#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 1.44 0.42 2.12 -1.52 -1.26 -4.05 119.66 116.80 2krs s GLN 2 Ca 0.00 -0.44 -0.07 0.00 -1.95 0.00 0.00 55.36 52.89 2krs s GLN 2 Cb 0.00 -1.89 -0.05 0.00 -0.22 0.00 0.00 33.01 30.85 2krs s GLN 2 CO 0.00 -0.39 0.74 0.20 -0.25 0.00 0.00 175.29 175.59 2krs s GLY 3 N 1.66 1.74 -0.06 3.09 0.00 -0.70 -3.78 107.32 109.27 2krs s GLY 3 Ca 0.02 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.39 2krs s GLY 3 CO -0.08 -0.22 -0.17 0.14 0.00 0.00 0.00 173.10 172.78 2krs s VAL 4 N -2.48 1.44 -0.05 1.40 1.01 -1.04 -1.79 120.40 118.90 2krs s VAL 4 Ca 0.48 -0.69 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 2krs s VAL 4 Cb -0.10 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2krs s VAL 4 CO 0.37 0.42 0.92 -0.69 0.00 0.00 0.00 175.10 176.11 2krs s VAL 5 N 0.29 4.89 -0.33 2.92 1.01 -1.13 -2.58 120.40 125.47 2krs s VAL 5 Ca -0.10 1.90 -0.01 0.00 0.00 0.00 0.00 61.98 63.77 2krs s VAL 5 Cb -0.14 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.07 2krs s VAL 5 CO 0.04 0.14 0.05 -0.54 0.00 0.00 0.00 175.10 174.79 2krs s LYS 6 N 1.24 2.16 0.05 2.72 -0.14 0.11 -2.04 119.74 123.84 2krs s LYS 6 Ca 0.47 -1.51 -0.08 0.00 -1.36 0.00 0.00 55.97 53.49 2krs s LYS 6 Cb -0.19 -3.27 -0.00 0.00 -1.68 0.00 0.00 37.83 32.68 2krs s LYS 6 CO 0.23 -0.78 0.16 0.54 -0.76 0.00 0.00 175.35 174.74 2krs s VAL 7 N 1.16 0.12 0.20 3.17 0.11 -1.26 -4.56 120.40 119.34 2krs s VAL 7 Ca 0.00 -1.02 -0.10 0.00 -2.93 0.00 0.00 61.98 57.93 2krs s VAL 7 Cb -0.20 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.78 2krs s VAL 7 CO -0.03 -0.56 1.78 0.78 -3.33 0.00 0.00 175.10 173.74 2krs h ASN 8 N 3.38 0.96 0.00 3.54 -0.26 -2.00 -3.43 115.58 117.77 2krs h ASN 8 Ca -0.33 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 2krs h ASN 8 Cb 1.19 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.20 2krs h ASN 8 CO 0.51 0.83 -0.04 -1.20 -1.06 0.00 0.00 177.43 176.47 2krs n SER 9 N -4.40 0.03 -3.62 5.81 7.64 -1.26 -4.99 113.62 112.82 2krs n SER 9 Ca 0.06 0.34 -0.15 0.00 1.01 0.00 0.00 58.87 60.13 2krs n SER 9 Cb 0.14 0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.56 -0.14 -0.43 0.00 -1.26 -3.63 121.76 112.74 2krs s ALA 10 Ca 0.00 1.47 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 2krs s ALA 10 Cb 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 2krs s ALA 10 CO 0.00 -0.32 -0.09 -1.17 0.00 0.00 0.00 175.76 174.18 2krs s LEU 11 N -0.38 2.96 0.25 0.00 2.96 0.59 -4.90 118.68 120.16 2krs s LEU 11 Ca -0.05 -0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 53.33 2krs s LEU 11 Cb -0.03 -1.68 -0.09 0.00 0.50 0.00 0.00 46.19 44.88 2krs s LEU 11 CO 0.04 0.18 