#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkr s GLU 2 N 0.00 2.31 -0.40 0.00 0.41 -1.26 -5.06 118.70 114.70 1rkr s GLU 2 Ca 0.00 -1.74 0.06 0.00 -0.41 0.00 0.00 54.97 52.88 1rkr s GLU 2 Cb 0.00 -2.09 0.43 0.00 -1.78 0.00 0.00 34.13 30.69 1rkr s GLU 2 CO 0.00 -0.09 1.15 0.00 -0.49 0.00 0.00 175.26 175.83 1rkr s SER 4 N -3.53 -0.26 0.03 0.00 0.01 -1.26 -1.08 113.70 107.62 1rkr s SER 4 Ca 0.49 0.06 -0.00 0.00 1.31 0.00 0.00 55.95 57.80 1rkr s SER 4 Cb 0.40 0.38 -0.03 0.00 0.21 0.00 0.00 66.02 66.99 1rkr s SER 4 CO -0.12 -0.58 -0.03 0.54 0.41 0.00 0.00 173.24 173.47 1rkr s VAL 5 N -1.99 0.14 -0.09 3.43 0.11 -0.22 -4.95 120.40 116.84 1rkr s VAL 5 Ca -0.08 -1.18 0.02 0.00 -2.93 0.00 0.00 61.98 57.80 1rkr s VAL 5 Cb -0.02 -0.64 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 1rkr s VAL 5 CO 0.01 -0.65 -0.13 -1.81 -3.33 0.00 0.00 175.10 169.19 1rkr s ASP 6 N -1.90 4.07 0.00 3.54 1.11 -1.26 -0.60 116.67 121.63 1rkr s ASP 6 Ca -0.09 -0.25 0.00 0.00 0.18 0.00 0.00 52.55 52.39 1rkr s ASP 6 Cb -0.05 -1.24 -0.00 0.00 1.07 0.00 0.00 42.92 42.70 1rkr s ASP 6 CO -0.04 0.26 -0.01 -0.51 1.18 0.00 0.00 175.17 176.05 1rkr s ILE 7 N -0.20 0.03 -0.08 0.77 2.07 0.02 -4.92 121.20 118.89 1rkr s ILE 7 Ca 0.01 -0.22 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 1rkr s ILE 7 Cb -0.13 -0.07 -0.01 0.00 0.13 0.00 0.00 42.46 42.37 1rkr s ILE 7 CO 0.03 -0.12 -0.19 0.00 -1.91 0.00 0.00 174.94 172.76 1rkr s ALA 8 N -0.34 2.42 -0.17 1.50 0.00 -1.26 -0.70 121.76 123.21 1rkr s ALA 8 Ca -0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 1rkr s ALA 8 Cb -0.02 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1rkr s ALA 8 CO -0.00 0.39 -0.02 0.20 0.00 0.00 0.00 175.76 176.33 1rkr s GLY 9 N -0.11 1.74 0.13 0.00 0.00 -0.51 -1.91 107.32 106.65 1rkr s GLY 9 Ca -0.03 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.85 1rkr s GLY 9 CO 0.04 0.01 0.11 1.16 0.00 0.00 0.00 173.10 174.41 1rkr n ASN 10 N 3.68 1.29 0.00 1.64 0.23 -0.71 -3.94 115.26 117.45 1rkr n ASN 10 Ca -0.17 -1.43 0.14 0.00 -0.53 0.00 0.00 54.58 52.59 1rkr n ASN 10 Cb 0.52 -0.02 0.80 0.00 -2.08 0.00 0.00 39.78 39.00 1rkr n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1rkr n ASP 11 N -2.07 0.00 -1.10 0.53 8.00 -1.26 -2.96 116.55 117.69 1rkr n ASP 11 Ca -0.00 -0.58 0.11 0.00 0.71 0.00 0.00 54.79 55.03 1rkr n ASP 11 Cb 0.14 -0.12 0.25 0.00 -0.02 0.00 0.00 41.12 41.38 1rkr n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rkr n GLY 12 N 0.93 1.62 2.65 0.44 0.00 -1.26 -4.94 105.19 104.64 1rkr n GLY 12 Ca 0.18 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1rkr n GLY 12 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1rkr n MET 13 N 1.34 -4.53 -4.54 1.61 1.56 -1.16 -5.05 117.12 106.36 1rkr n MET 13 Ca 0.20 0.52 -0.22 0.00 -0.27 0.00 0.00 57.70 57.93 1rkr n MET 13 Cb 0.56 -4.61 -0.14 0.00 2.15 0.00 0.00 33.22 31.19 1rkr n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1rkr s GLN 14 N -5.30 1.09 0.35 2.12 -1.52 -1.26 -4.30 119.66 110.85 1rkr s GLN 14 Ca 0.17 -0.64 -0.04 0.00 -1.95 0.00 0.00 55.36 52.90 1rkr s GLN 14 Cb -0.07 -1.08 -0.04 0.00 -0.22 0.00 0.00 33.01 31.59 1rkr s GLN 14 CO 0.45 0.28 0.62 -0.06 -0.25 0.00 0.00 175.29 176.34 1rkr s PHE 15 N -0.57 3.50 -0.18 0.91 0.08 -1.26 -1.74 117.98 118.71 1rkr s PHE 15 Ca 0.04 0.64 0.18 0.00 0.12 0.00 0.00 56.93 57.91 1rkr s PHE 15 Cb -0.07 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 1rkr s PHE 15 CO 0.00 0.05 1.06 0.38 -0.10 0.00 0.00 175.22 176.61 1rkr h ASP 16 N 1.12 0.00 -3.20 1.36 2.03 -1.78 -3.46 116.42 112.49 1rkr h ASP 16 Ca -0.48 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.15 1rkr h ASP 16 Cb 1.20 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.58 1rkr h ASP 16 CO 0.64 0.37 -0.60 -0.54 -1.03 0.00 0.00 179.24 178.08 1rkr s LYS 17 N -3.06 3.00 0.00 4.15 3.01 -1.26 -4.98 119.74 120.60 1rkr s LYS 17 Ca -0.00 -0.46 0.11 0.00 -1.01 0.00 0.00 55.97 54.61 1rkr s LYS 17 Cb 0.08 -2.82 0.05 0.00 -1.01 0.00 0.00 37.83 34.14 1rkr s LYS 17 CO 0.78 0.67 0.78 1.63 0.51 0.00 0.00 175.35 179.73 1rkr n LYS 18 N 1.60 1.18 -3.66 1.68 5.02 -1.26 -4.87 118.16 117.85 1rkr n LYS 18 Ca -0.16 -0.96 -0.07 0.00 -2.02 0.00 0.00 58.31 55.10 1rkr n LYS 18 Cb 0.53 -1.18 -0.08 0.00 -0.02 0.00 0.00 35.03 34.29 1rkr n LYS 18 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1rkr s GLU 19 N -1.15 0.58 0.09 1.97 2.12 -1.26 -1.99 118.70 119.06 1rkr s GLU 19 Ca 0.12 1.14 0.06 0.00 0.36 0.00 0.00 54.97 56.65 1rkr s GLU 19 Cb 0.09 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 1rkr s GLU 19 CO 0.20 -0.17 -0.07 0.42 -0.54 0.00 0.00 175.26 175.10 1rkr s ILE 20 N 1.85 3.55 -0.18 -3.70 1.01 -0.19 -4.98 121.20 118.56 1rkr s ILE 20 Ca -0.09 -1.13 -0.02 0.00 0.00 0.00 0.00 60.65 59.41 1rkr s ILE 20 Cb -0.07 -2.65 0.05 0.00 0.01 0.00 0.00 42.46 39.80 1rkr s ILE 20 CO -0.18 0.16 0.00 0.28 0.00 0.00 0.00 174.94 175.20 1rkr s THR 21 N -1.20 0.76 -0.39 2.92 -1.32 -1.26 -2.20 115.64 112.95 1rkr s THR 21 Ca 0.22 -0.58 -0.21 0.00 -1.21 0.00 0.00 61.69 59.91 1rkr s THR 21 Cb -0.11 -1.13 0.01 0.00 -1.51 0.00 0.00 72.50 69.76 1rkr s THR 21 CO 0.14 -0.07 0.64 -0.69 -2.21 0.00 0.00 174.62 172.43 1rkr s VAL 22 N 1.76 4.86 0.20 5.08 1.01 0.79 -4.89 120.40 129.21 1rkr s VAL 22 Ca -0.01 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1rkr s VAL 22 Cb -0.16 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 1rkr s VAL 22 CO -0.07 -0.42 1.29 -0.55 0.00 0.00 0.00 175.10 175.34 1rkr s SER 23 N 1.88 6.93 0.55 3.32 0.15 -1.26 -0.04 113.70 125.22 1rkr s SER 23 Ca 0.24 2.37 0.36 0.00 0.70 0.00 0.00 55.95 59.62 1rkr s SER 23 Cb -0.14 -2.61 1.68 0.00 -1.71 0.00 0.00 66.02 63.24 1rkr s SER 23 CO 0.17 -0.50 2.07 0.11 1.20 0.00 0.00 173.24 176.29 1rkr h LYS 24 N 5.30 0.00 0.00 5.44 1.57 -1.86 -1.76 116.57 125.26 1rkr h LYS 24 Ca -0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 1rkr h LYS 24 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1rkr h LYS 24 CO 0.76 0.00 -0.07 0.77 -0.57 0.00 0.00 179.45 180.34 1rkr h SER 25 N 0.00 0.00 -3.73 0.86 0.02 -1.91 -3.43 113.55 105.36 1rkr h SER 25 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1rkr h SER 25 Cb 0.29 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.86 1rkr h SER 25 CO 0.00 0.07 0.54 0.00 -1.14 0.00 0.00 176.83 176.31 1rkr n LYS 27 N 1.47 1.02 -4.43 0.00 5.02 -1.26 -4.75 118.16 115.22 1rkr n LYS 27 Ca 0.01 0.02 -0.22 0.00 -2.02 0.00 0.00 58.31 56.09 1rkr n LYS 27 Cb 0.44 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.90 1rkr n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1rkr s GLN 28 N -2.43 1.57 -0.08 1.97 -0.21 -1.26 -1.17 119.66 118.04 1rkr s GLN 28 Ca -0.13 -1.73 -0.04 0.00 0.02 0.00 0.00 55.36 53.48 1rkr s GLN 28 Cb 0.06 -1.49 0.04 0.00 1.00 0.00 0.00 33.01 32.62 1rkr s GLN 28 CO 0.68 0.23 0.19 0.12 -2.12 0.00 0.00 175.29 174.40 1rkr s PHE 29 N -2.72 -0.24 -0.12 0.91 5.36 -0.36 -4.79 117.98 116.02 1rkr s PHE 29 Ca 0.28 0.62 -0.03 0.00 -0.96 0.00 0.00 56.93 56.84 1rkr s PHE 29 Cb -0.02 -0.02 -0.03 0.00 -0.34 0.00 0.00 43.02 42.61 1rkr s PHE 29 CO 0.12 -0.19 -0.00 0.99 -1.46 0.00 0.00 175.22 174.68 1rkr s THR 30 N 1.18 4.26 -0.18 0.12 2.01 -0.24 -1.54 115.64 121.25 1rkr s THR 30 Ca -0.09 -0.25 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 1rkr s THR 30 Cb -0.11 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.58 1rkr s THR 30 CO -0.07 0.55 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.58 1rkr s VAL 31 N -0.34 2.65 -0.36 3.82 1.01 -0.23 -1.05 120.40 125.90 1rkr s VAL 31 Ca 0.07 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1rkr s VAL 31 Cb -0.12 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.16 1rkr s VAL 31 CO 0.02 0.50 0.14 0.20 0.00 0.00 0.00 175.10 175.96 1rkr s ASN 32 N 1.09 5.41 -0.12 3.32 0.01 0.23 -1.60 114.94 123.29 1rkr s ASN 32 Ca -0.00 -1.20 -0.18 0.00 -0.71 0.00 0.00 52.86 50.77 1rkr s ASN 32 Cb -0.14 -1.90 -0.04 0.00 0.41 0.00 0.00 41.25 39.57 1rkr s ASN 32 CO -0.04 -0.37 0.48 -0.22 -1.51 0.00 0.00 177.10 175.44 1rkr s LEU 33 N 1.42 4.28 0.09 0.60 2.96 0.67 -0.80 118.68 127.89 1rkr s LEU 33 Ca -0.00 0.82 0.08 0.00 -0.22 0.00 0.00 54.13 54.81 1rkr s LEU 33 Cb -0.20 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 1rkr s LEU 33 CO 0.03 0.00 -0.21 -1.59 -1.32 0.00 0.00 176.35 173.27 1rkr s LYS 34 N 0.60 1.16 -0.39 1.98 0.00 0.12 -0.64 119.74 122.58 1rkr s LYS 34 Ca 0.26 -1.11 -0.01 0.00 0.00 0.00 0.00 55.97 55.10 1rkr s LYS 34 Cb -0.15 -1.40 