#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 3.85 -1.16 3.17 0.00 -1.26 -5.00 121.76 121.36 2kym s ALA -1 Ca 0.00 -1.11 -0.23 0.00 0.00 0.00 0.00 51.96 50.62 2kym s ALA -1 Cb 0.00 -1.88 -0.10 0.00 0.00 0.00 0.00 23.12 21.15 2kym s ALA -1 CO 0.00 0.12 1.93 -0.35 0.00 0.00 0.00 175.76 177.47 2kym n PRO 1 N -1.57 1.58 -2.04 0.00 -0.04 -1.26 -4.94 135.00 126.73 2kym n PRO 1 Ca -0.07 -2.42 -0.32 0.00 -0.04 0.00 0.00 63.50 60.65 2kym n PRO 1 Cb 0.57 -3.68 0.00 0.00 -0.04 0.00 0.00 33.50 30.35 2kym n PRO 1 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2kym s LEU 2 N 10.41 3.44 0.03 1.53 0.05 -1.26 -4.83 118.68 128.06 2kym s LEU 2 Ca 0.68 1.66 0.03 0.00 0.05 0.00 0.00 54.13 56.55 2kym s LEU 2 Cb 0.00 -4.51 -0.02 0.00 -2.05 0.00 0.00 46.19 39.61 2kym s LEU 2 CO 0.14 -1.01 -0.10 -0.36 -0.55 0.00 0.00 176.35 174.46 2kym s PHE 3 N -2.69 0.89 0.16 3.48 0.40 -1.23 -3.52 117.98 115.47 2kym s PHE 3 Ca 0.60 -0.35 0.10 0.00 -0.60 0.00 0.00 56.93 56.68 2kym s PHE 3 Cb -0.13 -0.53 -0.04 0.00 0.51 0.00 0.00 43.02 42.82 2kym s PHE 3 CO 0.40 -0.01 -0.22 0.00 0.70 0.00 0.00 175.22 176.09 2kym s ALA 4 N -0.89 2.22 -0.09 5.36 0.00 -0.13 -1.99 121.76 126.24 2kym s ALA 4 Ca -0.02 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.46 2kym s ALA 4 Cb -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.78 2kym s ALA 4 CO 0.01 0.36 -0.20 0.54 0.00 0.00 0.00 175.76 176.47 2kym s VAL 5 N -1.66 1.71 0.26 0.00 0.11 -0.47 -0.75 120.40 119.60 2kym s VAL 5 Ca 0.16 -0.82 -0.30 0.00 -2.93 0.00 0.00 61.98 58.10 2kym s VAL 5 Cb -0.08 -1.50 -0.09 0.00 -1.53 0.00 0.00 36.38 33.18 2kym s VAL 5 CO 0.07 0.48 1.18 0.42 -3.33 0.00 0.00 175.10 173.92 2kym s THR 6 N 0.44 3.36 -0.30 5.04 -4.23 -1.12 -0.01 115.64 118.81 2kym s THR 6 Ca -0.17 1.28 0.08 0.00 -1.18 0.00 0.00 61.69 61.70 2kym s THR 6 Cb -0.17 -3.81 -0.10 0.00 1.34 0.00 0.00 72.50 69.76 2kym s THR 6 CO 0.07 0.27 0.31 0.18 -0.54 0.00 0.00 174.62 174.90 2kym n LEU 7 N 1.60 0.30 -4.08 4.79 4.77 -1.23 -0.33 117.00 122.83 2kym n LEU 7 Ca 0.01 -0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 55.49 2kym n LEU 7 Cb 0.44 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 2kym n LEU 7 CO 0.56 0.08 -0.38 -0.31 -1.33 0.00 0.00 177.39 176.00 2kym s TYR 8 N -1.92 0.61 -0.60 -1.77 1.51 -1.26 -4.61 117.35 109.30 2kym s TYR 8 Ca 0.02 -0.74 -0.27 0.00 -1.01 0.00 0.00 57.07 55.07 2kym s TYR 8 Cb 0.06 -0.38 0.03 0.00 -0.11 0.00 0.00 41.96 41.56 2kym s TYR 8 CO 0.33 -0.19 1.14 -2.00 -1.11 0.00 0.00 175.55 173.72 2kym s GLU 9 N -2.66 3.40 -0.41 -0.62 2.12 -1.26 -3.78 118.70 115.48 2kym s GLU 9 Ca -0.02 -0.01 -0.06 0.00 0.36 0.00 0.00 54.97 55.24 2kym s GLU 9 Cb -0.02 -4.06 0.09 0.00 0.26 0.00 0.00 34.13 30.40 2kym s GLU 9 CO -0.04 -1.72 0.23 0.12 -0.54 0.00 0.00 175.26 173.32 2kym s PHE 10 N 4.80 3.43 0.16 5.30 2.19 -0.19 -4.97 117.98 128.71 2kym s PHE 10 Ca 0.38 -1.92 -0.30 0.00 0.33 0.00 0.00 56.93 55.42 2kym s PHE 10 Cb -0.09 -3.06 -0.07 0.00 -1.31 0.00 0.00 43.02 38.48 2kym s PHE 10 CO 0.21 -0.91 0.99 0.15 1.83 0.00 0.00 175.22 177.49 2kym s LYS 11 N 1.30 4.72 0.92 10.12 -0.14 -1.26 -0.87 119.74 134.53 2kym s LYS 11 Ca 0.04 1.52 -0.10 0.00 -1.36 0.00 0.00 55.97 56.07 2kym s LYS 11 Cb -0.23 -3.33 0.15 0.00 -1.68 0.00 0.00 37.83 32.74 2kym s LYS 11 CO -0.01 0.26 1.12 0.00 -0.76 0.00 0.00 175.35 175.97 2kym s ALA 12 N -0.37 1.38 0.00 5.17 0.00 -1.26 -4.85 121.76 121.83 2kym s ALA 12 Ca 0.46 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2kym s ALA 12 Cb -0.25 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2kym s ALA 12 CO 0.32 -2.71 0.00 -0.85 0.00 0.00 0.00 175.76 172.51 2kym n GLU 13 N -4.19 1.09 -3.95 0.00 0.28 -1.26 -4.93 120.64 107.67 2kym n GLU 13 Ca 0.10 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.90 2kym n GLU 13 Cb 0.53 -0.88 -0.06 0.00 1.43 0.00 0.00 31.44 32.45 2kym n GLU 13 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2kym n ARG 14 N -2.05 0.58 0.16 3.44 5.12 -1.26 -5.01 116.66 117.63 2kym n ARG 14 Ca 0.00 -2.83 0.12 0.00 -1.93 0.00 0.00 57.85 53.21 2kym n ARG 14 Cb 0.38 1.69 0.56 0.00 -1.16 0.00 0.00 32.46 33.93 2kym n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2kym h ASP 15 N 1.41 0.00 -0.65 0.55 3.32 -2.03 -1.56 116.42 117.47 2kym h ASP 15 Ca -0.25 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.69 2kym h ASP 15 Cb 1.