#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kym s ALA -1 N 0.00 3.36 -0.74 3.17 0.00 -1.26 -5.05 121.76 121.24 2kym s ALA -1 Ca 0.00 -1.57 -0.26 0.00 0.00 0.00 0.00 51.96 50.14 2kym s ALA -1 Cb 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 2kym s ALA -1 CO 0.00 0.24 1.90 -1.25 0.00 0.00 0.00 175.76 176.65 2kym s PRO 1 N -3.76 2.59 -0.11 0.00 0.04 -1.26 -4.96 135.00 127.55 2kym s PRO 1 Ca 0.32 0.20 -0.03 0.00 0.04 0.00 0.00 61.00 61.53 2kym s PRO 1 Cb -0.07 -4.70 -0.03 0.00 0.04 0.00 0.00 34.50 29.74 2kym s PRO 1 CO 0.22 -3.03 0.03 -0.48 0.04 0.00 0.00 177.00 173.78 2kym s LEU 2 N 9.53 3.73 0.16 -3.56 0.05 -1.26 -4.69 118.68 122.64 2kym s LEU 2 Ca 0.68 0.18 0.10 0.00 0.05 0.00 0.00 54.13 55.15 2kym s LEU 2 Cb -0.10 -1.88 -0.04 0.00 -2.05 0.00 0.00 46.19 42.12 2kym s LEU 2 CO 0.11 0.35 -0.22 -0.36 -0.55 0.00 0.00 176.35 175.68 2kym s PHE 3 N -0.70 2.40 0.32 3.48 0.40 -1.14 -3.10 117.98 119.64 2kym s PHE 3 Ca 0.11 -0.33 0.10 0.00 -0.60 0.00 0.00 56.93 56.22 2kym s PHE 3 Cb -0.12 -1.24 -0.06 0.00 0.51 0.00 0.00 43.02 42.12 2kym s PHE 3 CO 0.02 0.43 -0.13 0.00 0.70 0.00 0.00 175.22 176.24 2kym s ALA 4 N -1.38 2.88 -0.09 5.36 0.00 0.22 -1.40 121.76 127.34 2kym s ALA 4 Ca 0.19 -2.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.12 2kym s ALA 4 Cb -0.09 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.93 2kym s ALA 4 CO 0.09 0.15 -0.02 0.54 0.00 0.00 0.00 175.76 176.53 2kym s VAL 5 N -2.58 0.57 0.31 0.00 0.11 -0.26 -1.40 120.40 117.16 2kym s VAL 5 Ca 0.32 -0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 59.03 2kym s VAL 5 Cb -0.00 -0.72 -0.10 0.00 -1.53 0.00 0.00 36.38 34.03 2kym s VAL 5 CO 0.16 0.26 1.31 0.42 -3.33 0.00 0.00 175.10 173.92 2kym s THR 6 N 1.89 2.76 -0.13 5.04 -4.23 -1.05 -1.18 115.64 118.74 2kym s THR 6 Ca 0.05 0.75 0.15 0.00 -1.18 0.00 0.00 61.69 61.45 2kym s THR 6 Cb -0.13 -3.47 -0.23 0.00 1.34 0.00 0.00 72.50 70.01 2kym s THR 6 CO -0.06 0.17 0.38 0.18 -0.54 0.00 0.00 174.62 174.75 2kym n LEU 7 N 1.06 0.11 -4.15 4.79 4.77 0.83 -0.05 117.00 124.36 2kym n LEU 7 Ca 0.01 -0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.81 2kym n LEU 7 Cb 0.42 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 2kym n LEU 7 CO 0.59 0.03 -0.32 -0.31 -1.33 0.00 0.00 177.39 176.05 2kym s TYR 8 N -2.95 0.84 -0.39 -1.77 1.51 -1.25 -4.64 117.35 108.70 2kym s TYR 8 Ca -0.04 -1.16 -0.29 0.00 -1.01 0.00 0.00 57.07 54.58 2kym s TYR 8 Cb 0.10 -0.50 0.02 0.00 -0.11 0.00 0.00 41.96 41.48 2kym s TYR 8 CO 0.63 -0.43 1.09 -2.00 -1.11 0.00 0.00 175.55 173.73 2kym s GLU 9 N -3.99 3.89 -0.39 -0.62 2.56 -1.26 -3.72 118.70 115.17 2kym s GLU 9 Ca 0.20 0.80 -0.16 0.00 0.00 0.00 0.00 54.97 55.81 2kym s GLU 9 Cb 0.07 -3.82 0.01 0.00 2.00 0.00 0.00 34.13 32.40 2kym s GLU 9 CO -0.01 -1.12 0.36 0.12 -0.56 0.00 0.00 175.26 174.06 2kym s PHE 10 N 3.98 3.21 -0.21 5.30 5.36 0.00 -4.98 117.98 130.63 2kym s PHE 10 Ca 0.46 -0.36 -0.27 0.00 -0.96 0.00 0.00 56.93 55.80 2kym s PHE 10 Cb -0.10 -2.71 0.00 0.00 -0.34 0.00 0.00 43.02 39.87 2kym s PHE 10 CO 0.23 -0.58 0.95 0.15 -1.46 0.00 0.00 175.22 174.50 2kym s LYS 11 N 1.93 4.26 0.62 10.12 3.01 -1.26 -2.59 119.74 135.83 2kym s LYS 11 Ca 0.09 1.19 -0.14 0.00 -1.01 0.00 0.00 55.97 56.11 2kym s LYS 11 Cb -0.18 -3.62 -0.02 0.00 -1.01 0.00 0.00 37.83 33.00 2kym s LYS 11 CO 0.12 -0.53 1.05 0.00 0.51 0.00 0.00 175.35 176.50 2kym s ALA 12 N 2.84 2.75 0.00 5.17 0.00 -1.26 -4.95 121.76 126.30 2kym s ALA 12 Ca 0.41 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2kym s ALA 12 Cb -0.16 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2kym s ALA 12 CO 0.08 -0.91 0.00 -0.85 0.00 0.00 0.00 175.76 174.08 2kym n GLU 13 N -2.38 0.73 -4.55 0.00 0.28 -1.26 -4.99 120.64 108.46 2kym n GLU 13 Ca 0.08 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.81 2kym n GLU 13 Cb 0.53 -0.90 -0.08 0.00 1.43 0.00 0.00 31.44 32.43 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 -1.79 2.00 0.21 3.44 1.81 -1.26 -5.03 118.95 118.33 