0.10 0.00 0.00 0.00 0.00 37.83 36.39 1rkr s LYS 34 CO 0.10 0.33 0.16 -1.58 0.00 0.00 0.00 175.35 174.37 1rkr s HIS 35 N -1.09 3.61 1.16 1.78 2.46 -0.26 -1.42 115.29 121.52 1rkr s HIS 35 Ca 0.06 -2.50 -0.18 0.00 0.47 0.00 0.00 55.06 52.92 1rkr s HIS 35 Cb -0.10 -3.10 0.27 0.00 -0.13 0.00 0.00 32.58 29.52 1rkr s HIS 35 CO 0.04 -0.96 1.10 -1.25 -2.47 0.00 0.00 174.74 171.20 1rkr s PRO 36 N 1.10 -0.89 0.00 2.88 0.04 -1.25 -1.53 135.00 135.35 1rkr s PRO 36 Ca 0.08 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1rkr s PRO 36 Cb -0.22 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1rkr s PRO 36 CO -0.05 -3.52 0.00 0.41 0.04 0.00 0.00 177.00 173.89 1rkr n GLY 37 N -0.93 0.01 0.35 0.56 0.00 -1.26 -4.46 105.19 99.46 1rkr n GLY 37 Ca 0.11 -1.76 0.06 0.00 0.00 0.00 0.00 46.02 44.43 1rkr n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rkr n LYS 38 N 0.15 1.32 -3.06 1.61 2.85 -1.26 -2.93 118.16 116.84 1rkr n LYS 38 Ca 0.00 -0.90 -0.28 0.00 -1.05 0.00 0.00 58.31 56.08 1rkr n LYS 38 Cb 0.00 -1.16 -0.02 0.00 -0.65 0.00 0.00 35.03 33.20 1rkr n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1rkr s LEU 39 N -1.32 3.90 0.52 -5.58 1.43 -1.26 -4.77 118.68 111.59 1rkr s LEU 39 Ca 0.11 0.82 -0.20 0.00 -1.03 0.00 0.00 54.13 53.83 1rkr s LEU 39 Cb 0.09 -3.70 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 1rkr s LEU 39 CO 0.21 -0.35 1.13 0.00 0.23 0.00 0.00 176.35 177.57 1rkr s ALA 40 N -2.34 2.77 0.36 4.21 0.00 -1.26 -0.58 121.76 124.92 1rkr s ALA 40 Ca 0.46 0.84 0.12 0.00 0.00 0.00 0.00 51.96 53.38 1rkr s ALA 40 Cb -0.10 -3.36 0.91 0.00 0.00 0.00 0.00 23.12 20.57 1rkr s ALA 40 CO 0.35 -0.71 1.82 -0.22 0.00 0.00 0.00 175.76 176.99 1rkr h LYS 41 N 1.43 0.57 0.00 0.00 3.64 -1.85 0.27 116.57 120.63 1rkr h LYS 41 Ca -0.50 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 58.73 1rkr h LYS 41 Cb 1.26 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1rkr h LYS 41 CO 0.58 0.38 -0.56 -0.91 -2.27 0.00 0.00 179.45 176.67 1rkr h ASN 42 N 0.59 0.00 0.00 4.20 2.35 -1.94 -2.42 115.58 118.36 1rkr h ASN 42 Ca 0.52 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 56.04 1rkr h ASN 42 Cb 1.03 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.35 1rkr h ASN 42 CO -0.27 0.56 -2.01 1.33 -1.65 0.00 0.00 177.43 175.39 1rkr n VAL 43 N -3.83 0.86 -2.71 2.81 0.24 -0.02 -4.73 118.33 110.96 1rkr n VAL 43 Ca -0.01 -0.61 -0.06 0.00 -2.04 0.00 0.00 64.34 61.62 1rkr n VAL 43 Cb 0.57 -0.45 0.07 0.00 -1.47 0.00 0.00 33.84 32.56 1rkr n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1rkr n MET 44 N -2.48 1.30 -1.52 7.34 0.00 0.76 -4.99 117.12 117.53 1rkr n MET 44 Ca -0.21 -2.71 -0.31 0.00 -0.00 0.00 0.00 57.70 54.46 1rkr n MET 44 Cb 0.90 -0.82 0.06 0.00 0.00 0.00 0.00 33.22 33.36 1rkr n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1rkr s GLY 45 N -2.56 1.78 -0.02 -5.12 0.00 -0.91 -4.74 107.32 95.75 1rkr s GLY 45 Ca 0.24 0.25 -0.02 0.00 0.00 0.00 0.00 44.72 45.18 1rkr s GLY 45 CO -0.03 0.57 0.05 0.30 0.00 0.00 0.00 173.10 174.00 1rkr s HIS 46 N -2.84 -0.02 0.41 1.90 3.76 -0.73 -4.80 115.29 112.96 1rkr s HIS 46 Ca 0.61 0.07 0.04 0.00 -0.15 0.00 0.00 55.06 55.62 1rkr s HIS 46 Cb -0.16 -0.00 -0.03 0.00 1.11 0.00 0.00 32.58 33.50 1rkr s HIS 46 CO 0.52 -0.06 0.13 0.54 -0.85 0.00 0.00 174.74 175.02 1rkr s ASN 47 N -0.17 2.79 -0.09 1.40 2.20 -1.26 -1.05 114.94 118.76 1rkr s ASN 47 Ca -0.02 -1.67 0.01 0.00 -0.94 0.00 0.00 52.86 50.24 1rkr s ASN 47 Cb -0.02 0.49 0.02 0.00 -2.00 0.00 0.00 41.25 39.74 1rkr s ASN 47 CO 0.00 -0.92 -0.08 0.86 -2.94 0.00 0.00 177.10 174.02 1rkr s TRP 48 N -3.21 1.35 -0.03 1.54 -0.00 -1.26 -4.18 118.94 113.15 1rkr s TRP 48 Ca 0.24 -0.59 0.05 0.00 -0.00 0.00 0.00 56.10 55.80 1rkr s TRP 48 Cb 0.03 -1.10 -0.01 0.00 -0.00 0.00 0.00 33.47 32.39 1rkr s TRP 48 CO 0.14 -0.39 -0.19 0.08 -0.00 0.00 0.00 176.95 176.59 1rkr s VAL 49 N 1.31 1.52 -0.31 5.86 1.01 -0.27 -0.98 120.40 128.54 1rkr s VAL 49 Ca -0.03 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1rkr s VAL 49 Cb -0.14 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1rkr s VAL 49 CO -0.03 0.43 0.11 -0.22 0.00 0.00 0.00 175.10 175.39 1rkr s LEU 50 N -0.16 4.04 0.27 3.92 0.20 -0.09 -1.92 118.68 124.94 1rkr s LEU 50 Ca 0.00 -0.72 0.03 0.00 0.69 0.00 0.00 54.13 54.13 1rkr s LEU 50 Cb -0.10 -1.93 -0.06 0.00 -0.43 0.00 0.00 46.19 43.68 1rkr s LEU 50 CO 0.01 -0.22 0.05 0.42 -0.29 0.00 0.00 176.35 176.32 1rkr s THR 51 N 1.53 0.90 0.32 3.68 -4.23 -0.13 -1.07 115.64 116.63 1rkr s THR 51 Ca 0.03 -2.01 -0.29 0.00 -1.18 0.00 0.00 61.69 58.24 1rkr s THR 51 Cb -0.18 -2.59 -0.10 0.00 1.34 0.00 0.00 72.50 70.97 1rkr s THR 51 CO 0.04 -0.10 1.24 -0.54 -0.54 0.00 0.00 174.62 174.72 1rkr s LYS 52 N -3.94 4.44 0.31 3.99 1.02 -1.26 -0.63 119.74 123.67 1rkr s LYS 52 Ca 0.34 2.09 0.03 0.00 0.02 0.00 0.00 55.97 58.45 1rkr s LYS 52 Cb 0.07 -3.11 0.78 0.00 -0.52 0.00 0.00 37.83 35.06 1rkr s LYS 52 CO 0.13 -0.07 1.59 0.37 -0.92 0.00 0.00 175.35 176.45 1rkr h GLN 53 N 3.52 0.05 -0.35 1.68 5.75 -1.69 0.15 115.11 124.21 1rkr h GLN 53 Ca -0.48 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 57.91 1rkr h GLN 53 Cb 1.22 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 1rkr h GLN 53 CO 0.66 0.03 -0.22 0.00 -2.65 0.00 0.00 178.83 176.65 1rkr h ALA 54 N 1.93 0.96 0.00 3.38 0.00 -1.91 -2.98 119.26 120.64 1rkr h ALA 54 Ca 0.60 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1rkr h ALA 54 Cb 1.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1rkr h ALA 54 CO -0.85 0.61 0.00 -0.25 0.00 0.00 0.00 179.25 178.76 1rkr n ASP 55 N -4.12 0.00 0.21 0.00 8.00 0.50 -4.24 116.55 116.90 1rkr n ASP 55 Ca 0.00 -0.38 -0.15 0.00 0.71 0.00 0.00 54.79 54.97 1rkr n ASP 55 Cb 0.42 -0.18 -0.07 0.00 -0.02 0.00 0.00 41.12 41.26 1rkr n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1rkr h MET 56 N 0.00 -0.57 -0.52 -1.24 4.05 -1.37 -1.10 114.93 114.18 1rkr h MET 56 Ca 0.00 0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.40 1rkr h MET 56 Cb 0.16 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1rkr h MET 56 CO 0.00 -0.38 0.07 0.37 0.23 0.00 0.00 176.91 177.20 1rkr h GLN 57 N -0.60 0.83 -0.68 0.39 5.75 -1.83 0.59 115.11 119.57 1rkr h GLN 57 Ca -0.03 -0.20 -0.07 0.00 -0.15 0.00 0.00 58.65 58.21 1rkr h GLN 57 Cb 0.51 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 1rkr h GLN 57 CO 0.00 0.79 0.17 0.78 -2.65 0.00 0.00 178.83 177.92 1rkr h GLY 58 N 0.98 1.17 0.89 2.39 0.00 -1.78 0.26 103.07 106.97 1rkr h GLY 58 Ca 0.16 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 1rkr h GLY 58 CO 0.01 0.68 -0.23 0.00 0.00 0.00 0.00 176.54 177.00 1rkr h ALA 59 N 1.08 0.35 0.13 3.60 0.00 -0.71 -2.72 119.26 120.98 1rkr h ALA 59 Ca 0.21 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1rkr h ALA 59 Cb 0.36 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1rkr h ALA 59 CO 0.00 0.31 -0.30 0.28 0.00 0.00 0.00 179.25 179.54 1rkr h VAL 60 N 0.28 0.36 -0.16 0.00 2.07 -0.44 -0.17 116.25 118.18 1rkr h VAL 60 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1rkr h VAL 60 Cb 0.78 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1rkr h VAL 60 CO 0.06 0.00 0.09 0.78 0.02 0.00 0.00 177.57 178.52 1rkr h ASN 61 N -0.52 0.20 0.50 0.57 -0.26 -1.01 0.65 115.58 115.71 1rkr h ASN 61 Ca 0.03 -0.07 -0.11 0.00 -0.56 0.00 0.00 56.30 55.59 1rkr h ASN 61 Cb 0.54 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.74 1rkr h ASN 61 CO -0.17 0.21 -0.52 0.44 -1.06 0.00 0.00 177.43 176.33 1rkr h ASP 62 N 0.17 0.02 -0.73 5.81 3.32 -1.45 -2.73 116.42 120.82 1rkr h ASP 62 Ca 0.06 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1rkr h ASP 62 Cb 0.05 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1rkr h ASP 62 CO -0.01 0.53 0.32 1.23 -1.72 0.00 0.00 179.24 179.59 1rkr h GLY 63 N 1.54 1.16 0.58 2.75 0.00 -0.51 -1.71 103.07 106.87 1rkr h GLY 63 Ca -0.00 -0.61 0.11 0.00 0.00 0.00 0.00 47.33 46.83 1rkr h GLY 63 CO 0.07 0.57 0.62 1.98 0.00 0.00 0.00 176.54 179.78 1rkr h MET 64 N 1.04 0.96 -0.01 4.80 -1.53 -0.60 -0.20 114.93 119.40 1rkr h MET 64 Ca 0.25 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.45 1rkr h MET 64 Cb 0.17 -0.22 0.00 0.00 -0.55 0.00 0.00 31.60 31.00 1rkr h MET 64 CO -0.03 0.64 -0.11 0.00 0.14 0.00 0.00 176.91 177.55 1rkr n ALA 65 N -2.37 2.79 0.09 0.39 0.00 -0.84 -3.89 120.51 116.69 1rkr n ALA 65 Ca 0.17 -0.33 0.11 0.00 0.00 0.00 0.00 53.44 53.40 1rkr n ALA 65 Cb 0.32 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1rkr