#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 0.88 0.04 -5.12 0.00 -1.26 -5.13 121.76 111.17 2kym s ALA -1 Ca 0.00 -1.33 -0.31 0.00 0.00 0.00 0.00 51.96 50.32 2kym s ALA -1 Cb 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 23.12 23.29 2kym s ALA -1 CO 0.00 -0.28 1.41 -1.25 0.00 0.00 0.00 175.76 175.64 2kym s PRO 1 N -3.87 4.29 0.22 0.00 0.04 -1.26 -5.02 135.00 129.40 2kym s PRO 1 Ca 0.12 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.29 2kym s PRO 1 Cb 0.06 -3.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 2kym s PRO 1 CO -0.05 -0.54 -0.18 -0.48 0.04 0.00 0.00 177.00 175.78 2kym s LEU 2 N 2.03 2.64 0.08 -3.56 0.05 -1.26 -4.88 118.68 113.78 2kym s LEU 2 Ca 0.65 -0.84 0.05 0.00 0.05 0.00 0.00 54.13 54.04 2kym s LEU 2 Cb -0.34 -1.29 -0.03 0.00 -2.05 0.00 0.00 46.19 42.49 2kym s LEU 2 CO 0.28 0.09 -0.15 -0.36 -0.55 0.00 0.00 176.35 175.66 2kym s PHE 3 N -1.96 1.28 0.02 3.48 0.40 -1.23 -2.51 117.98 117.46 2kym s PHE 3 Ca 0.25 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 2kym s PHE 3 Cb -0.07 -0.71 -0.01 0.00 0.51 0.00 0.00 43.02 42.73 2kym s PHE 3 CO 0.13 0.08 -0.08 0.00 0.70 0.00 0.00 175.22 176.05 2kym s ALA 4 N -1.39 0.61 -0.13 5.36 0.00 0.58 -0.10 121.76 126.68 2kym s ALA 4 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2kym s ALA 4 Cb -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2kym s ALA 4 CO 0.02 0.07 -0.14 0.54 0.00 0.00 0.00 175.76 176.26 2kym s VAL 5 N -0.74 2.97 0.16 0.00 0.11 0.48 -0.91 120.40 122.47 2kym s VAL 5 Ca -0.03 -0.69 -0.31 0.00 -2.93 0.00 0.00 61.98 58.03 2kym s VAL 5 Cb -0.06 -2.24 -0.08 0.00 -1.53 0.00 0.00 36.38 32.46 2kym s VAL 5 CO 0.00 0.52 1.35 0.42 -3.33 0.00 0.00 175.10 174.07 2kym s THR 6 N 0.41 3.23 -0.04 5.04 -4.23 -1.13 -0.44 115.64 118.48 2kym s THR 6 Ca -0.11 0.95 0.21 0.00 -1.18 0.00 0.00 61.69 61.56 2kym s THR 6 Cb -0.16 -3.61 -0.32 0.00 1.34 0.00 0.00 72.50 69.75 2kym s THR 6 CO 0.05 0.11 0.43 0.18 -0.54 0.00 0.00 174.62 174.85 2kym n LEU 7 N 3.25 0.00 -4.41 4.79 4.77 -0.77 -0.03 117.00 124.61 2kym n LEU 7 Ca 0.09 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.87 2kym n LEU 7 Cb 0.42 0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 2kym n LEU 7 CO 0.58 0.05 -0.29 -0.31 -1.33 0.00 0.00 177.39 176.09 2kym s TYR 8 N -3.37 1.83 -0.55 -1.77 1.51 -1.25 -4.66 117.35 109.09 2kym s TYR 8 Ca -0.08 -0.95 -0.22 0.00 -1.01 0.00 0.00 57.07 54.80 2kym s TYR 8 Cb 0.13 -1.15 0.05 0.00 -0.11 0.00 0.00 41.96 40.88 2kym s TYR 8 CO 0.87 -0.02 0.85 -2.00 -1.11 0.00 0.00 175.55 174.14 2kym s GLU 9 N -3.89 3.24 -0.54 -0.62 2.12 -1.26 -3.33 118.70 114.41 2kym s GLU 9 Ca 0.34 -0.53 -0.21 0.00 0.36 0.00 0.00 54.97 54.94 2kym s GLU 9 Cb 0.08 -4.09 0.06 0.00 0.26 0.00 0.00 34.13 30.43 2kym s GLU 9 CO 0.14 -1.45 0.76 0.12 -0.54 0.00 0.00 175.26 174.28 2kym s PHE 10 N 3.57 2.93 -0.54 5.30 5.36 0.41 -4.98 117.98 130.03 2kym s PHE 10 Ca 0.25 -0.44 -0.25 0.00 -0.96 0.00 0.00 56.93 55.53 2kym s PHE 10 Cb -0.15 -3.81 0.04 0.00 -0.34 0.00 0.00 43.02 38.75 2kym s PHE 10 CO 0.16 -1.21 0.99 0.15 -1.46 0.00 0.00 175.22 173.84 2kym s LYS 11 N 3.15 3.39 0.90 10.12 -0.14 -1.26 -1.83 119.74 134.07 2kym s LYS 11 Ca 0.20 -0.11 -0.12 0.00 -1.36 0.00 0.00 55.97 54.58 2kym s LYS 11 Cb -0.18 -4.03 0.08 0.00 -1.68 0.00 0.00 37.83 32.02 2kym s LYS 11 CO 0.13 -1.49 0.81 0.00 -0.76 0.00 0.00 175.35 174.05 2kym n ALA 12 N 7.60 -1.44 0.00 5.17 0.00 -1.26 -4.97 120.51 125.61 2kym n ALA 12 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2kym n ALA 12 Cb 0.48 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.91 2kym n ALA 12 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kym n GLU 13 N -2.78 0.18 -3.75 0.00 0.28 -1.26 -4.97 120.64 108.34 2kym n GLU 13 Ca 0.10 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.85 2kym n GLU 13 Cb 0.52 -0.79 0.01 0.00 1.43 0.00 0.00 31.44 32.61 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 -1.58 2.26 0.24 3.44 1.81 -1.26 -5.03 118.95 118.84 2kym s ARG 14 Ca 0.00 -1.97 -0.02 0.00 -1.72 0.00 0.00 55.73 52.02 2kym s ARG 14 Cb 0.00 -2.18 0.29 0.00 -0.45 0.00 0.00 34.95 32.61 2kym s ARG 14 CO 0.00 -0.67 1.68 0.22 -0.68 0.00 0.00 175.30 175.85 2kym h ASP 15 N 0.64 0.67 -0.04 0.23 1.82 -2.05 -3.16 116.42 114.53 2kym h ASP 15 Ca -0.35 -0.23 -0.01 0.00 -0.39 0.00 0.00 57.03 56.05 2kym h ASP 15 Cb 1.30 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 41.13 2kym h ASP 15 CO 0.54 0.87 -0.02 0.44 -1.61 0.00 0.00 179.24 179.46 2kym h ASP 16 N 0.59 0.09 -3.01 2.28 3.32 -1.99 -3.44 116.42 114.25 2kym h ASP 16 Ca 0.09 -0.44 -0.56 0.00 0.02 0.00 0.00 57.03 56.14 2kym h ASP 16 Cb 0.67 -0.02 0.09 0.00 0.22 0.00 0.00 39.33 40.29 2kym h ASP 16 CO 0.05 0.51 0.72 1.21 -1.72 0.00 0.00 179.24 180.01 2kym n GLU 17 N -4.81 2.34 -4.62 3.56 4.07 -1.20 -3.54 120.64 116.44 2kym n GLU 17 Ca -0.08 0.83 -0.33 0.00 -0.06 0.00 0.00 57.16 57.52 2kym n GLU 17 Cb 0.25 -2.54 -0.13 0.00 -0.06 0.00 0.00 31.44 28.96 2kym n GLU 17 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2kym s LEU 18 N -0.29 2.92 0.33 4.31 2.96 -1.23 -4.66 118.68 123.03 2kym s LEU 18 Ca 0.65 -0.25 -0.27 0.00 -0.22 0.00 0.00 54.13 54.03 2kym s LEU 18 Cb -0.57 -1.68 -0.09 0.00 0.50 0.00 0.00 46.19 44.35 2kym s LEU 18 CO 0.50 0.16 1.10 -1.81 -1.32 0.00 0.00 176.35 174.99 2kym s ASP 19 N 0.37 7.03 -0.10 3.68 1.11 -1.26 -4.55 116.67 122.96 2kym s ASP 19 Ca -0.08 2.22 -0.18 0.00 0.18 0.00 0.00 52.55 54.69 2kym s ASP 19 Cb -0.15 -2.61 0.04 0.00 1.07 0.00 0.00 42.92 41.26 2kym s ASP 19 CO 0.04 -0.30 0.44 0.54 1.18 0.00 0.00 175.17 177.07 2kym s VAL 20 N -1.33 0.02 0.26 -1.27 0.11 -0.76 -4.96 120.40 112.47 2kym s VAL 20 Ca 0.50 -0.15 0.07 0.00 -2.93 0.00 0.00 61.98 59.46 2kym s VAL 20 Cb -0.29 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2kym s VAL 20 CO 0.37 -0.08 0.22 -0.44 -3.33 0.00 0.00 175.10 171.84 2kym s SER 21 N -0.46 5.55 -0.05 3.54 0.01 -1.26 -0.45 113.70 120.59 2kym s SER 21 Ca -0.06 -0.25 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 2kym s SER 21 Cb -0.03 -1.39 -0.05 0.00 0.21 0.00 0.00 66.02 64.76 2kym s SER 21 CO 0.03 -0.07 1.49 -2.16 0.41 0.00 0.00 173.24 172.94 2kym s PRO 22 N -3.87 4.23 0.00 12.44 0.04 -1.21 -2.96 135.00 143.67 2kym s PRO 22 Ca 0.34 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2kym s PRO 22 Cb -0.08 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2kym s PRO 22 CO 0.25 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.99 2kym n GLY 23 N 3.85 1.00 3.94 0.56 0.00 0.96 -4.96 105.19 110.53 2kym n GLY 23 Ca 0.15 0.00 -0.25 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 3.39 -0.18 1.61 2.02 -1.15 -4.93 118.70 118.90 2kym s GLU 24 Ca 0.00 -0.24 -0.05 0.00 0.02 0.00 0.00 54.97 54.70 2kym s GLU 24 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 2kym s GLU 24 CO 0.00 -0.04 0.00 -0.80 0.02 0.00 0.00 175.26 174.44 2kym s ASN 25 N -4.10 4.96 0.05 -0.19 -0.87 -1.26 -2.84 114.94 110.68 2kym s ASN 25 Ca 0.44 -0.13 0.05 0.00 -1.57 0.00 0.00 52.86 51.65 2kym s ASN 25 Cb -0.10 -1.84 -0.02 0.00 -0.02 0.00 0.00 41.25 39.27 2kym s ASN 25 CO 0.39 0.11 -0.15 -0.76 -2.57 0.00 0.00 177.10 174.12 2kym s LEU 26 N 0.72 2.19 -0.34 0.60 1.43 -0.08 -2.87 118.68 120.32 2kym s LEU 26 Ca 0.00 -0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 52.51 2kym s LEU 26 Cb -0.14 -0.62 0.01 0.00 0.03 0.00 0.00 46.19 45.47 2kym s LEU 26 CO 0.02 0.02 0.17 -0.55 0.23 0.00 0.00 176.35 176.25 2kym s SER 27 N -1.26 5.61 0.31 2.29 0.15 -0.45 -0.31 113.70 120.04 2kym s SER 27 Ca 0.01 -0.80 -0.23 0.00 0.70 0.00 0.00 55.95 55.63 2kym s SER 27 Cb -0.08 -2.00 -0.09 0.00 -1.71 0.00 0.00 66.02 62.13 2kym s SER 27 CO 0.02 -0.30 0.87 -0.63 1.20 0.00 0.00 173.24 174.40 2kym s ILE 28 N 1.57 4.36 -0.03 6.45 1.01 -1.04 -1.13 121.20 132.38 2kym s ILE 28 Ca 0.03 1.58 0.02 0.00 0.00 0.00 0.00 60.65 62.28 2kym s ILE 28 Cb -0.18 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 