#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 1.71 0.14 3.17 -1.52 -1.26 -0.66 119.66 121.24 2krs s GLN 2 Ca 0.00 -1.16 0.02 0.00 -1.95 0.00 0.00 55.36 52.27 2krs s GLN 2 Cb 0.00 -2.69 -0.04 0.00 -0.22 0.00 0.00 33.01 30.06 2krs s GLN 2 CO 0.00 -0.64 0.27 0.20 -0.25 0.00 0.00 175.29 174.87 2krs s GLY 3 N 1.29 1.77 -0.08 3.09 0.00 -0.82 -4.12 107.32 108.45 2krs s GLY 3 Ca -0.04 -1.01 0.03 0.00 0.00 0.00 0.00 44.72 43.70 2krs s GLY 3 CO -0.07 -1.00 -0.18 0.14 0.00 0.00 0.00 173.10 171.98 2krs s VAL 4 N -1.71 1.59 -0.11 1.40 1.01 -1.10 -2.55 120.40 118.94 2krs s VAL 4 Ca 0.35 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.35 2krs s VAL 4 Cb -0.11 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2krs s VAL 4 CO 0.28 0.46 0.63 -0.69 0.00 0.00 0.00 175.10 175.78 2krs s VAL 5 N 0.42 5.07 -0.27 2.92 1.01 -0.99 -2.18 120.40 126.39 2krs s VAL 5 Ca -0.15 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.10 2krs s VAL 5 Cb -0.16 -3.96 0.08 0.00 0.00 0.00 0.00 36.38 32.33 2krs s VAL 5 CO 0.06 0.23 0.02 -0.54 0.00 0.00 0.00 175.10 174.87 2krs s LYS 6 N 1.03 1.23 0.06 2.72 1.02 -0.77 0.16 119.74 125.20 2krs s LYS 6 Ca 0.33 -1.10 -0.00 0.00 0.02 0.00 0.00 55.97 55.21 2krs s LYS 6 Cb -0.17 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 2krs s LYS 6 CO 0.14 -0.77 -0.04 0.14 -0.92 0.00 0.00 175.35 173.90 2krs s VAL 7 N 1.42 0.35 -1.93 3.17 -7.23 -1.26 -4.77 120.40 110.15 2krs s VAL 7 Ca 0.02 -1.84 0.26 0.00 -1.81 0.00 0.00 61.98 58.61 2krs s VAL 7 Cb -0.18 -1.56 0.29 0.00 0.56 0.00 0.00 36.38 35.48 2krs s VAL 7 CO -0.12 -0.96 1.54 0.59 -0.31 0.00 0.00 175.10 175.84 2krs n ASN 8 N 0.07 1.25 -0.69 4.85 5.03 -1.26 -4.59 115.26 119.92 2krs n ASN 8 Ca -0.14 -1.08 0.00 0.00 0.87 0.00 0.00 54.58 54.24 2krs n ASN 8 Cb 0.61 0.14 0.00 0.00 -1.02 0.00 0.00 39.78 39.51 2krs n ASN 8 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2krs n SER 9 N -0.41 0.00 -4.77 6.41 7.64 -1.26 -5.12 113.62 116.12 2krs n SER 9 Ca 0.13 -0.69 -0.39 0.00 1.01 0.00 0.00 58.87 58.93 2krs n SER 9 Cb 0.37 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.56 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 -1.28 3.16 -0.11 -0.43 0.00 -1.26 -4.64 121.76 117.20 2krs s ALA 10 Ca 0.00 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.11 2krs s ALA 10 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 2krs s ALA 10 CO 0.00 -0.76 -0.19 -1.17 0.00 0.00 0.00 175.76 173.63 2krs s LEU 11 N -2.61 2.35 -0.02 0.00 2.96 -0.32 -4.98 118.68 116.06 2krs s LEU 11 Ca 0.59 -0.45 -0.20 0.00 -0.22 0.00 0.00 54.13 53.84 2krs s LEU 11 Cb -0.35 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 2krs s LEU 11 CO 0.44 0.17 0.58 0.20 -1.32 0.00 0.00 176.35 176.42 