n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rkr n ALA 66 N -0.68 2.51 0.00 0.00 0.00 -0.10 -5.07 120.51 117.18 1rkr n ALA 66 Ca 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1rkr n ALA 66 Cb 0.29 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1rkr n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rkr n GLY 67 N 1.20 -1.99 0.32 0.00 0.00 -1.18 -4.06 105.19 99.47 1rkr n GLY 67 Ca -0.01 -1.51 0.06 0.00 0.00 0.00 0.00 46.02 44.56 1rkr n GLY 67 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rkr h LEU 68 N 0.00 0.70 -0.71 0.99 3.38 -1.92 0.17 115.31 117.91 1rkr h LEU 68 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rkr h LEU 68 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1rkr h LEU 68 CO 0.00 0.36 0.00 0.47 0.09 0.00 0.00 178.44 179.36 1rkr n ASP 69 N -4.75 0.52 -0.80 -0.43 8.00 -1.26 -0.51 116.55 117.32 1rkr n ASP 69 Ca 0.16 0.65 0.07 0.00 0.71 0.00 0.00 54.79 56.39 1rkr n ASP 69 Cb 0.36 -0.75 0.17 0.00 -0.02 0.00 0.00 41.12 40.87 1rkr n ASP 69 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1rkr n ASN 70 N -2.10 3.02 -2.60 -2.24 3.02 -0.11 -4.96 115.26 109.28 1rkr n ASN 70 Ca 0.02 -1.92 -0.20 0.00 -0.03 0.00 0.00 54.58 52.45 1rkr n ASN 70 Cb 0.17 -0.24 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1rkr n ASN 70 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rkr n ASN 71 N 0.85 -5.57 -3.73 6.41 3.02 0.33 -2.71 115.26 113.86 1rkr n ASN 71 Ca 0.14 -0.22 -0.28 0.00 -0.03 0.00 0.00 54.58 54.18 1rkr n ASN 71 Cb 0.46 -4.43 0.02 0.00 -0.61 0.00 0.00 39.78 35.22 1rkr n ASN 71 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1rkr n TYR 72 N -4.33 -2.11 -3.77 3.10 4.01 -0.27 -4.64 117.16 109.16 1rkr n TYR 72 Ca -0.12 0.76 -0.14 0.00 -0.16 0.00 0.00 57.90 58.24 1rkr n TYR 72 Cb 0.61 -3.70 -0.15 0.00 -0.31 0.00 0.00 39.34 35.79 1rkr n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1rkr s VAL 73 N -3.20 -0.05 0.29 -0.72 1.01 -1.10 -4.31 120.40 112.33 1rkr s VAL 73 Ca 0.58 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 1rkr s VAL 73 Cb -0.30 -0.15 -0.11 0.00 0.00 0.00 0.00 36.38 35.83 1rkr s VAL 73 CO 0.72 0.08 1.49 -0.75 0.00 0.00 0.00 175.10 176.64 1rkr s LYS 74 N 1.05 4.20 0.09 2.72 2.20 -1.26 -4.83 119.74 123.91 1rkr s LYS 74 Ca -0.08 2.44 -0.31 0.00 -0.36 0.00 0.00 55.97 57.66 1rkr s LYS 74 Cb -0.12 -3.05 -0.07 0.00 -1.51 0.00 0.00 37.83 33.09 1rkr s LYS 74 CO -0.04 -0.50 1.29 0.21 -0.36 0.00 0.00 175.35 175.95 1rkr s LYS 75 N -0.83 4.38 -1.34 4.03 2.20 -1.26 -1.99 119.74 124.94 1rkr s LYS 75 Ca 0.59 1.92 -0.05 0.00 -0.36 0.00 0.00 55.97 58.07 1rkr s LYS 75 Cb -0.45 -3.29 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1rkr s LYS 75 CO 0.49 -0.33 0.93 -0.25 -0.36 0.00 0.00 175.35 175.82 1rkr n ASP 76 N 3.86 -3.15 -4.61 1.43 8.00 -1.26 -4.91 116.55 115.91 1rkr n ASP 76 Ca 0.10 -0.71 -0.43 0.00 0.71 0.00 0.00 54.79 54.46 1rkr n ASP 76 Cb 0.44 -4.48 -0.02 0.00 -0.02 0.00 0.00 41.12 37.04 1rkr n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rkr s ASP 77 N -3.94 6.48 0.62 -2.24 -1.08 -0.84 -4.89 116.67 110.78 1rkr s ASP 77 Ca 0.25 1.01 0.35 0.00 -0.52 0.00 0.00 52.55 53.65 1rkr s ASP 77 Cb -0.12 -2.54 2.05 0.00 -1.46 0.00 0.00 42.92 40.85 1rkr s ASP 77 CO 0.78 -1.28 2.29 0.00 0.52 0.00 0.00 175.17 177.47 1rkr h ALA 78 N 10.12 1.34 -0.00 3.66 0.00 -1.91 -2.48 119.26 130.00 1rkr h ALA 78 Ca -0.27 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1rkr h ALA 78 Cb 1.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1rkr h ALA 78 CO 1.06 -0.03 -0.72 0.00 0.00 0.00 0.00 179.25 179.56 1rkr h ARG 79 N 0.00 0.02 -6.59 0.00 3.08 -1.97 -3.43 114.38 105.49 1rkr h ARG 79 Ca 0.01 -0.02 -0.56 0.00 0.07 0.00 0.00 59.98 59.48 1rkr h ARG 79 Cb 0.05 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 1rkr h ARG 79 CO -0.00 0.73 1.01 0.08 -1.07 0.00 0.00 179.97 180.72 1rkr s VAL 80 N -3.38 4.01 0.03 2.04 1.01 -0.94 -4.43 120.40 118.75 1rkr s VAL 80 Ca -0.01 0.98 0.17 0.00 0.00 0.00 0.00 61.98 63.11 1rkr s VAL 80 Cb 0.12 -4.51 0.09 0.00 0.00 0.00 0.00 36.38 32.08 1rkr s VAL 80 CO 0.78 -1.06 1.59 0.40 0.00 0.00 0.00 175.10 176.81 1rkr h ILE 81 N 6.30 0.92 -1.60 2.22 2.04 -1.38 -3.47 117.51 122.54 1rkr h ILE 81 Ca -0.25 -1.92 0.14 0.00 1.00 