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.48 2kym h ASP 15 CO 0.39 0.00 0.15 -0.90 -1.72 0.00 0.00 179.24 177.16 2kym n ASP 16 N -2.31 5.13 -3.97 6.45 5.75 -1.26 -4.90 116.55 121.43 2kym n ASP 16 Ca 0.00 -3.04 -0.14 0.00 -0.01 0.00 0.00 54.79 51.60 2kym n ASP 16 Cb 0.15 -0.71 -0.13 0.00 -1.03 0.00 0.00 41.12 39.39 2kym n ASP 16 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kym s GLU 17 N -2.80 0.37 -0.12 0.11 8.01 -0.59 -3.61 118.70 120.08 2kym s GLU 17 Ca 0.53 -0.31 0.03 0.00 0.01 0.00 0.00 54.97 55.22 2kym s GLU 17 Cb 0.41 -0.29 0.01 0.00 -4.31 0.00 0.00 34.13 29.95 2kym s GLU 17 CO 0.14 0.07 -0.21 -1.17 0.01 0.00 0.00 175.26 174.10 2kym s LEU 18 N -0.51 2.01 0.34 1.80 2.96 -1.26 -4.66 118.68 119.36 2kym s LEU 18 Ca -0.02 -0.55 -0.29 0.00 -0.22 0.00 0.00 54.13 53.06 2kym s LEU 18 Cb -0.04 -1.34 -0.10 0.00 0.50 0.00 0.00 46.19 45.20 2kym s LEU 18 CO -0.00 0.08 1.35 1.51 -1.32 0.00 0.00 176.35 177.97 2kym s ASP 19 N 0.73 6.68 0.06 3.68 -4.77 -1.26 -4.41 116.67 117.37 2kym s ASP 19 Ca -0.10 2.77 -0.04 0.00 -3.30 0.00 0.00 52.55 51.88 2kym s ASP 19 Cb -0.16 -2.65 -0.02 0.00 -1.09 0.00 0.00 42.92 38.99 2kym s ASP 19 CO 0.01 -0.61 0.05 0.68 0.70 0.00 0.00 175.17 176.00 2kym s VAL 20 N -1.13 0.18 0.20 2.11 -7.23 -0.05 -4.90 120.40 109.58 2kym s VAL 20 Ca 0.50 -1.46 0.07 0.00 -1.81 0.00 0.00 61.98 59.28 2kym s VAL 20 Cb -0.41 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.20 2kym s VAL 20 CO 0.55 -0.81 -0.14 -0.44 -0.31 0.00 0.00 175.10 173.95 2kym s SER 21 N -2.67 2.47 -0.15 4.85 0.01 -1.26 -1.02 113.70 115.94 2kym s SER 21 Ca 0.03 -1.01 -0.29 0.00 1.31 0.00 0.00 55.95 55.98 2kym s SER 21 Cb 0.04 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 2kym s SER 21 CO -0.09 -0.19 1.56 -2.16 0.41 0.00 0.00 173.24 172.78 2kym s PRO 22 N -3.63 4.02 0.00 12.44 0.04 -1.25 -2.75 135.00 143.88 2kym s PRO 22 Ca 0.21 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2kym s PRO 22 Cb -0.00 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.57 2kym s PRO 22 CO 0.06 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.50 2kym n GLY 23 N 4.26 1.07 3.94 0.56 0.00 0.55 -4.94 105.19 110.62 2kym n GLY 23 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.57 3.25 -0.25 1.61 0.41 -1.11 -4.94 118.70 117.10 2kym s GLU 24 Ca 0.00 -0.29 -0.06 0.00 -0.41 0.00 0.00 54.97 54.21 2kym s GLU 24 Cb 0.00 -2.53 -0.02 0.00 -1.78 0.00 0.00 34.13 29.80 2kym s GLU 24 CO 0.00 -0.18 0.04 -0.80 -0.49 0.00 0.00 175.26 173.83 2kym s ASN 25 N -4.16 4.90 0.19 -0.19 -0.87 -1.26 -2.79 114.94 110.76 2kym s ASN 25 Ca 0.46 -0.31 0.11 0.00 -1.57 0.00 0.00 52.86 51.55 2kym s ASN 25 Cb -0.10 -1.87 -0.04 0.00 -0.02 0.00 0.00 41.25 39.22 2kym s ASN 25 CO 0.39 -0.05 -0.23 -0.76 -2.57 0.00 0.00 177.10 173.88 2kym s LEU 26 N 1.57 2.43 -0.28 0.60 1.43 0.08 -3.39 118.68 121.12 2kym s LEU 26 Ca 0.06 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.23 2kym s LEU 26 Cb -0.15 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.97 2kym s LEU 26 CO 0.02 0.09 0.05 -0.55 0.23 0.00 0.00 176.35 176.19 2kym s SER 27 N -2.65 4.98 0.38 2.29 0.15 -0.46 -0.96 113.70 117.43 2kym s SER 27 Ca 0.20 -0.63 -0.26 0.00 0.70 0.00 0.00 55.95 55.95 2kym s SER 27 Cb -0.08 -1.85 -0.09 0.00 -1.71 0.00 0.00 66.02 62.29 2kym s SER 27 CO 0.09 -0.15 1.17 -0.63 1.20 0.00 0.00 173.24 174.92 2kym s ILE 28 N 1.50 3.15 0.00 6.45 -1.09 -1.23 -1.19 121.20 128.79 2kym s ILE 28 Ca 0.03 1.00 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 2kym s ILE 28 Cb -0.17 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 2kym s ILE 28 CO 0.01 0.12 0.00 0.00 -1.23 0.00 0.00 174.94 