2kym s ILE 28 CO 0.06 0.09 -0.00 0.00 0.00 0.00 0.00 174.94 175.08 2kym s ALA 30 N -2.07 -1.11 0.48 0.00 0.00 -1.21 -4.49 121.76 113.36 2kym s ALA 30 Ca -0.03 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.53 2kym s ALA 30 Cb 0.01 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 2kym s ALA 30 CO 0.10 -1.02 0.04 -3.38 0.00 0.00 0.00 175.76 171.50 2kym s HIS 31 N -3.20 1.87 -0.29 0.00 -0.00 -0.83 -0.47 115.29 112.37 2kym s HIS 31 Ca 0.13 -1.04 -0.03 0.00 -0.00 0.00 0.00 55.06 54.12 2kym s HIS 31 Cb -0.05 -1.49 0.11 0.00 -0.00 0.00 0.00 32.58 31.15 2kym s HIS 31 CO 0.08 0.09 0.17 -0.47 -0.00 0.00 0.00 174.74 174.62 2kym s TYR 32 N -2.97 0.11 -1.54 0.38 6.14 -0.27 -1.74 117.35 117.46 2kym s TYR 32 Ca 0.12 -0.69 0.00 0.00 0.64 0.00 0.00 57.07 57.14 2kym s TYR 32 Cb 0.02 -0.78 0.00 0.00 0.42 0.00 0.00 41.96 41.62 2kym s TYR 32 CO 0.07 -0.86 0.00 -3.47 0.64 0.00 0.00 175.55 171.93 2kym n ASP 33 N 5.26 -4.20 -0.71 4.32 2.03 -1.26 -0.08 116.55 121.91 2kym n ASP 33 Ca -0.05 0.31 -0.09 0.00 0.52 0.00 0.00 54.79 55.48 2kym n ASP 33 Cb 0.43 -3.75 -0.04 0.00 -0.72 0.00 0.00 41.12 37.04 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 -2.46 0.00 -0.11 -0.67 4.02 -1.26 -4.80 117.16 111.87 2kym n TYR 34 Ca -0.16 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.57 2kym n TYR 34 Cb 0.54 -2.34 -0.10 0.00 -0.02 0.00 0.00 39.34 37.43 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 -1.24 0.53 -4.49 -0.72 -0.58 0.89 -4.91 120.64 110.12 2kym n GLU 35 Ca -0.09 0.13 -0.24 0.00 -0.42 0.00 0.00 57.16 56.54 2kym n GLU 35 Cb 0.49 -1.42 -0.10 0.00 -0.57 0.00 0.00 31.44 29.84 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 -2.43 2.21 -0.04 -0.32 0.52 -0.97 -3.25 118.94 114.66 2kym s TRP 36 Ca -0.29 -0.56 0.01 0.00 0.02 0.00 0.00 56.10 55.28 2kym s TRP 36 Cb 0.08 -1.23 0.02 0.00 -1.15 0.00 0.00 33.47 31.19 2kym s TRP 36 CO 0.49 0.48 -0.04 -0.06 0.02 0.00 0.00 176.95 177.84 2kym s PHE 37 N -2.75 0.70 -0.78 -1.98 0.08 0.11 -1.11 117.98 112.25 2kym s PHE 37 Ca 0.31 -0.18 -0.19 0.00 0.12 0.00 0.00 56.93 56.99 2kym s PHE 37 Cb 0.02 -0.62 0.13 0.00 -0.57 0.00 0.00 43.02 41.98 2kym s PHE 37 CO 0.14 -0.17 0.93 0.42 -0.10 0.00 0.00 175.22 176.44 2kym s ILE 38 N 0.83 4.83 0.29 0.64 -1.09 0.38 -1.37 121.20 125.71 2kym s ILE 38 Ca -0.11 -1.37 0.07 0.00 -2.23 0.00 0.00 60.65 57.01 2kym s ILE 38 Cb -0.14 -4.64 -0.06 0.00 -1.58 0.00 0.00 42.46 36.05 2kym s ILE 38 CO 0.00 -1.32 -0.07 0.00 -1.23 0.00 0.00 174.94 172.32 2kym s ALA 39 N 2.50 2.45 0.17 9.38 0.00 -1.26 0.02 121.76 135.01 2kym s ALA 39 Ca 0.23 -1.93 0.07 0.00 0.00 0.00 0.00 51.96 50.33 2kym s ALA 39 Cb -0.13 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2kym s ALA 39 CO -0.02 -0.03 -0.15 -1.59 0.00 0.00 0.00 175.76 173.97 2kym s LYS 40 N -3.70 1.20 0.27 0.00 -2.85 -0.28 -3.10 119.74 111.28 2kym s LYS 40 Ca 0.30 -1.43 -0.29 0.00 -1.00 0.00 0.00 55.97 53.54 2kym s LYS 40 Cb 0.03 -1.07 -0.10 0.00 -2.06 0.00 0.00 37.83 34.64 2kym s LYS 40 CO 0.13 0.19 1.25 -1.25 0.10 0.00 0.00 175.35 175.77 2kym s PRO 41 N -3.16 4.44 -0.18 1.78 0.04 -1.26 -1.34 135.00 135.32 2kym s PRO 41 Ca 0.16 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.24 2kym s PRO 41 Cb -0.03 -3.14 -0.11 0.00 0.04 0.00 0.00 34.50 31.26 2kym s PRO 41 CO 0.05 -0.11 -0.19 -0.89 0.04 0.00 0.00 177.00 175.91 2kym n ILE 42 N 1.51 1.04 0.05 0.56 5.41 -1.14 -4.66 119.36 122.13 2kym n ILE 42 Ca 0.02 -0.35 -0.13 0.00 1.00 0.00 0.00 62.75 63.29 2kym n ILE 42 Cb 0.43 -1.34 -0.08 0.00 -0.71 0.00 0.00 39.64 37.94 2kym n ILE 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 2kym h ASN 43 N -0.22 -0.07 -5.63 4.38 -0.73 -1.93 -3.45 115.58 107.92 2kym h ASN 43 Ca -0.43 -0.15 -0.41 0.00 1.87 0.00 0.00 56.30 57.18 2kym h ASN 43 Cb 1.56 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 40.16 2kym h ASN 43 CO -0.14 0.11 -0.14 -2.11 -0.37 0.00 0.00 177.43 174.78 2kym n ARG 43 N -5.05 0.78 -4.10 6.67 0.00 -1.26 -5.12 