#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 1.50 -0.41 0.00 0.41 -1.26 -5.05 118.70 113.88 1rkr s GLU 2 Ca 0.00 -0.96 0.10 0.00 -0.41 0.00 0.00 54.97 53.71 1rkr s GLU 2 Cb 0.00 -2.24 0.41 0.00 -1.78 0.00 0.00 34.13 30.53 1rkr s GLU 2 CO 0.00 -1.62 0.98 0.00 -0.49 0.00 0.00 175.26 174.12 1rkr s SER 4 N -3.24 -0.48 0.03 0.00 1.04 -1.26 -2.51 113.70 107.29 1rkr s SER 4 Ca 0.40 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.37 1rkr s SER 4 Cb 0.40 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.90 1rkr s SER 4 CO -0.09 -0.43 -0.04 0.54 0.98 0.00 0.00 173.24 174.20 1rkr s VAL 5 N -1.09 0.23 -0.13 5.02 0.11 -0.21 -4.95 120.40 119.39 1rkr s VAL 5 Ca -0.05 -1.14 -0.01 0.00 -2.93 0.00 0.00 61.98 57.85 1rkr s VAL 5 Cb -0.00 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 1rkr s VAL 5 CO 0.04 -0.58 -0.08 -1.81 -3.33 0.00 0.00 175.10 169.34 1rkr s ASP 6 N -1.80 4.44 -0.01 3.54 1.11 -1.26 -0.66 116.67 122.03 1rkr s ASP 6 Ca -0.10 -0.19 0.01 0.00 0.18 0.00 0.00 52.55 52.45 1rkr s ASP 6 Cb -0.06 -1.58 0.01 0.00 1.07 0.00 0.00 42.92 42.36 1rkr s ASP 6 CO -0.02 0.21 -0.02 -0.51 1.18 0.00 0.00 175.17 176.00 1rkr s ILE 7 N 0.12 0.26 -0.11 0.77 2.07 0.39 -4.94 121.20 119.76 1rkr s ILE 7 Ca -0.04 -0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.11 1rkr s ILE 7 Cb -0.14 -0.27 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 1rkr s ILE 7 CO 0.04 0.11 -0.03 0.00 -1.91 0.00 0.00 174.94 173.15 1rkr s ALA 8 N 0.33 3.10 -0.15 1.50 0.00 -1.26 -0.92 121.76 124.37 1rkr s ALA 8 Ca -0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 1rkr s ALA 8 Cb -0.06 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1rkr s ALA 8 CO -0.01 0.41 -0.01 0.20 0.00 0.00 0.00 175.76 176.36 1rkr s GLY 9 N -0.29 1.79 0.21 0.00 0.00 -0.18 -1.85 107.32 107.00 1rkr s GLY 9 Ca 0.05 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 43.98 1rkr s GLY 9 CO 0.02 -0.11 0.06 1.16 0.00 0.00 0.00 173.10 174.23 1rkr n ASN 10 N 3.32 2.27 0.21 1.64 0.23 -0.56 -3.91 115.26 118.46 1rkr n ASN 10 Ca -0.17 -1.85 0.14 0.00 -0.53 0.00 0.00 54.58 52.17 1rkr n ASN 10 Cb 0.53 0.09 0.45 0.00 -2.08 0.00 0.00 39.78 38.76 1rkr n ASN 10 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1rkr h ASP 11 N 0.41 0.00 -0.15 0.53 3.32 -1.90 -2.58 116.42 116.06 1rkr h ASP 11 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1rkr h ASP 11 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1rkr h ASP 11 CO 0.26 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.39 1rkr n GLY 12 N 0.57 -0.21 3.61 2.75 0.00 -1.26 -4.89 105.19 105.76 1rkr n GLY 12 Ca 0.03 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.04 -7.39 -4.21 1.61 1.56 -0.97 -5.01 117.12 102.66 1rkr n MET 13 Ca 0.05 0.80 -0.18 0.00 -0.27 0.00 0.00 57.70 58.10 1rkr n MET 13 Cb 0.14 -5.82 -0.12 0.00 2.15 0.00 0.00 33.22 29.58 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 -6.18 0.92 0.16 2.12 -0.21 -1.26 -4.45 119.66 110.76 1rkr s GLN 14 Ca 0.48 -1.09 -0.02 0.00 0.02 0.00 0.00 55.36 54.76 1rkr s GLN 14 Cb -0.22 -0.89 -0.05 0.00 1.00 0.00 0.00 33.01 32.86 1rkr s GLN 14 CO 0.74 0.19 0.35 -0.06 -2.12 0.00 0.00 175.29 174.39 1rkr s PHE 15 N -1.63 3.49 0.05 0.91 0.08 -1.26 -1.50 117.98 118.12 1rkr s PHE 15 Ca 0.03 0.38 0.11 0.00 0.12 0.00 0.00 56.93 57.57 1rkr s PHE 15 Cb -0.08 -1.88 0.01 0.00 -0.57 0.00 0.00 43.02 40.50 1rkr s PHE 15 CO 0.03 0.44 1.40 0.38 -0.10 0.00 0.00 175.22 177.36 1rkr h ASP 16 N 2.44 0.00 -2.84 1.36 3.04 -1.75 -3.45 116.42 115.21 1rkr h ASP 16 Ca -0.47 0.00 -0.66 0.00 -3.24 0.00 0.00 57.03 52.66 1rkr h ASP 16 Cb 1.18 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 39.39 1rkr h ASP 16 CO 0.71 0.76 -0.52 -0.54 -2.04 0.00 0.00 179.24 177.61 1rkr s LYS 17 N -2.95 3.32 0.00 4.15 3.01 -1.26 -4.98 119.74 121.03 1rkr s LYS 17 Ca 0.02 -0.27 0.19 0.00 -1.01 0.00 0.00 55.97 54.89 1rkr s LYS 17 Cb 0.10 -3.06 -0.03 0.00 -1.01 0.00 0.00 37.83 33.82 1rkr s LYS 17 CO 0.78 0.72 0.92 1.63 0.51 0.00 0.00 175.35 179.92 1rkr n LYS 18 N 1.58 1.44 -3.64 1.68 4.76 -1.26 -4.88 118.16 117.85 1rkr n LYS 18 Ca -0.16 -0.77 -0.08 0.00 -2.87 0.00 0.00 58.31 54.43 1rkr n LYS 18 Cb 