173.84 2kym s ALA 30 N -1.78 -1.79 0.43 0.00 0.00 -1.25 -4.53 121.76 112.84 2kym s ALA 30 Ca 0.00 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.22 2kym s ALA 30 Cb 0.00 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 2kym s ALA 30 CO 0.00 -1.05 0.04 -3.38 0.00 0.00 0.00 175.76 171.37 2kym s HIS 31 N -3.01 2.03 -0.28 0.00 -3.43 -0.86 -0.17 115.29 109.57 2kym s HIS 31 Ca 0.13 -0.96 -0.03 0.00 -0.80 0.00 0.00 55.06 53.41 2kym s HIS 31 Cb 0.00 -1.49 0.11 0.00 -1.43 0.00 0.00 32.58 29.77 2kym s HIS 31 CO 0.01 0.12 0.18 -0.47 -2.00 0.00 0.00 174.74 172.58 2kym s TYR 32 N -3.00 0.08 -1.95 0.38 5.04 0.86 -1.29 117.35 117.47 2kym s TYR 32 Ca 0.23 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 2kym s TYR 32 Cb 0.05 -0.75 0.00 0.00 0.35 0.00 0.00 41.96 41.61 2kym s TYR 32 CO 0.12 -0.84 0.00 -0.25 -1.34 0.00 0.00 175.55 173.24 2kym n ASP 33 N 5.27 -5.58 -1.40 4.32 8.00 -1.26 -1.05 116.55 124.86 2kym n ASP 33 Ca -0.05 0.45 -0.15 0.00 0.71 0.00 0.00 54.79 55.75 2kym n ASP 33 Cb 0.44 -4.69 -0.04 0.00 -0.02 0.00 0.00 41.12 36.80 2kym n ASP 33 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kym n TYR 34 N -2.35 -0.29 -0.02 1.24 4.02 -1.26 -4.84 117.16 113.67 2kym n TYR 34 Ca -0.18 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.68 2kym n TYR 34 Cb 0.66 -2.88 -0.02 0.00 -0.02 0.00 0.00 39.34 37.09 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 -2.52 0.10 -5.04 -0.72 1.02 -0.21 -4.90 120.64 108.36 2kym n GLU 35 Ca -0.16 0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.68 2kym n GLU 35 Cb 0.56 -1.02 -0.14 0.00 -0.02 0.00 0.00 31.44 30.81 2kym n GLU 35 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kym s TRP 36 N -2.08 2.54 0.02 -0.32 0.52 -1.05 -1.84 118.94 116.74 2kym s TRP 36 Ca -0.05 -0.28 0.08 0.00 0.02 0.00 0.00 56.10 55.87 2kym s TRP 36 Cb 0.02 -1.57 -0.03 0.00 -1.15 0.00 0.00 33.47 30.74 2kym s TRP 36 CO 0.09 0.10 -0.25 -0.06 0.02 0.00 0.00 176.95 176.85 2kym s PHE 37 N -0.70 2.37 -0.71 -1.98 0.08 0.12 -0.10 117.98 117.07 2kym s PHE 37 Ca 0.11 -0.39 -0.17 0.00 0.12 0.00 0.00 56.93 56.60 2kym s PHE 37 Cb -0.10 -1.45 0.15 0.00 -0.57 0.00 0.00 43.02 41.05 2kym s PHE 37 CO 0.00 0.09 0.76 0.42 -0.10 0.00 0.00 175.22 176.39 2kym s ILE 38 N -0.75 5.10 -0.10 0.64 -1.09 0.76 -1.39 121.20 124.36 2kym s ILE 38 Ca 0.11 -1.61 -0.01 0.00 -2.23 0.00 0.00 60.65 56.91 2kym s ILE 38 Cb -0.10 -4.51 -0.03 0.00 -1.58 0.00 0.00 42.46 36.24 2kym s ILE 38 CO 0.01 -1.12 -0.04 0.00 -1.23 0.00 0.00 174.94 172.56 2kym s ALA 39 N 1.77 3.06 0.23 9.38 0.00 -1.26 -0.07 121.76 134.87 2kym s ALA 39 Ca 0.15 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.36 2kym s ALA 39 Cb -0.18 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2kym s ALA 39 CO -0.01 0.45 0.02 -1.59 0.00 0.00 0.00 175.76 174.62 2kym s LYS 40 N -0.41 2.40 0.22 0.00 -2.85 -0.33 -3.65 119.74 115.12 2kym s LYS 40 Ca 0.07 -1.25 -0.30 0.00 -1.00 0.00 0.00 55.97 53.48 2kym s LYS 40 Cb -0.12 -2.28 -0.09 0.00 -2.06 0.00 0.00 37.83 33.28 2kym s LYS 40 CO 0.02 0.41 1.29 -1.25 0.10 0.00 0.00 175.35 175.91 2kym s PRO 41 N -3.38 4.41 -0.15 1.78 0.04 -1.26 -1.35 135.00 135.08 2kym s PRO 41 Ca 0.30 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.40 2kym s PRO 41 Cb -0.08 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.18 2kym s PRO 41 CO 0.20 -0.20 -0.13 -0.89 0.04 0.00 0.00 177.00 176.02 2kym n ILE 42 N 2.29 0.88 0.01 0.56 5.41 -1.22 -4.80 119.36 122.50 2kym n ILE 42 Ca 0.05 -0.35 -0.01 0.00 1.00 0.00 0.00 62.75 63.44 2kym n ILE 42 Cb 0.43 -1.02 -0.00 0.00 -0.71 0.00 0.00 39.64 38.33 2kym n ILE 42 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2kym h ASN 43 N 0.00 -0.04 -3.96 4.38 2.35 -1.93 -3.47 115.58 112.92 2kym h ASN 43 Ca -0.34 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 54.96 2kym h ASN 43 Cb 1.55 0.01 0.17 0.00 0.05 0.00 0.00 38.32 40.10 2kym h ASN 43 CO -0.05 0.00 0.43 0.00 -1.65 0.00 0.00 177.43 176.16 2kym s ARG 43 N -1.85 0.51 -0.13 0.81 1.70 -1.26 -5.08 118.95 113.65 2kym s ARG 43 Ca -0.01 -0.46 0.01 0.00 -0.47 0.00 0.00 55.73 54.80 2kym s ARG 43 Cb 0.00 -1.84 0.02 0.00 -0.57 0.00 0.00 34.95 32.56 2kym s ARG 43 CO 0.02 -2.49 -0.14 -0.51 -1.08 0.00 0.00 175.30 171.10 2kym s LEU 44 N -5.92 1.63 0.00 -1.89 1.43 -1.26 -4.84 118.68 107.82 2kym s LEU 44 Ca 0.75 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2kym s LEU 44 Cb -0.03 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.08 2kym s LEU 44 CO 0.53 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.68 2kym n GLY 45 N 4.64 -1.60 0.00 -3.19 0.00 -1.26 -5.17 105.19 98.61 2kym n GLY 45 Ca -0.17 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.02 1.75 3.77 -0.02 0.00 -1.26 -5.14 105.19 103.27 2kym n GLY 46 Ca 0.00 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 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 3.63 0.00 1.61 0.04 -1.26 -4.44 135.00 132.57 2kym s PRO 47 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2kym s PRO 47 Cb 0.00 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2kym s PRO 47 CO 0.00 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.80 2kym n GLY 48 N 0.34 5.49 3.00 0.56 0.00 -1.24 -4.85 105.19 108.49 2kym n GLY 48 Ca 0.09 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 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 0.08 -0.02 0.99 0.20 -1.24 -4.47 118.68 114.22 2kym s LEU 49 Ca 0.00 0.52 0.01 0.00 0.69 0.00 0.00 54.13 55.35 2kym s LEU 49 Cb 0.00 0.65 0.01 0.00 -0.43 0.00 0.00 46.19 46.42 2kym s LEU 49 CO 0.00 -0.20 -0.03 0.54 -0.29 0.00 0.00 176.35 176.36 2kym s VAL 50 N 1.84 0.36 0.62 1.68 0.11 -0.48 -4.21 120.40 120.31 2kym s VAL 50 Ca -0.04 -0.09 -0.17 0.00 -2.93 0.00 0.00 61.98 58.75 2kym s VAL 50 Cb -0.11 -0.38 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 2kym s VAL 50 CO -0.08 0.15 1.12 -2.16 -3.33 0.00 0.00 175.10 170.80 2kym s PRO 51 N 0.53 3.01 0.56 1.54 0.04 -1.26 0.15 135.00 139.57 2kym s PRO 51 Ca -0.06 1.47 0.34 0.00 0.04 0.00 0.00 61.00 62.79 2kym s PRO 51 Cb -0.09 -1.97 1.61 0.00 0.04 0.00 0.00 34.50 34.09 2kym s PRO 51 CO -0.01 -1.10 2.09 0.28 0.04 0.00 0.00 177.00 178.31 2kym h VAL 52 N 0.46 0.21 0.00 -0.36 2.07 -1.69 -1.54 116.25 115.40 2kym h VAL 52 Ca -0.48 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2kym h VAL 52 Cb 1.25 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2kym h VAL 52 CO 0.55 0.05 0.00 -1.20 0.02 0.00 0.00 177.57 177.00 2kym n SER 53 N -3.27 0.00 -0.42 0.57 7.64 -1.26 -2.90 113.62 113.98 2kym n SER 53 Ca -0.01 -0.63 0.06 0.00 1.01 0.00 0.00 58.87 59.30 2kym n SER 53 Cb 0.24 -0.10 0.11 0.00 -1.01 0.00 0.00 64.21 63.45 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 -1.10 0.00 -3.89 1.43 4.02 -0.58 -4.92 117.16 112.12 2kym n TYR 54 Ca 0.19 -0.80 -0.09 0.00 -0.01 0.00 0.00 57.90 57.18 2kym n TYR 54 Cb 0.14 -0.14 -0.06 0.00 -0.02 0.00 0.00 39.34 39.25 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 -1.96 0.05 -0.15 -0.72 -7.23 -1.14 -3.49 120.40 105.75 2kym s VAL 55 Ca 0.26 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 59.21 2kym s VAL 55 Cb 0.24 -1.77 0.05 0.00 0.56 0.00 0.00 36.38 35.46 2kym s VAL 55 CO -0.02 -0.24 0.01 -0.60 -0.31 0.00 0.00 175.10 173.94 2kym s ARG 56 N -3.94 0.83 0.06 4.82 3.52 0.98 -4.83 118.95 120.39 2kym s ARG 56 Ca 0.15 -0.30 -0.31 0.00 -0.13 0.00 0.00 55.73 55.14 2kym s ARG 56 Cb 0.02 -1.77 -0.07 0.00 -1.56 0.00 0.00 34.95 31.56 2kym s ARG 56 CO -0.01 -0.50 1.42 0.42 -0.81 0.00 0.00 175.30 175.83 2kym s ILE 57 N 1.83 3.46 0.29 4.11 -1.09 -1.26 -1.37 121.20 127.17 2kym s ILE 57 Ca 0.01 0.96 0.03 0.00 -2.23 0.00 0.00 60.65 59.42 2kym s ILE 57 Cb -0.15 -3.62 -0.01 0.00 -1.58 0.00 0.00 42.46 37.10 2kym s ILE 57 CO -0.07 0.03 0.31 2.30 -1.23 0.00 0.00 174.94 176.28 2kym n ILE 58 N 4.35 0.00 -4.42 2.92 -5.35 -0.84 -4.33 119.36 111.68 2kym n ILE 58 Ca 0.13 -1.84 -0.22 0.00 -0.27 0.00 0.00 62.75 60.55 2kym n ILE 58 Cb 0.43 0.99 -0.16 0.00 -1.74 0.00 0.00 39.64 39.16 2kym n ILE 58 