 54.50 2krs s LYS 37 Cb 0.07 0.22 -0.02 0.00 -2.06 0.00 0.00 37.83 36.04 2krs s LYS 37 CO 0.67 -0.21 -0.07 -2.00 0.10 0.00 0.00 175.35 173.84 2krs s GLU 38 N -2.66 3.51 -0.07 1.78 2.12 -1.26 -1.47 118.70 120.65 2krs s GLU 38 Ca 0.08 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.83 2krs s GLU 38 Cb -0.01 -2.84 0.01 0.00 0.26 0.00 0.00 34.13 31.55 2krs s GLU 38 CO -0.06 0.14 -0.13 0.08 -0.54 0.00 0.00 175.26 174.74 2krs s VAL 39 N 0.60 1.22 -1.22 3.70 1.01 0.53 -4.76 120.40 121.49 2krs s VAL 39 Ca -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2krs s VAL 39 Cb -0.15 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.13 2krs s VAL 39 CO 0.03 0.37 0.08 0.47 0.00 0.00 0.00 175.10 176.05 2krs n ASP 40 N 3.79 -4.32 0.00 3.32 8.00 -1.26 -0.24 116.55 125.85 2krs n ASP 40 Ca -0.23 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2krs n ASP 40 Cb 0.52 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.98 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 -0.91 2.83 3.77 0.44 0.00 -1.26 -5.01 105.19 105.04 2krs n GLY 41 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.57 3.25 -0.16 1.61 0.52 0.67 -4.39 118.94 118.88 2krs s TRP 42 Ca 0.00 1.59 -0.07 0.00 0.02 0.00 0.00 56.10 57.64 2krs s TRP 42 Cb 0.00 -3.37 -0.04 0.00 -1.15 0.00 0.00 33.47 28.91 2krs s TRP 42 CO 0.00 -1.08 0.08 0.71 0.02 0.00 0.00 176.95 176.68 2krs s TYR 43 N -1.32 3.32 -0.24 -1.98 2.02 -1.18 -0.35 117.35 117.63 2krs s TYR 43 Ca 0.52 0.21 -0.18 0.00 -0.37 0.00 0.00 57.07 57.24 2krs s TYR 43 Cb -0.31 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.19 2krs s TYR 43 CO 0.40 0.32 0.53 -2.00 -1.57 0.00 0.00 175.55 173.23 2krs s GLU 44 N -0.04 4.11 0.22 -0.62 2.12 -0.54 -2.60 118.70 121.35 2krs s GLU 44 Ca 0.07 0.38 0.08 0.00 0.36 0.00 0.00 54.97 55.87 2krs s GLU 44 Cb -0.12 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 2krs s GLU 44 CO 0.01 -0.29 -0.15 0.96 -0.54 0.00 0.00 175.26 175.24 2krs s ILE 45 N 2.12 1.85 -0.12 -3.70 -4.36 -0.96 -1.98 121.20 114.05 2krs s ILE 45 Ca 0.23 -2.24 0.03 0.00 -0.26 0.00 0.00 60.65 58.40 2krs s ILE 45 Cb -0.16 -2.09 0.01 0.00 1.25 0.00 0.00 42.46 41.47 2krs s ILE 45 CO 0.09 -0.56 -0.22 -0.60 0.24 0.00 0.00 174.94 173.89 2krs s ARG 46 N -3.62 2.95 -0.03 0.37 3.52 -1.06 -1.99 118.95 119.08 2krs s ARG 46 Ca 0.24 -0.83 -0.07 0.00 -0.13 0.00 0.00 55.73 54.93 2krs s ARG 46 Cb -0.01 -2.33 0.01 0.00 -1.56 0.00 0.00 34.95 31.06 2krs s ARG 46 CO 0.08 0.05 0.17 0.12 -0.81 0.00 0.00 175.30 174.91 2krs s PHE 47 N 0.65 -0.08 -1.14 5.12 5.36 0.14 -4.27 117.98 123.75 2krs s PHE 47 Ca -0.11 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.02 2krs s PHE 47 Cb -0.16 0.01 0.00 0.00 -0.34 0.00 0.00 43.02 42.53 2krs s PHE 47 CO 0.02 -0.20 0.00 0.27 -1.46 0.00 0.00 175.22 173.85 2krs n ASN 48 N 2.14 -3.57 -0.12 6.13 0.23 -1.26 0.92 115.26 119.73 2krs n ASN 48 Ca -0.18 0.24 -0.02 0.00 -0.53 0.00 0.00 54.58 54.10 2krs n ASN 48 Cb 0.57 -3.17 -0.01 0.00 -2.08 0.00 0.00 39.78 35.09 2krs n ASN 48 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2krs n GLY 49 N -0.55 0.52 3.27 4.83 0.00 -1.26 -5.03 105.19 106.96 2krs n GLY 49 Ca -0.13 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.69 1.38 -0.13 1.61 