1.19 0.54 -1.32 0.00 0.00 176.35 176.98 2krs s ASN 12 N 0.28 7.08 -0.14 3.68 4.22 -1.26 0.26 114.94 129.05 2krs s ASN 12 Ca -0.07 2.35 -0.08 0.00 -2.14 0.00 0.00 52.86 52.93 2krs s ASN 12 Cb -0.15 -2.62 -0.04 0.00 1.28 0.00 0.00 41.25 39.71 2krs s ASN 12 CO 0.04 -0.32 0.13 -0.32 -2.04 0.00 0.00 177.10 174.59 2krs s MET 13 N -1.03 3.66 0.21 3.55 1.75 -0.37 -4.84 119.30 122.24 2krs s MET 13 Ca 0.49 -0.18 0.07 0.00 -1.25 0.00 0.00 55.69 54.82 2krs s MET 13 Cb -0.34 -3.24 -0.04 0.00 2.84 0.00 0.00 34.83 34.05 2krs s MET 13 CO 0.42 0.62 0.12 1.03 -0.65 0.00 0.00 175.02 176.55 2krs s ARG 14 N -0.56 2.74 0.01 4.11 0.52 -0.67 -2.26 118.95 122.83 2krs s ARG 14 Ca 0.12 -1.06 0.27 0.00 -0.52 0.00 0.00 55.73 54.55 2krs s ARG 14 Cb -0.12 -2.50 0.91 0.00 0.52 0.00 0.00 34.95 33.77 2krs s ARG 14 CO 0.02 0.43 1.70 -1.13 0.02 0.00 0.00 175.30 176.34 2krs n SER 15 N -0.70 0.25 -1.36 0.23 3.41 -1.26 0.18 113.62 114.37 2krs n SER 15 Ca -0.08 0.20 -0.01 0.00 -0.26 0.00 0.00 58.87 58.71 2krs n SER 15 Cb 0.57 -0.20 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 1.49 1.65 2.74 5.00 0.00 -1.26 -4.77 105.19 110.04 2krs n GLY 16 Ca 0.06 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.11 3.28 -3.65 1.61 -0.04 -1.26 -4.74 135.00 130.09 2krs n PRO 17 Ca -0.01 -2.96 0.01 0.00 -0.04 0.00 0.00 63.50 60.49 2krs n PRO 17 Cb 0.11 -3.09 -0.06 0.00 -0.04 0.00 0.00 33.50 30.42 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 2.11 0.59 0.00 0.55 0.00 -1.26 -5.01 107.32 104.29 2krs s GLY 18 Ca 0.46 3.80 0.25 0.00 0.00 0.00 0.00 44.72 49.23 2krs s GLY 18 CO -0.05 2.40 1.80 1.44 0.00 0.00 0.00 173.10 178.69 2krs n SER 19 N 2.29 0.00 -0.15 1.64 7.64 -1.26 -2.76 113.62 121.02 2krs n SER 19 Ca -0.14 0.36 0.15 0.00 1.01 0.00 0.00 58.87 60.25 2krs n SER 19 Cb 0.56 -0.45 0.75 0.00 -1.01 0.00 0.00 64.21 64.07 2krs n SER 19 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2krs n ASN 20 N -1.45 0.49 -0.13 6.43 5.15 -1.26 -3.24 115.26 121.25 2krs n ASN 20 Ca 0.07 -0.97 0.13 0.00 -0.60 0.00 0.00 54.58 53.22 2krs n ASN 20 Cb 0.27 -0.03 0.49 0.00 -0.53 0.00 0.00 39.78 39.97 2krs n ASN 20 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2krs n TYR 21 N -0.71 0.00 -0.21 1.20 4.02 -1.11 -5.05 117.16 115.30 2krs n TYR 21 Ca 0.20 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 58.12 2krs n TYR 21 Cb 0.22 -0.20 -0.01 0.00 -0.02 0.00 0.00 39.34 39.33 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 1.34 -2.30 3.69 2.72 0.00 -1.20 -4.75 105.19 104.70 2krs n GLY 22 Ca 0.12 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.55 5.25 -1.80 1.61 0.11 -1.26 -4.22 120.40 117.54 2krs s VAL 23 Ca 0.00 0.63 0.20 0.00 -2.93 0.00 0.00 61.98 59.88 2krs s VAL 23 Cb 0.00 -3.68 -0.02 0.00 -1.53 0.00 0.00 36.38 31.15 2krs s VAL 23 CO 0.00 0.31 1.00 2.30 -3.33 0.00 0.00 175.10 175.38 2krs n ILE 24 N 4.03 0.00 -4.01 7.04 -5.35 -0.96 -5.02 119.36 115.08 2krs n ILE 24 Ca -0.10 -0.27 0.03 0.00 -0.27 0.00 0.00 62.75 62.14 2krs n ILE 24 Cb 0.51 1.22 0.01 0.00 -1.74 0.00 0.00 39.64 39.65 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 1.34 0.22 3.17 3.28 0.00 -1.25 -5.04 105.19 106.91 2krs n GLY 25 Ca 0.08 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.02 0.79 0.04 2.61 -4.23 -1.26 -1.23 115.64 110.34 2krs s THR 26 Ca 0.24 -1.80 0.07 0.00 -1.18 0.00 0.00 61.69 59.02 2krs s THR 26 Cb -0.00 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.29 2krs s THR 26 CO -0.02 -0.74 -0.20 -0.76 -0.54 0.00 0.00 174.62 172.36 2krs s LEU 27 N -2.78 2.17 0.61 4.79 1.43 0.14 -4.86 118.68 120.18 2krs s LEU 27 Ca 0.09 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2krs s LEU 27 Cb 0.02 -0.95 0.07 0.00 0.03 0.00 0.00 46.19 45.35 2krs s LEU 27 CO -0.03 0.15 0.85 -0.13 0.23 0.00 0.00 176.35 177.42 2krs s ARG 28 N -1.20 2.22 0.38 1.70 0.52 -1.26 -0.30 118.95 121.02 2krs s ARG 28 Ca 0.07 -0.99 -0.25 0.00 -0.52 0.00 0.00 55.73 54.04 2krs s ARG 28 Cb -0.09 -2.46 -0.09 0.00 0.52 0.00 0.00 34.95 32.84 2krs s ARG 28 CO 0.02 -0.97 1.09 0.54 0.02 0.00 0.00 175.30 176.00 2krs s ASN 29 N -4.55 6.76 -1.54 0.23 4.22 -1.24 -3.22 114.94 115.60 2krs s ASN 29 Ca 0.61 2.17 -0.05 0.00 -2.14 0.00 0.00 52.86 53.45 2krs s ASN 29 Cb -0.08 -2.60 0.01 0.00 1.28 0.00 0.00 41.25 39.86 2krs s ASN 29 CO 0.40 -0.50 0.54 -3.20 -2.04 0.00 0.00 177.10 172.30 2krs n ASN 30 N 0.17 -5.81 -4.56 3.54 2.85 -0.87 -4.94 115.26 105.64 2krs n ASN 30 Ca 0.04 -0.27 -0.42 0.00 -0.11 0.00 0.00 54.58 53.82 2krs n ASN 30 Cb 0.48 -4.72 -0.06 0.00 1.24 0.00 0.00 39.78 36.73 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 -2.64 6.46 0.05 1.20 2.15 -1.20 -4.88 116.67 117.81 2krs s ASP 31 Ca 0.29 0.11 -0.30 0.00 0.43 0.00 0.00 52.55 53.07 2krs s ASP 31 Cb -0.13 -2.37 -0.05 0.00 -0.30 0.00 0.00 42.92 40.07 2krs s ASP 31 CO 0.35 -0.77 1.13 -0.54 -0.17 0.00 0.00 175.17 175.18 2krs s LYS 32 N 3.06 4.48 0.12 4.34 1.02 -1.26 -2.85 119.74 128.65 2krs s LYS 32 Ca 0.29 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.95 2krs s LYS 32 Cb -0.13 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 2krs s LYS 32 CO 0.19 -0.18 0.01 0.14 -0.92 0.00 0.00 175.35 174.58 2krs s VAL 33 N 0.96 0.38 -0.24 3.17 -7.23 -0.74 -5.03 120.40 111.68 2krs s VAL 33 Ca 0.56 -1.91 -0.09 0.00 -1.81 0.00 0.00 61.98 58.73 2krs s VAL 33 Cb -0.27 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 