116.66 108.58 2kym n ARG 43 Ca -0.08 -2.54 -0.32 0.00 -0.00 0.00 0.00 57.85 54.90 2kym n ARG 43 Cb 0.13 0.06 -0.16 0.00 -0.00 0.00 0.00 32.46 32.49 2kym n ARG 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kym s LEU 44 N 0.00 2.12 0.09 2.89 1.43 -1.26 -4.77 118.68 119.17 2kym s LEU 44 Ca 0.35 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2kym s LEU 44 Cb -0.03 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.77 2kym s LEU 44 CO 0.22 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.39 2kym n GLY 45 N 4.64 -0.48 0.00 -3.19 0.00 -1.26 -5.13 105.19 99.77 2kym n GLY 45 Ca -0.20 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.18 3.29 3.64 -0.02 0.00 -1.26 -5.06 105.19 105.97 2kym n GLY 46 Ca 0.00 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.27 3.93 0.00 1.61 0.04 -1.26 -4.36 135.00 132.69 2kym s PRO 47 Ca 0.00 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2kym s PRO 47 Cb 0.00 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2kym s PRO 47 CO 0.00 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.32 2kym n GLY 48 N 4.42 1.93 2.93 0.56 0.00 -1.18 -5.02 105.19 108.82 2kym n GLY 48 Ca 0.18 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 0.42 -0.04 0.99 1.98 -1.23 -4.45 118.68 116.34 2kym s LEU 49 Ca 0.00 0.36 0.01 0.00 -2.89 0.00 0.00 54.13 51.61 2kym s LEU 49 Cb 0.00 0.42 0.02 0.00 0.66 0.00 0.00 46.19 47.30 2kym s LEU 49 CO 0.00 -0.18 -0.04 0.54 -1.89 0.00 0.00 176.35 174.79 2kym s VAL 50 N 1.53 0.46 0.82 1.68 0.11 -0.47 -3.53 120.40 121.00 2kym s VAL 50 Ca -0.06 -0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 58.81 2kym s VAL 50 Cb -0.12 -0.49 0.08 0.00 -1.53 0.00 0.00 36.38 34.32 2kym s VAL 50 CO -0.06 0.21 1.09 -2.16 -3.33 0.00 0.00 175.10 170.84 2kym s PRO 51 N 0.92 1.90 0.32 1.54 0.04 -1.26 0.08 135.00 138.53 2kym s PRO 51 Ca -0.11 1.05 0.20 0.00 0.04 0.00 0.00 61.00 62.19 2kym s PRO 51 Cb -0.14 -1.86 0.16 0.00 0.04 0.00 0.00 34.50 32.69 2kym s PRO 51 CO -0.00 -1.86 1.38 0.28 0.04 0.00 0.00 177.00 176.84 2kym h VAL 52 N -1.28 0.25 0.00 -0.36 2.07 -1.85 -2.96 116.25 112.12 2kym h VAL 52 Ca -0.46 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 65.68 2kym h VAL 52 Cb 1.25 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 2kym h VAL 52 CO 0.52 0.14 0.00 -1.20 0.02 0.00 0.00 177.57 177.06 2kym n SER 53 N -3.02 0.00 0.00 0.57 7.64 -1.26 -2.81 113.62 114.74 2kym n SER 53 Ca 0.01 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2kym n SER 53 Cb 0.61 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 -1.24 0.00 -4.42 1.43 4.02 -1.21 -4.89 117.16 110.86 2kym n TYR 54 Ca 0.13 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.78 2kym n TYR 54 Cb 0.17 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.36 2kym n TYR 54 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2kym s VAL 55 N -0.06 1.64 -0.24 -0.72 0.11 -1.12 -1.84 120.40 118.18 2kym s VAL 55 Ca 0.00 -1.38 0.01 0.00 -2.93 0.00 0.00 61.98 57.69 2kym s VAL 55 Cb 0.00 -1.47 0.06 0.00 -1.53 0.00 0.00 36.38 33.44 2kym s VAL 55 CO 0.00 0.04 -0.08 -0.60 -3.33 0.00 0.00 175.10 171.13 2kym s ARG 56 N -1.59 1.88 -0.26 1.54 3.52 0.42 -4.75 118.95 119.71 2kym s ARG 56 Ca 0.06 -1.09 -0.28 0.00 -0.13 0.00 0.00 55.73 54.29 2kym s ARG 56 Cb -0.09 -2.67 -0.03 0.00 -1.56 0.00 0.00 34.95 30.60 2kym s ARG 56 CO 0.03 -0.57 1.89 0.42 -0.81 0.00 0.00 175.30 176.26 2kym s ILE 57 N 1.30 3.37 0.00 4.11 1.09 -1.26 -0.39 121.20 129.42 2kym s ILE 57 Ca -0.06 0.38 0.05 0.00 -1.10 0.00 0.00 60.65 59.92 2kym s ILE 57 Cb -0.19 -3.45 -0.02 0.00 -1.06 0.00 0.00 42.46 37.74 2kym s ILE 57 CO -0.06 -0.26 -0.16 0.27 -0.10 0.00 0.00 174.94 174.63 2kym s ILE 58 N 6.81 1.30 -0.02 2.92 -4.36 0.86 -4.65 121.20 124.04 2kym s ILE 58 Ca 0.84 -0.81 -0.30 0.00 -0.26 0.00 0.00 60.65 60.12 2kym s ILE 58 Cb -0.27 -1.10 -0.05 0.00 1.25 0.00 0.00 42.46 42.29 2kym s ILE 58 CO 0.34 0.28 1.43 -0.62 0.24 0.00 0.00 174.94 176.60 2kym s ASP 59 