2krs s ASN 12 N 0.28 6.93 0.01 3.68 0.02 -1.26 0.26 114.94 124.86 2krs s ASN 12 Ca -0.14 1.11 0.01 0.00 -1.02 0.00 0.00 52.86 52.82 2krs s ASN 12 Cb -0.17 -2.35 -0.04 0.00 0.02 0.00 0.00 41.25 38.71 2krs s ASN 12 CO 0.07 0.08 0.06 -0.32 0.02 0.00 0.00 177.10 177.01 2krs s MET 13 N -0.05 2.97 0.28 -0.60 -2.45 -0.72 -4.92 119.30 113.80 2krs s MET 13 Ca 0.31 -0.55 0.12 0.00 -1.25 0.00 0.00 55.69 54.31 2krs s MET 13 Cb -0.18 -2.79 -0.05 0.00 1.25 0.00 0.00 34.83 33.06 2krs s MET 13 CO 0.16 0.63 -0.18 1.03 1.05 0.00 0.00 175.02 177.71 2krs s ARG 14 N -1.79 1.75 0.00 4.11 0.52 -1.07 -0.92 118.95 121.55 2krs s ARG 14 Ca 0.23 -1.72 0.30 0.00 -0.52 0.00 0.00 55.73 54.02 2krs s ARG 14 Cb -0.12 -1.82 1.38 0.00 0.52 0.00 0.00 34.95 34.91 2krs s ARG 14 CO 0.14 0.34 1.97 -1.13 0.02 0.00 0.00 175.30 176.64 2krs n SER 15 N -0.63 0.15 -3.75 0.23 3.41 -1.26 0.15 113.62 111.92 2krs n SER 15 Ca -0.05 -0.22 -0.08 0.00 -0.26 0.00 0.00 58.87 58.25 2krs n SER 15 Cb 0.60 -0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 2krs n SER 15 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2krs s GLY 16 N -2.59 -0.20 0.00 5.00 0.00 -1.26 -4.69 107.32 103.58 2krs s GLY 16 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.86 2krs s GLY 16 CO 0.48 -0.05 0.44 -1.55 0.00 0.00 0.00 173.10 172.42 2krs n PRO 17 N -0.43 0.50 -3.62 2.90 -0.04 -1.26 -4.67 135.00 128.38 2krs n PRO 17 Ca -0.07 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.02 2krs n PRO 17 Cb 0.61 -1.06 -0.10 0.00 -0.04 0.00 0.00 33.50 32.92 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 -1.28 1.98 0.01 0.55 0.00 -1.26 -4.95 107.32 102.38 2krs s GLY 18 Ca 0.00 -0.89 0.11 0.00 0.00 0.00 0.00 44.72 43.94 2krs s GLY 18 CO 0.00 0.49 1.34 -1.14 0.00 0.00 0.00 173.10 173.79 2krs n SER 19 N 4.45 0.03 -0.67 1.64 3.41 -1.26 -1.74 113.62 119.48 2krs n SER 19 Ca -0.14 0.51 0.09 0.00 -0.26 0.00 0.00 58.87 59.07 2krs n SER 19 Cb 0.52 -0.51 0.30 0.00 -0.26 0.00 0.00 64.21 64.25 2krs n SER 19 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2krs n ASN 20 N -1.53 1.98 0.01 4.04 0.23 -1.26 -3.81 115.26 114.91 2krs n ASN 20 Ca 0.02 -1.83 0.12 0.00 -0.53 0.00 0.00 54.58 52.37 2krs n ASN 20 Cb 0.12 -0.17 0.29 0.00 -2.08 0.00 0.00 39.78 37.94 2krs n ASN 20 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2krs n TYR 21 N 0.54 0.05 -0.30 -2.53 4.01 -0.71 -5.06 117.16 113.16 2krs n TYR 21 Ca 0.16 0.01 0.04 0.00 -0.16 0.00 0.00 57.90 57.95 2krs n TYR 21 Cb 0.36 -0.32 -0.01 0.00 -0.31 0.00 0.00 39.34 39.06 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 1.49 -1.62 3.69 2.72 0.00 -1.25 -4.75 105.19 105.46 2krs n GLY 22 Ca 0.06 -1.45 -0.38 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 -1.58 5.17 -1.39 1.61 0.11 -1.26 -4.39 120.40 118.67 2krs s VAL 23 Ca 0.00 0.89 0.16 0.00 -2.93 0.00 0.00 61.98 60.09 2krs s VAL 23 Cb 0.00 -3.80 -0.01 0.00 -1.53 0.00 0.00 36.38 31.04 2krs s VAL 23 CO 0.00 0.27 0.83 2.30 -3.33 0.00 0.00 175.10 175.16 2krs n ILE 24 N 4.09 0.00 -3.82 7.04 -5.35 -0.10 -4.98 119.36 116.24 2krs n ILE 24 Ca -0.07 -0.33 0.02 0.00 -0.27 0.00 0.00 62.75 62.10 2krs n ILE 24 Cb 0.51 1.17 0.01 0.00 -1.74 0.00 0.00 39.64 39.59 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 -1.89 -0.24 -0.07 3.28 0.00 -1.25 -5.01 107.32 102.14 2krs s GLY 25 Ca 0.12 0.30 0.03 0.00 0.00 0.00 0.00 44.72 45.17 2krs s GLY 25 CO 0.41 2.98 -0.16 -1.59 0.00 0.00 0.00 173.10 174.73 2krs s THR 26 N -2.21 1.44 -0.02 0.90 2.01 -1.26 -1.75 115.64 114.74 2krs s THR 26 Ca 0.22 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.60 2krs s THR 26 Cb 0.02 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 2krs s THR 26 CO -0.02 0.42 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.47 2krs s LEU 27 N 0.52 2.97 0.32 4.42 1.43 0.14 -4.93 118.68 123.55 2krs s LEU 27 Ca -0.15 -0.18 0.08 0.00 -1.03 0.00 0.00 54.13 52.85 2krs s LEU 27 Cb -0.16 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 2krs s LEU 27 CO 0.05 0.31 0.21 -0.13 0.23 0.00 0.00 176.35 177.02 2krs s ARG 28 N -1.12 2.60 0.98 1.70 0.52 -1.26 -1.18 118.95 121.19 2krs s ARG 28 Ca 0.14 -1.36 -0.12 0.00 -0.52 0.00 0.00 55.73 53.88 2krs s ARG 28 Cb -0.11 -2.36 0.18 0.00 0.52 0.00 0.00 34.95 33.18 2krs s ARG 28 CO 0.04 0.16 1.08 0.54 0.02 0.00 0.00 175.30 177.14 2krs s ASN 29 N -3.90 2.65 0.00 0.23 2.20 -1.26 -2.86 114.94 111.99 2krs s ASN 29 Ca 0.38 1.46 0.00 0.00 -0.94 0.00 0.00 52.86 53.76 2krs s ASN 29 Cb -0.05 -2.14 0.00 0.00 -2.00 0.00 0.00 41.25 37.06 2krs s ASN 29 CO 0.25 -3.15 0.00 0.59 -2.94 0.00 0.00 177.10 171.84 2krs n ASN 30 N -4.22 -1.84 -4.76 3.54 5.03 0.12 -4.91 115.26 108.23 2krs n ASN 30 Ca 0.06 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.11 2krs n ASN 30 Cb 0.55 -2.74 -0.04 0.00 -1.02 0.00 0.00 39.78 36.54 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 -1.94 7.16 -0.20 6.41 1.01 -1.14 -4.87 116.67 123.11 2krs s ASP 31 Ca 0.00 2.36 -0.06 0.00 0.71 0.00 0.00 52.55 55.57 2krs s ASP 31 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 2krs s ASP 31 CO 0.00 -0.23 0.02 -0.54 0.21 0.00 0.00 175.17 174.63 2krs s LYS 32 N -1.53 3.71 0.12 8.23 1.02 -1.26 -2.34 119.74 127.69 2krs s LYS 32 Ca 0.45 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 55.98 2krs s LYS 32 Cb -0.34 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 2krs s LYS 32 CO 0.44 0.07 -0.02 0.14 -0.92 0.00 0.00 175.35 175.06 2krs s VAL 33 N 0.87 0.54 -0.25 3.17 -7.23 -1.06 -5.05 120.40 111.40 2krs s VAL 33 Ca 0.02 -1.93 -0.10 0.00 -1.81 0.00 0.00 61.98 58.15 2krs s VAL 33 Cb -0.14 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.88 2krs s VAL 33 CO 0.02 -0.68 0.16 -0.70 -0.31 0.00 0.00 175.10 173.58 2krs s GLU 34 N -3.91 4.01 -0.04 4.82 2.12 -1.26 -1.94 118.70 122.50 2krs s GLU 34 Ca 0.17 -0.30 -0.25 0.00 0.36 0.00 0.00 54.97 54.95 2krs s GLU 34 Cb 0.06 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 2krs s GLU 34 CO -0.01 0.00 0.78 0.42 -0.54 0.00 0.00 175.26 175.91 2krs s ILE 35 N 1.21 4.99 -0.23 -3.70 1.01 0.16 -2.58 121.20 122.07 2krs s ILE 35 Ca 0.07 1.62 -0.16 0.00 0.00 0.00 0.00 60.65 62.18 2krs s ILE 35 Cb -0.14 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 2krs s ILE 35 CO 0.06 0.23 -0.31 -0.38 0.00 0.00 0.00 174.94 174.53 2krs n ILE 36 N 3.78 1.51 -3.73 2.92 5.41 0.12 -0.31 119.36 129.06 2krs n ILE 36 Ca 0.01 -0.11 -0.13 0.00 1.00 0.00 0.00 62.75 63.53 2krs n ILE 36 Cb 0.51 -2.12 -0.08 0.00 -0.71 0.00 0.00 39.64 37.25 2krs n ILE 36 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2krs s LYS 37 N -2.66 0.79 -0.19 0.38 2.20 -1.25 -4.82 119.74 114.19 2krs s LYS 37 Ca -0.33 -0.35 -0.03 0.00 -0.36 0.00 0.00 55.97 54.91 2krs s LYS 37 Cb 0.09 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.75 2krs s LYS 37 CO 0.45 -0.24 -0.07 -2.00 -0.36 0.00 0.00 175.35 173.13 2krs s GLU 38 N -2.07 3.37 -0.04 4.03 2.12 -1.26 0.29 118.70 125.13 2krs s GLU 38 Ca -0.08 -0.65 0.02 0.00 0.36 0.00 0.00 54.97 54.63 2krs s GLU 38 Cb -0.02 -2.89 0.01 0.00 0.26 0.00 0.00 34.13 31.49 2krs s GLU 38 CO -0.00 -0.09 -0.10 0.08 -0.54 0.00 0.00 175.26 174.61 2krs s VAL 39 N 1.16 0.93 -1.32 3.70 1.01 0.82 -4.76 120.40 121.94 2krs s VAL 39 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2krs s VAL 39 Cb -0.14 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2krs s VAL 39 CO -0.02 0.30 0.00 0.47 0.00 0.00 0.00 175.10 175.85 2krs n ASP 40 N 3.56 -3.99 0.00 3.32 8.00 -1.26 0.22 116.55 126.40 2krs n ASP 40 Ca -0.21 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2krs n ASP 40 Cb 0.53 -3.51 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 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 -0.58 3.11 3.78 0.44 0.00 -1.26 -5.03 105.19 105.65 2krs n GLY 41 Ca -0.15 0.00 -0.37 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 -2.22 3.29 -0.16 1.61 0.52 0.13 -4.23 118.94 117.89 2krs s TRP 42 Ca 0.00 1.64 -0.05 0.00 0.02 0.00 0.00 56.10 57.71 2krs s TRP 42 Cb 0.00 -3.19 -0.03 0.00 -1.15 0.00 0.00 33.47 29.09 2krs s TRP 42 CO 0.00 -0.71 0.02 0.71 0.02 0.00 0.00 176.95 176.99 2krs s TYR 43 N -1.54 3.17 -0.20 -1.98 2.02 -0.53 -0.13 117.35 118.16 2krs s TYR 43 Ca 0.56 -0.03 -0.22 0.00 -0.37 