0.54 -1.36 -0.07 0.00 -1.84 0.00 0.00 35.03 32.30 1rkr n LYS 18 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1rkr s GLU 19 N -2.21 0.68 -0.03 1.97 2.12 -1.26 -1.76 118.70 118.22 1rkr s GLU 19 Ca 0.14 1.08 0.05 0.00 0.36 0.00 0.00 54.97 56.59 1rkr s GLU 19 Cb 0.15 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.70 1rkr s GLU 19 CO 0.51 -0.13 -0.15 0.42 -0.54 0.00 0.00 175.26 175.37 1rkr s ILE 20 N 1.27 2.98 -0.21 -3.70 1.01 -0.75 -4.99 121.20 116.81 1rkr s ILE 20 Ca -0.07 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1rkr s ILE 20 Cb -0.05 -2.18 0.05 0.00 0.01 0.00 0.00 42.46 40.29 1rkr s ILE 20 CO -0.14 0.53 -0.09 0.28 0.00 0.00 0.00 174.94 175.51 1rkr s THR 21 N -0.78 1.67 -0.34 2.92 -1.32 -1.26 -2.57 115.64 113.96 1rkr s THR 21 Ca 0.12 -1.12 -0.22 0.00 -1.21 0.00 0.00 61.69 59.27 1rkr s THR 21 Cb -0.11 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 69.10 1rkr s THR 21 CO 0.02 0.09 0.70 -0.69 -2.21 0.00 0.00 174.62 172.53 1rkr s VAL 22 N 1.37 4.84 0.21 5.08 1.01 -0.34 -4.91 120.40 127.66 1rkr s VAL 22 Ca -0.03 0.80 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 1rkr s VAL 22 Cb -0.17 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 1rkr s VAL 22 CO -0.07 -0.31 1.13 -0.55 0.00 0.00 0.00 175.10 175.30 1rkr s SER 23 N 1.76 7.20 0.00 3.32 0.15 -1.26 0.25 113.70 125.11 1rkr s SER 23 Ca 0.28 2.19 0.08 0.00 0.70 0.00 0.00 55.95 59.20 1rkr s SER 23 Cb -0.14 -2.61 0.34 0.00 -1.71 0.00 0.00 66.02 61.89 1rkr s SER 23 CO 0.15 -0.25 1.23 0.29 1.20 0.00 0.00 173.24 175.86 1rkr n LYS 24 N 2.07 0.01 0.29 5.44 5.02 -0.80 -1.92 118.16 128.27 1rkr n LYS 24 Ca 0.02 0.35 0.18 0.00 -2.02 0.00 0.00 58.31 56.84 1rkr n LYS 24 Cb 0.45 -1.50 0.86 0.00 -0.02 0.00 0.00 35.03 34.82 1rkr n LYS 24 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1rkr h SER 25 N 0.00 0.00 -3.46 4.39 0.02 -1.91 -3.42 113.55 109.16 1rkr h SER 25 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1rkr h SER 25 Cb 0.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1rkr h SER 25 CO 0.00 0.04 0.33 0.00 -1.14 0.00 0.00 176.83 176.06 1rkr n LYS 27 N 3.43 0.64 -4.28 0.00 5.02 -1.26 -4.70 118.16 117.01 1rkr n LYS 27 Ca 0.04 0.08 -0.17 0.00 -2.02 0.00 0.00 58.31 56.24 1rkr n LYS 27 Cb 0.50 -1.68 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.96 1.14 -0.06 1.97 -0.21 -1.26 -0.99 119.66 117.28 1rkr s GLN 28 Ca -0.05 -1.44 -0.02 0.00 0.02 0.00 0.00 55.36 53.86 1rkr s GLN 28 Cb 0.09 -0.87 0.04 0.00 1.00 0.00 0.00 33.01 33.27 1rkr s GLN 28 CO 0.83 0.14 0.13 0.12 -2.12 0.00 0.00 175.29 174.39 1rkr s PHE 29 N -2.88 -0.13 -0.19 0.91 5.36 -0.12 -4.79 117.98 116.13 1rkr s PHE 29 Ca 0.16 0.44 -0.07 0.00 -0.96 0.00 0.00 56.93 56.50 1rkr s PHE 29 Cb -0.01 -0.13 -0.04 0.00 -0.34 0.00 0.00 43.02 42.51 1rkr s PHE 29 CO 0.03 -0.17 0.05 0.99 -1.46 0.00 0.00 175.22 174.66 1rkr s THR 30 N 1.28 4.53 -0.26 0.12 2.01 -1.04 -1.47 115.64 120.81 1rkr s THR 30 Ca -0.08 -0.12 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 1rkr s THR 30 Cb -0.12 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 1rkr s THR 30 CO -0.05 0.44 0.08 -0.69 -0.69 0.00 0.00 174.62 173.71 1rkr s VAL 31 N 0.63 4.36 -0.32 3.82 1.01 0.24 -1.04 120.40 129.11 1rkr s VAL 31 Ca 0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1rkr s VAL 31 Cb -0.13 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1rkr s VAL 31 CO 0.02 0.31 0.13 0.20 0.00 0.00 0.00 175.10 175.76 1rkr s ASN 32 N 1.62 5.39 -0.15 3.32 -0.87 0.17 -1.19 114.94 123.23 1rkr s ASN 32 Ca 0.06 -0.74 -0.13 0.00 -1.57 0.00 0.00 52.86 50.49 1rkr s ASN 32 Cb -0.15 -1.95 -0.05 0.00 -0.02 0.00 0.00 41.25 39.08 1rkr s ASN 32 CO 0.04 -0.24 0.27 -0.22 -2.57 0.00 0.00 177.10 174.38 1rkr s LEU 33 N 1.54 4.26 0.08 0.60 2.96 0.54 -0.46 118.68 128.19 1rkr s LEU 33 Ca 0.03 0.50 0.07 0.00 -0.22 0.00 0.00 54.13 54.50 1rkr s LEU 33 Cb -0.18 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 1rkr s LEU 33 CO 0.04 0.14 -0.18 -1.59 -1.32 0.00 0.00 176.35 173.45 1rkr s LYS 34 N 0.26 1.06 -0.55 1.98 0.00 -0.10 -1.19 119.74 121.20 1rkr s LYS 34 Ca 0.16 -1.02 -0.00 0.00 0.00 0.00 0.00 55.97 55.11 1rkr s LYS 34 Cb -0.13 -1.20 0.14 0.00 0.00 0.00 0.00 37.83 36.65 1rkr s LYS 34 CO 0.04 0.28 0.33 -1.58 0.00 0.00 0.00 175.35 174.42 1rkr s HIS 35 N -1.09 3.39 1.04 1.78 2.46 -0.50 -1.01 115.29 121.36 1rkr s HIS 35 Ca 0.04 -2.84 -0.11 0.00 0.47 0.00 0.00 55.06 52.61 1rkr s HIS 35 Cb -0.10 -3.07 0.22 0.00 -0.13 0.00 0.00 32.58 29.50 1rkr s HIS 35 CO 0.03 -0.83 1.08 -1.25 -2.47 0.00 0.00 174.74 171.30 1rkr s PRO 36 N 0.08 0.02 0.00 2.88 0.04 -1.25 -1.49 135.00 135.28 1rkr s PRO 36 Ca 0.15 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1rkr s PRO 36 Cb -0.22 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1rkr s PRO 36 CO -0.03 -3.19 0.00 0.41 0.04 0.00 0.00 177.00 174.24 1rkr n GLY 37 N 0.46 1.97 0.00 0.56 0.00 -1.26 -4.34 105.19 102.58 1rkr n GLY 37 Ca 0.07 -1.92 0.07 0.00 0.00 0.00 0.00 46.02 44.24 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 1.97 1.42 -2.59 1.61 2.85 -1.26 -2.96 118.16 119.20 1rkr n LYS 38 Ca 0.00 -0.07 -0.35 0.00 -1.05 0.00 0.00 58.31 56.85 1rkr n LYS 38 Cb 0.00 -1.24 -0.04 0.00 -0.65 0.00 0.00 35.03 33.09 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 -3.33 3.95 0.50 -5.58 1.43 -1.26 -4.71 118.68 109.67 1rkr s LEU 39 Ca -0.00 1.92 -0.19 0.00 -1.03 0.00 0.00 54.13 54.82 1rkr s LEU 39 Cb 0.10 -4.44 -0.08 0.00 0.03 0.00 0.00 46.19 41.79 1rkr s LEU 39 CO 0.57 -0.62 1.02 0.00 0.23 0.00 0.00 176.35 177.55 1rkr s ALA 40 N -1.91 2.91 0.62 4.21 0.00 -1.26 -0.15 121.76 126.17 1rkr s ALA 40 Ca 0.63 0.48 0.28 0.00 0.00 0.00 0.00 51.96 53.36 1rkr s ALA 40 Cb -0.17 -3.21 1.50 0.00 0.00 0.00 0.00 23.12 21.23 1rkr s ALA 40 CO 0.21 -0.30 1.88 -0.22 0.00 0.00 0.00 175.76 177.33 1rkr h LYS 41 N 1.37 0.00 0.00 0.00 3.64 -1.83 0.76 116.57 120.51 1rkr h LYS 41 Ca -0.49 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 1rkr h LYS 41 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1rkr h LYS 41 CO 0.59 0.00 -0.22 -2.95 -2.27 0.00 0.00 179.45 174.60 1rkr h ASN 42 N 0.00 0.00 0.00 4.20 -1.07 -1.93 -3.16 115.58 113.62 1rkr h ASN 42 Ca 0.13 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.33 1rkr h ASN 42 Cb 1.00 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.22 1rkr h ASN 42 CO -0.00 0.22 -1.63 1.33 0.07 0.00 0.00 177.43 177.42 1rkr n VAL 43 N -3.16 0.63 -3.08 6.14 0.24 0.05 -4.85 118.33 114.31 1rkr n VAL 43 Ca 0.03 -0.38 -0.16 0.00 -2.04 0.00 0.00 64.34 61.79 1rkr n VAL 43 Cb 0.62 -0.77 -0.00 0.00 -1.47 0.00 0.00 33.84 32.22 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 -2.37 0.96 -2.99 7.34 0.00 0.00 -5.02 117.12 115.05 1rkr n MET 44 Ca -0.15 -3.01 -0.34 0.00 -0.00 0.00 0.00 57.70 54.20 1rkr n MET 44 Cb 0.79 -1.52 -0.06 0.00 0.00 0.00 0.00 33.22 32.42 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 -2.08 2.43 0.01 -5.12 0.00 -1.19 -4.66 107.32 96.70 1rkr s GLY 45 Ca 0.36 0.23 -0.00 0.00 0.00 0.00 0.00 44.72 45.30 1rkr s GLY 45 CO -0.08 0.50 -0.01 0.30 0.00 0.00 0.00 173.10 173.81 1rkr s HIS 46 N -1.96 0.16 0.16 1.90 3.76 -0.92 -4.76 115.29 113.63 1rkr s HIS 46 Ca 0.55 -0.32 -0.00 0.00 -0.15 0.00 0.00 55.06 55.14 1rkr s HIS 46 Cb -0.11 -0.12 -0.04 0.00 1.11 0.00 0.00 32.58 33.42 1rkr s HIS 46 CO 0.17 -0.13 0.06 0.54 -0.85 0.00 0.00 174.74 174.53 1rkr s ASN 47 N -0.95 0.54 -0.19 1.40 2.20 -1.26 -0.57 114.94 116.10 1rkr s ASN 47 Ca -0.10 -1.25 -0.00 0.00 -0.94 0.00 0.00 52.86 50.57 1rkr s ASN 47 Cb -0.06 0.26 0.01 0.00 -2.00 0.00 0.00 41.25 39.46 1rkr s ASN 47 CO -0.01 -0.72 -0.17 0.86 -2.94 0.00 0.00 177.10 174.13 1rkr s TRP 48 N -3.96 2.82 -0.05 1.54 -0.00 -1.26 -3.96 118.94 114.07 1rkr s TRP 48 Ca 0.28 -1.50 0.06 0.00 -0.00 0.00 0.00 56.10 54.94 1rkr s TRP 48 Cb 0.07 -1.96 -0.01 0.00 -0.00 0.00 0.00 33.47 31.57 1rkr s TRP 48 CO 0.05 -0.75 -0.24 0.08 -0.00 0.00 0.00 176.95 176.09 1rkr s VAL 49 N 1.33 1.93 -0.18 5.86 1.01 0.37 -1.62 120.40 129.11 1rkr s VAL 49 Ca 0.05 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1rkr s VAL 49 Cb -0.13 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1rkr s VAL 49 CO -0.11 0.54 -0.06 -0.22 0.00 0.00 0.00 175.10 175.25 1rkr s LEU 50 N -0.18 2.95 0.24 3.92 0.20 -0.27 -1.10 118.68 124.43 1rkr s LEU 50 Ca -0.02 -0.31 0.01 0.00 0.69 