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2kym s ASP 59 N -2.92 1.35 0.64 7.28 -1.08 -1.25 -3.52 116.67 117.17 2kym s ASP 59 Ca 0.30 -0.21 0.39 0.00 -0.52 0.00 0.00 52.55 52.50 2kym s ASP 59 Cb 0.01 -0.51 2.16 0.00 -1.46 0.00 0.00 42.92 43.12 2kym s ASP 59 CO 0.21 0.03 2.29 -0.07 0.52 0.00 0.00 175.17 178.16 2kym h LEU 60 N 6.73 0.00 0.00 -1.34 3.38 -1.89 0.31 115.31 122.51 2kym h LEU 60 Ca -0.34 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.34 2kym h LEU 60 Cb 1.17 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 2kym h LEU 60 CO 0.48 0.00 -1.70 0.23 0.09 0.00 0.00 178.44 177.54 2kym n MET 61 N -3.33 0.63 -2.97 1.13 2.81 -1.26 -4.70 117.12 109.44 2kym n MET 61 Ca -0.03 0.30 -0.14 0.00 -1.81 0.00 0.00 57.70 56.03 2kym n MET 61 Cb 0.11 -1.80 -0.02 0.00 -0.71 0.00 0.00 33.22 30.81 2kym n MET 61 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2kym n ASP 62 N -3.06 -2.05 0.03 7.83 -0.08 -0.30 -4.97 116.55 113.95 2kym n ASP 62 Ca -0.17 -2.86 0.08 0.00 -1.51 0.00 0.00 54.79 50.33 2kym n ASP 62 Cb 1.05 0.86 0.35 0.00 2.34 0.00 0.00 41.12 45.72 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 2.32 0.05 0.00 -0.67 -0.04 0.96 -1.94 135.00 135.68 2kym n PRO 63 Ca 0.19 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 64.06 2kym n PRO 63 Cb 0.56 -1.59 0.21 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.57 3.37 -0.08 0.55 0.00 -1.26 -3.38 120.51 118.14 2kym n ALA 64 Ca 0.03 -0.49 -0.15 0.00 0.00 0.00 0.00 53.44 52.83 2kym n ALA 64 Cb 0.18 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 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 1.47 0.00 -0.72 0.00 3.64 -1.77 -3.36 116.57 115.83 2kym h LYS 65 Ca 0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 2kym h LYS 65 Cb 0.59 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.31 2kym h LYS 65 CO 0.00 0.89 0.21 0.66 -2.27 0.00 0.00 179.45 178.94 2kym n TYR 66 N -4.57 2.39 0.13 1.91 4.02 -1.25 -4.24 117.16 115.54 2kym n TYR 66 Ca -0.15 -1.08 0.10 0.00 -0.01 0.00 0.00 57.90 56.76 2kym n TYR 66 Cb 0.49 -0.65 0.03 0.00 -0.02 0.00 0.00 39.34 39.19 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 3.04 0.65 0.00 -0.72 0.00 -1.70 -3.32 119.26 117.21 2kym h ALA 67 Ca 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2kym h ALA 67 Cb 2.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 20.07 2kym h ALA 67 CO 0.69 0.13 -1.35 0.45 0.00 0.00 0.00 179.25 179.17 2kym n SER 68 N -2.83 0.61 -4.50 0.00 2.88 -1.26 -4.96 113.62 103.57 2kym n SER 68 Ca 0.00 0.24 -0.37 0.00 -1.33 0.00 0.00 58.87 57.42 2kym n SER 68 Cb 0.59 0.81 0.06 0.00 -0.75 0.00 0.00 64.21 64.92 2kym n SER 68 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2kym n VAL 69 N -2.60 2.23 -3.46 2.46 3.14 -1.25 -4.93 118.33 113.92 2kym n VAL 69 Ca -0.03 -0.43 -0.43 0.00 -2.96 0.00 0.00 64.34 60.48 2kym n VAL 69 Cb 0.61 -0.80 -0.05 0.00 -1.06 0.00 0.00 33.84 32.54 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 -1.38 6.21 0.40 6.55 1.01 -1.26 -4.91 116.67 123.28 2kym s ASP 70 Ca 0.68 -2.65 0.16 0.00 0.71 0.00 0.00 52.55 51.46 2kym s ASP 70 Cb -0.38 -2.09 1.04 0.00 1.01 0.00 0.00 42.92 42.50 2kym s ASP 70 CO 0.55 -0.53 1.84 0.71 0.21 0.00 0.00 175.17 177.94 2kym h THR 71 N 5.07 0.67 -0.65 -1.27 1.35 -1.88 0.02 112.91 116.21 2kym h THR 71 Ca 0.03 -0.15 0.04 0.00 -0.55 0.00 0.00 66.41 65.77 2kym h THR 71 Cb 1.02 0.18 -0.05 0.00 -1.73 0.00 0.00 68.15 67.57 2kym h THR 71 CO 0.76 0.08 0.39 0.22 -0.25 0.00 0.00 175.52 176.72 2kym h TYR 72 N 0.45 0.72 -2.20 4.73 3.20 -1.91 -3.40 116.97 118.55 2kym h TYR 72 Ca 0.50 0.02 -0.56 0.00 3.14 0.00 0.00 58.73 61.83 2kym h TYR 72 Cb 1.18 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 2kym h TYR 72 CO -0.00 0.39 1.42 -0.51 -1.64 0.00 0.00 178.16 177.81 2kym s ASP 73 N -5.66 5.48 0.56 -2.11 1.01 -0.01 -4.82 116.67 111.11 2kym s ASP 73 Ca -0.13 1.45 0.29 0.00 0.71 0.00 0.00 52.55 54.87 2kym s ASP 73 Cb 0.15 -2.52 1.46 0.00 1.01 0.00 0.00 42.92 43.03 2kym s ASP 73 CO 0.76 -2.01 1.91 0.08 0.21 0.00 0.00 175.17 176.12 2kym h ARG 74 N 14.81 0.00 0.34 8.23 -0.00 -1.84 -1.26 114.38 134.66 2kym h ARG 74 Ca -0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.61 2kym h ARG 74 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 2kym h ARG 74 CO 1.03 0.00 -0.16 0.93 -0.00 0.00 0.00 179.97 181.77 2kym h GLU 75 N 0.00 -0.44 0.61 0.08 5.08 -1.91 -1.33 114.58 116.67 2kym h GLU 75 Ca 0.31 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 2kym h GLU 75 Cb 1.37 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.72 2kym h GLU 75 CO -0.00 -0.12 -0.31 1.96 -1.00 0.00 0.00 179.01 179.53 2kym h GLN 76 N -0.79 -0.82 -0.74 2.33 4.20 -1.53 -1.69 115.11 116.08 2kym h GLN 76 Ca -0.05 0.06 0.18 0.00 0.06 0.00 0.00 58.65 58.90 2kym h GLN 76 Cb 0.52 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 2kym h GLN 76 CO 0.08 -0.55 0.51 -0.24 -0.67 0.00 0.00 178.83 177.96 2kym h VAL 77 N -0.85 0.71 0.29 -0.54 3.04 -1.41 -1.37 116.25 116.13 2kym h VAL 77 Ca -0.08 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.52 2kym h VAL 77 Cb 0.66 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 2kym h VAL 77 CO 0.12 0.04 -0.14 0.24 -1.01 0.00 0.00 177.57 176.82 2kym h MET 78 N 0.22 -0.37 -0.88 4.17 2.86 -0.73 -1.45 114.93 118.74 2kym h MET 78 Ca 0.36 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 58.13 2kym h MET 78 Cb 1.11 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.79 2kym h MET 78 CO -0.07 -0.05 0.57 0.87 1.06 0.00 0.00 176.91 179.29 2kym h LYS 79 N -0.76 0.83 0.25 1.72 6.56 -0.54 0.23 116.57 124.86 2kym h LYS 79 Ca -0.04 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.49 2kym h LYS 79 Cb 0.50 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 2kym h LYS 79 CO 0.07 0.55 -0.12 0.82 -2.06 0.00 0.00 179.45 178.71 2kym h ILE 80 N 0.86 0.81 -0.55 1.86 2.04 -1.24 0.20 117.51 121.49 2kym h ILE 80 Ca 0.41 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2kym h ILE 80 Cb 0.44 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 2kym h ILE 80 CO -0.18 0.12 0.26 0.40 0.00 0.00 0.00 178.15 178.75 2kym h ILE 81 N -0.64 1.19 -0.05 -0.67 2.04 -0.82 -0.03 117.51 118.52 2kym h ILE 81 Ca -0.03 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 2kym h ILE 81 Cb 0.45 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2kym h ILE 81 CO 0.06 0.22 -0.09 -0.78 0.00 0.00 0.00 178.15 177.56 2kym h ASP 82 N 0.78 0.17 0.38 1.72 3.58 -0.50 0.69 116.42 123.24 2kym h ASP 82 Ca 0.19 -0.55 -0.02 0.00 0.42 0.00 0.00 57.03 57.08 2kym h ASP 82 Cb 0.10 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2kym h ASP 82 CO -0.02 0.69 -0.18 -0.33 -2.88 0.00 0.00 179.24 176.51 2kym h GLU 83 N -0.34 -0.49 0.00 0.28 5.08 -0.40 -2.09 114.58 116.62 2kym h GLU 83 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2kym h GLU 83 Cb 0.65 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2kym h GLU 83 CO 0.02 -0.30 0.00 1.19 -1.00 0.00 0.00 179.01 178.92 2kym n PHE 84 N -5.29 0.34 -3.42 4.33 3.01 -0.04 -4.89 117.46 111.49 2kym n PHE 84 Ca -0.11 0.14 -0.18 0.00 1.01 0.00 0.00 57.45 58.31 2kym n PHE 84 Cb 0.23 -0.72 0.07 0.00 -0.01 0.00 0.00 39.48 39.05 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 -1.81 -4.33 -2.77 -1.08 4.76 -0.31 -4.42 118.16 108.19 2kym n LYS 85 Ca 0.03 0.80 -0.41 0.00 -2.87 0.00 0.00 58.31 55.85 2kym n LYS 85 Cb 0.18 -5.64 -0.04 0.00 -1.84 0.00 0.00 35.03 27.69 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 -3.42 4.78 0.75 -0.18 1.01 0.08 -4.36 121.20 119.86 2kym s ILE 86 Ca 0.21 1.97 -0.11 0.00 0.00 0.00 0.00 60.65 62.71 2kym s ILE 86 Cb -0.03 -4.28 0.05 0.00 0.01 0.00 0.00 42.46 38.21 2kym s ILE 86 CO 0.75 0.23 1.09 -2.16 0.00 0.00 0.00 174.94 174.86 2kym s PRO 87 N 0.63 2.36 0.56 2.79 0.04 -1.26 -4.81 135.00 135.31 2kym s PRO 87 Ca 0.48 1.21 0.01 0.00 0.04 0.00 0.00 61.00 62.74 2kym s PRO 87 Cb -0.21 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.46 2kym s PRO 87 CO 0.27 -1.57 0.79 0.99 0.04 0.00 0.00 177.00 