#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kym s ILE 2 N 0.00 2.20 -0.01 2.12 1.01 -1.26 -5.02 121.20 120.24 3kym s ILE 2 Ca 0.00 0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.92 3kym s ILE 2 Cb 0.00 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 3kym s ILE 2 CO 0.00 0.04 -0.24 -1.10 0.00 0.00 0.00 174.94 173.64 3kym s GLN 3 N -2.14 1.89 -0.11 2.79 -0.21 -1.26 -4.84 119.66 115.78 3kym s GLN 3 Ca 0.54 -0.88 0.03 0.00 0.02 0.00 0.00 55.36 55.07 3kym s GLN 3 Cb -0.44 -1.86 0.01 0.00 1.00 0.00 0.00 33.01 31.72 3kym s GLN 3 CO 0.59 0.51 -0.21 -1.64 -2.12 0.00 0.00 175.29 172.42 3kym s MET 4 N -0.65 2.81 -0.03 2.91 -1.94 -1.26 -1.69 119.30 119.46 3kym s MET 4 Ca 0.09 -0.79 0.04 0.00 -1.71 0.00 0.00 55.69 53.32 3kym s MET 4 Cb -0.09 -2.22 -0.00 0.00 2.01 0.00 0.00 34.83 34.52 3kym s MET 4 CO -0.01 0.06 -0.14 0.99 -0.01 0.00 0.00 175.02 175.91 3kym s THR 5 N 0.64 1.18 -0.27 2.05 2.01 -1.21 -4.49 115.64 115.54 3kym s THR 5 Ca -0.12 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.28 3kym s THR 5 Cb -0.16 -1.02 0.05 0.00 0.01 0.00 0.00 72.50 71.38 3kym s THR 5 CO 0.03 0.35 -0.06 -1.10 -0.69 0.00 0.00 174.62 173.15 3kym s GLN 6 N -0.03 2.44 -0.10 4.92 -0.21 -1.26 -2.90 119.66 122.51 3kym s GLN 6 Ca -0.01 -1.24 -0.04 0.00 0.02 0.00 0.00 55.36 54.10 3kym s GLN 6 Cb -0.09 -3.02 -0.04 0.00 1.00 0.00 0.00 33.01 30.86 3kym s GLN 6 CO 0.01 -0.55 0.05 -1.54 -2.12 0.00 0.00 175.29 171.13 3kym s SER 7 N 1.21 5.63 1.08 5.90 1.04 -1.18 -3.89 113.70 123.48 3kym s SER 7 Ca -0.06 0.25 -0.16 0.00 0.48 0.00 0.00 55.95 56.47 3kym s SER 7 Cb -0.19 -1.68 0.23 0.00 0.10 0.00 0.00 66.02 64.48 3kym s SER 7 CO -0.03 0.39 1.15 -2.84 0.98 0.00 0.00 173.24 172.88 3kym s PRO 8 N -0.91 -0.24 -0.01 4.02 0.02 -1.26 -2.12 135.00 134.50 3kym s PRO 8 Ca 0.14 0.03 -0.23 0.00 0.02 0.00 0.00 61.00 60.96 3kym s PRO 8 Cb -0.12 -1.70 -0.16 0.00 0.02 0.00 0.00 34.50 32.55 3kym s PRO 8 CO 0.03 -3.07 1.08 0.78 -0.33 0.00 0.00 177.00 175.48 3kym h GLY 9 N -2.13 -0.41 -5.31 0.52 0.00 -1.88 -3.44 103.07 90.41 3kym h GLY 9 Ca -0.48 0.15 -0.62 0.00 0.00 0.00 0.00 47.33 46.39 3kym h GLY 9 CO 0.44 -0.15 -0.86 -1.59 0.00 0.00 0.00 176.54 174.38 3kym s THR 10 N -4.20 1.69 -0.10 4.70 2.01 -1.26 -2.72 115.64 115.76 3kym s THR 10 Ca -0.13 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.06 3kym s THR 10 Cb 0.02 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.05 3kym s THR 10 CO 0.49 0.48 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.49 3kym s LEU 11 N 0.17 2.38 -0.18 4.42 2.96 -0.19 -4.98 118.68 123.27 3kym s LEU 11 Ca -0.10 