1.02 0.26 -5.14 119.74 117.06 2krs s LYS 50 Ca 0.00 -0.99 -0.01 0.00 0.02 0.00 0.00 55.97 54.99 2krs s LYS 50 Cb 0.00 -1.53 -0.02 0.00 -0.52 0.00 0.00 37.83 35.76 2krs s LYS 50 CO 0.00 0.39 -0.10 0.08 -0.92 0.00 0.00 175.35 174.80 2krs s VAL 51 N -0.86 3.38 0.00 3.17 1.01 -1.26 0.23 120.40 126.07 2krs s VAL 51 Ca 0.08 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2krs s VAL 51 Cb -0.09 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2krs s VAL 51 CO 0.02 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2krs n GLY 52 N 3.31 3.62 3.16 4.51 0.00 -0.84 -4.97 105.19 113.98 2krs n GLY 52 Ca -0.18 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.50 1.08 0.05 1.61 1.51 0.12 -2.26 117.35 115.96 2krs s TYR 53 Ca 0.00 -0.54 -0.03 0.00 -1.01 0.00 0.00 57.07 55.49 2krs s TYR 53 Cb 0.00 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.22 2krs s TYR 53 CO 0.00 0.02 0.02 0.00 -1.11 0.00 0.00 175.55 174.48 2krs s ALA 54 N -1.75 0.25 0.37 3.71 0.00 -1.07 -1.23 121.76 122.04 2krs s ALA 54 Ca -0.00 -0.92 -0.28 0.00 0.00 0.00 0.00 51.96 50.76 2krs s ALA 54 Cb -0.07 0.27 -0.11 0.00 0.00 0.00 0.00 23.12 23.21 2krs s ALA 54 CO 0.01 -0.34 1.47 0.45 0.00 0.00 0.00 175.76 177.35 2krs s SER 55 N -2.52 6.39 0.10 0.00 0.15 -1.26 -3.11 113.70 113.45 2krs s SER 55 Ca 0.01 3.01 0.26 0.00 0.70 0.00 0.00 55.95 59.93 2krs s SER 55 Cb 0.03 -2.67 0.73 0.00 -1.71 0.00 0.00 66.02 62.41 2krs s SER 55 CO -0.08 -0.84 1.63 2.29 1.20 0.00 0.00 173.24 177.44 2krs n LYS 56 N 0.56 0.17 0.26 5.44 -0.00 -1.26 -3.42 118.16 119.92 2krs n LYS 56 Ca 0.01 0.09 0.15 0.00 -0.00 0.00 0.00 58.31 58.57 2krs n LYS 56 Cb 0.39 -1.65 0.62 0.00 -0.00 0.00 0.00 35.03 34.39 2krs n LYS 56 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 2krs h SER 57 N 0.00 0.00 -0.07 -5.58 0.02 -1.92 -2.96 113.55 103.04 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 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2krs h SER 57 CO 0.00 0.06 0.00 -1.22 -1.14 0.00 0.00 176.83 174.53 2krs n TYR 58 N -3.18 0.09 -4.80 3.45 4.02 -1.23 -4.98 117.16 110.54 2krs n TYR 58 Ca 0.00 -0.22 -0.27 0.00 -0.01 0.00 0.00 57.90 57.40 2krs n TYR 58 Cb 0.34 -0.02 -0.17 0.00 -0.02 0.00 0.00 39.34 39.47 2krs n TYR 58 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2krs s ILE 59 N -0.68 1.49 -0.05 -0.72 1.01 -1.12 -1.05 121.20 120.07 2krs s ILE 59 Ca 0.08 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.08 2krs s ILE 59 Cb 0.05 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.20 2krs s ILE 59 CO 0.07 0.43 -0.14 -0.89 0.00 0.00 0.00 174.94 174.41 2krs s THR 60 N 0.58 1.22 -0.05 2.92 2.01 -1.06 -4.75 115.64 116.52 2krs s THR 60 Ca -0.15 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 60.99 2krs s THR 60 Cb -0.16 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 2krs s THR 60 CO 0.05 0.37 0.96 -0.63 -0.69 0.00 0.00 174.62 174.68 2krs s ILE 61 N 0.40 4.86 0.00 1.82 1.01 -1.26 -2.58 121.20 125.45 2krs s ILE 61 Ca -0.10 1.98 -0.01 0.00 0.00 0.00 0.00 60.65 62.52 2krs s ILE 61 Cb -0.14 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 2krs s ILE 61 CO 0.03 0.12 0.12 0.68 0.00 0.00 0.00 174.94 175.88 2krs s VAL 62 N 1.35 4.96 0.00 2.92 -7.23 -1.02 -4.97 120.40 