2kym s ARG 14 Ca 0.00 -2.24 -0.09 0.00 -1.72 0.00 0.00 55.73 51.68 2kym s ARG 14 Cb 0.00 -0.71 0.26 0.00 -0.45 0.00 0.00 34.95 34.05 2kym s ARG 14 CO 0.00 -0.49 1.79 0.22 -0.68 0.00 0.00 175.30 176.13 2kym h ASP 15 N 1.69 0.45 -0.13 0.23 1.82 -2.05 -2.48 116.42 115.96 2kym h ASP 15 Ca -0.36 0.04 0.04 0.00 -0.39 0.00 0.00 57.03 56.37 2kym h ASP 15 Cb 1.28 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 41.21 2kym h ASP 15 CO 0.58 0.28 -0.15 0.44 -1.61 0.00 0.00 179.24 178.77 2kym h ASP 16 N 0.59 -0.48 -4.07 2.28 3.32 -1.96 -3.42 116.42 112.67 2kym h ASP 16 Ca 0.30 0.09 -0.55 0.00 0.02 0.00 0.00 57.03 56.89 2kym h ASP 16 Cb 0.26 0.23 0.15 0.00 0.22 0.00 0.00 39.33 40.18 2kym h ASP 16 CO -0.22 -0.20 0.57 -0.70 -1.72 0.00 0.00 179.24 176.97 2kym s GLU 17 N -6.14 2.89 -0.11 3.56 2.56 -0.93 -3.02 118.70 117.50 2kym s GLU 17 Ca -0.14 2.16 -0.00 0.00 0.00 0.00 0.00 54.97 56.99 2kym s GLU 17 Cb 0.10 -2.08 0.02 0.00 2.00 0.00 0.00 34.13 34.18 2kym s GLU 17 CO 0.68 -1.36 -0.09 -1.17 -0.56 0.00 0.00 175.26 172.76 2kym s LEU 18 N -3.88 1.28 0.29 2.70 2.96 -1.25 -4.74 118.68 116.04 2kym s LEU 18 Ca 0.76 -0.33 -0.29 0.00 -0.22 0.00 0.00 54.13 54.05 2kym s LEU 18 Cb -0.39 -0.88 -0.10 0.00 0.50 0.00 0.00 46.19 45.32 2kym s LEU 18 CO 0.44 -0.10 1.36 1.51 -1.32 0.00 0.00 176.35 178.24 2kym s ASP 19 N 1.60 6.73 -0.09 3.68 -4.77 -1.26 -4.68 116.67 117.88 2kym s ASP 19 Ca 0.03 2.66 -0.19 0.00 -3.30 0.00 0.00 52.55 51.75 2kym s ASP 19 Cb -0.13 -2.64 0.04 0.00 -1.09 0.00 0.00 42.92 39.11 2kym s ASP 19 CO -0.08 -0.61 0.45 0.54 0.70 0.00 0.00 175.17 176.18 2kym s VAL 20 N -0.56 0.02 0.25 2.11 0.11 -1.07 -5.00 120.40 116.26 2kym s VAL 20 Ca 0.54 -0.19 0.06 0.00 -2.93 0.00 0.00 61.98 59.46 2kym s VAL 20 Cb -0.40 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 33.70 2kym s VAL 20 CO 0.48 -0.10 0.27 -0.44 -3.33 0.00 0.00 175.10 171.98 2kym s SER 21 N -0.68 5.83 -0.13 3.54 0.01 -1.26 -0.82 113.70 120.19 2kym s SER 21 Ca -0.08 -0.14 -0.29 0.00 1.31 0.00 0.00 55.95 56.75 2kym s SER 21 Cb -0.03 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.61 2kym s SER 21 CO 0.04 -0.08 1.55 -2.16 0.41 0.00 0.00 173.24 173.00 2kym s PRO 22 N -3.92 4.07 0.00 12.44 0.04 -1.24 -2.74 135.00 143.64 2kym s PRO 22 Ca 0.34 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2kym s PRO 22 Cb -0.08 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.51 2kym s PRO 22 CO 0.27 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.76 2kym n GLY 23 N 4.18 0.98 3.92 0.56 0.00 0.92 -4.92 105.19 110.82 2kym n GLY 23 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 3.58 -0.15 1.61 0.41 -1.11 -4.92 118.70 117.58 2kym s GLU 24 Ca 0.00 -0.06 -0.06 0.00 -0.41 0.00 0.00 54.97 54.44 2kym s GLU 24 Cb 0.00 -2.61 -0.04 0.00 -1.78 0.00 0.00 34.13 29.70 2kym s GLU 24 CO 0.00 0.14 0.05 -0.80 -0.49 0.00 0.00 175.26 174.16 2kym s ASN 25 N -3.53 5.56 0.05 -0.19 -0.87 -1.26 -2.52 114.94 112.18 2kym s ASN 25 Ca 0.43 0.13 0.03 0.00 -1.57 0.00 0.00 52.86 51.89 2kym s ASN 25 Cb -0.10 -1.84 -0.03 0.00 -0.02 0.00 0.00 41.25 39.26 2kym s ASN 25 CO 0.34 0.26 -0.10 -0.76 -2.57 0.00 0.00 177.10 174.26 2kym s LEU 26 N -0.13 2.25 -0.37 0.60 1.02 -0.50 -3.37 118.68 118.19 2kym s LEU 26 Ca 0.06 -0.55 -0.13 0.00 0.02 0.00 0.00 54.13 53.53 2kym s LEU 26 Cb -0.12 -0.31 0.00 0.00 0.02 0.00 0.00 46.19 45.78 2kym s LEU 26 CO 0.01 -0.14 0.25 -0.55 0.02 0.00 0.00 176.35 175.95 2kym s SER 27 N -1.57 6.00 0.48 2.29 0.15 -0.48 -0.61 113.70 119.96 2kym s SER 27 Ca -0.06 -0.69 -0.20 0.00 0.70 0.00 0.00 55.95 55.70 2kym s SER 27 Cb -0.10 -2.12 -0.09 0.00 -1.71 0.00 0.00 66.02 62.00 2kym s SER 27 CO 0.01 -0.34 1.01 -0.63 1.20 0.00 0.00 173.24 174.49 2kym s ILE 28 N 1.68 4.06 0.00 6.45 1.01 -1.18 -1.10 121.20 132.12 2kym s ILE 28 Ca 0.05 1.22 0.00 0.00 0.00 0.00 0.00 60.65 61.92 2kym s ILE 28 Cb -0.18 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2kym s ILE 28 CO 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 174.94 174.70 2kym