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3kym s LEU 11 Cb -0.14 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.07 3kym s LEU 11 CO 0.05 0.20 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.64 3kym s SER 12 N 0.13 3.21 0.25 3.68 0.01 -1.26 0.11 113.70 119.83 3kym s SER 12 Ca -0.10 -0.63 -0.03 0.00 1.31 0.00 0.00 55.95 56.50 3kym s SER 12 Cb -0.16 -1.49 -0.02 0.00 0.21 0.00 0.00 66.02 64.56 3kym s SER 12 CO 0.06 0.00 0.30 -0.76 0.41 0.00 0.00 173.24 173.25 3kym s LEU 13 N 1.27 0.99 0.18 2.44 1.43 -0.74 -4.76 118.68 119.49 3kym s LEU 13 Ca 0.04 -1.33 0.03 0.00 -1.03 0.00 0.00 54.13 51.84 3kym s LEU 13 Cb -0.13 0.94 -0.03 0.00 0.03 0.00 0.00 46.19 46.99 3kym s LEU 13 CO -0.12 -1.02 0.32 -0.44 0.23 0.00 0.00 176.35 175.32 3kym s SER 14 N -3.16 6.33 0.44 2.29 0.01 -1.26 0.83 113.70 119.18 3kym s SER 14 Ca 0.34 0.14 -0.24 0.00 1.31 0.00 0.00 55.95 57.50 3kym s SER 14 Cb 0.03 -1.90 -0.08 0.00 0.21 0.00 0.00 66.02 64.29 3kym s SER 14 CO 0.15 0.00 1.18 -2.16 0.41 0.00 0.00 173.24 172.82 3kym s PRO 15 N -3.51 3.86 0.00 12.44 0.04 -1.26 -2.49 135.00 144.07 3kym s PRO 15 Ca 0.34 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3kym s PRO 15 Cb -0.10 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.91 3kym s PRO 15 CO 0.29 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.26 3kym n GLY 16 N 0.53 3.36 3.64 0.56 0.00 -0.56 -4.84 105.19 107.88 3kym n GLY 16 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3kym n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kym s GLU 17 N -0.74 -0.39 -0.16 1.61 2.12 -1.04 -4.28 118.70 115.81 3kym s GLU 17 Ca 0.00 0.20 -0.08 0.00 0.36 0.00 0.00 54.97 55.45 3kym s GLU 17 Cb 0.00 -1.67 -0.04 0.00 0.26 0.00 0.00 34.13 32.68 3kym s GLU 17 CO 0.00 -3.21 0.12 0.50 -0.54 0.00 0.00 175.26 172.13 3kym s ARG 18 N -5.20 3.84 -0.10 4.30 3.52 -1.25 -1.85 118.95 122.22 3kym s ARG 18 Ca 0.68 -0.21 -0.00 0.00 -0.13 0.00 0.00 55.73 56.07 3kym s ARG 18 Cb -0.14 -3.28 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 3kym s ARG 18 CO 0.57 0.48 -0.08 0.00 -0.81 0.00 0.00 175.30 175.46 3kym s ALA 19 N -0.18 2.89 -0.16 6.12 0.00 -0.70 -4.99 121.76 124.74 3kym s ALA 19 Ca 0.10 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 3kym s ALA 19 Cb -0.12 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.75 3kym s ALA 19 CO 0.01 0.42 -0.08 0.99 0.00 0.00 0.00 175.76 177.10 3kym s THR 20 N -0.30 1.29 -0.14 0.00 2.01 -1.26 -0.77 115.64 116.47 3kym s THR 20 Ca 0.04 -0.64 -0.00 0.00 0.31 0.00 0.00 61.69 61.39 3kym s THR 20 Cb -0.13 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 3kym s THR 20 CO 0.02 0.24 