0.00 0.00 64.86 63.83 1rkr h ILE 81 Cb 1.08 2.19 -0.22 0.00 -0.74 0.00 0.00 36.82 39.13 1rkr h ILE 81 CO 1.14 0.45 0.65 0.00 0.00 0.00 0.00 178.15 180.39 1rkr s ALA 82 N -3.28 -1.97 -0.11 1.87 0.00 -1.25 -4.95 121.76 112.06 1rkr s ALA 82 Ca 0.02 1.54 -0.30 0.00 0.00 0.00 0.00 51.96 53.21 1rkr s ALA 82 Cb 0.09 -0.53 0.10 0.00 0.00 0.00 0.00 23.12 22.78 1rkr s ALA 82 CO 0.72 -0.42 0.83 -3.38 0.00 0.00 0.00 175.76 173.52 1rkr s HIS 83 N -1.68 -0.53 0.79 0.00 -3.43 -1.26 -0.92 115.29 108.27 1rkr s HIS 83 Ca 0.03 0.94 -0.03 0.00 -0.80 0.00 0.00 55.06 55.19 1rkr s HIS 83 Cb -0.01 0.42 0.16 0.00 -1.43 0.00 0.00 32.58 31.73 1rkr s HIS 83 CO -0.03 -0.47 1.08 0.95 -2.00 0.00 0.00 174.74 174.28 1rkr s THR 84 N -1.05 2.01 0.77 -5.38 -4.23 -0.16 -4.89 115.64 102.71 1rkr s THR 84 Ca -0.06 -0.51 -0.11 0.00 -1.18 0.00 0.00 61.69 59.83 1rkr s THR 84 Cb -0.01 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 71.40 1rkr s THR 84 CO 0.05 0.00 1.13 -0.54 -0.54 0.00 0.00 174.62 174.73 1rkr s LYS 85 N -5.32 2.10 -0.01 3.99 1.02 -1.26 -4.65 119.74 115.60 1rkr s LYS 85 Ca 0.70 0.05 -0.25 0.00 0.02 0.00 0.00 55.97 56.49 1rkr s LYS 85 Cb -0.04 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 1rkr s LYS 85 CO 0.47 -1.46 0.75 0.08 -0.92 0.00 0.00 175.35 174.27 1rkr s VAL 86 N -3.48 4.89 0.17 3.17 1.01 -1.26 -4.21 120.40 120.70 1rkr s VAL 86 Ca 0.61 1.58 0.10 0.00 0.00 0.00 0.00 61.98 64.27 1rkr s VAL 86 Cb -0.11 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1rkr s VAL 86 CO 0.48 0.29 -0.21 0.27 0.00 0.00 0.00 175.10 175.94 1rkr s ILE 87 N 0.43 2.02 0.20 2.22 -4.36 -0.22 -4.88 121.20 116.61 1rkr s ILE 87 Ca 0.39 -1.93 0.03 0.00 -0.26 0.00 0.00 60.65 58.88 1rkr s ILE 87 Cb -0.19 -1.93 0.03 0.00 1.25 0.00 0.00 42.46 41.61 1rkr s ILE 87 CO 0.21 -0.21 0.23 0.61 0.24 0.00 0.00 174.94 176.02 1rkr n GLY 88 N 0.35 2.28 3.66 6.27 0.00 -1.26 -1.77 105.19 114.72 1rkr n GLY 88 Ca -0.13 -2.18 -0.45 0.00 0.00 0.00 0.00 46.02 43.25 1rkr n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rkr n GLY 89 N 2.60 0.75 2.42 -0.02 0.00 0.25 -2.23 105.19 108.96 1rkr n GLY 89 Ca 0.04 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1rkr n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rkr n GLY 90 N 2.28 0.68 3.92 -0.02 0.00 -0.58 -4.93 105.19 106.53 1rkr n GLY 90 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1rkr n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rkr s GLU 91 N -0.04 2.32 0.01 1.61 2.02 -0.95 -4.97 118.70 118.71 1rkr s GLU 91 Ca 0.00 -1.86 -0.09 0.00 0.02 0.00 0.00 54.97 53.04 1rkr s GLU 91 Cb 0.00 -2.24 0.01 0.00 0.10 0.00 0.00 34.13 31.99 1rkr s GLU 91 CO 0.00 -0.56 0.19 0.99 0.02 0.00 0.00 175.26 175.90 1rkr s THR 92 N -2.69 0.09 0.07 3.63 2.01 -1.26 -1.10 115.64 116.39 1rkr s THR 92 Ca 0.42 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.57 1rkr s THR 92 Cb -0.03 -0.64 0.01 0.00 0.01 0.00 0.00 72.50 71.86 1rkr s THR 92 CO 0.26 -0.40 0.26 -0.62 -0.69 0.00 0.00 174.62 173.42 1rkr s ASP 93 N -1.62 -0.03 0.06 3.53 2.15 0.18 -5.00 116.67 115.94 1rkr s ASP 93 Ca -0.11 -0.40 0.03 0.00 0.43 0.00 0.00 52.55 52.50 1rkr s ASP 93 Cb -0.05 0.36 -0.03 0.00 -0.30 0.00 0.00 42.92 42.90 1rkr s ASP 93 CO 0.00 -0.68 -0.09 -0.44 -0.17 0.00 0.00 175.17 173.79 1rkr s SER 94 N -2.45 1.13 -0.02 -0.34 0.01 -1.26 -0.24 113.70 110.53 1rkr s SER 94 Ca -0.00 -0.64 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 1rkr s SER 94 Cb 0.02 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.28 1rkr s SER 94 CO -0.07 -0.21 0.04 0.54 0.41 0.00 0.00 173.24 173.94 1rkr s VAL 95 N -1.70 -0.04 -0.11 3.43 0.11 -0.62 -4.91 120.40 116.57 1rkr s VAL 95 Ca -0.04 0.13 0.02 0.00 -2.93 0.00 0.00 61.98 59.16 1rkr s VAL 95 Cb -0.08 -0.08 -0.01 0.00 -1.53 0.00 0.00 36.38 34.68 1rkr s VAL 95 CO 0.00 0.05 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.76 1rkr s THR 96 N 0.67 2.65 0.20 5.04 2.01 -1.26 -1.07 115.64 123.89 1rkr s THR 96 Ca -0.06 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.20 1rkr s THR 96 Cb -0.08 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 1rkr s THR 96 CO -0.02 0.55 -0.13 0.72 -0.69 0.00 0.00 174.62 175.04 1rkr s PHE 97 N 0.20 1.65 -0.14 4.92 -0.71 -0.59 -4.93 117.98 118.39 1rkr s PHE 