s ALA 30 N -1.71 -0.59 0.38 0.00 0.00 -1.24 -4.45 121.76 114.15 2kym s ALA 30 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2kym s ALA 30 Cb 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 2kym s ALA 30 CO 0.00 -0.97 0.17 -3.38 0.00 0.00 0.00 175.76 171.58 2kym s HIS 31 N -2.30 1.76 -0.30 0.00 -0.00 -0.92 -0.63 115.29 112.90 2kym s HIS 31 Ca 0.17 -1.39 -0.03 0.00 -0.00 0.00 0.00 55.06 53.81 2kym s HIS 31 Cb -0.05 -1.03 0.10 0.00 -0.00 0.00 0.00 32.58 31.61 2kym s HIS 31 CO 0.12 -0.46 0.13 -0.47 -0.00 0.00 0.00 174.74 174.07 2kym s TYR 32 N -3.29 0.72 -1.27 0.38 5.04 0.26 -0.38 117.35 118.80 2kym s TYR 32 Ca 0.28 -1.17 0.00 0.00 -2.44 0.00 0.00 57.07 53.74 2kym s TYR 32 Cb 0.02 -1.12 0.00 0.00 0.35 0.00 0.00 41.96 41.21 2kym s TYR 32 CO 0.18 -0.84 0.00 -3.47 -1.34 0.00 0.00 175.55 170.08 2kym n ASP 33 N 5.03 -4.02 -1.79 4.32 2.03 -1.26 0.17 116.55 121.03 2kym n ASP 33 Ca -0.03 0.22 -0.18 0.00 0.52 0.00 0.00 54.79 55.32 2kym n ASP 33 Cb 0.41 -3.51 -0.04 0.00 -0.72 0.00 0.00 41.12 37.27 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 -2.95 -0.52 -0.04 -0.67 4.02 -1.26 -4.84 117.16 110.91 2kym n TYR 34 Ca -0.15 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.69 2kym n TYR 34 Cb 0.56 -3.38 -0.03 0.00 -0.02 0.00 0.00 39.34 36.48 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 -2.63 0.18 -4.39 -0.72 -0.58 0.13 -4.91 120.64 107.72 2kym n GLU 35 Ca -0.20 0.04 -0.24 0.00 -0.42 0.00 0.00 57.16 56.34 2kym n GLU 35 Cb 0.63 -1.13 -0.11 0.00 -0.57 0.00 0.00 31.44 30.26 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 -2.14 2.08 -0.06 -0.32 0.52 -1.07 -2.83 118.94 115.12 2kym s TRP 36 Ca -0.10 -0.41 0.03 0.00 0.02 0.00 0.00 56.10 55.64 2kym s TRP 36 Cb 0.03 -1.01 0.01 0.00 -1.15 0.00 0.00 33.47 31.34 2kym s TRP 36 CO 0.16 0.45 -0.13 -0.06 0.02 0.00 0.00 176.95 177.39 2kym s PHE 37 N -1.96 1.51 -0.79 -1.98 0.08 0.10 -0.58 117.98 114.36 2kym s PHE 37 Ca 0.20 -0.54 -0.19 0.00 0.12 0.00 0.00 56.93 56.52 2kym s PHE 37 Cb -0.06 -1.09 0.12 0.00 -0.57 0.00 0.00 43.02 41.42 2kym s PHE 37 CO 0.09 -0.26 0.97 0.42 -0.10 0.00 0.00 175.22 176.34 2kym s ILE 38 N 0.56 4.75 0.23 0.64 -1.09 0.20 -0.33 121.20 126.16 2kym s ILE 38 Ca -0.13 -1.30 0.10 0.00 -2.23 0.00 0.00 60.65 57.09 2kym s ILE 38 Cb -0.15 -4.67 -0.04 0.00 -1.58 0.00 0.00 42.46 36.01 2kym s ILE 38 CO 0.04 -1.37 -0.12 0.00 -1.23 0.00 0.00 174.94 172.26 2kym s ALA 39 N 2.72 2.89 0.20 9.38 0.00 -1.26 0.04 121.76 135.73 2kym s ALA 39 Ca 0.25 -1.64 0.10 0.00 0.00 0.00 0.00 51.96 50.67 2kym s ALA 39 Cb -0.12 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2kym s ALA 39 CO -0.02 0.37 -0.19 -1.59 0.00 0.00 0.00 175.76 174.32 2kym s LYS 40 N -3.17 1.42 0.06 0.00 -2.85 -0.26 -2.24 119.74 112.70 2kym s LYS 40 Ca 0.27 -1.54 -0.31 0.00 -1.00 0.00 0.00 55.97 53.40 2kym s LYS 40 Cb -0.07 -1.49 -0.07 0.00 -2.06 0.00 0.00 37.83 34.14 2kym s LYS 40 CO 0.15 0.29 1.40 -1.25 0.10 0.00 0.00 175.35 176.05 2kym s PRO 41 N -3.07 4.31 -0.09 1.78 0.04 -1.25 -1.38 135.00 135.33 2kym s PRO 41 Ca 0.21 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 63.11 2kym s PRO 41 Cb -0.05 -3.40 -0.28 0.00 0.04 0.00 0.00 34.50 30.81 2kym s PRO 41 CO 0.09 -0.50 0.62 0.82 0.04 0.00 0.00 177.00 178.07 2kym h ILE 42 N 4.56 1.13 0.03 0.56 2.04 -1.94 -3.41 117.51 120.48 2kym h ILE 42 Ca -0.40 -2.42 -0.29 0.00 1.00 0.00 0.00 64.86 62.74 2kym h ILE 42 Cb 1.20 2.80 -0.03 0.00 -0.74 0.00 0.00 36.82 40.04 2kym h ILE 42 CO 0.88 0.70 -1.58 0.59 0.00 0.00 0.00 178.15 178.73 2kym n ASN 43 N -3.98 1.93 -2.74 1.72 4.13 -1.26 -4.96 115.26 110.10 2kym n ASN 43 Ca -0.23 0.35 -0.02 0.00 1.68 0.00 0.00 54.58 56.36 2kym n ASN 43 Cb 0.88 -0.92 0.02 0.00 -1.54 0.00 0.00 39.78 38.22 2kym n ASN 43 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kym n ARG 43 N -4.18 -1.56 -4.08 3.52 1.74 -1.26 -5.05 116.66 105.78 2kym n ARG 43 Ca -0.35 -0.13 -0.26 0.00 -0.77 0.00 0.00 57.85 56.34 2kym n ARG 43 Cb 0.79 -0.14 -0.17 0.00 -1.02 0.00 0.00 32.46 31.93 