#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kym n ALA -1 N 0.00 -2.83 -2.20 3.17 0.00 -1.26 -4.88 120.51 112.51 2kym n ALA -1 Ca 0.00 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.35 2kym n ALA -1 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 2kym n ALA -1 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kym s PRO 1 N -3.57 4.32 -0.18 0.00 0.04 -1.26 -5.02 135.00 129.33 2kym s PRO 1 Ca 0.56 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.61 2kym s PRO 1 Cb -0.20 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 30.99 2kym s PRO 1 CO 0.68 -0.46 -0.07 -1.17 0.04 0.00 0.00 177.00 176.02 2kym s LEU 2 N 1.43 2.89 -0.01 -3.56 1.98 -1.26 -4.74 118.68 115.40 2kym s LEU 2 Ca 0.64 -0.33 -0.01 0.00 -2.89 0.00 0.00 54.13 51.54 2kym s LEU 2 Cb -0.35 -1.70 0.00 0.00 0.66 0.00 0.00 46.19 44.80 2kym s LEU 2 CO 0.29 0.07 0.03 -0.36 -1.89 0.00 0.00 176.35 174.50 2kym s PHE 3 N 0.91 -0.03 0.18 5.38 0.40 -1.25 -3.09 117.98 120.48 2kym s PHE 3 Ca -0.01 0.09 0.07 0.00 -0.60 0.00 0.00 56.93 56.47 2kym s PHE 3 Cb -0.15 0.01 -0.05 0.00 0.51 0.00 0.00 43.02 43.35 2kym s PHE 3 CO 0.01 -0.02 -0.13 0.00 0.70 0.00 0.00 175.22 175.77 2kym s ALA 4 N 0.04 1.81 -0.12 5.36 0.00 -0.56 -0.08 121.76 128.21 2kym s ALA 4 Ca -0.00 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.37 2kym s ALA 4 Cb -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2kym s ALA 4 CO -0.00 0.02 -0.10 0.54 0.00 0.00 0.00 175.76 176.22 2kym s VAL 5 N -3.02 1.22 0.15 0.00 0.11 -0.09 -0.92 120.40 117.86 2kym s VAL 5 Ca 0.20 -0.42 -0.31 0.00 -2.93 0.00 0.00 61.98 58.51 2kym s VAL 5 Cb -0.00 -1.19 -0.10 0.00 -1.53 0.00 0.00 36.38 33.56 2kym s VAL 5 CO 0.05 0.40 1.65 0.42 -3.33 0.00 0.00 175.10 174.29 2kym s THR 6 N 1.54 2.55 -0.43 5.04 -4.23 -1.05 -1.28 115.64 117.79 2kym s THR 6 Ca 0.03 0.31 0.20 0.00 -1.18 0.00 0.00 61.69 61.05 2kym s THR 6 Cb -0.13 -3.20 -0.27 0.00 1.34 0.00 0.00 72.50 70.25 2kym s THR 6 CO -0.08 0.02 0.61 0.18 -0.54 0.00 0.00 174.62 174.81 2kym n LEU 7 N 4.49 0.41 -4.11 4.79 4.77 -1.22 -0.05 117.00 126.09 2kym n LEU 7 Ca 0.15 -0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 55.81 2kym n LEU 7 Cb 0.38 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 2kym n LEU 7 CO 0.63 0.10 -0.38 -0.31 -1.33 0.00 0.00 177.39 176.10 2kym s TYR 8 N -3.15 0.69 -0.61 -1.77 1.51 -1.26 -4.69 117.35 108.07 2kym s TYR 8 Ca -0.01 -0.87 -0.28 0.00 -1.01 0.00 0.00 57.07 54.90 2kym s TYR 8 Cb 0.14 -0.43 0.03 0.00 -0.11 0.00 0.00 41.96 41.59 2kym s TYR 8 CO 0.82 -0.22 1.21 -2.00 -1.11 0.00 0.00 175.55 174.25 2kym s GLU 9 N -3.33 3.46 -0.59 -0.62 2.12 -1.26 -3.98 118.70 114.50 2kym s GLU 9 Ca 0.05 0.16 -0.20 0.00 0.36 0.00 0.00 54.97 55.34 2kym s GLU 9 Cb 0.03 -4.04 0.09 0.00 0.26 0.00 0.00 34.13 30.46 2kym s GLU 9 CO -0.05 -1.76 0.73 0.12 -0.54 0.00 0.00 175.26 173.76 2kym s PHE 10 N 5.08 2.96 -0.19 5.30 5.36 -0.31 -4.97 117.98 131.21 2kym s PHE 10 Ca 0.41 -0.81 -0.29 0.00 -0.96 0.00 0.00 56.93 55.28 2kym s PHE 10 Cb -0.08 -3.97 0.00 0.00 -0.34 0.00 0.00 43.02 38.63 2kym s PHE 10 CO 0.24 -1.30 1.06 0.15 -1.46 0.00 0.00 175.22 173.90 2kym s LYS 11 N 2.90 4.30 0.48 10.12 3.01 -1.26 -2.41 119.74 136.88 2kym s LYS 11 Ca 0.14 1.41 -0.22 0.00 -1.01 0.00 0.00 55.97 56.29 2kym s LYS 11 Cb -0.22 -3.63 -0.07 0.00 -1.01 0.00 0.00 37.83 32.91 2kym s LYS 11 CO 0.08 -0.55 1.18 0.00 0.51 0.00 0.00 175.35 176.57 2kym s ALA 12 N 2.90 2.92 -0.03 5.17 0.00 -1.26 -4.96 121.76 126.50 2kym s ALA 12 Ca 0.47 0.97 0.04 0.00 0.00 0.00 0.00 51.96 53.43 2kym s ALA 12 Cb -0.17 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 2kym s ALA 12 CO 0.10 -0.76 0.04 -0.85 0.00 0.00 0.00 175.76 174.29 2kym n GLU 13 N -0.66 2.29 -4.66 0.00 0.28 -1.26 -4.97 120.64 111.66 2kym n GLU 13 Ca 0.08 -0.01 -0.30 0.00 -0.16 0.00 0.00 57.16 56.77 2kym n GLU 13 Cb 0.48 -1.10 -0.08 0.00 1.43 0.00 0.00 31.44 32.18 2kym n GLU 13 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2kym s ARG 14 N -2.15 2.09 0.42 3.44 1.81 -1.26 -5.02 118.95 118.27 2kym s ARG 14 Ca -0.02 -2.32 0.20 0.00 -1.72 0.00 0.00 