0.00 0.00 54.13 54.50 1rkr s LEU 50 Cb -0.13 -1.72 -0.04 0.00 -0.43 0.00 0.00 46.19 43.87 1rkr s LEU 50 CO 0.03 0.07 0.19 0.42 -0.29 0.00 0.00 176.35 176.77 1rkr s THR 51 N 0.95 0.00 0.45 3.68 -4.23 -0.88 -1.15 115.64 114.46 1rkr s THR 51 Ca -0.01 -1.97 -0.22 0.00 -1.18 0.00 0.00 61.69 58.32 1rkr s THR 51 Cb -0.15 -2.49 -0.08 0.00 1.34 0.00 0.00 72.50 71.12 1rkr s THR 51 CO 0.01 0.00 1.07 -0.54 -0.54 0.00 0.00 174.62 174.62 1rkr s LYS 52 N -3.95 3.89 0.25 3.99 1.02 -1.26 -1.71 119.74 121.96 1rkr s LYS 52 Ca 0.39 1.51 -0.11 0.00 0.02 0.00 0.00 55.97 57.77 1rkr s LYS 52 Cb 0.05 -2.31 0.35 0.00 -0.52 0.00 0.00 37.83 35.41 1rkr s LYS 52 CO 0.16 -0.38 1.59 0.37 -0.92 0.00 0.00 175.35 176.17 1rkr h GLN 53 N 1.96 -0.00 0.00 1.68 5.75 -1.72 0.53 115.11 123.30 1rkr h GLN 53 Ca -0.49 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 57.97 1rkr h GLN 53 Cb 1.23 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 1rkr h GLN 53 CO 0.60 -0.00 -0.20 0.00 -2.65 0.00 0.00 178.83 176.58 1rkr h ALA 54 N 1.80 0.98 0.00 3.38 0.00 -1.93 -3.04 119.26 120.46 1rkr h ALA 54 Ca 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1rkr h ALA 54 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1rkr h ALA 54 CO -0.85 0.26 -0.08 -0.25 0.00 0.00 0.00 179.25 178.32 1rkr n ASP 55 N -3.31 0.26 0.14 0.00 8.00 0.16 -4.37 116.55 117.43 1rkr n ASP 55 Ca 0.01 0.42 -0.14 0.00 0.71 0.00 0.00 54.79 55.78 1rkr n ASP 55 Cb 0.45 -0.45 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.64 -1.01 -1.24 4.05 -1.38 -2.37 114.93 112.35 1rkr h MET 56 Ca 0.00 0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 1rkr h MET 56 Cb 0.56 0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 31.45 1rkr h MET 56 CO 0.00 -0.42 0.66 0.37 0.23 0.00 0.00 176.91 177.74 1rkr h GLN 57 N -0.66 1.21 -0.45 0.39 5.75 -1.82 -1.51 115.11 118.01 1rkr h GLN 57 Ca 0.01 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 1rkr h GLN 57 Cb 0.67 -0.27 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 1rkr h GLN 57 CO -0.20 0.80 0.16 0.78 -2.65 0.00 0.00 178.83 177.73 1rkr h GLY 58 N 1.25 0.74 1.68 2.39 0.00 -1.79 -0.23 103.07 107.11 1rkr h GLY 58 Ca 0.41 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1rkr h GLY 58 CO -0.14 0.39 -0.19 0.00 0.00 0.00 0.00 176.54 176.61 1rkr h ALA 59 N 1.01 1.27 0.27 3.60 0.00 -0.88 -0.98 119.26 123.55 1rkr h ALA 59 Ca 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1rkr h ALA 59 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rkr h ALA 59 CO -0.01 0.48 -0.13 0.28 0.00 0.00 0.00 179.25 179.87 1rkr h VAL 60 N 0.35 0.77 -0.25 0.00 2.07 -0.77 0.12 116.25 118.55 1rkr h VAL 60 Ca 0.06 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1rkr h VAL 60 Cb 0.54 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1rkr h VAL 60 CO 0.04 0.07 -0.26 0.78 0.02 0.00 0.00 177.57 178.22 1rkr h ASN 61 N -0.54 0.48 0.45 0.57 -0.26 -0.75 0.61 115.58 116.15 1rkr h ASN 61 Ca -0.04 -0.16 -0.30 0.00 -0.56 0.00 0.00 56.30 55.24 1rkr h ASN 61 Cb 0.40 -0.13 0.02 0.00 -1.06 0.00 0.00 38.32 37.55 1rkr h ASN 61 CO 0.06 0.73 -1.34 0.44 -1.06 0.00 0.00 177.43 176.27 1rkr h ASP 62 N 0.42 0.62 -0.85 5.81 3.32 -1.23 -3.30 116.42 121.22 1rkr h ASP 62 Ca 0.06 -0.66 0.07 0.00 0.02 0.00 0.00 57.03 56.52 1rkr h ASP 62 Cb 0.67 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 1rkr h ASP 62 CO 0.05 1.51 0.52 1.23 -1.72 0.00 0.00 179.24 180.83 1rkr h GLY 63 N 0.94 1.29 0.47 2.75 0.00 -0.45 -1.25 103.07 106.82 1rkr h GLY 63 Ca -0.19 -0.37 0.16 0.00 0.00 0.00 0.00 47.33 46.93 1rkr h GLY 63 CO 0.24 0.23 0.57 1.98 0.00 0.00 0.00 176.54 179.56 1rkr h MET 64 N 0.93 0.60 0.00 4.80 -1.53 -0.97 0.06 114.93 118.82 1rkr h MET 64 Ca 0.38 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.60 1rkr h MET 64 Cb 0.21 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.13 1rkr h MET 64 CO -0.19 0.39 -0.63 0.00 0.14 0.00 0.00 176.91 176.63 1rkr h ALA 65 N 1.61 0.67 0.00 0.39 0.00 -1.33 -3.35 119.26 117.25 1rkr h ALA 65 Ca 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 1rkr h ALA 65 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1rkr h ALA 65 CO -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 179.25 178.74 1rkr h ALA 66 N 2.12 1.36 0.00 0.00 0.00 -0.48 -3.49 119.26 118.77 1rkr h ALA 66 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1rkr h ALA 66 Cb 0.