97 Ca -0.11 -0.61 -0.29 0.00 -1.04 0.00 0.00 56.93 54.88 1rkr s PHE 97 Cb -0.16 -0.79 -0.01 0.00 -1.21 0.00 0.00 43.02 40.85 1rkr s PHE 97 CO 0.06 0.31 0.99 -0.51 -1.34 0.00 0.00 175.22 174.72 1rkr s ASP 98 N -3.30 7.18 0.60 1.98 1.01 -1.26 -1.22 116.67 121.65 1rkr s ASP 98 Ca 0.22 1.45 0.33 0.00 0.71 0.00 0.00 52.55 55.26 1rkr s ASP 98 Cb 0.00 -2.54 1.89 0.00 1.01 0.00 0.00 42.92 43.28 1rkr s ASP 98 CO 0.06 -0.48 2.25 0.58 0.21 0.00 0.00 175.17 177.79 1rkr h VAL 99 N 5.17 0.42 0.00 -1.27 2.07 -1.44 -0.93 116.25 120.27 1rkr h VAL 99 Ca -0.29 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1rkr h VAL 99 Cb 1.13 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1rkr h VAL 99 CO 0.88 0.02 0.00 -1.54 0.02 0.00 0.00 177.57 176.94 1rkr n SER 100 N -3.65 0.58 -0.14 0.57 3.41 -1.26 -1.44 113.62 111.70 1rkr n SER 100 Ca -0.03 0.74 0.15 0.00 -0.26 0.00 0.00 58.87 59.47 1rkr n SER 100 Cb 0.11 -0.83 0.74 0.00 -0.26 0.00 0.00 64.21 63.97 1rkr n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1rkr n LYS 101 N -2.25 1.00 -4.22 4.33 5.02 -0.35 -4.81 118.16 116.88 1rkr n LYS 101 Ca -0.01 -0.28 -0.35 0.00 -2.02 0.00 0.00 58.31 55.65 1rkr n LYS 101 Cb 0.08 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.50 1rkr n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rkr s LEU 102 N -2.19 3.75 -0.22 -0.35 1.43 -0.52 -5.09 118.68 115.50 1rkr s LEU 102 Ca 0.38 0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.60 1rkr s LEU 102 Cb 0.21 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1rkr s LEU 102 CO 0.40 0.34 0.03 0.00 0.23 0.00 0.00 176.35 177.35 1rkr s ALA 103 N -0.63 3.10 0.40 4.21 0.00 -1.26 -5.05 121.76 122.52 1rkr s ALA 103 Ca 0.11 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 50.77 1rkr s ALA 103 Cb -0.12 -1.91 -0.09 0.00 0.00 0.00 0.00 23.12 21.01 1rkr s ALA 103 CO 0.02 -0.28 1.26 0.00 0.00 0.00 0.00 175.76 176.76 1rkr s ALA 104 N 1.24 3.24 0.00 0.00 0.00 -1.26 -2.05 121.76 122.93 1rkr s ALA 104 Ca 0.04 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1rkr s ALA 104 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1rkr s ALA 104 CO 0.02 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1rkr n GLY 105 N 0.68 1.82 3.71 0.00 0.00 -1.26 -5.04 105.19 105.11 1rkr n GLY 105 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1rkr n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rkr s GLU 106 N -0.78 2.67 -0.04 1.61 -6.30 -0.87 -5.12 118.70 109.86 1rkr s GLU 106 Ca 0.00 -0.77 0.06 0.00 -2.50 0.00 0.00 54.97 51.76 1rkr s GLU 106 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 34.13 31.51 1rkr s GLU 106 CO 0.00 0.56 -0.23 0.34 0.02 0.00 0.00 175.26 175.94 1rkr s ASP 107 N -2.27 3.25 -0.05 -1.70 -1.08 -1.26 -4.84 116.67 108.72 1rkr s ASP 107 Ca 0.26 -0.44 0.01 0.00 -0.52 0.00 0.00 52.55 51.86 1rkr s ASP 107 Cb -0.12 -0.64 -0.03 0.00 -1.46 0.00 0.00 42.92 40.67 1rkr s ASP 107 CO 0.19 0.29 -0.04 -0.31 0.52 0.00 0.00 175.17 175.82 1rkr s TYR 108 N -0.44 3.01 -0.04 -5.34 2.02 -1.11 -1.91 117.35 113.54 1rkr s TYR 108 Ca 0.05 0.06 -0.00 0.00 -0.37 0.00 0.00 57.07 56.81 1rkr s TYR 108 Cb -0.12 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 1rkr s TYR 108 CO 0.01 0.40 0.01 0.00 -1.57 0.00 0.00 175.55 174.40 1rkr s ALA 109 N -0.91 3.32 0.04 3.71 0.00 0.20 -1.06 121.76 127.05 1rkr s ALA 109 Ca 0.15 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.28 1rkr s ALA 109 Cb -0.11 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1rkr s ALA 109 CO 0.04 0.63 -0.17 1.52 0.00 0.00 0.00 175.76 177.78 1rkr s TYR 110 N -1.01 1.48 0.17 0.00 -0.85 0.28 -0.95 117.35 116.47 1rkr s TYR 110 Ca 0.17 -0.36 -0.03 0.00 -0.52 0.00 0.00 57.07 56.34 1rkr s TYR 110 Cb -0.11 -0.88 0.01 0.00 0.38 0.00 0.00 41.96 41.36 1rkr s TYR 110 CO 0.07 0.06 0.28 1.97 -1.52 0.00 0.00 175.55 176.41 1rkr n PHE 111 N 1.92 -1.19 -4.85 -3.49 -1.74 -0.81 -0.37 117.46 106.93 1rkr n PHE 111 Ca -0.17 -1.02 -0.31 0.00 -0.56 0.00 0.00 57.45 55.39 1rkr n PHE 111 Cb 0.54 0.33 -0.17 0.00 1.52 0.00 0.00 39.48 41.70 1rkr n PHE 111 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1rkr n SER 113 N 3.84 2.24 -4.72 0.00 3.41 -1.26 -2.44 113.62 114.68 1rkr n SER 113 Ca -0.20 -1.75 -0.42 0.00 -0.26 0.00 0.00 