55.73 51.87 2kym s ARG 14 Cb 0.02 -1.13 0.92 0.00 -0.45 0.00 0.00 34.95 34.31 2kym s ARG 14 CO 0.16 -0.42 1.86 0.22 -0.68 0.00 0.00 175.30 176.43 2kym h ASP 15 N 1.53 0.00 0.75 0.23 3.58 -2.05 -2.77 116.42 117.69 2kym h ASP 15 Ca -0.40 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 56.85 2kym h ASP 15 Cb 1.30 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 2kym h ASP 15 CO 0.66 0.30 -0.92 -2.24 -2.88 0.00 0.00 179.24 174.16 2kym h ASP 16 N 0.00 0.14 -4.03 2.28 3.04 -1.96 -3.45 116.42 112.44 2kym h ASP 16 Ca -0.00 -0.13 -0.48 0.00 -3.24 0.00 0.00 57.03 53.18 2kym h ASP 16 Cb 0.67 -0.04 0.03 0.00 -1.04 0.00 0.00 39.33 38.94 2kym h ASP 16 CO 0.04 0.98 0.40 -1.61 -2.04 0.00 0.00 179.24 177.01 2kym s GLU 17 N -3.03 3.89 -0.06 4.15 0.41 -1.05 -3.72 118.70 119.29 2kym s GLU 17 Ca -0.01 1.45 0.05 0.00 -0.41 0.00 0.00 54.97 56.05 2kym s GLU 17 Cb 0.10 -2.25 -0.01 0.00 -1.78 0.00 0.00 34.13 30.19 2kym s GLU 17 CO 0.82 -0.37 -0.22 -1.17 -0.49 0.00 0.00 175.26 173.83 2kym s LEU 18 N -3.20 2.01 0.05 1.80 2.96 -1.26 -4.75 118.68 116.28 2kym s LEU 18 Ca 0.64 -0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 53.80 2kym s LEU 18 Cb -0.19 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 2kym s LEU 18 CO 0.24 0.20 0.95 1.51 -1.32 0.00 0.00 176.35 177.93 2kym s ASP 19 N -0.04 7.41 -0.03 3.68 -4.77 -1.26 -4.35 116.67 117.32 2kym s ASP 19 Ca -0.05 1.70 -0.09 0.00 -3.30 0.00 0.00 52.55 50.81 2kym s ASP 19 Cb -0.13 -2.57 0.01 0.00 -1.09 0.00 0.00 42.92 39.14 2kym s ASP 19 CO 0.04 -0.15 0.21 0.54 0.70 0.00 0.00 175.17 176.50 2kym s VAL 20 N 0.47 0.05 0.26 2.11 0.11 -1.01 -4.99 120.40 117.40 2kym s VAL 20 Ca 0.49 -0.44 0.08 0.00 -2.93 0.00 0.00 61.98 59.18 2kym s VAL 20 Cb -0.22 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 2kym s VAL 20 CO 0.28 -0.24 0.15 -0.44 -3.33 0.00 0.00 175.10 171.52 2kym s SER 21 N -0.93 5.24 0.03 3.54 0.01 -1.26 -1.17 113.70 119.16 2kym s SER 21 Ca -0.10 -0.37 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 2kym s SER 21 Cb -0.05 -1.23 -0.06 0.00 0.21 0.00 0.00 66.02 64.89 2kym s SER 21 CO 0.02 -0.04 1.43 -2.16 0.41 0.00 0.00 173.24 172.89 2kym s PRO 22 N -3.80 4.28 0.00 12.44 0.04 -1.26 -3.05 135.00 143.65 2kym s PRO 22 Ca 0.33 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2kym s PRO 22 Cb -0.07 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2kym s PRO 22 CO 0.24 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2kym n GLY 23 N 3.66 0.80 3.95 0.56 0.00 0.93 -4.97 105.19 110.13 2kym n GLY 23 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 2kym n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kym s GLU 24 N -0.55 3.11 -0.20 1.61 0.41 -1.17 -4.93 118.70 116.98 2kym s GLU 24 Ca 0.00 -0.38 -0.03 0.00 -0.41 0.00 0.00 54.97 54.15 2kym s GLU 24 Cb 0.00 -2.53 -0.01 0.00 -1.78 0.00 0.00 34.13 29.82 2kym s GLU 24 CO 0.00 -0.28 -0.08 -0.80 -0.49 0.00 0.00 175.26 173.62 2kym s ASN 25 N -4.20 4.12 0.15 -0.19 -0.87 -1.26 -2.53 114.94 110.15 2kym s ASN 25 Ca 0.48 -0.40 0.10 0.00 -1.57 0.00 0.00 52.86 51.46 2kym s ASN 25 Cb -0.10 -1.69 -0.04 0.00 -0.02 0.00 0.00 41.25 39.40 2kym s ASN 25 CO 0.39 0.02 -0.19 -0.76 -2.57 0.00 0.00 177.10 173.99 2kym s LEU 26 N 1.23 2.65 -0.38 0.60 2.01 -0.09 -3.38 118.68 121.33 2kym s LEU 26 Ca 0.03 -0.65 -0.14 0.00 0.01 0.00 0.00 54.13 53.38 2kym s LEU 26 Cb -0.14 -1.45 0.00 0.00 0.01 0.00 0.00 46.19 44.61 2kym s LEU 26 CO -0.03 0.15 0.28 -0.55 1.01 0.00 0.00 176.35 177.22 2kym s SER 27 N -2.37 6.09 0.32 2.29 0.15 -0.41 -1.49 113.70 118.28 2kym s SER 27 Ca 0.19 -0.66 -0.27 0.00 0.70 0.00 0.00 55.95 55.92 2kym s SER 27 Cb -0.10 -2.15 -0.09 0.00 -1.71 0.00 0.00 66.02 61.97 2kym s SER 27 CO 0.11 -0.36 1.00 -0.63 1.20 0.00 0.00 173.24 174.55 2kym s ILE 28 N 1.73 3.95 -0.01 6.45 1.01 -1.18 -0.91 121.20 132.23 2kym s ILE 28 Ca 0.06 1.69 -0.00 0.00 0.00 0.00 0.00 60.65 62.40 2kym s ILE 28 Cb -0.18 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 2kym s ILE 28 CO 0.10 0.20 -0.01 0.00 0.00 0.00 0.00 174.94 175.23 2kym s ALA 30 N -2.03 -0.86 0.44 0.00 0.00 -1.26 -4.44 121.76 113.61 2kym s ALA 30 Ca -0.02 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.38 2kym s ALA 30 Cb 0.01 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 2kym s ALA 30 CO 0.03 -0.99 0.11 -3.38 0.00 0.00 0.00 175.76 171.52 2kym s HIS 31 N -3.19 1.79 -0.29 0.00 -0.00 -0.97 -1.04 115.29 111.59 2kym s HIS 31 Ca 0.14 -1.23 -0.03 0.00 -0.00 0.00 0.00 55.06 53.94 2kym s HIS 31 Cb -0.05 -1.26 0.10 0.00 -0.00 0.00 0.00 32.58 31.37 2kym s HIS 31 CO 0.10 -0.20 0.12 -0.47 -0.00 0.00 0.00 174.74 174.29 2kym s TYR 32 N -3.12 0.60 -1.49 0.38 5.04 -0.03 -1.48 117.35 117.25 2kym s TYR 32 Ca 0.18 -1.04 0.00 0.00 -2.44 0.00 0.00 57.07 53.77 2kym s TYR 32 Cb 0.02 -1.06 0.00 0.00 0.35 0.00 0.00 41.96 41.27 2kym s TYR 32 CO 0.12 -0.83 0.00 -3.47 -1.34 0.00 0.00 175.55 170.02 2kym n ASP 33 N 5.17 -4.46 -0.78 4.32 2.03 -1.26 -0.01 116.55 121.56 2kym n ASP 33 Ca -0.05 0.24 -0.10 0.00 0.52 0.00 0.00 54.79 55.39 2kym n ASP 33 Cb 0.42 -3.88 -0.04 0.00 -0.72 0.00 0.00 41.12 36.89 2kym n ASP 33 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kym n TYR 34 N -2.92 0.00 -0.12 -0.67 4.02 -1.26 -4.82 117.16 111.40 2kym n TYR 34 Ca -0.17 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.47 2kym n TYR 34 Cb 0.59 -2.40 -0.08 0.00 -0.02 0.00 0.00 39.34 37.42 2kym n TYR 34 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2kym n GLU 35 N -1.42 0.49 -4.15 -0.72 -0.58 0.99 -4.90 120.64 110.34 2kym n GLU 35 Ca -0.10 0.21 -0.23 0.00 -0.42 0.00 0.00 57.16 56.62 2kym n GLU 35 Cb 0.50 -1.32 -0.07 0.00 -0.57 0.00 0.00 31.44 29.98 2kym n GLU 35 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2kym s TRP 36 N -2.42 2.68 0.05 -0.32 0.52 -1.00 -2.50 118.94 115.95 2kym s TRP 36 Ca -0.32 -0.38 0.00 0.00 0.02 0.00 0.00 56.10 55.43 2kym s TRP 36 Cb 0.12 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.83 2kym s TRP 36 CO 0.41 0.38 -0.05 -0.06 0.02 0.00 0.00 176.95 177.65 2kym s PHE 37 N -2.43 0.58 -0.52 -1.98 0.40 0.11 -0.85 117.98 113.28 2kym s PHE 37 Ca 0.37 -0.81 -0.02 0.00 -0.60 0.00 0.00 56.93 55.87 2kym s PHE 37 Cb -0.02 -0.38 0.14 0.00 0.51 0.00 0.00 43.02 43.26 2kym s PHE 37 CO 0.22 -0.23 0.32 0.42 0.70 0.00 0.00 175.22 176.65 2kym s ILE 38 N -2.83 3.36 0.03 0.64 -1.09 -0.20 -1.53 121.20 119.58 2kym s ILE 38 Ca -0.00 -2.65 0.03 0.00 -2.23 0.00 0.00 60.65 55.80 2kym s ILE 38 Cb 0.00 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 2kym s ILE 38 CO -0.05 -0.79 -0.00 0.00 -1.23 0.00 0.00 174.94 172.87 2kym s ALA 39 N 0.38 3.28 0.18 9.38 0.00 -1.26 -0.75 121.76 132.97 2kym s ALA 39 Ca 0.14 -1.01 0.09 0.00 0.00 0.00 0.00 51.96 51.18 2kym s ALA 39 Cb -0.22 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 2kym s ALA 39 CO -0.04 0.67 -0.14 0.15 0.00 0.00 0.00 175.76 176.41 2kym s LYS 40 N -1.84 1.92 -0.13 0.00 1.02 -0.09 -3.72 119.74 116.90 2kym s LYS 40 Ca 0.22 -1.31 -0.29 0.00 0.02 0.00 0.00 55.97 54.60 2kym s LYS 40 Cb -0.12 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 2kym s LYS 40 CO 0.13 0.43 1.54 -1.25 -0.92 0.00 0.00 175.35 175.29 2kym s PRO 41 N -2.72 4.09 0.16 -1.68 0.04 -1.26 -1.29 135.00 132.34 2kym s PRO 41 Ca 0.23 1.92 0.20 0.00 0.04 0.00 0.00 61.00 63.39 2kym s PRO 41 Cb -0.09 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 2kym s PRO 41 CO 0.13 -0.93 1.00 0.82 0.04 0.00 0.00 177.00 178.07 2kym h ILE 42 N 5.70 0.23 0.12 0.56 2.04 -1.90 -3.40 117.51 120.87 2kym h ILE 42 Ca -0.35 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 2kym h ILE 42 Cb 1.15 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2kym h ILE 42 CO 0.97 0.13 -0.06 -1.13 0.00 0.00 0.00 178.15 178.06 2kym h ASN 43 N 0.00 -0.14 -2.28 1.72 -0.73 -1.90 -3.47 115.58 108.78 2kym h ASN 43 Ca -0.06 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 57.99 2kym h ASN 43 Cb 1.25 0.04 0.06 0.00 0.27 0.00 0.00 38.32 39.93 2kym h ASN 43 CO 0.02 0.02 0.08 -2.11 -0.37 0.00 0.00 177.43 175.07 2kym n ARG 43 N -3.12 -1.10 0.00 6.67 1.85 -1.26 -5.00 116.66 114.69 2kym n ARG 43 Ca -0.02 -0.57 0.00 0.00 -1.00 0.00 0.00 57.85 56.26 2kym n ARG 43 Cb 0.07 -0.46 