2kym n ARG 43 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kym s LEU 44 N 0.00 1.31 0.00 0.55 1.43 -1.26 -4.87 118.68 115.85 2kym s LEU 44 Ca 0.05 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2kym s LEU 44 Cb -0.01 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.38 2kym s LEU 44 CO 0.04 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.16 2kym n GLY 45 N 4.64 -2.62 0.00 -3.19 0.00 -1.26 -5.05 105.19 97.70 2kym n GLY 45 Ca -0.15 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2kym n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kym n GLY 46 N 0.00 0.99 3.74 -0.02 0.00 -1.26 -5.03 105.19 103.61 2kym n GLY 46 Ca 0.00 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.00 4.40 0.00 1.61 0.04 -1.26 -3.89 135.00 133.89 2kym s PRO 47 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2kym s PRO 47 Cb 0.00 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2kym s PRO 47 CO 0.00 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.22 2kym n GLY 48 N 2.28 3.97 3.62 0.56 0.00 -0.95 -4.97 105.19 109.70 2kym n GLY 48 Ca 0.06 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.98 -0.01 0.99 0.20 -1.17 -4.45 118.68 113.26 2kym s LEU 49 Ca 0.00 1.50 0.01 0.00 0.69 0.00 0.00 54.13 56.34 2kym s LEU 49 Cb 0.00 2.29 -0.00 0.00 -0.43 0.00 0.00 46.19 48.05 2kym s LEU 49 CO 0.00 -0.23 -0.04 0.68 -0.29 0.00 0.00 176.35 176.47 2kym s VAL 50 N 2.14 0.36 0.11 1.68 -7.23 0.55 -3.92 120.40 114.08 2kym s VAL 50 Ca -0.08 -0.17 -0.31 0.00 -1.81 0.00 0.00 61.98 59.60 2kym s VAL 50 Cb -0.08 -0.32 -0.08 0.00 0.56 0.00 0.00 36.38 36.47 2kym s VAL 50 CO -0.19 0.11 1.36 -2.16 -0.31 0.00 0.00 175.10 173.91 2kym s PRO 51 N 0.01 4.34 0.64 4.82 0.04 -1.26 0.01 135.00 143.60 2kym s PRO 51 Ca 0.00 2.03 0.36 0.00 0.04 0.00 0.00 61.00 63.44 2kym s PRO 51 Cb -0.03 -3.26 1.99 0.00 0.04 0.00 0.00 34.50 33.24 2kym s PRO 51 CO -0.00 -0.41 2.18 0.28 0.04 0.00 0.00 177.00 179.08 2kym h VAL 52 N 4.29 0.15 0.00 -0.36 2.07 -1.80 0.28 116.25 120.87 2kym h VAL 52 Ca -0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2kym h VAL 52 Cb 1.21 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2kym h VAL 52 CO 0.86 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.91 2kym n SER 53 N -3.25 0.00 -0.00 0.57 3.41 -1.26 -3.14 113.62 109.95 2kym n SER 53 Ca -0.02 0.05 -0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2kym n SER 53 Cb 0.22 -0.31 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2kym n SER 53 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2kym n TYR 54 N -1.31 0.00 -4.30 7.33 4.02 0.89 -4.97 117.16 118.82 2kym n TYR 54 Ca 0.10 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.64 2kym n TYR 54 Cb 0.18 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.39 2kym n TYR 54 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2kym s VAL 55 N -2.02 4.44 -0.19 -0.72 1.01 -0.71 -0.12 120.40 122.07 2kym s VAL 55 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2kym s VAL 55 Cb 0.00 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2kym s VAL 55 CO 0.02 0.59 -0.05 -0.60 0.00 0.00 0.00 175.10 175.07 2kym s ARG 56 N -0.74 3.46 0.07 2.72 3.52 -0.33 -4.68 118.95 122.98 2kym s ARG 56 Ca 0.12 -0.60 -0.31 0.00 -0.13 0.00 0.00 55.73 54.81 2kym s ARG 56 Cb -0.12 -2.96 -0.07 0.00 -1.56 0.00 0.00 34.95 30.25 2kym s ARG 56 CO 0.02 -0.04 1.34 0.42 -0.81 0.00 0.00 175.30 176.23 2kym s ILE 57 N 1.08 3.59 0.28 4.11 -1.09 -1.26 -1.10 121.20 126.81 2kym s ILE 57 Ca 0.01 1.11 -0.03 0.00 -2.23 0.00 0.00 60.65 59.51 2kym s ILE 57 Cb -0.15 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 2kym s ILE 57 CO -0.00 0.07 0.35 0.27 -1.23 0.00 0.00 174.94 174.40 2kym s ILE 58 N 1.39 0.00 -0.11 2.92 -4.36 -0.49 -4.48 121.20 116.07 2kym s ILE 58 Ca 0.63 -1.72 0.03 0.00 -0.26 0.00 0.00 60.65 59.33 2kym s ILE 58 Cb -0.34 -2.47 -0.01 0.00 1.25 0.00 0.00 42.46 40.89 2kym s ILE 58 CO 0.29 0.00 -0.20 -0.62 0.24 0.00 0.00 174.94 174.65 2kym s ASP 59 N -3.18 3.43 0.63 4.36 2.15 -1.25 -2.89 116.67 119.92 2kym s ASP 59 Ca 0.32 -0.47 0.35 0.00 0.43 0.00 0.00 52.55 53.18 2kym s ASP 59 Cb 0.02 -1.47 1.97 0.00 -0.30 0.00 0.00 42.92 43.14 2kym s ASP 59 CO 0.16 0.17 2.20 -0.07 -0.17 0.00 0.00 175.17 177.46 2kym h LEU 60 N 6.68 0.00 0.00 -1.34 3.38 -1.88 0.31 115.31 122.47 2kym h LEU 60 Ca -0.22 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.52 2kym h LEU 60 Cb 1.