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1rkr h ALA 66 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1rkr n GLY 67 N -0.50 -0.47 0.34 0.00 0.00 -1.23 -4.18 105.19 99.16 1rkr n GLY 67 Ca -0.02 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.29 1rkr n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rkr h LEU 68 N 0.00 0.94 -2.47 0.99 6.46 -1.93 -1.57 115.31 117.73 1rkr h LEU 68 Ca 0.00 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1rkr h LEU 68 Cb 0.00 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.69 1rkr h LEU 68 CO 0.00 0.76 -0.02 0.44 -0.62 0.00 0.00 178.44 179.00 1rkr h ASP 69 N 1.06 0.00 -0.01 1.25 3.32 -2.02 0.62 116.42 120.65 1rkr h ASP 69 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1rkr h ASP 69 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1rkr h ASP 69 CO -0.04 0.02 -0.13 0.59 -1.72 0.00 0.00 179.24 177.95 1rkr n ASN 70 N -3.22 2.42 -1.88 6.45 3.02 -0.73 -4.95 115.26 116.37 1rkr n ASN 70 Ca -0.02 -1.74 -0.13 0.00 -0.03 0.00 0.00 54.58 52.66 1rkr n ASN 70 Cb 0.15 0.13 0.02 0.00 -0.61 0.00 0.00 39.78 39.46 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 0.72 -4.27 -4.15 6.41 3.02 0.21 -3.11 115.26 114.08 1rkr n ASN 71 Ca 0.13 -0.17 -0.35 0.00 -0.03 0.00 0.00 54.58 54.17 1rkr n ASN 71 Cb 0.52 -3.15 -0.02 0.00 -0.61 0.00 0.00 39.78 36.52 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 -4.00 -1.85 -4.03 3.10 4.01 -0.67 -4.60 117.16 109.12 1rkr n TYR 72 Ca -0.07 0.82 -0.17 0.00 -0.16 0.00 0.00 57.90 58.32 1rkr n TYR 72 Cb 0.57 -3.18 -0.16 0.00 -0.31 0.00 0.00 39.34 36.26 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 -3.31 0.31 0.17 -0.72 1.01 -1.18 -4.29 120.40 112.38 1rkr s VAL 73 Ca 0.70 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 1rkr s VAL 73 Cb -0.38 -0.36 -0.08 0.00 0.00 0.00 0.00 36.38 35.56 1rkr s VAL 73 CO 0.91 0.16 1.28 -0.75 0.00 0.00 0.00 175.10 176.70 1rkr s LYS 74 N 0.78 4.41 0.22 2.72 2.20 -1.26 -4.84 119.74 123.97 1rkr s LYS 74 Ca -0.09 1.98 -0.30 0.00 -0.36 0.00 0.00 55.97 57.20 1rkr s LYS 74 Cb -0.12 -3.23 -0.10 0.00 -1.51 0.00 0.00 37.83 32.87 1rkr s LYS 74 CO -0.01 -0.24 1.46 0.21 -0.36 0.00 0.00 175.35 176.42 1rkr s LYS 75 N 0.16 4.26 -1.89 4.03 2.20 -1.26 -2.00 119.74 125.24 1rkr s LYS 75 Ca 0.57 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 58.47 1rkr s LYS 75 Cb -0.35 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 1rkr s LYS 75 CO 0.36 -0.46 0.00 -0.25 -0.36 0.00 0.00 175.35 174.64 1rkr n ASP 76 N 2.83 -5.75 -4.63 1.43 8.00 -1.26 -4.92 116.55 112.25 1rkr n ASP 76 Ca 0.09 0.14 -0.43 0.00 0.71 0.00 0.00 54.79 55.30 1rkr n ASP 76 Cb 0.40 -4.85 -0.03 0.00 -0.02 0.00 0.00 41.12 36.62 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 -2.29 6.13 0.50 -2.24 -1.08 -0.84 -4.83 116.67 112.01 1rkr s ASP 77 Ca 0.00 2.08 0.33 0.00 -0.52 0.00 0.00 52.55 54.44 1rkr s ASP 77 Cb 0.00 -2.52 1.77 0.00 -1.46 0.00 0.00 42.92 40.71 1rkr s ASP 77 CO 0.00 -1.40 2.02 0.00 0.52 0.00 0.00 175.17 176.32 1rkr h ALA 78 N 11.99 1.00 0.16 3.66 0.00 -1.91 -2.34 119.26 131.82 1rkr h ALA 78 Ca -0.41 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.20 1rkr h ALA 78 Cb 1.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1rkr h ALA 78 CO 0.97 0.00 -1.33 0.00 0.00 0.00 0.00 179.25 178.89 1rkr h ARG 79 N 0.00 0.34 -6.35 0.00 3.08 -1.97 -3.44 114.38 106.03 1rkr h ARG 79 Ca 0.00 -0.58 -0.57 0.00 0.07 0.00 0.00 59.98 58.90 1rkr h ARG 79 Cb 0.06 0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1rkr h ARG 79 CO 0.00 1.27 1.08 0.08 -1.07 0.00 0.00 179.97 181.33 1rkr s VAL 80 N -2.64 3.85 0.14 2.04 1.01 -0.88 -4.47 120.40 119.44 1rkr s VAL 80 Ca -0.06 0.93 -0.05 0.00 0.00 0.00 0.00 61.98 62.80 1rkr s VAL 80 Cb 0.06 -3.94 -0.15 0.00 0.00 0.00 0.00 36.38 32.35 1rkr s VAL 80 CO 0.90 -0.45 1.34 0.40 0.00 0.00 0.00 175.10 177.29 1rkr h ILE 81 N 6.22 1.37 -1.68 2.22 2.04 -1.44 -3.47 117.51 122.77 1rkr h ILE 