0.00 0.00 -1.05 0.00 0.00 32.46 31.01 2kym n ARG 43 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2kym n LEU 44 N 0.00 0.00 -3.61 2.89 4.77 -1.26 -4.94 117.00 114.85 2kym n LEU 44 Ca 0.05 0.77 -0.06 0.00 -0.03 0.00 0.00 56.01 56.74 2kym n LEU 44 Cb 0.18 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 2kym n LEU 44 CO 0.13 -0.27 0.74 -0.83 -1.33 0.00 0.00 177.39 175.83 2kym s GLY 45 N -0.54 -0.37 0.00 -0.72 0.00 -1.26 -4.90 107.32 99.53 2kym s GLY 45 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.42 2kym s GLY 45 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.92 2kym n GLY 46 N -0.34 -1.86 3.62 0.20 0.00 -1.26 -4.92 105.19 100.63 2kym n GLY 46 Ca -0.07 0.85 -0.43 0.00 0.00 0.00 0.00 46.02 46.36 2kym n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kym s PRO 47 N 0.00 3.65 0.00 1.61 0.04 -1.26 -4.26 135.00 134.78 2kym s PRO 47 Ca 0.00 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2kym s PRO 47 Cb 0.00 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.46 2kym s PRO 47 CO 0.00 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 175.98 2kym n GLY 48 N 4.91 2.26 3.02 0.56 0.00 -1.24 -4.95 105.19 109.75 2kym n GLY 48 Ca 0.20 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2kym n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kym s LEU 49 N 0.00 0.34 -0.06 0.99 1.98 -1.24 -4.63 118.68 116.06 2kym s LEU 49 Ca 0.00 0.49 -0.03 0.00 -2.89 0.00 0.00 54.13 51.71 2kym s LEU 49 Cb 0.00 0.66 0.03 0.00 0.66 0.00 0.00 46.19 47.55 2kym s LEU 49 CO 0.00 -0.18 0.13 0.54 -1.89 0.00 0.00 176.35 174.95 2kym s VAL 50 N 1.44 -0.05 0.84 1.68 0.11 -0.58 -4.55 120.40 119.29 2kym s VAL 50 Ca -0.07 0.17 -0.11 0.00 -2.93 0.00 0.00 61.98 59.03 2kym s VAL 50 Cb -0.11 -0.21 0.10 0.00 -1.53 0.00 0.00 36.38 34.63 2kym s VAL 50 CO -0.08 0.07 1.09 -2.16 -3.33 0.00 0.00 175.10 170.69 2kym s PRO 51 N 1.05 1.67 0.52 1.54 0.04 -1.26 0.06 135.00 138.62 2kym s PRO 51 Ca -0.08 0.96 0.30 0.00 0.04 0.00 0.00 61.00 62.22 2kym s PRO 51 Cb -0.11 -1.85 1.27 0.00 0.04 0.00 0.00 34.50 33.85 2kym s PRO 51 CO -0.05 -1.99 1.95 0.28 0.04 0.00 0.00 177.00 177.23 2kym h VAL 52 N -1.37 0.22 -0.00 -0.36 2.07 -1.79 -2.23 116.25 112.79 2kym h VAL 52 Ca -0.47 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2kym h VAL 52 Cb 1.26 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2kym h VAL 52 CO 0.53 0.08 -0.00 -1.20 0.02 0.00 0.00 177.57 177.00 2kym n SER 53 N -3.23 0.07 -0.05 0.57 7.64 -1.26 -2.99 113.62 114.37 2kym n SER 53 Ca 0.00 -0.99 0.02 0.00 1.01 0.00 0.00 58.87 58.91 2kym n SER 53 Cb 0.33 -0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.55 2kym n SER 53 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2kym n TYR 54 N -0.96 0.00 -3.71 1.43 4.02 -0.84 -4.89 117.16 112.21 2kym n TYR 54 Ca 0.23 -0.50 -0.13 0.00 -0.01 0.00 0.00 57.90 57.49 2kym n TYR 54 Cb 0.13 -0.06 -0.10 0.00 -0.02 0.00 0.00 39.34 39.29 2kym n TYR 54 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2kym s VAL 55 N -1.20 -0.00 -0.22 -0.72 -7.23 -1.16 -3.38 120.40 106.48 2kym s VAL 55 Ca 0.07 0.01 -0.04 0.00 -1.81 0.00 0.00 61.98 60.21 2kym s VAL 55 Cb 0.06 -0.65 -0.01 0.00 0.56 0.00 0.00 36.38 36.35 2kym s VAL 55 CO 0.01 0.00 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.16 2kym s ARG 56 N 0.33 3.35 -0.32 4.82 3.52 -0.41 -4.78 118.95 125.46 2kym s ARG 56 Ca -0.01 -0.64 -0.28 0.00 -0.13 0.00 0.00 55.73 54.67 2kym s ARG 56 Cb -0.04 -3.01 -0.02 0.00 -1.56 0.00 0.00 34.95 30.32 2kym s ARG 56 CO -0.00 -0.21 1.89 0.42 -0.81 0.00 0.00 175.30 176.58 2kym s ILE 57 N 1.47 3.38 -0.06 4.11 -1.09 -1.26 -0.91 121.20 126.84 2kym s ILE 57 Ca 0.06 0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.87 2kym s ILE 57 Cb -0.14 -3.53 0.02 0.00 -1.58 0.00 0.00 42.46 37.22 2kym s ILE 57 CO -0.03 -0.35 -0.08 0.27 -1.23 0.00 0.00 174.94 173.52 2kym s ILE 58 N 7.32 0.83 0.10 2.92 -4.36 0.88 -4.51 121.20 124.39 2kym s ILE 58 Ca 0.83 -0.27 -0.31 0.00 -0.26 0.00 0.00 60.65 60.64 2kym s ILE 58 Cb -0.24 -0.81 -0.09 0.00 1.25 0.00 0.00 42.46 42.57 2kym s ILE 58 CO 0.33 0.30 1.67 -0.62 0.24 0.00 0.00 174.94 176.86 2kym s ASP 59 N 0.96 6.56 0.53 4.36 2.15 -1.22 -3.91 116.67 126.10 2kym s ASP 59 Ca -0.10 2.58 0.20 0.00 0.43 0.00 0.00 52.55 55.65 2kym s ASP 59 Cb -0.15 -2.57 1.33 0.00 -0.30 0.00 0.00 42.92 41.24 2kym s ASP 59 CO 0.00 -0.90 2.10 0.25 -0.17 0.00 0.00 175.17 176.46 2kym h LEU 60 N 8.15 0.00 -0.71 -1.34 5.85 -1.87 0.30 115.31 125.68 2kym h LEU 60 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2kym h LEU 60 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2kym h LEU 60 CO 0.93 0.00 -0.06 0.23 -0.34 0.00 0.00 178.44 179.20 2kym n MET 61 N -4.45 1.35 -2.75 1.25 0.00 -1.26 -4.59 117.12 106.66 2kym n MET 61 Ca 0.01 -0.71 -0.02 0.00 0.00 0.00 0.00 57.70 56.98 2kym n MET 61 Cb 0.26 -1.49 0.02 0.00 0.00 0.00 0.00 33.22 32.01 2kym n MET 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2kym s ASP 62 N -2.14 -0.67 0.00 7.83 -1.08 0.91 -5.00 116.67 116.51 2kym s ASP 62 Ca 0.35 -0.68 0.15 0.00 -0.52 0.00 0.00 52.55 51.85 2kym s ASP 62 Cb 0.21 0.87 0.70 0.00 -1.46 0.00 0.00 42.92 43.24 2kym s ASP 62 CO 0.39 -0.04 1.42 -0.81 0.52 0.00 0.00 175.17 176.65 2kym n PRO 63 N 3.02 0.14 0.00 4.34 -0.04 -0.36 -1.86 135.00 140.25 2kym n PRO 63 Ca 0.12 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 2kym n PRO 63 Cb 0.62 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.62 2kym n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kym n ALA 64 N -1.36 3.04 -0.07 0.55 0.00 -1.26 -3.62 120.51 117.80 2kym n ALA 64 Ca 0.06 -0.66 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 2kym n ALA 64 Cb 0.13 -0.77 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 2kym n ALA 64 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2kym h LYS 65 N 3.35 0.00 -0.57 0.00 3.64 -1.72 -3.36 116.57 117.90 2kym h LYS 65 Ca 0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 2kym h LYS 65 Cb 0.84 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.57 2kym h LYS 65 CO 0.00 0.75 0.15 0.66 -2.27 0.00 0.00 179.45 178.73 2kym n TYR 66 N -4.63 1.93 0.36 1.91 4.02 -1.26 -4.40 117.16 115.10 2kym n TYR 66 Ca -0.10 -1.13 0.12 0.00 -0.01 0.00 0.00 57.90 56.78 2kym n TYR 66 Cb 0.39 -0.57 0.25 0.00 -0.02 0.00 0.00 39.34 39.40 2kym n TYR 66 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kym h ALA 67 N 2.41 1.00 -0.49 -0.72 0.00 -1.71 -3.17 119.26 116.58 2kym h ALA 67 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2kym h ALA 67 Cb 2.03 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.76 2kym h ALA 67 CO 0.56 0.00 0.09 -1.13 0.00 0.00 0.00 179.25 178.77 2kym n SER 68 N -2.82 4.28 -4.87 0.00 3.41 -1.26 -4.99 113.62 107.37 2kym n SER 68 Ca 0.04 -3.19 -0.32 0.00 -0.26 0.00 0.00 58.87 55.14 2kym n SER 68 Cb 0.49 -0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 63.74 2kym n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kym s VAL 69 N -2.95 4.93 -1.02 -3.33 0.11 -1.20 -5.03 120.40 111.91 2kym s VAL 69 Ca 0.49 0.52 -0.12 0.00 -2.93 0.00 0.00 61.98 59.94 2kym s VAL 69 Cb 0.40 -3.63 0.24 0.00 -1.53 0.00 0.00 36.38 31.86 2kym s VAL 69 CO 0.10 -0.02 1.03 -1.81 -3.33 0.00 0.00 175.10 171.07 2kym s ASP 70 N -2.26 7.09 0.24 3.54 1.01 -1.26 -4.89 116.67 120.15 2kym s ASP 70 Ca 0.46 -3.18 -0.04 0.00 0.71 0.00 0.00 52.55 50.49 2kym s ASP 70 Cb -0.12 -2.24 0.45 0.00 1.01 0.00 0.00 42.92 42.03 2kym s ASP 70 CO 0.21 -0.45 1.72 0.71 0.21 0.00 0.00 175.17 177.57 2kym h THR 71 N 4.21 0.64 -0.96 -1.27 1.35 -1.90 0.09 112.91 115.07 2kym h THR 71 Ca 0.17 -0.14 0.13 0.00 -0.55 0.00 0.00 66.41 66.01 2kym h THR 71 Cb 0.93 0.19 -0.09 0.00 -1.73 0.00 0.00 68.15 67.46 2kym h THR 71 CO 0.95 0.08 0.59 0.22 -0.25 0.00 0.00 175.52 177.11 2kym h TYR 72 N 0.42 1.06 -2.16 4.73 3.20 -1.90 -3.40 116.97 118.93 2kym h TYR 72 Ca 0.41 0.03 -0.56 0.00 3.14 0.00 0.00 58.73 61.76 2kym h TYR 72 Cb 0.63 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2kym h TYR 72 CO -0.18 0.39 1.43 0.34 -1.64 0.00 0.00 178.16 178.50 2kym s ASP 73 N -5.62 5.41 0.55 -2.11 2.15 0.02 -4.82 116.67 112.25 2kym s ASP 73 Ca -0.12 1.41 0.29 0.00 0.43 0.00 0.00 52.55 54.55 