116.41 2krs s VAL 62 Ca 0.49 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 2krs s VAL 62 Cb -0.20 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.44 2krs s VAL 62 CO 0.23 0.31 0.00 -3.20 -0.31 0.00 0.00 175.10 172.14 2krs n ASN 63 N 1.01 0.00 -4.50 4.85 2.85 -1.26 -4.16 115.26 114.05 2krs n ASN 63 Ca -0.12 0.00 -0.45 0.00 -0.11 0.00 0.00 54.58 53.91 2krs n ASN 63 Cb 0.52 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.53 2krs n ASN 63 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 2krs n GLU 64 N 5.87 0.76 0.00 1.20 0.28 -1.26 -4.61 120.64 122.89 2krs n GLU 64 Ca 0.00 0.27 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 2krs n GLU 64 Cb 0.00 -1.51 0.00 0.00 1.43 0.00 0.00 31.44 31.36 2krs n GLU 64 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2krs n GLY 65 N 1.59 -0.29 3.77 -1.84 0.00 -1.26 -4.76 105.19 102.39 2krs n GLY 65 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 2krs n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2krs s SER 66 N 0.00 -0.23 -0.37 1.61 0.01 -1.26 -5.13 113.70 108.34 2krs s SER 66 Ca 0.00 -0.67 -0.22 0.00 1.31 0.00 0.00 55.95 56.37 2krs s SER 66 Cb 0.00 0.69 0.01 0.00 0.21 0.00 0.00 66.02 66.92 2krs s SER 66 CO 0.00 -1.28 0.72 -0.22 0.41 0.00 0.00 173.24 172.87 2krs s LEU 67 N -2.94 4.20 0.51 2.44 1.98 -1.26 -5.04 118.68 118.58 2krs s LEU 67 Ca 0.14 0.21 -0.19 0.00 -2.89 0.00 0.00 54.13 51.40 2krs s LEU 67 Cb -0.04 -2.91 -0.07 0.00 0.66 0.00 0.00 46.19 43.82 2krs s LEU 67 CO 0.07 -0.69 1.04 -0.70 -1.89 0.00 0.00 176.35 174.18 2krs s GLU 68 N 2.94 3.68 0.08 1.98 2.12 -1.26 -5.07 118.70 123.17 2krs s GLU 68 Ca 0.28 1.31 0.09 0.00 0.36 0.00 0.00 54.97 57.01 2krs s GLU 68 Cb -0.14 -2.08 -0.03 0.00 0.26 0.00 0.00 34.13 32.14 2krs s GLU 68 CO 0.16 -0.53 -0.23 -3.38 -0.54 0.00 0.00 175.26 170.75 2krs s HIS 69 N -2.12 1.96 0.20 5.30 -3.43 -1.26 -5.15 115.29 110.79 2krs s HIS 69 Ca 0.66 -0.40 -0.12 0.00 -0.80 0.00 0.00 55.06 54.40 2krs s HIS 69 Cb -0.16 -1.11 0.00 0.00 -1.43 0.00 0.00 32.58 29.88 2krs s HIS 69 CO 0.25 0.19 0.40 -3.38 -2.00 0.00 0.00 174.74 170.19 2krs s HIS 70 N -0.99 0.27 0.44 0.38 -3.43 -1.26 -5.15 115.29 105.54 2krs s HIS 70 Ca 0.09 -0.62 -0.24 0.00 -0.80 0.00 0.00 55.06 53.49 2krs s HIS 70 Cb -0.10 0.12 -0.08 0.00 -1.43 0.00 0.00 32.58 31.10 2krs s HIS 70 CO 0.04 -0.85 1.18 -1.01 -2.00 0.00 0.00 174.74 172.10 2krs s HIS 71 N -3.96 2.93 -2.05 0.38 3.76 -1.26 -4.91 115.29 110.18 2krs s HIS 71 Ca 0.17 1.53 0.23 0.00 -0.15 0.00 0.00 55.06 56.84 2krs s HIS 71 Cb 0.01 -3.41 1.27 0.00 1.11 0.00 0.00 32.58 31.57 2krs s HIS 71 CO 0.02 -1.50 1.83 -2.39 -0.85 0.00 0.00 174.74 171.85 2krs n HIS 72 N -0.28 0.02 -0.19 1.40 1.44 -1.26 -3.72 115.22 112.64 2krs n HIS 72 Ca 0.06 -0.01 -0.09 0.00 -2.01 0.00 0.00 57.72 55.67 2krs n HIS 72 Cb 0.47 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.59 2krs n HIS 72 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2krs h HIS 73 N 0.31 0.94 0.00 -1.40 -0.00 -2.08 -3.58 115.15 109.33 2krs h HIS 73 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 2krs h HIS 73 Cb 0.07 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.22 2krs h HIS 73 CO 0.01 0.84 0.00 0.72 -0.00 0.00 0.00 177.93 179.50