0.00 0.00 57.07 57.01 2krs s TYR 43 Cb -0.25 -1.99 -0.02 0.00 -0.40 0.00 0.00 41.96 39.30 2krs s TYR 43 CO 0.31 0.15 0.67 -2.00 -1.57 0.00 0.00 175.55 173.11 2krs s GLU 44 N 0.14 4.22 0.21 -0.62 2.12 0.15 -1.86 118.70 123.06 2krs s GLU 44 Ca 0.02 0.70 0.07 0.00 0.36 0.00 0.00 54.97 56.12 2krs s GLU 44 Cb -0.13 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.63 2krs s GLU 44 CO 0.01 -0.27 -0.13 0.96 -0.54 0.00 0.00 175.26 175.30 2krs s ILE 45 N 2.01 1.67 -0.09 -3.70 -4.36 -0.89 0.14 121.20 115.98 2krs s ILE 45 Ca 0.30 -2.19 0.03 0.00 -0.26 0.00 0.00 60.65 58.54 2krs s ILE 45 Cb -0.16 -2.08 0.00 0.00 1.25 0.00 0.00 42.46 41.47 2krs s ILE 45 CO 0.11 -0.57 -0.20 -0.60 0.24 0.00 0.00 174.94 173.91 2krs s ARG 46 N -3.67 2.65 -0.13 0.37 3.52 -1.07 -1.58 118.95 119.04 2krs s ARG 46 Ca 0.23 -0.74 -0.08 0.00 -0.13 0.00 0.00 55.73 55.02 2krs s ARG 46 Cb 0.00 -2.05 0.05 0.00 -1.56 0.00 0.00 34.95 31.39 2krs s ARG 46 CO 0.07 0.11 0.32 0.12 -0.81 0.00 0.00 175.30 175.11 2krs s PHE 47 N 0.49 -0.43 -1.47 5.12 5.36 0.17 -4.16 117.98 123.05 2krs s PHE 47 Ca -0.16 0.98 -0.07 0.00 -0.96 0.00 0.00 56.93 56.71 2krs s PHE 47 Cb -0.17 0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.67 2krs s PHE 47 CO 0.06 -0.26 0.75 -1.71 -1.46 0.00 0.00 175.22 172.60 2krs n ASN 48 N 4.04 -5.67 -0.45 6.13 2.85 -1.26 -0.33 115.26 120.58 2krs n ASN 48 Ca -0.23 -0.41 -0.06 0.00 -0.11 0.00 0.00 54.58 53.78 2krs n ASN 48 Cb 0.55 -4.56 -0.02 0.00 1.24 0.00 0.00 39.78 36.98 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 -1.59 0.77 3.36 8.20 0.00 -1.26 -4.99 105.19 109.68 2krs n GLY 49 Ca -0.06 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 2krs n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2krs s LYS 50 N -2.05 2.55 -0.14 1.61 2.20 0.55 -5.12 119.74 119.35 2krs s LYS 50 Ca 0.00 -0.81 -0.02 0.00 -0.36 0.00 0.00 55.97 54.78 2krs s LYS 50 Cb 0.00 -2.27 -0.02 0.00 -1.51 0.00 0.00 37.83 34.02 2krs s LYS 50 CO 0.00 0.48 -0.08 0.08 -0.36 0.00 0.00 175.35 175.48 2krs s VAL 51 N -0.39 3.55 0.00 4.02 1.01 -1.26 0.46 120.40 127.80 2krs s VAL 51 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2krs s VAL 51 Cb -0.12 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.73 2krs s VAL 51 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2krs n GLY 52 N 3.39 4.41 3.05 4.51 0.00 -0.61 -4.85 105.19 115.08 2krs n GLY 52 Ca -0.18 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.96 0.51 0.01 1.61 1.51 0.12 -2.09 117.35 117.05 2krs s TYR 53 Ca 0.00 -0.73 -0.08 0.00 -1.01 0.00 0.00 57.07 55.25 2krs s TYR 53 Cb 0.00 -0.34 0.00 0.00 -0.11 0.00 0.00 41.96 41.52 2krs s TYR 53 CO 0.00 -0.22 0.15 0.00 -1.11 0.00 0.00 175.55 174.38 2krs s ALA 54 N -2.44 -0.35 0.54 