2kym s ASP 73 Cb 0.22 -2.52 1.46 0.00 -0.30 0.00 0.00 42.92 41.79 2kym s ASP 73 CO 0.80 -2.07 1.93 0.08 -0.17 0.00 0.00 175.17 175.74 2kym h ARG 74 N 15.09 0.00 0.42 4.34 -0.00 -1.83 -1.31 114.38 131.09 2kym h ARG 74 Ca -0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.62 2kym h ARG 74 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 2kym h ARG 74 CO 1.04 0.00 -0.20 0.93 -0.00 0.00 0.00 179.97 181.74 2kym h GLU 75 N 0.00 -0.54 0.56 0.08 5.08 -1.90 -1.47 114.58 116.39 2kym h GLU 75 Ca 0.30 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 2kym h GLU 75 Cb 1.30 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2kym h GLU 75 CO -0.00 -0.23 -0.30 1.96 -1.00 0.00 0.00 179.01 179.43 2kym h GLN 76 N -0.91 -0.77 -0.75 2.33 1.08 -1.57 -1.77 115.11 112.75 2kym h GLN 76 Ca -0.06 0.05 0.19 0.00 -1.45 0.00 0.00 58.65 57.38 2kym h GLN 76 Cb 0.56 0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 28.12 2kym h GLN 76 CO 0.09 -0.52 0.52 -0.24 -0.95 0.00 0.00 178.83 177.74 2kym h VAL 77 N -0.80 0.69 0.29 -0.54 3.04 -1.38 -1.36 116.25 116.20 2kym h VAL 77 Ca -0.07 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.54 2kym h VAL 77 Cb 0.64 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 2kym h VAL 77 CO 0.10 0.03 -0.14 0.24 -1.01 0.00 0.00 177.57 176.79 2kym h MET 78 N 0.19 -0.38 -0.97 4.17 2.86 -0.70 -1.62 114.93 118.49 2kym h MET 78 Ca 0.37 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 58.14 2kym h MET 78 Cb 1.17 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.85 2kym h MET 78 CO -0.07 -0.05 0.62 0.87 1.06 0.00 0.00 176.91 179.34 2kym h LYS 79 N -0.76 0.96 0.39 1.72 1.57 -0.50 0.14 116.57 120.10 2kym h LYS 79 Ca -0.04 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2kym h LYS 79 Cb 0.50 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2kym h LYS 79 CO 0.07 0.64 -0.19 0.82 -0.57 0.00 0.00 179.45 180.22 2kym h ILE 80 N 0.99 0.60 -0.55 1.86 2.04 -1.25 0.66 117.51 121.87 2kym h ILE 80 Ca 0.46 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.96 2kym h ILE 80 Cb 0.40 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2kym h ILE 80 CO -0.21 0.07 0.36 0.40 0.00 0.00 0.00 178.15 178.77 2kym h ILE 81 N -0.74 1.13 -0.03 -0.67 2.04 -0.90 0.41 117.51 118.75 2kym h ILE 81 Ca -0.05 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2kym h ILE 81 Cb 0.51 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2kym h ILE 81 CO 0.09 0.13 -0.02 -0.78 0.00 0.00 0.00 178.15 177.57 2kym h ASP 82 N 0.73 0.06 -0.56 1.72 3.58 -0.61 0.18 116.42 121.52 2kym h ASP 82 Ca 0.20 -0.45 -0.02 0.00 0.42 0.00 0.00 57.03 57.18 2kym h ASP 82 Cb -0.07 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 2kym h ASP 82 CO -0.04 0.50 0.28 -0.33 -2.88 0.00 0.00 179.24 176.76 2kym h GLU 83 N -0.38 0.80 0.00 0.28 4.39 -0.55 -2.10 114.58 117.03 2kym h GLU 83 Ca 0.01 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2kym h GLU 83 Cb 0.48 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2kym h GLU 83 CO 0.01 0.65 0.00 0.74 -1.16 0.00 0.00 179.01 179.24 2kym h PHE 84 N 0.75 0.00 -5.07 4.33 -1.00 -0.95 -3.48 116.94 111.53 2kym h PHE 84 Ca 0.19 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.69 2kym h PHE 84 Cb 0.10 0.00 0.14 0.00 3.61 0.00 0.00 35.95 39.81 2kym h PHE 84 CO -0.00 0.00 -0.64 1.63 -1.61 0.00 0.00 178.31 177.68 2kym n LYS 85 N -2.81 -5.63 -2.58 1.51 4.76 0.50 -4.36 118.16 109.55 2kym n LYS 85 Ca 0.03 0.71 -0.42 0.00 -2.87 0.00 0.00 58.31 55.76 2kym n LYS 85 Cb 0.40 -5.33 -0.03 0.00 -1.84 0.00 0.00 35.03 28.22 2kym n LYS 85 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kym s ILE 86 N -3.30 4.49 0.85 -0.18 1.01 -0.42 -4.97 121.20 118.68 2kym s ILE 86 Ca 0.02 1.78 -0.11 0.00 0.00 0.00 0.00 60.65 62.35 2kym s ILE 86 Cb -0.01 -4.14 0.10 0.00 0.01 0.00 0.00 42.46 38.42 2kym s ILE 86 CO 0.61 0.13 1.09 -2.16 0.00 0.00 0.00 174.94 174.61 2kym s PRO 87 N 1.11 1.60 0.51 2.79 0.04 -1.26 -4.81 135.00 134.99 2kym s PRO 87 Ca 0.55 0.94 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 2kym s PRO 87 Cb -0.25 