N -0.62 6.83 0.60 4.36 2.15 -1.24 -3.52 116.67 125.23 2kym s ASP 59 Ca 0.06 2.10 0.30 0.00 0.43 0.00 0.00 52.55 55.43 2kym s ASP 59 Cb -0.07 -2.55 1.68 0.00 -0.30 0.00 0.00 42.92 41.68 2kym s ASP 59 CO 0.00 -0.76 2.09 0.25 -0.17 0.00 0.00 175.17 176.58 2kym h LEU 60 N 8.79 0.00 0.00 -1.34 5.85 -1.90 0.88 115.31 127.59 2kym h LEU 60 Ca -0.37 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.06 2kym h LEU 60 Cb 1.17 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 2kym h LEU 60 CO 0.92 0.00 -1.80 0.23 -0.34 0.00 0.00 178.44 177.45 2kym n MET 61 N -3.69 0.64 -3.27 1.25 2.81 -1.26 -4.68 117.12 108.92 2kym n MET 61 Ca 0.02 0.23 -0.23 0.00 -1.81 0.00 0.00 57.70 55.90 2kym n MET 61 Cb 0.34 -1.75 -0.08 0.00 -0.71 0.00 0.00 33.22 31.03 2kym n MET 61 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2kym n ASP 62 N -2.97 -0.86 0.00 7.83 8.00 -0.06 -4.96 116.55 123.54 2kym n ASP 62 Ca -0.19 -2.50 0.07 0.00 0.71 0.00 0.00 54.79 52.88 2kym n ASP 62 Cb 1.04 -0.20 0.35 0.00 -0.02 0.00 0.00 41.12 42.28 2kym n ASP 62 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2kym n PRO 63 N 2.64 0.13 0.00 -0.24 -0.04 0.10 -1.91 135.00 135.68 2kym n PRO 63 Ca 0.27 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 2kym n PRO 63 Cb 0.50 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.37 3.77 -0.08 0.55 0.00 -1.26 -3.43 120.51 118.70 2kym n ALA 64 Ca 0.06 -0.50 -0.14 0.00 0.00 0.00 0.00 53.44 52.86 2kym n ALA 64 Cb 0.14 -0.95 -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 0.87 0.00 0.00 0.00 177.50 178.37 2kym h LYS 65 N 0.86 0.00 -0.78 0.00 1.57 -1.76 -3.36 116.57 113.11 2kym h LYS 65 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 2kym h LYS 65 Cb 0.56 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.77 2kym h LYS 65 CO 0.00 0.78 0.22 0.66 -0.57 0.00 0.00 179.45 180.54 2kym n TYR 66 N -4.57 2.17 0.23 -1.35 4.02 -1.25 -4.20 117.16 112.21 2kym n TYR 66 Ca -0.16 -1.04 0.12 0.00 -0.01 0.00 0.00 57.90 56.80 2kym n TYR 66 Cb 0.47 -0.62 0.11 0.00 -0.02 0.00 0.00 39.34 39.27 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 2.75 0.73 0.00 -0.72 0.00 -1.71 -3.31 119.26 117.00 2kym h ALA 67 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2kym h ALA 67 Cb 2.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 2kym h ALA 67 CO 0.64 0.00 -1.51 -1.13 0.00 0.00 0.00 179.25 177.25 2kym n SER 68 N -2.76 0.64 -4.46 0.00 3.41 -1.26 -4.96 113.62 104.23 2kym n SER 68 Ca 0.02 0.27 -0.35 0.00 -0.26 0.00 0.00 58.87 58.55 2kym n SER 68 Cb 0.52 0.58 0.09 0.00 -0.26 0.00 0.00 64.21 65.14 2kym n SER 68 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2kym n VAL 69 N -2.74 1.34 -3.67 -3.33 3.14 -1.25 -4.95 118.33 106.87 2kym n VAL 69 Ca -0.09 -0.33 -0.38 0.00 -2.96 0.00 0.00 64.34 60.58 2kym n VAL 69 Cb 0.77 -0.74 -0.09 0.00 -1.06 0.00 0.00 33.84 32.72 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 -1.65 5.45 0.30 6.55 1.01 -1.26 -4.94 116.67 122.12 2kym s ASP 70 Ca 0.64 -2.43 -0.01 0.00 0.71 0.00 0.00 52.55 51.46 2kym s ASP 70 Cb -0.31 -1.90 0.48 0.00 1.01 0.00 0.00 42.92 42.19 2kym s ASP 70 CO 0.60 -0.50 1.93 0.71 0.21 0.00 0.00 175.17 178.12 2kym h THR 71 N 5.71 1.13 -0.68 -1.27 1.35 -1.85 -2.20 112.91 115.09 2kym h THR 71 Ca -0.08 -0.37 0.08 0.00 -0.55 0.00 0.00 66.41 65.49 2kym h THR 71 Cb 1.01 -0.06 -0.07 0.00 -1.73 0.00 0.00 68.15 67.30 2kym h THR 71 CO 0.74 0.20 0.34 0.22 -0.25 0.00 0.00 175.52 176.77 2kym h TYR 72 N 1.09 0.61 -2.31 4.73 3.20 -1.88 -3.40 116.97 119.02 2kym h TYR 72 Ca 0.36 0.03 -0.58 0.00 3.14 0.00 0.00 58.73 61.68 2kym h TYR 72 Cb 0.07 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2kym h TYR 72 CO -0.00 0.23 1.39 0.34 -1.64 0.00 0.00 178.16 178.49 2kym s ASP 73 N -5.51 5.66 0.55 -2.11 2.15 -0.83 -4.83 116.67 111.76 2kym s ASP 73 Ca -0.13 1.63 0.29 0.00 0.43 0.00 0.00 52.55 54.77 2kym s ASP 73 Cb 0.17 -2.52 1.46 0.00 -0.30 0.00 0.00 42.92 41.74 2kym s ASP 73 CO 0.76 -1.84 1.93 