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.31 3kym s LEU 21 N 1.57 2.68 -0.04 4.42 1.02 0.10 -4.92 118.68 123.51 3kym s LEU 21 Ca 0.02 -0.36 -0.17 0.00 0.02 0.00 0.00 54.13 53.64 3kym s LEU 21 Cb -0.14 -1.61 -0.05 0.00 0.02 0.00 0.00 46.19 44.40 3kym s LEU 21 CO -0.08 0.14 0.45 -0.44 0.02 0.00 0.00 176.35 176.43 3kym s SER 22 N 0.52 6.79 -0.09 2.29 0.01 -0.90 -1.16 113.70 121.16 3kym s SER 22 Ca -0.09 0.94 -0.04 0.00 1.31 0.00 0.00 55.95 58.07 3kym s SER 22 Cb -0.16 -2.28 0.05 0.00 0.21 0.00 0.00 66.02 63.85 3kym s SER 22 CO 0.04 0.19 0.19 0.00 0.41 0.00 0.00 173.24 174.07 3kym s ARG 24 N 2.12 1.29 -0.03 0.00 0.52 -1.14 -0.84 118.95 120.86 3kym s ARG 24 Ca 0.00 -1.37 0.06 0.00 -0.52 0.00 0.00 55.73 53.91 3kym s ARG 24 Cb -0.12 -1.47 -0.02 0.00 0.52 0.00 0.00 34.95 33.86 3kym s ARG 24 CO -0.07 0.32 -0.22 0.00 0.02 0.00 0.00 175.30 175.35 3kym s ALA 25 N -1.71 2.33 0.25 2.13 0.00 0.30 -3.35 121.76 121.71 3kym s ALA 25 Ca 0.14 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 3kym s ALA 25 Cb -0.07 -0.70 0.49 0.00 0.00 0.00 0.00 23.12 22.83 3kym s ALA 25 CO 0.07 0.53 1.71 0.77 0.00 0.00 0.00 175.76 178.84 3kym h SER 26 N 5.49 0.20 -4.39 0.00 0.02 -1.66 -3.40 113.55 109.82 3kym h SER 26 Ca -0.43 0.13 -0.18 0.00 -0.84 0.00 0.00 61.79 60.47 3kym h SER 26 Cb 1.14 0.13 -0.24 0.00 0.14 0.00 0.00 62.40 63.56 3kym h SER 26 CO 0.48 0.05 -0.57 0.00 -1.14 0.00 0.00 176.83 175.65 3kym s GLN 27 N -6.01 0.28 -0.21 3.45 -2.07 -1.26 -4.97 119.66 108.87 3kym s GLN 27 Ca -0.12 -0.16 -0.15 0.00 -1.82 0.00 0.00 55.36 53.10 3kym s GLN 27 Cb 0.21 0.12 -0.07 0.00 -1.09 0.00 0.00 33.01 32.18 3kym s GLN 27 CO 0.76 -0.06 0.81 0.45 -1.32 0.00 0.00 175.29 175.93 3kym n SER 28 N 2.25 0.24 -1.81 12.60 2.88 -1.26 -4.73 113.62 123.78 3kym n SER 28 Ca -0.18 0.21 -0.17 0.00 -1.33 0.00 0.00 58.87 57.40 3kym n SER 28 Cb 0.57 -0.33 0.17 0.00 -0.75 0.00 0.00 64.21 63.88 3kym n SER 28 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3kym n VAL 29 N 2.41 2.97 0.00 2.46 0.24 -1.14 -4.90 118.33 120.37 3kym n VAL 29 Ca 0.21 -2.48 0.00 0.00 -2.04 0.00 0.00 64.34 60.02 3kym n VAL 29 Cb -0.01 -0.52 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 3kym n VAL 29 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3kym n SER 30 N -1.10 0.00 -1.26 -1.34 2.88 -1.26 -0.63 113.62 110.91 3kym n SER 30 Ca 0.49 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 58.07 3kym n SER 30 Cb 1.28 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.83 3kym n SER 30 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3kym n SER 31 N 2.61 1.36 -3.46 -3.46 3.41 -1.26 -3.16 113.62 109.67 3kym n SER 31 Ca 0.00 -2.70 -0.39 0.00 -0.26 0.00 0.00 58.87 55.52 3kym n SER 31 Cb 0.00 -0.39 0.02 0.00 -0.26 0.00 0.00 64.21 63.58 3kym n SER 31 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kym n TYR 32 N -0.13 2.94 -4.66 7.33 4.01 0.20 -2.83 117.16 124.01 3kym n TYR 32 Ca 0.11 -2.68 -0.31 0.00 -0.16 0.00 0.00 57.90 54.87 3kym n TYR 32 Cb 0.97 -1.11 -0.13 0.00 -0.31 0.00 0.00 39.34 38.77 3kym n TYR 32 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kym s LEU 33 N -4.21 2.64 -0.02 7.72 2.01 -1.26 -1.95 118.68 123.61 3kym s LEU 33 Ca 0.42 -0.40 0.00 0.00 0.01 0.00 0.00 54.13 54.16 3kym s LEU 33 Cb 0.24 -1.54 0.03 0.00 0.01 0.00 0.00 46.19 44.93 3kym s LEU 33 CO -0.17 0.26 0.02 0.00 1.01 0.00 0.00 176.35 177.47 3kym s ALA 34 N -0.92 0.15 0.15 4.21 0.00 0.16 -2.03 121.76 123.48 3kym s ALA 34 Ca 0.15 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.39 3kym s ALA 34 Cb -0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 3kym s ALA 34 CO 0.05 -0.09 0.26 -1.58 0.00 0.00 0.00 175.76 174.39 3kym s TRP 35 N 1.04 3.43 0.09 0.00 0.52 -0.05 -0.91 118.94 123.06 3kym s TRP 35 Ca -0.09 0.10 0.03 0.00 0.02 0.00 0.00 56.10 56.16 3kym s TRP 35 Cb -0.13 -1.65 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 3kym s TRP 35 CO -0.03 0.52 -0.08 0.71 0.02 0.00 0.00 176.95 178.09 3kym s TYR 36 N -1.73 0.93 0.03 -1.98 1.51 -0.33 -2.04 117.35 113.73 3kym s TYR 36 Ca 0.34 -0.72 0.08 0.00 -1.01 0.00 0.00 57.07 55.77 3kym s TYR 36 Cb -0.11 -0.52 -0.03 0.00 -0.11 0.00 0.00 41.96 41.19 3kym s TYR 36 CO 0.28 -0.07 -0.25 -1.14 -1.11 0.00 0.00 175.55 173.26 3kym s GLN 37 N -2.92 1.93 -0.36 -0.62 0.74 0.23 -3.02 119.66 115.64 3kym s GLN 37 Ca 0.05 -1.04 -0.00 0.00 0.05 0.00 0.00 55.36 54.42 3kym s GLN 37 Cb -0.01 -2.04 0.12 0.00 1.10 0.00 0.00 33.01 32.18 3kym s GLN 37 CO -0.02 0.53 0.18 -1.14 -0.55 0.00 0.00 175.29 174.29 3kym s GLN 38 N -1.13 0.76 0.74 1.67 0.74 -0.76 -1.35 119.66 120.33 3kym s GLN 38 Ca 0.12 -1.35 -0.14 0.00 0.05 0.00 0.00 55.36 54.05 3kym s GLN 38 Cb -0.10 -1.76 0.04 0.00 1.10 0.00 0.00 33.01 32.29 3kym s GLN 38 CO 0.02 -1.11 1.15 0.15 -0.55 0.00 0.00 175.29 174.95 3kym s LYS 39 N 1.15 2.23 -0.12 1.67 1.02 -1.26 -3.21 119.74 121.22 3kym s LYS 39 Ca 0.14 1.51 -0.34 0.00 0.02 0.00 0.00 55.97 57.30 3kym s LYS 39 Cb -0.21 -1.87 -0.12 0.00 -0.52 0.00 0.00 37.83 35.11 3kym s LYS 39 CO -0.11 -1.72 1.89 -2.30 -0.92 0.00 0.00 175.35 172.19 3kym n PRO 40 N -2.95 2.08 -0.96 -1.68 -0.02 -1.26 -2.09 135.00 128.11 3kym n PRO 40 Ca 0.11 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3kym n PRO 40 Cb 0.51 