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2kym s PRO 87 CO 0.28 -2.04 0.75 0.99 0.04 0.00 0.00 177.00 177.02 2kym s THR 88 N -2.92 3.53 0.15 1.26 2.01 -1.26 -2.30 115.64 116.10 2kym s THR 88 Ca 0.63 -0.45 -0.25 0.00 0.31 0.00 0.00 61.69 61.93 2kym s THR 88 Cb -0.18 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.01 2kym s THR 88 CO 0.57 -0.25 1.61 0.58 -0.69 0.00 0.00 174.62 176.43 2kym h VAL 89 N 0.18 0.29 -0.48 3.82 2.07 -1.60 -0.34 116.25 120.18 2kym h VAL 89 Ca -0.45 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.17 2kym h VAL 89 Cb 1.27 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 2kym h VAL 89 CO 0.57 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 177.78 2kym h GLU 90 N -0.33 0.07 -0.45 1.57 5.08 -1.95 -0.65 114.58 117.91 2kym h GLU 90 Ca 0.12 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2kym h GLU 90 Cb 0.53 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2kym h GLU 90 CO -0.41 0.04 0.20 1.96 -1.00 0.00 0.00 179.01 179.81 2kym h GLN 91 N 0.07 0.40 -0.81 2.33 1.08 -1.72 -1.00 115.11 115.46 2kym h GLN 91 Ca 0.24 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.44 2kym h GLN 91 Cb 0.37 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.66 2kym h GLN 91 CO -0.44 0.26 0.53 2.35 -0.95 0.00 0.00 178.83 180.58 2kym h TRP 92 N 0.41 0.97 -0.36 2.96 7.01 0.03 -0.48 115.95 126.49 2kym h TRP 92 Ca 0.20 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.15 2kym h TRP 92 Cb 0.14 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.86 2kym h TRP 92 CO -0.12 0.58 -0.06 0.87 -2.79 0.00 0.00 178.44 176.92 2kym h LYS 93 N 1.02 0.68 -0.40 2.65 1.79 -0.27 -0.35 116.57 121.70 2kym h LYS 93 Ca 0.31 -0.25 -0.08 0.00 -2.18 0.00 0.00 60.65 58.46 2kym h LYS 93 Cb -0.01 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2kym h LYS 93 CO -0.09 0.83 -0.06 0.22 -1.08 0.00 0.00 179.45 179.27 2kym h ASP 94 N 0.48 0.65 -0.02 0.86 1.82 -0.67 0.26 116.42 119.80 2kym h ASP 94 Ca 0.10 -0.17 -0.20 0.00 -0.39 0.00 0.00 57.03 56.37 2kym h ASP 94 Cb 0.56 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.40 2kym h ASP 94 CO 0.03 0.77 -0.71 1.56 -1.61 0.00 0.00 179.24 179.27 2kym h GLN 95 N 0.63 0.66 -0.04 0.28 4.20 -0.96 -1.39 115.11 118.48 2kym h GLN 95 Ca 0.12 -0.51 -0.14 0.00 0.06 0.00 0.00 58.65 58.18 2kym h GLN 95 Cb 0.48 0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.37 2kym h GLN 95 CO 0.03 1.13 -0.53 1.79 -0.67 0.00 0.00 178.83 180.58 2kym h THR 96 N 0.46 1.41 -0.26 -0.54 1.35 -0.84 -0.17 112.91 114.32 2kym h THR 96 Ca -0.03 -1.96 -0.09 0.00 -0.55 0.00 0.00 66.41 63.78 2kym h THR 96 Cb 1.31 2.46 -0.01 0.00 -1.73 0.00 0.00 68.15 70.18 2kym h THR 96 CO 0.14 0.57 -0.20 0.08 -0.25 0.00 0.00 175.52 175.86 2kym h ARG 97 N -0.06 0.48 0.06 4.72 -0.00 -0.56 0.20 114.38 119.22 2kym h ARG 97 Ca -0.06 -0.16 -0.24 0.00 -0.00 0.00 0.00 59.98 59.52 2kym h ARG 97 Cb 1.22 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 31.13 2kym h ARG 97 CO 0.11 0.66 -1.13 0.07 -0.00 0.00 0.00 179.97 179.68 2kym h ARG 98 N 0.43 0.12 0.00 0.08 0.11 -1.29 -2.62 114.38 111.22 2kym h ARG 98 Ca 0.07 -0.21 -0.08 0.00 0.10 0.00 0.00 59.98 59.86 2kym h ARG 98 Cb 0.60 0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.74 2kym h ARG 98 CO 0.04 1.09 -0.43 -0.92 0.10 0.00 0.00 179.97 179.85 2kym h TYR 99 N 0.03 0.00 0.00 4.08 3.20 -0.81 -3.20 116.97 120.28 2kym h TYR 99 Ca -0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2kym h TYR 99 Cb 1.87 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.14 2kym h TYR 99 CO 0.03 0.36 -0.72 0.87 -1.64 0.00 0.00 178.16 177.06 2kym h LYS 100 N 0.00 0.00 -6.64 1.82 1.79 -0.64 -3.48 116.57 109.42 2kym h LYS 100 Ca -0.01 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.98 2kym h LYS 100 Cb 1.29 0.00 0.23 0.00 -1.58 0.00 0.00 32.23 32.17 2kym h LYS 100 CO 0.05 0.00 -1.12 -0.85 -1.08 0.00 0.00 179.45 176.44 2kym n GLU 101 N -2.38 -1.23 -2.88 3.15 0.28 -0.99 -4.85 120.64 111.74 2kym n GLU 101 Ca 0.02 -0.34 -0.44 0.00 -0.16 0.00 0.00 57.16 56.24 2kym n GLU 101 Cb 0.49 -1.67 0.00 0.00 1.43 0.00 