0.08 -0.17 0.00 0.00 175.17 175.92 2kym h ARG 74 N 14.04 0.00 0.45 4.34 -0.00 -1.85 -1.27 114.38 130.10 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 1.21 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 -0.22 0.93 -0.00 0.00 0.00 179.97 181.68 2kym h GLU 75 N 0.00 -0.58 0.42 0.08 5.08 -1.91 -1.39 114.58 116.28 2kym h GLU 75 Ca 0.31 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 2kym h GLU 75 Cb 1.33 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 2kym h GLU 75 CO -0.00 -0.27 -0.26 1.96 -1.00 0.00 0.00 179.01 179.43 2kym h GLN 76 N -0.95 -0.63 -0.74 2.33 4.20 -1.56 -1.57 115.11 116.20 2kym h GLN 76 Ca -0.06 0.04 0.16 0.00 0.06 0.00 0.00 58.65 58.85 2kym h GLN 76 Cb 0.57 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.45 2kym h GLN 76 CO 0.10 -0.42 0.50 -0.24 -0.67 0.00 0.00 178.83 178.10 2kym h VAL 77 N -0.66 0.75 0.23 -0.54 3.04 -1.37 -1.38 116.25 116.33 2kym h VAL 77 Ca -0.05 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.53 2kym h VAL 77 Cb 0.54 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 2kym h VAL 77 CO 0.04 0.06 -0.11 0.24 -1.01 0.00 0.00 177.57 176.79 2kym h MET 78 N 0.31 -0.30 -0.85 4.17 2.86 -0.64 -1.48 114.93 119.01 2kym h MET 78 Ca 0.36 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 58.12 2kym h MET 78 Cb 0.97 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.64 2kym h MET 78 CO -0.10 0.03 0.55 0.87 1.06 0.00 0.00 176.91 179.33 2kym h LYS 79 N -0.67 0.80 0.18 1.72 1.57 -0.53 0.25 116.57 119.89 2kym h LYS 79 Ca -0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2kym h LYS 79 Cb 0.47 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2kym h LYS 79 CO 0.05 0.53 -0.09 0.82 -0.57 0.00 0.00 179.45 180.19 2kym h ILE 80 N 0.82 0.94 -0.31 1.86 2.04 -1.22 0.44 117.51 122.08 2kym h ILE 80 Ca 0.39 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 2kym h ILE 80 Cb 0.41 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2kym h ILE 80 CO -0.16 0.15 0.02 0.40 0.00 0.00 0.00 178.15 178.57 2kym h ILE 81 N -0.58 1.17 -0.12 -0.67 2.04 -0.82 0.20 117.51 118.74 2kym h ILE 81 Ca -0.02 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 2kym h ILE 81 Cb 0.43 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2kym h ILE 81 CO 0.04 0.23 -0.20 -0.78 0.00 0.00 0.00 178.15 177.44 2kym h ASP 82 N 0.45 0.38 -0.07 1.72 3.58 -0.45 -0.56 116.42 121.46 2kym h ASP 82 Ca 0.10 -0.54 -0.02 0.00 0.42 0.00 0.00 57.03 56.99 2kym h ASP 82 Cb 0.26 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 2kym h ASP 82 CO 0.00 0.85 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.84 2kym h GLU 83 N -0.08 0.16 0.00 0.28 4.39 -0.68 -2.87 114.58 115.77 2kym h GLU 83 Ca 0.01 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2kym h GLU 83 Cb 0.78 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2kym h GLU 83 CO 0.05 0.54 0.00 0.74 -1.16 0.00 0.00 179.01 179.17 2kym h PHE 84 N -0.23 0.00 -5.66 4.33 -1.00 -0.69 -3.47 116.94 110.23 2kym h PHE 84 Ca 0.02 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.46 2kym h PHE 84 Cb 0.49 0.00 0.17 0.00 3.61 0.00 0.00 35.95 40.22 2kym h PHE 84 CO 0.07 0.00 -0.77 1.63 -1.61 0.00 0.00 178.31 177.63 2kym n LYS 85 N -2.35 -6.68 -2.63 1.51 4.76 -0.33 -4.39 118.16 108.05 2kym n LYS 85 Ca 0.01 0.85 -0.42 0.00 -2.87 0.00 0.00 58.31 55.88 2kym n LYS 85 Cb 0.21 -5.87 -0.03 0.00 -1.84 0.00 0.00 35.03 27.51 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 -3.36 4.50 0.88 -0.18 1.01 -0.55 -4.67 121.20 118.83 2kym s ILE 86 Ca 0.03 1.88 -0.11 0.00 0.00 0.00 0.00 60.65 62.44 2kym s ILE 86 Cb -0.01 -4.20 0.12 0.00 0.01 0.00 0.00 42.46 38.37 2kym s ILE 86 CO 0.73 0.19 1.09 -2.16 0.00 0.00 0.00 174.94 174.80 2kym s PRO 87 N 0.68 1.40 0.51 2.79 0.04 -1.26 -4.80 135.00 134.36 2kym s PRO 87 Ca 0.52 0.87 0.03 0.00 0.04 0.00 0.00 61.00 62.47 2kym s PRO 87 Cb -0.24 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.50 2kym s PRO 87 CO 0.29 -2.16 0.71 