3.71 0.00 -0.78 -2.60 121.76 119.85 2krs s ALA 54 Ca -0.04 -0.13 -0.17 0.00 0.00 0.00 0.00 51.96 51.61 2krs s ALA 54 Cb -0.03 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.16 2krs s ALA 54 CO -0.04 -0.23 1.04 -1.54 0.00 0.00 0.00 175.76 174.99 2krs s SER 55 N -1.47 6.12 0.40 0.00 1.04 -1.26 -1.46 113.70 117.07 2krs s SER 55 Ca -0.14 1.81 0.13 0.00 0.48 0.00 0.00 55.95 58.24 2krs s SER 55 Cb -0.07 -2.54 0.82 0.00 0.10 0.00 0.00 66.02 64.33 2krs s SER 55 CO 0.01 -0.93 1.89 0.50 0.98 0.00 0.00 173.24 175.69 2krs h LYS 56 N 0.91 0.02 -0.39 4.02 3.64 -1.84 -2.60 116.57 120.34 2krs h LYS 56 Ca -0.48 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.01 2krs h LYS 56 Cb 1.21 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2krs h LYS 56 CO 0.59 0.31 0.30 0.66 -2.27 0.00 0.00 179.45 179.04 2krs h SER 57 N 0.02 0.00 -0.01 4.20 4.64 -1.94 -1.27 113.55 119.18 2krs h SER 57 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2krs h SER 57 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2krs h SER 57 CO 0.04 0.00 -0.36 -1.22 -0.87 0.00 0.00 176.83 174.42 2krs n TYR 58 N -4.25 0.00 -4.67 4.77 4.01 -1.06 -4.95 117.16 111.00 2krs n TYR 58 Ca 0.06 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.47 2krs n TYR 58 Cb 0.49 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.77 3.29 -0.07 -0.72 1.09 -0.48 -1.85 121.20 120.69 2krs s ILE 59 Ca 0.09 -0.58 0.04 0.00 -1.10 0.00 0.00 60.65 59.10 2krs s ILE 59 Cb 0.10 -2.40 0.00 0.00 -1.06 0.00 0.00 42.46 39.10 2krs s ILE 59 CO 0.38 0.52 -0.20 -0.89 -0.10 0.00 0.00 174.94 174.65 2krs s THR 60 N 0.34 1.68 0.07 2.92 2.01 -0.93 -4.69 115.64 117.04 2krs s THR 60 Ca -0.09 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 2krs s THR 60 Cb -0.15 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 2krs s THR 60 CO 0.05 0.47 1.09 -0.63 -0.69 0.00 0.00 174.62 174.91 2krs s ILE 61 N 0.28 4.32 0.02 1.82 1.01 -1.26 -2.69 121.20 124.70 2krs s ILE 61 Ca -0.12 1.74 -0.28 0.00 0.00 0.00 0.00 60.65 61.99 2krs s ILE 61 Cb -0.15 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2krs s ILE 61 CO 0.05 0.17 0.88 -0.69 0.00 0.00 0.00 174.94 175.35 2krs s VAL 62 N 0.73 4.78 -0.82 2.92 1.01 -1.26 -4.17 120.40 123.59 2krs s VAL 62 Ca 0.54 1.85 -0.02 0.00 0.00 0.00 0.00 61.98 64.35 2krs s VAL 62 Cb -0.26 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 2krs s VAL 62 CO 0.30 0.26 0.73 0.59 0.00 0.00 0.00 175.10 176.98 2krs n ASN 63 N 3.36 -7.18 -3.00 3.32 3.02 -1.26 -4.97 115.26 108.55 2krs n ASN 63 Ca 0.02 -0.32 -0.00 0.00 -0.03 0.00 0.00 54.58 54.25 2krs n ASN 63 Cb 0.50 -4.81 0.00 0.00 -0.61 0.00 0.00 39.78 34.87 2krs n ASN 63 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2krs n GLU 