81 Ca -0.30 -2.26 0.07 0.00 1.00 0.00 0.00 64.86 63.36 1rkr h ILE 81 Cb 1.13 2.25 -0.22 0.00 -0.74 0.00 0.00 36.82 39.24 1rkr h ILE 81 CO 1.03 0.68 0.50 0.00 0.00 0.00 0.00 178.15 180.37 1rkr s ALA 82 N -3.46 -1.90 -0.03 1.87 0.00 -1.24 -5.00 121.76 112.00 1rkr s ALA 82 Ca -0.07 1.50 -0.29 0.00 0.00 0.00 0.00 51.96 53.11 1rkr s ALA 82 Cb 0.09 -0.52 0.09 0.00 0.00 0.00 0.00 23.12 22.78 1rkr s ALA 82 CO 0.87 -0.35 0.77 -3.38 0.00 0.00 0.00 175.76 173.66 1rkr s HIS 83 N -1.32 -0.52 0.69 0.00 -3.43 -1.26 -1.11 115.29 108.33 1rkr s HIS 83 Ca -0.02 0.73 0.00 0.00 -0.80 0.00 0.00 55.06 54.97 1rkr s HIS 83 Cb -0.00 0.47 0.11 0.00 -1.43 0.00 0.00 32.58 31.72 1rkr s HIS 83 CO 0.02 -0.58 0.95 0.95 -2.00 0.00 0.00 174.74 174.07 1rkr s THR 84 N -1.92 2.21 0.76 -5.38 -4.23 -0.64 -4.89 115.64 101.55 1rkr s THR 84 Ca -0.04 -0.63 -0.11 0.00 -1.18 0.00 0.00 61.69 59.72 1rkr s THR 84 Cb -0.00 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 71.30 1rkr s THR 84 CO 0.01 0.00 1.08 -0.54 -0.54 0.00 0.00 174.62 174.63 1rkr s LYS 85 N -5.05 2.40 0.09 3.99 1.02 -1.26 -4.66 119.74 116.27 1rkr s LYS 85 Ca 0.65 0.78 -0.30 0.00 0.02 0.00 0.00 55.97 57.12 1rkr s LYS 85 Cb -0.06 -1.94 -0.05 0.00 -0.52 0.00 0.00 37.83 35.25 1rkr s LYS 85 CO 0.43 -1.43 1.00 0.08 -0.92 0.00 0.00 175.35 174.50 1rkr s VAL 86 N -3.10 4.47 0.17 3.17 1.01 -1.26 -4.23 120.40 120.63 1rkr s VAL 86 Ca 0.60 1.97 0.07 0.00 0.00 0.00 0.00 61.98 64.62 1rkr s VAL 86 Cb -0.14 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1rkr s VAL 86 CO 0.55 0.27 -0.15 0.27 0.00 0.00 0.00 175.10 176.04 1rkr s ILE 87 N 0.25 1.59 0.13 2.22 -4.36 0.26 -4.90 121.20 116.39 1rkr s ILE 87 Ca 0.49 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.88 1rkr s ILE 87 Cb -0.24 -1.86 0.01 0.00 1.25 0.00 0.00 42.46 41.63 1rkr s ILE 87 CO 0.30 -0.52 0.10 0.61 0.24 0.00 0.00 174.94 175.68 1rkr n GLY 88 N -0.01 2.93 3.70 6.27 0.00 -1.26 -2.17 105.19 114.65 1rkr n GLY 88 Ca -0.11 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 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 3.43 1.55 1.40 -0.02 0.00 0.78 -2.02 105.19 110.32 1rkr n GLY 89 Ca -0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 4.04 0.59 3.70 -0.02 0.00 -0.55 -4.91 105.19 108.04 1rkr n GLY 90 Ca 0.17 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.07 2.18 -0.06 1.61 2.02 -0.85 -4.99 118.70 117.53 1rkr s GLU 91 Ca 0.00 -1.83 -0.02 0.00 0.02 0.00 0.00 54.97 53.14 1rkr s GLU 91 Cb 0.00 -1.95 0.04 0.00 0.10 0.00 0.00 34.13 32.32 1rkr s GLU 91 CO 0.00 -0.04 0.13 0.99 0.02 0.00 0.00 175.26 176.36 1rkr s THR 92 N -2.58 -0.07 0.17 3.63 2.01 -1.26 -1.41 115.64 116.13 1rkr s THR 92 Ca 0.39 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.67 1rkr s THR 92 Cb 0.03 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 1rkr s THR 92 CO 0.21 0.09 -0.14 -0.62 -0.69 0.00 0.00 174.62 173.47 1rkr s ASP 93 N 1.29 2.28 0.11 3.53 2.15 -0.33 -4.99 116.67 120.71 1rkr s ASP 93 Ca -0.08 -0.95 0.07 0.00 0.43 0.00 0.00 52.55 52.02 1rkr s ASP 93 Cb -0.12 -0.10 -0.03 0.00 -0.30 0.00 0.00 42.92 42.37 1rkr s ASP 93 CO -0.05 -0.18 -0.16 -0.44 -0.17 0.00 0.00 175.17 174.16 1rkr s SER 94 N -3.01 2.12 -0.03 -0.34 0.01 -1.26 -0.34 113.70 110.85 1rkr s SER 94 Ca 0.17 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.72 1rkr s SER 94 Cb -0.02 -0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.14 1rkr s SER 94 CO 0.05 -0.06 -0.03 0.54 0.41 0.00 0.00 173.24 174.15 1rkr s VAL 95 N -1.61 0.37 -0.11 3.43 0.11 -0.34 -4.88 120.40 117.36 1rkr s VAL 95 Ca 0.06 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 1rkr s VAL 95 Cb -0.08 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.36 1rkr s VAL 95 CO 0.03 0.17 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.94 1rkr s THR 96 N 0.71 2.94 0.21 5.04 2.01 -1.26 -0.59 115.64 124.69 1rkr s THR 96 Ca -0.08 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.23 1rkr s THR 96 Cb -0.11 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 1rkr s THR 96 CO -0.01 0.54 -0.00 0.72 -0.69 0.00 0.00 174.62 175.18 1rkr s PHE 97 N 0.13 1.41 -0.16 4.92 -0.71 -0.54 -4.94 117.98 118.09 1rkr s PHE 