2krs s VAL 33 CO 0.29 -0.63 0.12 -0.70 -0.31 0.00 0.00 175.10 173.87 2krs s GLU 34 N -3.95 3.92 -0.15 4.82 2.12 -1.26 -1.71 118.70 122.48 2krs s GLU 34 Ca 0.19 -0.35 -0.21 0.00 0.36 0.00 0.00 54.97 54.96 2krs s GLU 34 Cb 0.07 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 2krs s GLU 34 CO -0.01 -0.01 0.62 0.42 -0.54 0.00 0.00 175.26 175.74 2krs s ILE 35 N 1.22 5.06 -0.21 -3.70 1.01 -1.26 -2.42 121.20 120.90 2krs s ILE 35 Ca 0.06 1.20 -0.15 0.00 0.00 0.00 0.00 60.65 61.76 2krs s ILE 35 Cb -0.14 -3.94 -0.19 0.00 0.01 0.00 0.00 42.46 38.19 2krs s ILE 35 CO 0.05 0.18 0.09 -0.38 0.00 0.00 0.00 174.94 174.88 2krs n ILE 36 N 4.31 1.58 -3.53 2.92 5.41 -0.19 -5.00 119.36 124.85 2krs n ILE 36 Ca -0.02 -0.28 -0.08 0.00 1.00 0.00 0.00 62.75 63.37 2krs n ILE 36 Cb 0.50 -1.89 -0.03 0.00 -0.71 0.00 0.00 39.64 37.51 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 -2.45 0.68 -0.23 0.38 2.20 -1.25 -5.02 119.74 114.05 2krs s LYS 37 Ca -0.30 -0.18 -0.06 0.00 -0.36 0.00 0.00 55.97 55.07 2krs s LYS 37 Cb 0.08 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.70 2krs s LYS 37 CO 0.61 -0.28 0.02 -2.00 -0.36 0.00 0.00 175.35 173.34 2krs s GLU 38 N -2.60 3.56 -0.06 4.03 2.12 -1.26 -0.09 118.70 124.41 2krs s GLU 38 Ca 0.04 -0.53 0.03 0.00 0.36 0.00 0.00 54.97 54.88 2krs s GLU 38 Cb -0.01 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.21 2krs s GLU 38 CO -0.06 -0.15 -0.16 0.08 -0.54 0.00 0.00 175.26 174.43 2krs s VAL 39 N 1.44 1.40 -1.79 3.70 1.01 0.94 -4.73 120.40 122.38 2krs s VAL 39 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2krs s VAL 39 Cb -0.15 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2krs s VAL 39 CO 0.01 0.41 0.00 -0.67 0.00 0.00 0.00 175.10 174.85 2krs n ASP 40 N 3.48 -5.30 0.00 3.32 2.03 -1.26 -0.21 116.55 118.60 2krs n ASP 40 Ca -0.20 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2krs n ASP 40 Cb 0.52 -4.54 0.00 0.00 -0.72 0.00 0.00 41.12 36.38 2krs n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krs n GLY 41 N -0.72 2.04 3.84 0.27 0.00 -1.26 -5.02 105.19 104.34 2krs n GLY 41 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.59 3.62 -0.20 1.61 0.52 0.70 -4.48 118.94 118.13 2krs s TRP 42 Ca 0.00 1.12 -0.13 0.00 0.02 0.00 0.00 56.10 57.11 2krs s TRP 42 Cb 0.00 -2.41 -0.05 0.00 -1.15 0.00 0.00 33.47 29.86 2krs s TRP 42 CO 0.00 0.42 0.25 0.71 0.02 0.00 0.00 176.95 178.35 2krs s TYR 43 N -1.46 3.40 -0.14 -1.98 2.02 -1.18 -0.04 117.35 117.97 2krs s TYR 43 Ca 0.38 0.46 -0.22 0.00 -0.37 0.00 0.00 57.07 57.33 2krs s TYR 43 Cb -0.15 -2.33 -0.03 0.00 -0.40 0.00 0.00 41.96 39.05 2krs s TYR 43 CO 0.19 0.16 0.65 -2.00 -1.57 0.00 0.00 175.55 172.98 