0.00 31.44 31.69 2kym n GLU 101 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2kym n SER 102 N -1.16 5.25 -3.46 -1.84 3.41 -1.26 -4.98 113.62 109.58 2kym n SER 102 Ca 0.01 -3.01 -0.10 0.00 -0.26 0.00 0.00 58.87 55.51 2kym n SER 102 Cb 0.62 -1.53 0.03 0.00 -0.26 0.00 0.00 64.21 63.06 2kym n SER 102 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2kym n SER 103 N 5.01 1.13 -4.97 4.04 7.64 -1.26 -5.13 113.62 120.08 2kym n SER 103 Ca 0.36 -1.78 -0.21 0.00 1.01 0.00 0.00 58.87 58.24 2kym n SER 103 Cb 0.41 -0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 2kym n SER 103 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kym s ILE 104 N -0.85 5.06 0.00 0.44 -1.09 -1.26 -5.11 121.20 118.39 2kym s ILE 104 Ca 0.29 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 2kym s ILE 104 Cb -0.02 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 2kym s ILE 104 CO 0.18 -0.35 0.00 0.00 -1.23 0.00 0.00 174.94 173.55 2kym n GLN 105 N -1.52 -0.80 -4.45 2.79 6.02 -1.26 -5.07 117.38 113.09 2kym n GLN 105 Ca -0.07 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.70 2kym n GLN 105 Cb 0.57 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.67 2kym n GLN 105 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2kym s ILE 106 N -0.88 0.89 -1.52 5.09 1.09 -1.26 -5.05 121.20 119.55 2kym s ILE 106 Ca 0.00 -0.40 -0.11 0.00 -1.10 0.00 0.00 60.65 59.04 2kym s ILE 106 Cb 0.00 -0.80 -0.01 0.00 -1.06 0.00 0.00 42.46 40.59 2kym s ILE 106 CO 0.00 0.28 2.59 0.61 -0.10 0.00 0.00 174.94 178.32 2kym n GLY 107 N 3.41 4.42 3.71 6.18 0.00 -1.26 -4.92 105.19 116.73 2kym n GLY 107 Ca -0.19 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 2kym n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kym s ASN 108 N 2.34 5.35 0.56 1.61 4.22 -1.26 -5.12 114.94 122.64 2kym s ASN 108 Ca 0.59 0.14 0.06 0.00 -2.14 0.00 0.00 52.86 51.50 2kym s ASN 108 Cb 0.16 -1.51 0.05 0.00 1.28 0.00 0.00 41.25 41.23 2kym s ASN 108 CO -0.07 0.35 0.49 -0.83 -2.04 0.00 0.00 177.10 175.00 2kym s GLY 109 N -1.16 2.24 0.29 0.45 0.00 -1.26 -5.14 107.32 102.74 2kym s GLY 109 Ca 0.16 -1.42 0.08 0.00 0.00 0.00 0.00 44.72 43.54 2kym s GLY 109 CO 0.06 -1.89 0.15 0.30 0.00 0.00 0.00 173.10 171.71 2kym s HIS 110 N -2.76 2.86 0.00 1.90 3.76 -1.26 -5.14 115.29 114.66 2kym s HIS 110 Ca 0.39 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 2kym s HIS 110 Cb -0.03 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.19 2kym s HIS 110 CO 0.25 0.45 0.00 0.41 -0.85 0.00 0.00 174.74 174.99 2kym n GLY 111 N -1.13 -1.25 3.32 -2.22 0.00 -1.26 -5.12 105.19 97.54 2kym n GLY 111 Ca -0.05 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 2kym n GLY 111 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kym s GLN 112 N -0.89 0.92 -0.04 1.61 0.00 -1.26 -5.16 119.66 114.83 2kym s GLN 112 Ca 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 55.36 55.01 2kym s GLN 112 Cb 0.00 0.41 0.03 0.00 0.00 0.00 0.00 33.01 33.45 2kym s GLN 112 CO 0.00 -0.31 -0.01 -1.12 0.00 0.00 0.00 175.29 173.85 2kym s SER 113 N -1.98 0.87 -0.27 12.60 0.01 -1.26 -5.13 113.70 118.53 2kym s SER 113 Ca -0.05 -0.06 -0.25 0.00 1.31 0.00 0.00 55.95 56.89 2kym s SER 113 Cb -0.01 -0.32 0.11 0.00 0.21 0.00 0.00 66.02 66.00 2kym s SER 113 CO -0.02 -0.12 0.93 0.00 0.41 0.00 0.00 173.24 174.44 2kym s GLN 114 N 1.28 0.62 -0.30 12.44 -2.07 -1.26 -5.14 119.66 125.22 2kym s GLN 114 Ca -0.06 0.69 -0.02 0.00 -1.82 0.00 0.00 55.36 54.15 2kym s GLN 114 Cb -0.13 0.30 0.10 0.00 -1.09 0.00 0.00 33.01 32.19 2kym s GLN 114 CO -0.02 -0.08 0.11 0.20 -1.32 0.00 0.00 175.29 174.18 2kym s GLY 115 N 0.18 0.82 -0.09 2.60 0.00 -1.26 -5.01 107.32 104.56 2kym s GLY 115 Ca 0.02 -1.42 -0.01 0.00 0.00 0.00 0.00 44.72 43.31 2kym s GLY 115 CO -0.03 1.82 -0.01 1.41 0.00 0.00 0.00 173.10 176.28 2kym h LEU 116 N 8.22 0.00 -1.36 0.66 3.38 -2.08 -3.59 115.31 120.54 2kym h LEU 116 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2kym h LEU 116 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2kym h LEU 116 CO 0.46 0.46 0.00 1.21 0.09 0.00 0.00 178.44 180.66