0.99 0.04 0.00 0.00 177.00 176.88 2kym s THR 88 N -2.93 2.76 0.11 1.26 2.01 -1.26 -1.97 115.64 115.61 2kym s THR 88 Ca 0.63 -0.77 -0.28 0.00 0.31 0.00 0.00 61.69 61.58 2kym s THR 88 Cb -0.18 -2.98 -0.10 0.00 0.01 0.00 0.00 72.50 69.25 2kym s THR 88 CO 0.57 0.00 1.64 0.58 -0.69 0.00 0.00 174.62 176.72 2kym h VAL 89 N 0.24 0.42 -0.37 3.82 2.07 -1.67 0.08 116.25 120.84 2kym h VAL 89 Ca -0.41 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.18 2kym h VAL 89 Cb 1.29 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 2kym h VAL 89 CO 0.50 0.00 -0.13 -0.33 0.02 0.00 0.00 177.57 177.63 2kym h GLU 90 N -0.50 -0.05 -0.62 1.57 5.08 -1.96 0.86 114.58 118.97 2kym h GLU 90 Ca 0.02 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2kym h GLU 90 Cb 0.51 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 2kym h GLU 90 CO -0.12 -0.03 0.35 1.96 -1.00 0.00 0.00 179.01 180.17 2kym h GLN 91 N -0.05 0.66 -0.63 2.33 1.08 -1.88 -1.20 115.11 115.42 2kym h GLN 91 Ca 0.18 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2kym h GLN 91 Cb 0.32 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 2kym h GLN 91 CO -0.40 0.44 0.34 2.35 -0.95 0.00 0.00 178.83 180.60 2kym h TRP 92 N 0.68 0.87 0.32 2.96 7.01 0.08 -0.08 115.95 127.80 2kym h TRP 92 Ca 0.26 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.22 2kym h TRP 92 Cb 0.10 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.88 2kym h TRP 92 CO -0.07 0.63 -0.15 0.87 -2.79 0.00 0.00 178.44 176.93 2kym h LYS 93 N 0.86 -0.41 -0.79 2.65 1.79 -0.30 -1.24 116.57 119.12 2kym h LYS 93 Ca 0.22 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.73 2kym h LYS 93 Cb 0.05 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 2kym h LYS 93 CO -0.03 -0.25 0.52 0.22 -1.08 0.00 0.00 179.45 178.82 2kym h ASP 94 N -0.46 0.91 0.29 0.86 3.58 -1.13 -0.67 116.42 119.80 2kym h ASP 94 Ca -0.04 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2kym h ASP 94 Cb 0.35 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2kym h ASP 94 CO 0.07 0.66 -0.14 1.56 -2.88 0.00 0.00 179.24 178.51 2kym h GLN 95 N 1.07 -0.38 -0.60 0.28 4.20 -0.72 0.05 115.11 119.01 2kym h GLN 95 Ca 0.29 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 2kym h GLN 95 Cb -0.12 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 2kym h GLN 95 CO -0.06 -0.22 0.32 1.79 -0.67 0.00 0.00 178.83 179.99 2kym h THR 96 N -0.45 1.20 0.90 -0.54 1.35 -0.98 0.07 112.91 114.46 2kym h THR 96 Ca -0.04 -0.53 -0.04 0.00 -0.55 0.00 0.00 66.41 65.25 2kym h THR 96 Cb 0.34 0.44 0.01 0.00 -1.73 0.00 0.00 68.15 67.21 2kym h THR 96 CO 0.07 0.22 -0.44 0.03 -0.25 0.00 0.00 175.52 175.14 2kym h ARG 97 N 0.82 -1.18 -0.82 4.72 3.08 -1.00 -0.86 114.38 119.14 2kym h ARG 97 Ca 0.21 0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.44 2kym h ARG 97 Cb 0.07 0.27 -0.06 0.00 0.08 0.00 0.00 29.97 30.33 2kym h ARG 97 CO -0.03 -0.78 0.54 0.00 -1.07 0.00 0.00 179.97 178.62 2kym h ARG 98 N -1.22 0.73 -0.24 0.04 3.08 -0.97 0.25 114.38 116.05 2kym h ARG 98 Ca -0.12 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 2kym h ARG 98 Cb 0.94 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 2kym h ARG 98 CO 0.19 0.48 0.13 -0.92 -1.07 0.00 0.00 179.97 178.79 2kym h TYR 99 N 0.75 0.32 0.00 3.04 3.20 -0.75 -2.58 116.97 120.96 2kym h TYR 99 Ca 0.38 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.17 2kym h TYR 99 Cb 0.47 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2kym h TYR 99 CO -0.00 0.27 -0.38 0.87 -1.64 0.00 0.00 178.16 177.28 2kym h LYS 100 N 0.28 0.00 -7.16 1.82 1.79 -0.32 -3.45 116.57 109.53 2kym h LYS 100 Ca 0.08 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.10 2kym h LYS 100 Cb 0.05 0.00 0.21 0.00 -1.58 0.00 0.00 32.23 30.91 2kym h LYS 100 CO -0.01 0.38 0.04 -2.00 -1.08 0.00 0.00 179.45 176.77 2kym s GLU 101 N -3.38 -0.69 0.56 3.15 -6.30 0.81 -5.03 118.70 107.83 2kym s GLU 101 Ca 0.02 0.96 -0.00 0.00 -2.50 0.00 0.00 54.97 53.45 