97 Ca -0.07 -0.96 -0.26 0.00 -1.04 0.00 0.00 56.93 54.59 1rkr s PHE 97 Cb -0.15 -0.81 -0.01 0.00 -1.21 0.00 0.00 43.02 40.84 1rkr s PHE 97 CO 0.05 -0.11 0.88 -0.51 -1.34 0.00 0.00 175.22 174.19 1rkr s ASP 98 N -3.25 7.02 0.51 1.98 1.11 -1.26 -0.94 116.67 121.83 1rkr s ASP 98 Ca 0.27 1.26 0.16 0.00 0.18 0.00 0.00 52.55 54.41 1rkr s ASP 98 Cb 0.06 -2.48 1.23 0.00 1.07 0.00 0.00 42.92 42.80 1rkr s ASP 98 CO 0.07 -0.42 2.13 0.58 1.18 0.00 0.00 175.17 178.70 1rkr h VAL 99 N 5.18 1.02 0.00 -1.27 2.07 -1.35 -1.33 116.25 120.58 1rkr h VAL 99 Ca -0.29 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1rkr h VAL 99 Cb 1.13 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1rkr h VAL 99 CO 0.85 0.02 0.00 -1.54 0.02 0.00 0.00 177.57 176.92 1rkr n SER 100 N -4.51 0.50 0.03 0.57 3.41 -1.26 -0.74 113.62 111.61 1rkr n SER 100 Ca -0.03 0.73 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 1rkr n SER 100 Cb 0.11 -0.80 0.49 0.00 -0.26 0.00 0.00 64.21 63.75 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 -2.17 0.05 -3.52 4.33 5.02 -0.50 -4.79 118.16 116.58 1rkr n LYS 101 Ca -0.01 0.14 -0.36 0.00 -2.02 0.00 0.00 58.31 56.05 1rkr n LYS 101 Cb 0.03 -1.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.40 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 -3.35 4.24 -0.30 -0.35 1.43 0.08 -5.07 118.68 115.35 1rkr s LEU 102 Ca 0.11 0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 53.59 1rkr s LEU 102 Cb 0.14 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1rkr s LEU 102 CO 0.45 0.08 0.23 0.00 0.23 0.00 0.00 176.35 177.35 1rkr s ALA 103 N 0.54 3.52 0.61 4.21 0.00 -1.26 -5.07 121.76 124.32 1rkr s ALA 103 Ca 0.17 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 50.78 1rkr s ALA 103 Cb -0.13 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 1rkr s ALA 103 CO 0.04 -0.73 1.23 0.00 0.00 0.00 0.00 175.76 176.30 1rkr s ALA 104 N 1.79 2.49 0.00 0.00 0.00 -1.26 -1.66 121.76 123.11 1rkr s ALA 104 Ca 0.08 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1rkr s ALA 104 Cb -0.16 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1rkr s ALA 104 CO 0.11 -1.30 0.00 0.41 0.00 0.00 0.00 175.76 174.98 1rkr n GLY 105 N 0.58 1.89 3.54 0.00 0.00 -1.26 -5.02 105.19 104.92 1rkr n GLY 105 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1rkr n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rkr s GLU 106 N -0.46 2.49 -0.01 1.61 0.41 -0.67 -5.12 118.70 116.97 1rkr s GLU 106 Ca 0.00 -0.73 0.05 0.00 -0.41 0.00 0.00 54.97 53.88 1rkr s GLU 106 Cb 0.00 -2.43 -0.03 0.00 -1.78 0.00 0.00 34.13 29.89 1rkr s GLU 106 CO 0.00 0.61 -0.15 0.34 -0.49 0.00 0.00 175.26 175.57 1rkr s ASP 107 N -1.16 4.02 -0.06 -0.19 -1.08 -1.26 -4.81 116.67 112.13 1rkr s ASP 107 Ca 0.15 -0.28 0.03 0.00 -0.52 0.00 0.00 52.55 51.92 1rkr s ASP 107 Cb -0.11 -0.79 -0.03 0.00 -1.46 0.00 0.00 42.92 40.54 1rkr s ASP 107 CO 0.04 0.30 -0.13 -0.31 0.52 0.00 0.00 175.17 175.60 1rkr s TYR 108 N -0.85 2.76 -0.16 -5.34 2.02 -1.06 -2.00 117.35 112.72 1rkr s TYR 108 Ca 0.14 -0.14 -0.08 0.00 -0.37 0.00 0.00 57.07 56.61 1rkr s TYR 108 Cb -0.11 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 1rkr s TYR 108 CO 0.04 0.20 0.13 0.00 -1.57 0.00 0.00 175.55 174.34 1rkr s ALA 109 N -0.68 3.75 0.24 3.71 0.00 -0.69 -0.61 121.76 127.47 1rkr s ALA 109 Ca 0.10 -0.67 0.09 0.00 0.00 0.00 0.00 51.96 51.48 1rkr s ALA 109 Cb -0.11 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 1rkr s ALA 109 CO 0.01 0.38 -0.00 1.52 0.00 0.00 0.00 175.76 177.67 1rkr s TYR 110 N -0.31 2.74 0.19 0.00 -0.85 -0.34 -2.07 117.35 116.71 1rkr s TYR 110 Ca 0.11 -0.20 -0.13 0.00 -0.52 0.00 0.00 57.07 56.33 1rkr s TYR 110 Cb -0.12 -1.25 0.05 0.00 0.38 0.00 0.00 41.96 41.02 1rkr s TYR 110 CO 0.01 0.58 0.65 1.97 -1.52 0.00 0.00 175.55 177.24 1rkr n PHE 111 N -0.67 -1.47 -5.09 -3.49 -1.74 -0.26 -1.12 117.46 103.61 1rkr n PHE 111 Ca -0.08 -1.06 -0.32 0.00 -0.56 0.00 0.00 57.45 55.43 1rkr n PHE 111 Cb 0.58 0.52 -0.16 0.00 1.52 0.00 0.00 39.48 41.94 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 3.51 3.32 -4.74 0.00 3.41 -1.26 -2.81 113.62 115.03 1rkr n SER 113 Ca -0.19 -1.99 -0.41 0.00 -0.26 0.00 0.00 58.87 56.02 1rkr n SER 113 Cb 0.53 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 1rkr n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1rkr s PHE 114 N -1.23 3.00 -0.51 7.33 2.19 -1.26 -4.38 117.98 123.13 1rkr s PHE 114 Ca 0.41 1.00 -0.33 0.00 0.33 0.00 0.00 56.93 58.35 1rkr s PHE 114 Cb 0.22 -3.84 -0.16 0.00 -1.31 0.00 0.00 43.02 37.93 1rkr s PHE 114 CO 0.29 -2.74 1.86 -2.30 1.83 0.00 0.00 175.22 174.17 1rkr n PRO 115 N 2.35 0.00 0.00 10.12 -0.02 -1.26 -0.70 135.00 145.49 1rkr n PRO 115 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1rkr n PRO 115 Cb 0.40 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 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 5.91 2.61 0.23 -1.23 0.00 -1.26 -4.92 105.19 106.53 1rkr n GLY 116 Ca 0.47 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 0.00 1.61 3.86 -1.15 -3.08 115.15 116.38 1rkr h HIS 117 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1rkr h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1rkr h HIS 117 CO 0.00 0.23 -0.01 0.27 0.86 0.00 0.00 177.93 179.28 1rkr h PHE 118 N 0.00 0.00 -0.11 2.45 -0.00 -1.71 0.27 116.94 117.84 1rkr h PHE 118 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.97 57.91 1rkr h PHE 118 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.46 1rkr h PHE 118 CO 0.00 0.01 -0.22 0.00 -0.00 0.00 0.00 178.31 178.10 1rkr h ALA 119 N 1.99 1.44 0.00 12.09 0.00 -1.88 -3.27 119.26 129.63 1rkr h ALA 119 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1rkr h ALA 119 Cb 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1rkr h ALA 119 CO 0.00 0.40 -1.36 1.28 0.00 0.00 0.00 179.25 179.57 1rkr n LEU 120 N -4.21 0.00 -4.17 0.00 7.99 -0.49 -4.85 117.00 111.27 1rkr n LEU 120 Ca -0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 56.01 55.59 1rkr n LEU 120 Cb 0.32 0.02 -0.07 0.00 -0.11 0.00 0.00 43.42 43.59 1rkr n LEU 120 CO 0.39 0.02 0.21 -0.04 -1.51 0.00 0.00 177.39 176.46 1rkr s MET 121 N -2.47 2.99 0.01 3.23 -1.94 0.82 -4.62 119.30 117.32 1rkr s MET 121 Ca -0.03 -2.65 -0.13 0.00 -1.71 0.00 0.00 55.69 51.18 1rkr s MET 121 Cb 0.04 -3.97 0.02 0.00 2.01 0.00 0.00 34.83 32.93 1rkr s MET 121 CO 0.30 -1.22 0.27 0.21 -0.01 0.00 0.00 175.02 174.58 1rkr s LYS 122 N -0.23 0.68 0.12 2.03 2.36 -1.26 -2.11 119.74 121.34 1rkr s LYS 122 Ca 0.19 -0.34 -0.24 0.00 -2.55 0.00 0.00 55.97 53.03 1rkr s LYS 122 Cb -0.16 0.30 0.08 0.00 -1.05 0.00 0.00 37.83 37.00 1rkr s LYS 122 CO -0.06 -0.20 1.12 0.20 1.55 0.00 0.00 175.35 177.96 1rkr s GLY 123 N -1.60 0.07 -0.03 5.54 0.00 -0.28 -4.86 107.32 106.16 1rkr s GLY 123 Ca -0.11 -0.27 0.07 0.00 0.00 0.00 0.00 44.72 44.42 1rkr s GLY 123 CO 0.01 3.78 -0.25 -1.34 0.00 0.00 0.00 173.10 175.30 1rkr s VAL 124 N -2.04 2.17 -0.08 1.40 -7.23 -0.72 -1.20 120.40 112.69 1rkr s VAL 124 Ca 0.25 -1.06 -0.01 0.00 -1.81 0.00 0.00 61.98 59.36 1rkr s VAL 124 Cb -0.02 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 1rkr s VAL 124 CO 0.04 0.58 -0.04 -0.22 -0.31 0.00 0.00 175.10 175.15 1rkr s LEU 125 N -0.59 3.35 -0.08 1.32 0.20 0.22 -1.81 118.68 121.28 1rkr s LEU 125 Ca 0.09 0.04 -0.14 0.00 0.69 0.00 0.00 54.13 54.81 1rkr s LEU 125 Cb -0.10 -1.75 0.03 0.00 -0.43 0.00 0.00 46.19 43.94 1rkr s LEU 125 CO -0.01 0.36 0.35 -1.59 -0.29 0.00 0.00 176.35 175.17 1rkr s LYS 126 N -0.76 0.55 0.25 1.98 -2.85 -1.06 -2.55 119.74 115.30 1rkr s LYS 126 Ca 0.12 0.21 -0.30 0.00 -1.00 0.00 0.00 55.97 55.00 1rkr s LYS 126 Cb -0.11 0.25 -0.09 0.00 -2.06 0.00 0.00 37.83 35.82 1rkr s LYS 126 CO 0.02 -0.11 1.05 -1.17 0.10 0.00 0.00 175.35 175.24 1rkr s LEU 127 N -0.47 4.57 0.11 2.77 2.96 -1.26 -1.20 118.68 126.16 1rkr s LEU 127 Ca -0.06 2.15 0.03 0.00 -0.22 0.00 0.00 54.13 56.02 1rkr s LEU 127 Cb -0.04 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1rkr s LEU 127 CO 0.02 -0.07 -0.08 0.54 -1.32 0.00 0.00 176.35 175.45 1rkr s VAL 128 N -1.02 0.83 0.00 1.68 0.11 0.14 -4.88 120.40 117.26 1rkr s VAL 128 Ca 0.44 -1.96 0.00 0.00 -2.93 0.00 0.00 61.98 57.53 1rkr s VAL 128 Cb -0.30 -1.72 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1rkr s VAL 128 CO 0.37 -0.83 0.00 -0.90 -3.33 0.00 0.00 175.10 170.41