2krs s GLU 44 N 0.76 4.31 0.16 -0.62 2.12 0.88 -2.39 118.70 123.92 2krs s GLU 44 Ca 0.13 0.71 0.04 0.00 0.36 0.00 0.00 54.97 56.21 2krs s GLU 44 Cb -0.13 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 2krs s GLU 44 CO 0.04 -0.09 -0.07 0.96 -0.54 0.00 0.00 175.26 175.56 2krs s ILE 45 N 1.37 1.02 -0.17 -3.70 -4.36 -0.15 -1.03 121.20 114.19 2krs s ILE 45 Ca 0.32 -2.03 -0.01 0.00 -0.26 0.00 0.00 60.65 58.67 2krs s ILE 45 Cb -0.16 -1.94 -0.01 0.00 1.25 0.00 0.00 42.46 41.60 2krs s ILE 45 CO 0.13 -0.66 -0.12 -0.60 0.24 0.00 0.00 174.94 173.94 2krs s ARG 46 N -3.80 3.29 -0.11 0.37 3.52 -1.01 -0.91 118.95 120.30 2krs s ARG 46 Ca 0.19 -0.70 -0.24 0.00 -0.13 0.00 0.00 55.73 54.85 2krs s ARG 46 Cb 0.04 -2.75 0.06 0.00 -1.56 0.00 0.00 34.95 30.74 2krs s ARG 46 CO 0.02 -0.02 0.58 0.12 -0.81 0.00 0.00 175.30 175.18 2krs s PHE 47 N 0.95 -0.57 -1.64 5.12 5.36 0.25 -4.19 117.98 123.26 2krs s PHE 47 Ca -0.02 1.15 -0.02 0.00 -0.96 0.00 0.00 56.93 57.08 2krs s PHE 47 Cb -0.15 0.28 0.00 0.00 -0.34 0.00 0.00 43.02 42.81 2krs s PHE 47 CO -0.01 -0.45 0.19 -1.71 -1.46 0.00 0.00 175.22 171.78 2krs n ASN 48 N 1.71 -5.73 -0.71 6.13 5.15 -1.26 -1.12 115.26 119.43 2krs n ASN 48 Ca -0.17 -0.09 -0.09 0.00 -0.60 0.00 0.00 54.58 53.63 2krs n ASN 48 Cb 0.56 -4.73 -0.04 0.00 -0.53 0.00 0.00 39.78 35.04 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 -1.15 1.07 3.11 8.20 0.00 -1.26 -4.99 105.19 110.18 2krs n GLY 49 Ca -0.19 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 2krs n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2krs s LYS 50 N -2.64 0.54 0.48 1.61 -2.85 -0.28 -5.16 119.74 111.44 2krs s LYS 50 Ca 0.00 -0.57 -0.08 0.00 -1.00 0.00 0.00 55.97 54.31 2krs s LYS 50 Cb 0.00 0.22 -0.05 0.00 -2.06 0.00 0.00 37.83 35.94 2krs s LYS 50 CO 0.00 -0.13 0.82 0.08 0.10 0.00 0.00 175.35 176.22 2krs s VAL 51 N -2.00 4.82 0.17 1.79 1.01 -1.26 -0.58 120.40 124.36 2krs s VAL 51 Ca -0.10 0.48 -0.17 0.00 0.00 0.00 0.00 61.98 62.19 2krs s VAL 51 Cb -0.04 -3.82 0.06 0.00 0.00 0.00 0.00 36.38 32.58 2krs s VAL 51 CO -0.01 -0.77 0.84 0.61 0.00 0.00 0.00 175.10 175.76 2krs n GLY 52 N -1.97 0.75 3.15 4.51 0.00 -0.09 -4.88 105.19 106.65 2krs n GLY 52 Ca 0.02 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.81 0.99 0.03 1.61 1.51 0.13 -0.97 117.35 117.84 2krs s TYR 53 Ca 0.19 -0.58 -0.00 0.00 -1.01 0.00 0.00 57.07 55.66 2krs s TYR 53 Cb -0.02 -0.56 -0.02 0.00 -0.11 0.00 0.00 41.96 41.24 2krs s TYR 53 CO 0.05 -0.01 -0.03 0.00 -1.11 0.00 0.00 175.55 174.44 2krs s ALA 54 N -1.97 0.25 0.40 3.71 0.00 -1.01 -1.68 121.76 121.47 2krs s ALA 54 Ca 0.00 -0.75 -0.26 0.00 0.00 0.00 0.00 51.96 50.95 2krs s ALA 54 Cb -0.06 0.17 -0.09 