177.52 2kym s THR 88 N -2.80 2.64 0.11 1.26 2.01 -1.26 -2.02 115.64 115.58 2kym s THR 88 Ca 0.62 -0.64 -0.32 0.00 0.31 0.00 0.00 61.69 61.66 2kym s THR 88 Cb -0.18 -3.00 -0.11 0.00 0.01 0.00 0.00 72.50 69.23 2kym s THR 88 CO 0.53 -0.00 1.58 0.58 -0.69 0.00 0.00 174.62 176.62 2kym h VAL 89 N 0.03 0.12 -0.31 3.82 2.07 -1.51 0.20 116.25 120.67 2kym h VAL 89 Ca -0.42 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.17 2kym h VAL 89 Cb 1.30 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 2kym h VAL 89 CO 0.53 0.00 -0.18 -0.33 0.02 0.00 0.00 177.57 177.60 2kym h GLU 90 N -0.67 -0.14 -0.90 1.57 5.08 -1.95 0.91 114.58 118.48 2kym h GLU 90 Ca 0.02 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2kym h GLU 90 Cb 0.70 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 2kym h GLU 90 CO -0.27 -0.09 0.59 1.96 -1.00 0.00 0.00 179.01 180.19 2kym h GLN 91 N -0.15 0.98 -0.40 2.33 1.08 -1.84 -1.12 115.11 115.98 2kym h GLN 91 Ca 0.16 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 2kym h GLN 91 Cb 0.40 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2kym h GLN 91 CO -0.40 0.65 -0.01 2.35 -0.95 0.00 0.00 178.83 180.46 2kym h TRP 92 N 1.01 0.79 -0.19 2.96 7.01 0.97 -0.38 115.95 128.13 2kym h TRP 92 Ca 0.39 -0.14 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 2kym h TRP 92 Cb 0.22 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 2kym h TRP 92 CO -0.00 0.81 0.10 0.87 -2.79 0.00 0.00 178.44 177.43 2kym h LYS 93 N 0.55 0.26 -0.71 2.65 1.79 -0.14 -1.18 116.57 119.80 2kym h LYS 93 Ca 0.11 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.48 2kym h LYS 93 Cb 0.50 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.07 2kym h LYS 93 CO 0.02 0.25 0.16 0.22 -1.08 0.00 0.00 179.45 179.03 2kym h ASP 94 N 0.20 1.08 -0.08 0.86 3.58 -1.19 -0.57 116.42 120.31 2kym h ASP 94 Ca 0.07 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2kym h ASP 94 Cb 0.07 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 40.83 2kym h ASP 94 CO -0.01 1.04 0.05 1.56 -2.88 0.00 0.00 179.24 179.00 2kym h GLN 95 N 1.08 0.10 -0.51 0.28 4.20 -0.82 -0.18 115.11 119.26 2kym h GLN 95 Ca 0.22 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.84 2kym h GLN 95 Cb 0.39 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2kym h GLN 95 CO 0.00 0.09 0.01 1.79 -0.67 0.00 0.00 178.83 180.05 2kym h THR 96 N 0.08 1.26 -0.15 -0.54 1.35 -1.11 0.19 112.91 114.00 2kym h THR 96 Ca 0.03 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 2kym h THR 96 Cb 0.01 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 2kym h THR 96 CO -0.01 0.38 0.09 0.03 -0.25 0.00 0.00 175.52 175.76 2kym h ARG 97 N 0.76 0.18 -0.06 4.72 2.47 -0.91 0.42 114.38 121.96 2kym h ARG 97 Ca 0.15 -0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.71 2kym h ARG 97 Cb 0.51 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 2kym h ARG 97 CO 0.02 0.12 -0.61 0.07 0.56 0.00 0.00 179.97 180.13 2kym h ARG 98 N 0.19 0.23 -0.21 0.04 0.11 -0.97 -2.94 114.38 110.82 2kym h ARG 98 Ca 0.06 -0.16 -0.10 0.00 0.10 0.00 0.00 59.98 59.88 2kym h ARG 98 Cb -0.01 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 2kym h ARG 98 CO -0.02 0.77 -0.29 -0.92 0.10 0.00 0.00 179.97 179.60 2kym h TYR 99 N 0.17 0.46 0.00 4.08 3.20 -0.27 -2.63 116.97 121.98 2kym h TYR 99 Ca -0.01 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.68 2kym h TYR 99 Cb 1.12 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2kym h TYR 99 CO 0.02 0.66 -0.39 0.87 -1.64 0.00 0.00 178.16 177.68 2kym h LYS 100 N 0.35 0.00 -7.12 1.82 1.79 -0.82 -3.45 116.57 109.14 2kym h LYS 100 Ca 0.05 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.13 2kym h LYS 100 Cb 0.70 0.00 0.21 0.00 -1.58 0.00 0.00 32.23 31.56 2kym h LYS 100 CO 0.05 0.39 -0.07 -1.21 -1.08 0.00 0.00 179.45 177.54 2kym s GLU 101 N -3.47 -2.72 -0.23 3.15 0.41 -0.99 -4.95 118.70 109.90 2kym s GLU 101 Ca 0.01 0.03 -0.23 0.00 -0.41 0.00 0.00 54.97 54.37 2kym s GLU 101 Cb 0.10 -1.41 -0.01 0.00 -1.78 0.00 0.00 34.13 31.03 2kym s GLU 101 CO 0.69 -4.71 0.73 -1.12 -0.49 0.00 0.00 175.26 170.36 2kym s SER 102 N -3.38 6.73 0.12 -0.19 0.01 -1.26 -5.00 113.70 110.74 2kym s SER 102 Ca 0.69 0.90 -0.09 0.00 1.31 0.00 0.00 55.95 58.77 2kym s SER 102 Cb -0.11 -2.39 0.03 0.00 0.21 0.00 0.00 66.02 63.76 2kym s SER 102 CO 0.57 -0.42 0.43 -1.54 0.41 0.00 0.00 173.24 172.69 2kym n SER 103 N 5.72 -0.90 -4.76 2.44 3.41 -1.26 -5.14 113.62 113.13 2kym n SER 103 Ca 0.02 -1.54 -0.35 0.00 -0.26 0.00 0.00 58.87 56.74 2kym n SER 103 Cb 0.48 1.47 0.02 0.00 -0.26 0.00 0.00 64.21 65.93 2kym n SER 103 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2kym s ILE 104 N -2.43 2.87 0.05 -1.33 -1.09 -1.26 -5.02 121.20 112.98 2kym s ILE 104 Ca 0.09 0.53 -0.23 0.00 -2.23 0.00 0.00 60.65 58.81 2kym s ILE 104 Cb -0.02 -3.20 0.08 0.00 -1.58 0.00 0.00 42.46 37.74 2kym s ILE 104 CO 0.04 -0.12 1.06 0.00 -1.23 0.00 0.00 174.94 174.69 2kym n GLN 105 N -1.52 0.31 -4.50 2.79 10.64 -1.26 -5.16 117.38 118.68 2kym n GLN 105 Ca 0.13 -0.91 -0.27 0.00 -1.83 0.00 0.00 57.00 54.12 2kym n GLN 105 Cb 0.50 1.37 -0.17 0.00 -0.86 0.00 0.00 30.24 31.08 2kym n GLN 105 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2kym s ILE 106 N -2.06 1.30 0.21 -0.39 -1.09 -1.26 -5.02 121.20 112.90 2kym s ILE 106 Ca 0.25 -0.55 0.01 0.00 -2.23 0.00 0.00 60.65 58.13 2kym s ILE 106 Cb -0.01 -1.20 -0.06 0.00 -1.58 0.00 0.00 42.46 39.61 2kym s ILE 106 CO 0.01 0.40 1.52 1.23 -1.23 0.00 0.00 174.94 176.88 2kym h GLY 107 N 7.25 0.39 -3.99 6.18 0.00 -2.04 -3.44 103.07 107.42 2kym h GLY 107 Ca -0.30 -0.48 -0.54 0.00 0.00 0.00 0.00 47.33 46.00 2kym h GLY 107 CO 0.47 0.43 0.78 0.70 0.00 0.00 0.00 176.54 178.92 2kym n ASN 108 N -3.89 3.79 0.00 0.19 4.13 -1.26 -4.89 115.26 113.33 2kym n ASN 108 Ca -0.03 1.22 0.00 0.00 1.68 0.00 0.00 54.58 57.45 2kym n ASN 108 Cb 0.63 -1.62 0.00 0.00 -1.54 0.00 0.00 39.78 37.25 2kym n ASN 108 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kym n GLY 109 N 0.56 3.75 2.80 7.41 0.00 -1.26 -5.16 105.19 113.30 2kym n GLY 109 Ca 0.02 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 2kym n GLY 109 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kym s HIS 110 N 0.00 0.02 0.10 1.61 2.46 -1.26 -5.16 115.29 113.07 2kym s HIS 110 Ca 0.00 0.09 0.05 0.00 0.47 0.00 0.00 55.06 55.66 2kym s HIS 110 Cb 0.00 -0.16 -0.04 0.00 -0.13 0.00 0.00 32.58 32.26 2kym s HIS 110 CO 0.00 -0.06 -0.12 0.20 -2.47 0.00 0.00 174.74 172.29 2kym s GLY 111 N 0.71 0.93 0.26 1.59 0.00 -1.26 -5.16 107.32 104.39 2kym s GLY 111 Ca -0.06 -1.21 -0.08 0.00 0.00 0.00 0.00 44.72 43.37 2kym s GLY 111 CO -0.02 -1.27 0.41 1.20 0.00 0.00 0.00 173.10 173.42 2kym s GLN 112 N -2.64 1.55 -0.02 2.90 -0.21 -1.26 -5.17 119.66 114.81 2kym s GLN 112 Ca 0.06 -1.43 0.00 0.00 0.02 0.00 0.00 55.36 54.01 2kym s GLN 112 Cb -0.04 0.42 -0.04 0.00 1.00 0.00 0.00 33.01 34.36 2kym s GLN 112 CO 0.01 -0.62 0.03 -1.12 -2.12 0.00 0.00 175.29 171.47 2kym s SER 113 N -3.09 5.35 1.30 5.90 0.01 -1.26 -5.11 113.70 116.80 2kym s SER 113 Ca 0.27 0.08 -0.20 0.00 1.31 0.00 0.00 55.95 57.41 2kym s SER 113 Cb 0.01 -1.47 0.32 0.00 0.21 0.00 0.00 66.02 65.09 2kym s SER 113 CO 0.12 0.30 1.02 -1.10 0.41 0.00 0.00 173.24 173.98 2kym s GLN 114 N -1.50 -2.00 -0.30 12.44 -1.52 -1.26 -5.07 119.66 120.45 2kym s GLN 114 Ca 0.20 0.12 -0.16 0.00 -1.95 0.00 0.00 55.36 53.57 2kym s GLN 114 Cb -0.12 -1.49 0.17 0.00 -0.22 0.00 0.00 33.01 31.36 2kym s GLN 114 CO 0.10 -4.26 1.15 0.20 -0.25 0.00 0.00 175.29 172.23 2kym s GLY 115 N -3.40 -0.23 0.20 3.09 0.00 -1.26 -5.18 107.32 100.54 2kym s GLY 115 Ca 0.69 2.94 0.05 0.00 0.00 0.00 0.00 44.72 48.40 2kym s GLY 115 CO 0.58 3.92 -0.06 1.08 0.00 0.00 0.00 173.10 178.62 2kym s LEU 116 N 2.98 2.38 0.00 0.66 1.43 -1.26 -5.36 118.68 119.51 2kym s LEU 116 Ca -0.04 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 2kym s LEU 116 Cb -0.09 -0.37 0.00 0.00 0.03 0.00 0.00 46.19 45.76 2kym s LEU 116 CO -0.09 -0.39 0.00 1.21 0.23 0.00 0.00 176.35 177.30