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 3kym n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kym n GLY 41 N 4.50 0.62 3.78 -1.23 0.00 -1.26 -5.01 105.19 106.59 3kym n GLY 41 Ca 0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 3kym n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kym s GLN 42 N -0.23 2.44 0.96 1.61 -0.21 -0.89 -5.11 119.66 118.23 3kym s GLN 42 Ca 0.00 -1.55 -0.12 0.00 0.02 0.00 0.00 55.36 53.72 3kym s GLN 42 Cb 0.00 -2.24 0.11 0.00 1.00 0.00 0.00 33.01 31.88 3kym s GLN 42 CO 0.00 0.01 0.76 0.00 -2.12 0.00 0.00 175.29 173.94 3kym n ALA 43 N -1.28 -1.93 -1.42 6.09 0.00 -1.26 -4.64 120.51 116.07 3kym n ALA 43 Ca -0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 53.44 52.46 3kym n ALA 43 Cb 0.62 -1.97 0.20 0.00 0.00 0.00 0.00 19.45 18.29 3kym n ALA 43 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kym s PRO 44 N -4.13 -0.06 0.01 0.00 0.02 -1.26 -4.47 135.00 125.11 3kym s PRO 44 Ca 0.62 -0.04 -0.12 0.00 0.02 0.00 0.00 61.00 61.48 3kym s PRO 44 Cb -0.22 -1.73 0.01 0.00 0.02 0.00 0.00 34.50 32.59 3kym s PRO 44 CO 0.63 -2.94 0.25 -0.98 -0.33 0.00 0.00 177.00 173.63 3kym s ARG 45 N -5.48 0.66 0.39 5.54 1.70 -0.46 -4.92 118.95 116.39 3kym s ARG 45 Ca 0.70 -0.37 -0.27 0.00 -0.47 0.00 0.00 55.73 55.32 3kym s ARG 45 Cb -0.10 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.47 3kym s ARG 45 CO 0.55 -0.19 1.33 -1.17 -1.08 0.00 0.00 175.30 174.74 3kym s LEU 46 N -1.62 4.26 -0.01 -1.89 2.96 -1.26 -0.60 118.68 120.52 3kym s LEU 46 Ca -0.11 2.73 -0.00 0.00 -0.22 0.00 0.00 54.13 56.53 3kym s LEU 46 Cb -0.04 -3.83 -0.00 0.00 0.50 0.00 0.00 46.19 42.82 3kym s LEU 46 CO 0.01 -0.81 -0.01 0.18 -1.32 0.00 0.00 176.35 174.40 3kym n LEU 47 N 0.28 1.40 -4.00 -0.68 4.77 -0.87 -4.77 117.00 113.14 3kym n LEU 47 Ca 0.03 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.81 3kym n LEU 47 Cb 0.43 -0.02 -0.15 0.00 -2.33 0.00 0.00 43.42 41.34 3kym n LEU 47 CO 0.58 0.24 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.82 3kym s ILE 48 N -2.01 0.73 0.24 -0.08 1.01 -1.24 -1.48 121.20 118.37 3kym s ILE 48 Ca -0.01 -0.34 0.10 0.00 0.00 0.00 0.00 60.65 60.40 3kym s ILE 48 Cb 0.00 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 3kym s ILE 48 CO 0.01 0.23 -0.09 -0.72 0.00 0.00 0.00 174.94 174.37 3kym s TYR 49 N 0.14 2.56 -1.33 3.97 -0.85 0.24 -0.87 117.35 121.21 3kym s TYR 49 Ca -0.02 -0.25 -0.07 0.00 -0.52 0.00 0.00 57.07 56.21 3kym s TYR 49 Cb -0.07 -1.18 0.01 0.00 0.38 0.00 0.00 41.96 41.10 3kym s TYR 49 CO 0.00 0.60 1.13 -0.25 -1.52 0.00 0.00 175.55 175.51 3kym n ASP 50 N -0.47 -5.23 0.00 -0.18 8.00 -0.86 -1.12 116.55 116.69 3kym n ASP 50 Ca -0.08 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.85 3kym n ASP 50 Cb 0.58 -4.99 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 3kym n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kym n ALA 51 N -4.79 0.00 0.03 2.24 0.00 -0.88 -4.35 120.51 112.77 3kym n ALA 51 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.40 3kym n ALA 51 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 3kym n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kym n SER 52 N 2.04 3.29 -4.84 0.00 3.41 -1.22 -3.31 113.62 112.98 3kym n SER 52 Ca 0.00 -0.08 -0.37 0.00 -0.26 0.00 0.00 58.87 58.16 3kym n SER 52 Cb 0.00 1.23 -0.06 0.00 -0.26 0.00 0.00 64.21 65.12 3kym n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3kym s ASN 53 N -2.52 6.53 -0.26 4.04 0.01 -0.27 -4.38 114.94 118.08 3kym s ASN 53 Ca -0.02 0.63 -0.29 0.00 -0.71 0.00 0.00 52.86 52.47 3kym s ASN 53 Cb 0.04 -2.14 0.01 0.00 0.41 0.00 0.00 41.25 39.56 3kym s ASN 53 CO 0.24 0.34 1.13 -0.13 -1.51 0.00 0.00 177.10 177.16 3kym s ARG 54 N -0.82 4.14 0.54 -0.60 0.52 -1.26 -0.59 118.95 120.88 3kym s ARG 54 Ca 0.18 1.29 -0.20 0.00 -0.52 0.00 0.00 55.73 56.48 3kym s ARG 54 Cb -0.14 -3.73 -0.08 0.00 0.52 0.00 0.00 34.95 31.52 3kym s ARG 54 CO 0.07 -0.81 0.77 0.00 0.02 0.00 0.00 175.30 175.34 3kym n ALA 55 N 6.75 -0.48 -1.66 2.13 0.00 -0.55 -4.86 120.51 121.85 3kym n ALA 55 Ca 0.13 0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 3kym n ALA 55 Cb 0.46 -1.97 0.03 0.00 0.00 0.00 0.00 19.45 17.98 3kym n ALA 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kym n THR 56 N -1.43 3.29 0.00 0.00 -1.04 -1.26 -1.56 114.28 112.28 3kym n THR 56 Ca 0.12 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 3kym n THR 56 Cb 0.45 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 3kym n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kym n GLY 57 N 1.04 2.78 3.69 3.41 0.00 -1.26 -4.97 105.19 109.88 3kym n GLY 57 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3kym n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kym s ILE 58 N -1.04 2.83 0.91 -0.61 -1.09 -0.60 -4.94 121.20 116.65 3kym s ILE 58 Ca 0.00 0.31 -0.20 0.00 -2.23 0.00 0.00 60.65 58.53 3kym s ILE 58 Cb 0.00 -3.20 -0.09 0.00 -1.58 0.00 0.00 42.46 37.59 3kym s ILE 58 CO 0.00 -0.00 -0.89 -2.65 -1.23 0.00 0.00 174.94 170.17 3kym n PRO 59 N 5.61 -0.37 0.08 2.79 -0.02 -1.26 -4.92 135.00 136.91 3kym n PRO 59 Ca 0.17 -0.11 0.10 0.00 -2.02 0.00 0.00 63.50 61.64 3kym n PRO 59 Cb 0.40 -1.12 -0.03 0.00 -0.02 0.00 0.00 33.50 32.72 3kym n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kym