2kym s GLU 101 Cb 0.09 -1.57 0.03 0.00 0.00 0.00 0.00 34.13 32.69 2kym s GLU 101 CO 0.69 -3.60 0.80 -1.54 0.02 0.00 0.00 175.26 171.63 2kym s SER 102 N -2.51 5.28 0.59 -1.70 1.04 -1.26 -4.98 113.70 110.16 2kym s SER 102 Ca 0.68 0.13 0.00 0.00 0.48 0.00 0.00 55.95 57.24 2kym s SER 102 Cb -0.25 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 64.85 2kym s SER 102 CO 0.64 -1.16 0.00 -1.20 0.98 0.00 0.00 173.24 172.50 2kym n SER 103 N -2.41 0.00 -4.89 7.02 7.64 -1.26 -5.08 113.62 114.64 2kym n SER 103 Ca 0.07 -0.79 -0.29 0.00 1.01 0.00 0.00 58.87 58.87 2kym n SER 103 Cb 0.59 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.29 4.76 1.03 0.44 1.01 -1.26 -5.04 121.20 121.86 2kym s ILE 104 Ca 0.00 0.50 -0.18 0.00 0.00 0.00 0.00 60.65 60.97 2kym s ILE 104 Cb 0.00 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.63 2kym s ILE 104 CO 0.00 -0.97 -0.16 0.00 0.00 0.00 0.00 174.94 173.82 2kym n GLN 105 N -2.50 -0.77 -0.01 2.79 0.00 -1.26 -4.96 117.38 110.67 2kym n GLN 105 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 57.00 56.83 2kym n GLN 105 Cb 0.55 -1.58 -0.04 0.00 0.00 0.00 0.00 30.24 29.17 2kym n GLN 105 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 2kym n ILE 106 N -3.80 0.15 -0.03 -0.39 2.08 -1.26 -5.05 119.36 111.06 2kym n ILE 106 Ca 0.02 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.18 2kym n ILE 106 Cb 0.60 -0.22 0.00 0.00 -0.75 0.00 0.00 39.64 39.28 2kym n ILE 106 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2kym n GLY 107 N 2.46 2.12 3.27 7.39 0.00 -1.26 -5.09 105.19 114.09 2kym n GLY 107 Ca -0.04 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.87 4.38 0.27 1.61 4.22 -1.26 -5.10 114.94 118.19 2kym s ASN 108 Ca 0.00 -0.62 -0.25 0.00 -2.14 0.00 0.00 52.86 49.86 2kym s ASN 108 Cb 0.00 -1.72 -0.09 0.00 1.28 0.00 0.00 41.25 40.72 2kym s ASN 108 CO 0.00 -0.08 0.87 -0.83 -2.04 0.00 0.00 177.10 175.01 2kym s GLY 109 N 1.42 2.79 0.99 0.45 0.00 -1.26 -5.07 107.32 106.64 2kym s GLY 109 Ca 0.03 0.42 -0.16 0.00 0.00 0.00 0.00 44.72 45.01 2kym s GLY 109 CO -0.03 0.85 1.29 0.30 0.00 0.00 0.00 173.10 175.51 2kym s HIS 110 N -1.51 1.50 0.18 1.90 3.76 -1.26 -5.02 115.29 114.84 2kym s HIS 110 Ca 0.46 0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 55.43 2kym s HIS 110 Cb -0.19 -4.03 -0.08 0.00 1.11 0.00 0.00 32.58 29.40 2kym s HIS 110 CO 0.24 -2.77 0.91 0.20 -0.85 0.00 0.00 174.74 172.47 2kym s GLY 111 N -4.76 3.04 0.41 -2.22 0.00 -1.26 -5.06 107.32 97.46 2kym s GLY 111 Ca 0.73 0.55 0.04 0.00 0.00 0.00 0.00 44.72 46.05 2kym s GLY 111 CO 0.53 1.23 0.16 -0.86 0.00 0.00 0.00 173.10 174.15 2kym s GLN 112 N -0.73 1.94 0.03 2.90 0.00 -1.26 -5.18 119.66 117.37 2kym s GLN 112 Ca 0.42 -2.19 -0.14 0.00 -0.00 0.00 0.00 55.36 53.45 2kym s GLN 112 Cb -0.24 -0.48 0.02 0.00 0.00 0.00 0.00 33.01 32.31 2kym s GLN 112 CO 0.30 -0.53 0.32 -1.54 0.00 0.00 0.00 175.29 173.84 2kym s SER 113 N -3.59 -0.16 0.32 12.60 1.04 -1.26 -5.18 113.70 117.46 2kym s SER 113 Ca 0.25 -0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.59 2kym s SER 113 Cb 0.02 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 2kym s SER 113 CO 0.16 -0.59 0.12 -1.10 0.98 0.00 0.00 173.24 172.82 2kym s GLN 114 N -2.29 1.62 -0.95 4.02 -0.21 -1.26 -5.09 119.66 115.51 2kym s GLN 114 Ca -0.07 -1.92 -0.21 0.00 0.02 0.00 0.00 55.36 53.18 2kym s GLN 114 Cb -0.02 -0.36 0.09 0.00 1.00 0.00 0.00 33.01 33.73 2kym s GLN 114 CO -0.02 -0.37 1.25 0.20 -2.12 0.00 0.00 175.29 174.23 2kym s GLY 115 N -3.42 1.61 0.00 3.09 0.00 -1.26 -4.69 107.32 102.66 2kym s GLY 115 Ca 0.34 -2.49 0.00 0.00 0.00 0.00 0.00 44.72 42.57 2kym s GLY 115 CO 0.16 2.30 0.00 1.04 0.00 0.00 0.00 173.10 176.59 2kym n LEU 116 N 7.60 0.00 0.00 0.66 4.77 -1.26 -5.40 117.00 123.37 2kym n LEU 116 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2kym n LEU 116 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2kym n LEU 116 CO 0.58 -0.30 0.10 1.21 -1.33 0.00 0.00 177.39 177.64