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 2kym h LEU 60 CO 0.50 0.00 -1.52 0.24 0.09 0.00 0.00 178.44 177.76 2kym h MET 61 N 0.00 0.00 -1.19 1.13 2.86 -1.94 -3.42 114.93 112.37 2kym h MET 61 Ca 0.03 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.34 2kym h MET 61 Cb 0.24 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 31.67 2kym h MET 61 CO -0.00 0.41 -0.69 -3.47 1.06 0.00 0.00 176.91 174.22 2kym n ASP 62 N -2.99 -2.12 0.00 1.22 -0.08 0.02 -4.97 116.55 107.63 2kym n ASP 62 Ca -0.12 -2.87 0.07 0.00 -1.51 0.00 0.00 54.79 50.36 2kym n ASP 62 Cb 0.94 0.91 0.33 0.00 2.34 0.00 0.00 41.12 45.64 2kym n ASP 62 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2kym n PRO 63 N 2.34 0.07 0.03 -0.67 -0.04 0.89 -2.03 135.00 135.60 2kym n PRO 63 Ca 0.19 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 2kym n PRO 63 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.43 3.32 -0.03 0.55 0.00 -1.26 -3.42 120.51 118.24 2kym n ALA 64 Ca 0.05 -0.40 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 2kym n ALA 64 Cb 0.15 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 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 0.00 -0.05 -0.78 0.00 3.64 -1.79 -3.30 116.57 114.29 2kym h LYS 65 Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 2kym h LYS 65 Cb 0.77 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.51 2kym h LYS 65 CO 0.00 0.61 0.18 0.66 -2.27 0.00 0.00 179.45 178.63 2kym n TYR 66 N -4.75 1.98 0.30 1.91 4.02 -1.24 -4.13 117.16 115.25 2kym n TYR 66 Ca -0.08 -0.94 0.12 0.00 -0.01 0.00 0.00 57.90 56.99 2kym n TYR 66 Cb 0.33 -0.57 0.10 0.00 -0.02 0.00 0.00 39.34 39.18 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 2.80 0.62 0.00 -0.72 0.00 -1.64 -3.32 119.26 117.00 2kym h ALA 67 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2kym h ALA 67 Cb 2.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 2kym h ALA 67 CO 0.58 0.00 -1.26 0.66 0.00 0.00 0.00 179.25 179.23 2kym h SER 68 N 0.00 0.00 -2.89 0.00 4.64 -1.78 -3.47 113.55 110.04 2kym h SER 68 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 2kym h SER 68 Cb 0.90 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.10 2kym h SER 68 CO 0.00 0.38 0.38 0.55 -0.87 0.00 0.00 176.83 177.27 2kym n VAL 69 N -2.82 1.83 -3.11 0.95 3.14 -1.25 -4.91 118.33 112.17 2kym n VAL 69 Ca -0.06 -0.46 -0.45 0.00 -2.96 0.00 0.00 64.34 60.41 2kym n VAL 69 Cb 0.74 -1.33 -0.03 0.00 -1.06 0.00 0.00 33.84 32.16 2kym n VAL 69 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2kym s ASP 70 N -0.32 6.62 0.53 6.55 1.01 -1.26 -4.88 116.67 124.93 2kym s ASP 70 Ca 0.59 -2.22 0.31 0.00 0.71 0.00 0.00 52.55 51.94 2kym s ASP 70 Cb -0.63 -2.31 1.46 0.00 1.01 0.00 0.00 42.92 42.44 2kym s ASP 70 CO 0.60 -0.88 1.89 0.71 0.21 0.00 0.00 175.17 177.70 2kym h THR 71 N 5.43 0.57 -0.23 -1.27 1.35 -1.89 -0.34 112.91 116.52 2kym h THR 71 Ca 0.08 -0.01 0.01 0.00 -0.55 0.00 0.00 66.41 65.94 2kym h THR 71 Cb 1.04 0.55 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 2kym h THR 71 CO 0.97 0.00 0.12 0.22 -0.25 0.00 0.00 175.52 176.57 2kym h TYR 72 N 0.02 0.21 -2.35 4.73 3.20 -1.90 -3.41 116.97 117.48 2kym h TYR 72 Ca 0.42 0.01 -0.58 0.00 3.14 0.00 0.00 58.73 61.72 2kym h TYR 72 Cb 1.64 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.84 2kym h TYR 72 CO -0.00 0.12 1.36 -0.51 -1.64 0.00 0.00 178.16 177.49 2kym s ASP 73 N -5.35 5.77 0.60 -2.11 1.01 -0.14 -4.83 116.67 111.62 2kym s ASP 73 Ca -0.13 1.69 0.30 0.00 0.71 0.00 0.00 52.55 55.12 2kym s ASP 73 Cb 0.09 -2.52 1.66 0.00 1.01 0.00 0.00 42.92 43.16 2kym s