58.87 56.24 1rkr n SER 113 Cb 0.52 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1rkr n SER 113 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1rkr n PHE 114 N 0.74 2.74 -0.91 7.33 -0.00 -1.26 -4.43 117.46 121.67 1rkr n PHE 114 Ca 0.17 0.15 -0.41 0.00 -0.00 0.00 0.00 57.45 57.36 1rkr n PHE 114 Cb 0.46 -2.63 -0.08 0.00 -0.00 0.00 0.00 39.48 37.24 1rkr n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1rkr n PRO 115 N 3.18 0.00 -0.18 -7.13 -0.02 -1.26 -0.88 135.00 128.71 1rkr n PRO 115 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1rkr n PRO 115 Cb 0.35 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 1rkr n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rkr n GLY 116 N 4.38 2.61 0.26 -1.23 0.00 -1.26 -4.89 105.19 105.06 1rkr n GLY 116 Ca 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.30 1rkr n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1rkr h HIS 117 N 0.00 0.69 -1.28 1.61 3.86 -1.23 -3.15 115.15 115.65 1rkr h HIS 117 Ca 0.00 -0.13 0.37 0.00 -1.16 0.00 0.00 60.37 59.46 1rkr h HIS 117 Cb 0.00 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.24 1rkr h HIS 117 CO 0.00 0.75 0.93 0.27 0.86 0.00 0.00 177.93 180.74 1rkr h PHE 118 N 0.57 0.00 -0.77 2.45 -0.00 -1.68 0.13 116.94 117.65 1rkr h PHE 118 Ca 0.10 0.00 0.05 0.00 -0.00 0.00 0.00 57.97 58.11 1rkr h PHE 118 Cb 0.59 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 36.49 1rkr h PHE 118 CO 0.02 0.00 0.50 0.00 -0.00 0.00 0.00 178.31 178.84 1rkr h ALA 119 N 1.35 1.59 0.00 12.09 0.00 -1.88 -3.23 119.26 129.18 1rkr h ALA 119 Ca 0.61 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.38 1rkr h ALA 119 Cb 2.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.98 1rkr h ALA 119 CO -0.01 0.31 -1.56 1.28 0.00 0.00 0.00 179.25 179.28 1rkr n LEU 120 N -4.46 0.00 -4.33 0.00 7.99 -0.29 -4.82 117.00 111.08 1rkr n LEU 120 Ca 0.10 0.00 -0.45 0.00 -0.01 0.00 0.00 56.01 55.65 1rkr n LEU 120 Cb 0.16 0.15 -0.01 0.00 -0.11 0.00 0.00 43.42 43.61 1rkr n LEU 120 CO 0.34 0.15 0.66 -0.04 -1.51 0.00 0.00 177.39 176.99 1rkr s MET 121 N -2.37 4.00 -0.03 3.23 -1.94 0.31 -4.66 119.30 117.83 1rkr s MET 121 Ca -0.04 -2.98 -0.06 0.00 -1.71 0.00 0.00 55.69 50.89 1rkr s MET 121 Cb 0.04 -4.50 0.01 0.00 2.01 0.00 0.00 34.83 32.38 1rkr s MET 121 CO 0.38 -1.26 0.14 0.21 -0.01 0.00 0.00 175.02 174.49 1rkr s LYS 122 N -0.82 0.31 0.23 2.03 2.36 -1.26 -2.07 119.74 120.54 1rkr s LYS 122 Ca 0.27 -0.07 -0.22 0.00 -2.55 0.00 0.00 55.97 53.39 1rkr s LYS 122 Cb -0.10 0.14 0.05 0.00 -1.05 0.00 0.00 37.83 36.86 1rkr s LYS 122 CO -0.08 -0.06 0.86 0.20 1.55 0.00 0.00 175.35 177.81 1rkr s GLY 123 N -0.59 -0.08 -0.10 5.54 0.00 0.50 -4.90 107.32 107.70 1rkr s GLY 123 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1rkr s GLY 123 CO 0.01 0.14 -0.09 -1.34 0.00 0.00 0.00 173.10 171.81 1rkr s VAL 124 N -3.31 3.48 -0.03 1.40 -7.23 -0.84 -0.55 120.40 113.30 1rkr s VAL 124 Ca 0.13 -0.54 0.02 0.00 -1.81 0.00 0.00 61.98 59.78 1rkr s VAL 124 Cb -0.04 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 1rkr s VAL 124 CO 0.05 0.56 -0.05 -0.22 -0.31 0.00 0.00 175.10 175.13 1rkr s LEU 125 N -0.27 3.25 0.04 1.32 0.20 -0.22 -1.03 118.68 121.97 1rkr s LEU 125 Ca 0.03 -0.05 -0.06 0.00 0.69 0.00 0.00 54.13 54.74 1rkr s LEU 125 Cb -0.13 -1.79 -0.01 0.00 -0.43 0.00 0.00 46.19 43.84 1rkr s LEU 125 CO 0.03 0.32 0.12 -1.59 -0.29 0.00 0.00 176.35 174.94 1rkr s LYS 126 N -1.13 0.60 0.02 1.98 -2.85 -0.93 -2.76 119.74 114.67 1rkr s LYS 126 Ca 0.15 -0.70 -0.23 0.00 -1.00 0.00 0.00 55.97 54.20 1rkr s LYS 126 Cb -0.11 0.24 -0.05 0.00 -2.06 0.00 0.00 37.83 35.84 1rkr s LYS 126 CO 0.05 -0.15 0.68 -1.17 0.10 0.00 0.00 175.35 174.85 1rkr s LEU 127 N -2.05 4.44 0.24 2.77 2.96 -1.26 -0.15 118.68 125.63 1rkr s LEU 127 Ca -0.06 1.31 0.09 0.00 -0.22 0.00 0.00 54.13 55.25 1rkr s LEU 127 Cb -0.02 -3.08 -0.05 0.00 0.50 0.00 0.00 46.19 43.55 1rkr s LEU 127 CO -0.04 0.07 -0.15 0.54 -1.32 0.00 0.00 176.35 175.45 1rkr s VAL 128 N -0.16 1.95 0.00 1.68 0.11 0.94 -4.89 120.40 120.03 1rkr s VAL 128 Ca 0.35 -2.26 0.00 0.00 -2.93 0.00 0.00 61.98 57.14 1rkr s VAL 128 Cb -0.19 -2.19 0.00 0.00 -1.53 0.00 0.00 36.38 32.47 1rkr s VAL 128 CO 0.20 -0.49 0.00 -0.90 -3.33 0.00 0.00 175.10 170.58