0.00 0.00 0.00 0.00 23.12 23.14 2krs s ALA 54 CO 0.00 -0.20 1.33 0.45 0.00 0.00 0.00 175.76 177.34 2krs s SER 55 N -1.81 6.29 0.31 0.00 0.15 -1.26 -3.11 113.70 114.27 2krs s SER 55 Ca -0.10 2.71 0.05 0.00 0.70 0.00 0.00 55.95 59.31 2krs s SER 55 Cb -0.06 -2.64 0.51 0.00 -1.71 0.00 0.00 66.02 62.11 2krs s SER 55 CO -0.03 -0.87 1.77 0.07 1.20 0.00 0.00 173.24 175.38 2krs h LYS 56 N 2.70 0.39 -0.63 5.44 2.10 -1.86 -2.42 116.57 122.27 2krs h LYS 56 Ca -0.50 -0.14 -0.01 0.00 -2.00 0.00 0.00 60.65 58.00 2krs h LYS 56 Cb 1.25 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 32.52 2krs h LYS 56 CO 0.63 0.61 0.34 1.03 -2.00 0.00 0.00 179.45 180.06 2krs h SER 57 N 0.35 0.80 -0.17 7.07 0.87 -1.95 -2.32 113.55 118.20 2krs h SER 57 Ca 0.05 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2krs h SER 57 Cb 0.61 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2krs h SER 57 CO 0.04 0.67 0.00 -1.22 -0.53 0.00 0.00 176.83 175.79 2krs n TYR 58 N -4.54 0.21 -4.98 2.24 4.02 -1.16 -4.81 117.16 108.13 2krs n TYR 58 Ca 0.05 -0.10 -0.32 0.00 -0.01 0.00 0.00 57.90 57.51 2krs n TYR 58 Cb 0.09 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.25 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 -1.79 2.11 -0.09 -0.72 -1.09 -0.87 0.07 121.20 118.82 2krs s ILE 59 Ca 0.33 -0.99 0.03 0.00 -2.23 0.00 0.00 60.65 57.80 2krs s ILE 59 Cb 0.18 -1.82 0.01 0.00 -1.58 0.00 0.00 42.46 39.24 2krs s ILE 59 CO 0.27 0.55 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.46 2krs s THR 60 N 0.53 1.67 0.04 2.92 2.01 -1.07 -4.78 115.64 116.97 2krs s THR 60 Ca -0.14 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 2krs s THR 60 Cb -0.17 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 2krs s THR 60 CO 0.05 0.47 0.97 -0.63 -0.69 0.00 0.00 174.62 174.79 2krs s ILE 61 N 0.50 4.73 0.20 1.82 1.01 -1.26 -2.50 121.20 125.71 2krs s ILE 61 Ca -0.17 2.05 -0.30 0.00 0.00 0.00 0.00 60.65 62.24 2krs s ILE 61 Cb -0.17 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 37.90 2krs s ILE 61 CO 0.06 0.22 1.32 -0.69 0.00 0.00 0.00 174.94 175.86 2krs s VAL 62 N 0.62 3.16 -0.98 2.92 1.01 -1.25 -4.80 120.40 121.09 2krs s VAL 62 Ca 0.50 0.96 -0.26 0.00 0.00 0.00 0.00 61.98 63.17 2krs s VAL 62 Cb -0.22 -3.61 -0.24 0.00 0.00 0.00 0.00 36.38 32.31 2krs s VAL 62 CO 0.29 0.14 2.57 -0.46 0.00 0.00 0.00 175.10 177.64 2krs n ASN 63 N 2.61 -0.02 0.00 3.32 0.23 -1.26 -4.84 115.26 115.30 2krs n ASN 63 Ca 0.06 -0.01 0.00 0.00 -0.53 0.00 0.00 54.58 54.10 2krs n ASN 63 Cb 0.43 -0.86 0.00 0.00 -2.08 0.00 0.00 39.78 37.26 2krs n ASN 63 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2krs n GLU 64 N 7.87 0.00 -3.09 -3.83 2.13 -1.26 -4.70 120.64 117.75 2krs n GLU 64 Ca 0.65 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 58.04 2krs n GLU 64 Cb 0.07 -0.12 -0.06 0.00 0.27 0.00 0.00 31.44 31.60 2krs n GLU 64 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2krs s GLY 65 N 0.00 1.70 0.00 8.31 0.00 -1.26 -4.88 107.32 111.19 2krs s GLY 65 Ca 0.00 -1.64 0.27 0.00 0.00 0.00 0.00 44.72 43.35 2krs s GLY 65 CO 0.00 1.59 1.63 -1.14 0.00 0.00 0.00 173.10 175.18 2krs n SER 66 N 6.43 0.59 -0.44 1.64 3.41 -1.26 -3.42 113.62 120.57 2krs n SER 66 Ca -0.05 -0.44 0.11 0.00 -0.26 0.00 0.00 58.87 58.24 2krs n SER 66 Cb 0.46 0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.52 2krs n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2krs n LEU 67 N -1.11 1.83 -4.77 1.04 -0.00 -1.26 -4.96 117.00 107.77 2krs n LEU 67 Ca 0.10 -0.66 -0.36 0.00 -0.00 0.00 0.00 56.01 55.09 2krs n LEU 67 Cb 0.32 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 2krs n LEU 67 CO 0.28 0.34 0.81 -1.61 -0.00 0.00 0.00 177.39 177.22 2krs s GLU 68 N -2.49 3.45 0.00 1.47 2.02 -1.22 -4.99 118.70 116.93 2krs s GLU 68 Ca 0.19 1.70 0.00 0.00 0.02 0.00 0.00 54.97 56.88 2krs s GLU 68 Cb 0.18 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.28 2krs s GLU 68 CO 0.57 -0.79 0.00 1.58 0.02 0.00 0.00 175.26 176.64 2krs n HIS 69 N -1.05 0.00 0.00 1.61 -0.00 -1.26 -5.09 115.22 109.43 2krs n HIS 69 Ca 0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.28 2krs n HIS 69 Cb 0.50 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 2krs n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2krs n HIS 70 N 0.00 0.00 -3.27 1.57 -0.00 -1.26 -4.87 115.22 107.38 2krs n HIS 70 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.49 2krs n HIS 70 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.01 2krs n HIS 70 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2krs n HIS 71 N 7.73 -1.58 -3.31 1.57 -0.00 -1.26 -4.89 115.22 113.48 2krs n HIS 71 Ca 0.00 0.66 -0.39 0.00 -0.00 0.00 0.00 57.72 57.99 2krs n HIS 71 Cb 0.00 -1.39 -0.07 0.00 -0.00 0.00 0.00 29.99 28.53 2krs n HIS 71 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2krs s HIS 72 N -1.22 3.33 -0.19 4.41 2.46 -1.26 -5.06 115.29 117.77 2krs s HIS 72 Ca 0.23 0.65 -0.01 0.00 0.47 0.00 0.00 55.06 56.40 2krs s HIS 72 Cb -0.02 -2.62 0.01 0.00 -0.13 0.00 0.00 32.58 29.82 2krs s HIS 72 CO 0.52 -0.12 -0.15 -1.58 -2.47 0.00 0.00 174.74 170.93 2krs s HIS 73 N 1.72 2.84 -2.08 3.88 5.04 -1.26 -5.33 115.29 120.10 2krs s HIS 73 Ca 0.21 -1.43 0.31 0.00 -1.54 0.00 0.00 55.06 52.61 2krs s HIS 73 Cb -0.15 -1.98 1.78 0.00 0.04 0.00 0.00 32.58 32.26 2krs s HIS 73 CO 0.09 -0.73 2.15 -2.39 -2.34 0.00 0.00 174.74 171.53