ASP 73 CO 0.70 -1.74 2.05 0.08 0.21 0.00 0.00 175.17 176.46 2kym h ARG 74 N 13.55 0.00 0.35 8.23 -0.00 -1.84 -2.00 114.38 132.67 2kym h ARG 74 Ca -0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.58 2kym h ARG 74 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 2kym h ARG 74 CO 0.99 0.00 -0.17 0.93 -0.00 0.00 0.00 179.97 181.72 2kym h GLU 75 N 0.00 -0.46 0.73 0.08 5.08 -1.92 -1.73 114.58 116.38 2kym h GLU 75 Ca 0.10 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2kym h GLU 75 Cb 0.63 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2kym h GLU 75 CO -0.00 -0.14 -0.42 1.96 -1.00 0.00 0.00 179.01 179.41 2kym h GLN 76 N -0.81 -1.03 -0.88 2.33 4.20 -1.65 -1.68 115.11 115.59 2kym h GLN 76 Ca -0.05 0.07 0.24 0.00 0.06 0.00 0.00 58.65 58.97 2kym h GLN 76 Cb 0.53 0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.49 2kym h GLN 76 CO 0.08 -0.69 0.62 -0.24 -0.67 0.00 0.00 178.83 177.93 2kym h VAL 77 N -1.07 0.59 0.09 -0.54 3.04 -1.55 -0.83 116.25 115.98 2kym h VAL 77 Ca -0.10 -0.04 -0.00 0.00 -1.01 0.00 0.00 66.70 65.55 2kym h VAL 77 Cb 0.85 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 2kym h VAL 77 CO 0.12 0.02 -0.04 0.24 -1.01 0.00 0.00 177.57 176.90 2kym h MET 78 N 0.11 -0.12 -0.70 4.17 2.86 -0.73 -1.35 114.93 119.18 2kym h MET 78 Ca 0.43 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 58.15 2kym h MET 78 Cb 1.52 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 33.15 2kym h MET 78 CO -0.06 0.28 0.39 0.87 1.06 0.00 0.00 176.91 179.44 2kym h LYS 79 N -0.55 0.68 0.51 1.72 1.57 -0.28 0.14 116.57 120.35 2kym h LYS 79 Ca -0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2kym h LYS 79 Cb 0.45 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2kym h LYS 79 CO 0.02 0.45 -0.24 0.82 -0.57 0.00 0.00 179.45 179.93 2kym h ILE 80 N 0.70 0.45 -0.84 1.86 5.03 -1.33 0.23 117.51 123.61 2kym h ILE 80 Ca 0.32 -0.28 0.10 0.00 -0.12 0.00 0.00 64.86 64.88 2kym h ILE 80 Cb 0.22 0.57 -0.06 0.00 -3.03 0.00 0.00 36.82 34.52 2kym h ILE 80 CO -0.20 0.04 0.54 0.40 -0.68 0.00 0.00 178.15 178.26 2kym h ILE 81 N -0.86 0.94 0.09 -0.67 2.04 -1.02 0.22 117.51 118.25 2kym h ILE 81 Ca -0.07 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 2kym h ILE 81 Cb 0.59 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2kym h ILE 81 CO 0.11 0.14 -0.04 -0.78 0.00 0.00 0.00 178.15 177.58 2kym h ASP 82 N 0.78 -0.10 0.04 1.72 3.58 -0.59 0.10 116.42 121.95 2kym h ASP 82 Ca 0.39 -0.45 0.01 0.00 0.42 0.00 0.00 57.03 57.40 2kym h ASP 82 Cb 0.46 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2kym h ASP 82 CO -0.16 0.43 -0.08 -0.33 -2.88 0.00 0.00 179.24 176.23 2kym h GLU 83 N -0.68 -0.15 0.00 0.28 5.08 -0.12 -1.21 114.58 117.78 2kym h GLU 83 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kym h GLU 83 Cb 0.54 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2kym h GLU 83 CO 0.02 -0.10 0.00 1.19 -1.00 0.00 0.00 179.01 179.12 2kym n PHE 84 N -5.19 0.81 -3.30 4.33 3.01 0.74 -4.89 117.46 112.97 2kym n PHE 84 Ca -0.07 0.34 -0.16 0.00 1.01 0.00 0.00 57.45 58.58 2kym n PHE 84 Cb 0.12 -1.05 0.08 0.00 -0.01 0.00 0.00 39.48 38.62 2kym n PHE 84 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2kym n LYS 85 N -2.26 -5.09 -2.80 -1.08 4.76 -0.46 -4.23 118.16 107.01 2kym n LYS 85 Ca 0.01 0.81 -0.41 0.00 -2.87 0.00 0.00 58.31 55.85 2kym n LYS 85 Cb 0.19 -5.66 -0.04 0.00 -1.84 0.00 0.00 35.03 27.68 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 -3.35 4.77 0.62 -0.18 1.01 -0.09 -4.40 121.20 119.58 2kym s ILE 86 Ca 0.12 1.93 -0.16 0.00 0.00 0.00 0.00 60.65 62.53 2kym s ILE 86 Cb -0.02 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 2kym s ILE 86 CO 0.69 0.24 1.12 -2.16 0.00 0.00 0.00 174.94 174.83 2kym s PRO 87 N 0.56 2.98 0.55 2.79 0.04 -1.26 -4.84 135.00 135.81 2kym s PRO 87 Ca 0.47 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 2kym s PRO 87 Cb -0.21 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.37 2kym s PRO 87 CO 0.27 -1.12 0.81 