64 N -2.22 -0.52 -1.93 3.52 4.71 -1.26 -4.70 120.64 118.24 2krs n GLU 64 Ca -0.05 -0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.71 2krs n GLU 64 Cb 0.54 -0.01 -0.03 0.00 -1.01 0.00 0.00 31.44 30.94 2krs n GLU 64 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2krs s GLY 65 N -1.26 0.19 0.45 0.62 0.00 -1.26 -4.95 107.32 101.11 2krs s GLY 65 Ca 0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 44.72 44.17 2krs s GLY 65 CO 0.00 3.54 1.13 -0.45 0.00 0.00 0.00 173.10 177.32 2krs s SER 66 N 8.53 6.29 0.35 1.64 0.15 -1.26 -4.73 113.70 124.67 2krs s SER 66 Ca 0.76 2.21 0.00 0.00 0.70 0.00 0.00 55.95 59.62 2krs s SER 66 Cb -0.16 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 2krs s SER 66 CO 0.24 -0.83 0.00 0.18 1.20 0.00 0.00 173.24 174.03 2krs n LEU 67 N -0.48 -0.71 -1.52 3.45 4.77 -1.26 -4.76 117.00 116.50 2krs n LEU 67 Ca 0.07 1.57 -0.14 0.00 -0.03 0.00 0.00 56.01 57.49 2krs n LEU 67 Cb 0.49 -4.23 -0.05 0.00 -2.33 0.00 0.00 43.42 37.30 2krs n LEU 67 CO 0.46 -3.45 -0.13 -0.62 -1.33 0.00 0.00 177.39 172.32 2krs n GLU 68 N -4.04 -1.40 0.10 3.23 1.02 -1.26 -4.77 120.64 113.51 2krs n GLU 68 Ca -0.00 0.79 0.13 0.00 -0.02 0.00 0.00 57.16 58.05 2krs n GLU 68 Cb 0.66 -5.08 0.33 0.00 -0.02 0.00 0.00 31.44 27.33 2krs n GLU 68 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2krs n HIS 69 N -2.09 0.85 0.00 -0.32 1.44 -1.26 -4.94 115.22 108.90 2krs n HIS 69 Ca -0.14 0.25 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 2krs n HIS 69 Cb 0.47 -0.87 0.00 0.00 0.12 0.00 0.00 29.99 29.70 2krs n HIS 69 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2krs n HIS 70 N -2.24 0.00 0.00 -1.40 -0.00 -1.26 -4.16 115.22 106.16 2krs n HIS 70 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 2krs n HIS 70 Cb 0.44 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 2krs n HIS 70 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2krs n HIS 71 N 0.00 -0.75 -3.75 1.57 -0.00 -1.26 -5.15 115.22 105.88 2krs n HIS 71 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 2krs n HIS 71 Cb 0.00 0.37 -0.04 0.00 -0.12 0.00 0.00 29.99 30.20 2krs n HIS 71 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2krs s HIS 72 N -1.74 -0.06 0.24 1.57 5.65 -1.26 -5.14 115.29 114.55 2krs s HIS 72 Ca 0.00 -0.28 0.00 0.00 0.25 0.00 0.00 55.06 55.03 2krs s HIS 72 Cb 0.00 0.30 0.00 0.00 -1.18 0.00 0.00 32.58 31.70 2krs s HIS 72 CO 0.00 -0.84 0.00 0.72 -0.65 0.00 0.00 174.74 173.97 2krs n HIS 73 N -0.30 -3.15 0.00 3.88 8.25 -1.26 -5.15 115.22 117.48 2krs n HIS 73 Ca -0.11 1.29 0.00 0.00 -0.26 0.00 0.00 57.72 58.64 2krs n HIS 73 Cb 0.63 -2.34 0.00 0.00 1.12 0.00 0.00 29.99 29.40 2krs n HIS 73 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70