0.99 0.04 0.00 0.00 177.00 177.99 2kym s THR 88 N -2.16 3.49 0.12 1.26 2.01 -1.26 -2.16 115.64 116.93 2kym s THR 88 Ca 0.69 -0.29 -0.31 0.00 0.31 0.00 0.00 61.69 62.08 2kym s THR 88 Cb -0.21 -3.35 -0.10 0.00 0.01 0.00 0.00 72.50 68.85 2kym s THR 88 CO 0.37 -0.31 1.58 0.58 -0.69 0.00 0.00 174.62 176.15 2kym h VAL 89 N 0.02 0.11 -0.39 3.82 2.07 -1.05 0.16 116.25 120.98 2kym h VAL 89 Ca -0.45 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.15 2kym h VAL 89 Cb 1.27 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 2kym h VAL 89 CO 0.58 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 177.68 2kym h GLU 90 N -0.62 -0.09 -0.87 1.57 3.07 -1.95 0.11 114.58 115.80 2kym h GLU 90 Ca 0.03 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.96 2kym h GLU 90 Cb 0.68 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.55 2kym h GLU 90 CO -0.31 -0.06 0.54 1.96 -1.40 0.00 0.00 179.01 179.74 2kym h GLN 91 N -0.09 0.96 -0.47 2.33 1.08 -1.81 -1.05 115.11 116.06 2kym h GLN 91 Ca 0.19 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.26 2kym h GLN 91 Cb 0.39 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 2kym h GLN 91 CO -0.45 0.63 -0.02 2.35 -0.95 0.00 0.00 178.83 180.39 2kym h TRP 92 N 0.99 0.83 0.01 2.96 7.01 0.84 -1.03 115.95 127.56 2kym h TRP 92 Ca 0.38 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 61.26 2kym h TRP 92 Cb 0.17 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.01 2kym h TRP 92 CO -0.03 0.78 -0.00 0.87 -2.79 0.00 0.00 178.44 177.27 2kym h LYS 93 N 0.73 -0.01 -0.47 2.65 1.79 0.16 -0.91 116.57 120.51 2kym h LYS 93 Ca 0.14 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2kym h LYS 93 Cb 0.47 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 2kym h LYS 93 CO 0.02 0.28 0.25 -0.44 -1.08 0.00 0.00 179.45 178.49 2kym h ASP 94 N -0.30 0.58 -0.24 0.86 5.19 -1.15 0.18 116.42 121.54 2kym h ASP 94 Ca -0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2kym h ASP 94 Cb 0.29 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 2kym h ASP 94 CO 0.00 0.51 0.16 1.56 -3.12 0.00 0.00 179.24 178.35 2kym h GLN 95 N 0.61 0.32 -0.16 3.56 1.08 -1.16 -1.17 115.11 118.19 2kym h GLN 95 Ca 0.16 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 2kym h GLN 95 Cb 0.05 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2kym h GLN 95 CO -0.03 0.22 0.01 1.79 -0.95 0.00 0.00 178.83 179.87 2kym h THR 96 N 0.32 1.25 -0.26 -0.54 1.35 -0.97 0.96 112.91 115.02 2kym h THR 96 Ca 0.09 -0.81 0.06 0.00 -0.55 0.00 0.00 66.41 65.19 2kym h THR 96 Cb -0.02 1.47 -0.06 0.00 -1.73 0.00 0.00 68.15 67.81 2kym h THR 96 CO -0.02 0.24 -0.12 0.03 -0.25 0.00 0.00 175.52 175.40 2kym h ARG 97 N 0.04 -0.08 -0.11 4.72 2.47 -0.52 0.11 114.38 121.01 2kym h ARG 97 Ca 0.05 0.01 -0.12 0.00 -1.26 0.00 0.00 59.98 58.65 2kym h ARG 97 Cb 0.36 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 2kym h ARG 97 CO 0.01 -0.05 -0.46 0.00 0.56 0.00 0.00 179.97 180.03 2kym h ARG 98 N -0.08 0.26 -0.53 0.04 3.08 -1.19 -0.26 114.38 115.70 2kym h ARG 98 Ca 0.14 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2kym h ARG 98 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2kym h ARG 98 CO -0.31 0.67 0.04 -0.92 -1.07 0.00 0.00 179.97 178.37 2kym h TYR 99 N 0.21 0.92 0.00 3.04 3.20 0.23 -2.83 116.97 121.73 2kym h TYR 99 Ca 0.01 -0.12 -0.14 0.00 3.14 0.00 0.00 58.73 61.62 2kym h TYR 99 Cb 0.89 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 2kym h TYR 99 CO 0.02 0.82 -0.98 0.87 -1.64 0.00 0.00 178.16 177.25 2kym h LYS 100 N 0.81 0.00 0.00 1.82 1.57 -0.67 -3.47 116.57 116.63 2kym h LYS 100 Ca 0.16 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.59 2kym h LYS 100 Cb 0.43 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.89 2kym h LYS 100 CO 0.02 0.43 0.33 0.39 -0.57 0.00 0.00 179.45 180.04 2kym n GLU 101 N -3.07 -1.17 -3.67 3.15 -0.58 -0.12 -5.04 120.64 110.14 2kym n GLU 101 Ca -0.04 -1.66 -0.39 0.00 -0.42 0.00 0.00 57.16 54.66 2kym n GLU 101 Cb 0.80 -1.13 -0.11 0.00 -0.57 0.00 0.00 31.44 30.43 2kym n GLU 101 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2kym s SER 102 N -4.89 5.50 0.33 1.62 0.01 -1.26 -4.93 113.70 110.08 2kym s SER 102 Ca 0.61 -1.26 -0.12 0.00 1.31 0.00 0.00 55.95 56.48 2kym s SER 102 Cb -0.02 -1.94 0.05 0.00 0.21 0.00 0.00 66.02 64.32 2kym s SER 102 CO 0.43 -0.42 0.67 -1.20 0.41 0.00 0.00 173.24 173.13 2kym n SER 103 N 4.88 -1.95 -4.87 2.44 7.64 -1.26 -5.16 113.62 115.34 2kym n SER 103 Ca -0.11 -2.35 -0.21 0.00 1.01 0.00 0.00 58.87 57.21 2kym n SER 103 Cb 0.44 3.24 -0.03 0.00 -1.01 0.00 0.00 64.21 66.85 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 -2.24 4.42 0.00 0.44 -1.09 -1.26 -5.13 121.20 116.34 2kym s ILE 104 Ca 0.13 -1.29 0.00 0.00 -2.23 0.00 0.00 60.65 57.27 2kym s ILE 104 Cb -0.04 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 2kym s ILE 104 CO 0.10 -0.30 0.00 0.00 -1.23 0.00 0.00 174.94 173.51 2kym n GLN 105 N -1.29 -0.73 -3.50 2.79 6.02 -1.26 -5.06 117.38 114.35 2kym n GLN 105 Ca -0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.64 2kym n GLN 105 Cb 0.58 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.71 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 -0.93 0.05 -0.13 5.09 -1.09 -1.26 -5.11 121.20 117.82 2kym s ILE 106 Ca 0.00 -1.29 -0.01 0.00 -2.23 0.00 0.00 60.65 57.13 2kym s ILE 106 Cb 0.00 -1.06 0.03 0.00 -1.58 0.00 0.00 42.46 39.85 2kym s ILE 106 CO 0.00 -0.87 -0.06 -0.83 -1.23 0.00 0.00 174.94 171.95 2kym s GLY 107 N 1.53 0.85 -0.11 6.18 0.00 -1.26 -5.12 107.32 109.40 2kym s GLY 107 Ca 0.14 -0.63 0.04 0.00 0.00 0.00 0.00 44.72 44.26 2kym s GLY 107 CO -0.16 0.89 -0.23 0.21 0.00 0.00 0.00 173.10 173.81 2kym s ASN 108 N 1.70 3.18 -0.10 1.64 3.84 -1.26 -5.11 114.94 118.83 2kym s ASN 108 Ca 0.03 -0.54 -0.03 0.00 0.21 0.00 0.00 52.86 52.53 2kym s ASN 108 Cb -0.14 -1.43 0.05 0.00 -0.55 0.00 0.00 41.25 39.18 2kym s ASN 108 CO -0.08 0.16 0.12 -0.83 -2.79 0.00 0.00 177.10 173.67 2kym s GLY 109 N 0.37 0.17 -0.38 1.21 0.00 -1.26 -5.04 107.32 102.39 2kym s GLY 109 Ca -0.18 0.21 0.13 0.00 0.00 0.00 0.00 44.72 44.88 2kym s GLY 109 CO 0.08 1.63 0.83 1.57 0.00 0.00 0.00 173.10 177.22 2kym n HIS 110 N 5.31 1.01 -2.70 1.90 -0.00 -1.26 -5.09 115.22 114.39 2kym n HIS 110 Ca -0.05 -3.51 0.00 0.00 -0.00 0.00 0.00 57.72 54.16 2kym n HIS 110 Cb 0.50 -0.40 0.00 0.00 -0.00 0.00 0.00 29.99 30.09 2kym n HIS 110 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kym n GLY 111 N 0.09 5.37 2.85 1.57 0.00 -1.26 -5.16 105.19 108.65 2kym n GLY 111 Ca 0.22 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 2kym n GLY 111 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kym s GLN 112 N 1.30 0.29 0.30 1.61 0.74 -1.26 -5.14 119.66 117.50 2kym s GLN 112 Ca 0.00 0.39 -0.29 0.00 0.05 0.00 0.00 55.36 55.51 2kym s GLN 112 Cb 0.00 -0.76 -0.10 0.00 1.10 0.00 0.00 33.01 33.24 2kym s GLN 112 CO 0.00 -0.66 1.44 -1.12 -0.55 0.00 0.00 175.29 174.40 2kym s SER 113 N 2.46 6.59 0.76 6.67 0.01 -1.26 -5.00 113.70 123.93 2kym s SER 113 Ca 0.10 2.78 -0.11 0.00 1.31 0.00 0.00 55.95 60.03 2kym s SER 113 Cb -0.16 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.48 2kym s SER 113 CO -0.15 -0.72 1.10 -1.10 0.41 0.00 0.00 173.24 172.78 2kym s GLN 114 N -1.06 2.39 -0.36 12.44 -1.52 -1.26 -5.03 119.66 125.25 2kym s GLN 114 Ca 0.56 0.58 0.13 0.00 -1.95 0.00 0.00 55.36 54.69 2kym s GLN 114 Cb -0.43 -1.96 0.37 0.00 -0.22 0.00 0.00 33.01 30.78 2kym s GLN 114 CO 0.50 -1.40 0.78 0.41 -0.25 0.00 0.00 175.29 175.33 2kym n GLY 115 N -2.42 3.20 3.69 3.09 0.00 -1.26 -5.11 105.19 106.38 2kym n GLY 115 Ca 0.07 -1.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.21 2kym n GLY 115 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kym s LEU 116 N -2.59 3.03 0.00 0.99 0.05 -1.26 -5.38 118.68 113.53 2kym s LEU 116 Ca 0.37 -1.14 0.17 0.00 0.05 0.00 0.00 54.13 53.59 2kym s LEU 116 Cb 0.37 -1.29 0.13 0.00 -2.05 0.00 0.00 46.19 43.36 2kym s LEU 116 CO -0.06 -0.46 1.03 -1.84 -0.55 0.00 0.00 176.35 174.48