n ALA 60 N -3.57 2.48 -0.18 3.55 0.00 -1.26 -4.34 120.51 117.19 3kym n ALA 60 Ca -0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 3kym n ALA 60 Cb 0.55 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.96 3kym n ALA 60 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3kym h ARG 61 N 0.00 0.93 -6.77 0.00 0.11 -1.95 -3.44 114.38 103.27 3kym h ARG 61 Ca -0.02 -0.32 -0.53 0.00 0.10 0.00 0.00 59.98 59.21 3kym h ARG 61 Cb 1.08 -0.07 0.07 0.00 1.11 0.00 0.00 29.97 32.16 3kym h ARG 61 CO 0.01 0.97 0.87 -0.06 0.10 0.00 0.00 179.97 181.86 3kym s PHE 62 N -4.94 2.84 0.03 4.08 0.08 -1.26 -2.53 117.98 116.28 3kym s PHE 62 Ca -0.12 0.79 -0.09 0.00 0.12 0.00 0.00 56.93 57.63 3kym s PHE 62 Cb 0.12 -4.01 0.00 0.00 -0.57 0.00 0.00 43.02 38.56 3kym s PHE 62 CO 0.84 -3.44 0.18 -1.54 -0.10 0.00 0.00 175.22 171.16 3kym s SER 63 N 0.55 0.04 0.08 1.36 1.04 0.76 -4.98 113.70 112.54 3kym s SER 63 Ca 0.64 -0.35 0.08 0.00 0.48 0.00 0.00 55.95 56.80 3kym s SER 63 Cb -0.46 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 3kym s SER 63 CO 0.45 -0.52 -0.23 -0.83 0.98 0.00 0.00 173.24 173.09 3kym s GLY 64 N -1.97 1.27 -0.13 7.32 0.00 -1.26 0.57 107.32 113.12 3kym s GLY 64 Ca -0.07 -1.21 -0.21 0.00 0.00 0.00 0.00 44.72 43.23 3kym s GLY 64 CO -0.03 -1.17 0.53 -1.35 0.00 0.00 0.00 173.10 171.09 3kym s SER 65 N -1.56 -0.52 0.00 1.64 1.04 0.12 -4.15 113.70 110.27 3kym s SER 65 Ca 0.09 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.32 3kym s SER 65 Cb -0.10 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.84 3kym s SER 65 CO 0.03 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.51 3kym n GLY 66 N 2.01 0.67 3.55 7.32 0.00 -1.26 -0.84 105.19 116.63 3kym n GLY 66 Ca -0.17 -1.94 -0.07 0.00 0.00 0.00 0.00 46.02 43.85 3kym n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kym s SER 67 N -4.00 -0.27 1.89 1.61 0.01 0.15 -4.90 113.70 108.19 3kym s SER 67 Ca 0.00 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.25 3kym s SER 67 Cb 0.00 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.52 3kym s SER 67 CO 0.00 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.79 3kym n GLY 68 N -0.19 2.02 0.12 3.44 0.00 -1.19 0.97 105.19 110.37 3kym n GLY 68 Ca -0.05 0.36 -0.02 0.00 0.00 0.00 0.00 46.02 46.32 3kym n GLY 68 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kym h THR 69 N 0.00 1.40 -3.52 2.61 1.35 -1.85 -3.02 112.91 109.88 3kym h THR 69 Ca 0.00 -2.42 -0.71 0.00 -0.55 0.00 0.00 66.41 62.73 3kym h THR 69 Cb 0.00 2.34 -0.24 0.00 -1.73 0.00 0.00 68.15 68.51 3kym h THR 69 CO 0.00 0.67 -0.47 -1.61 -0.25 0.00 0.00 175.52 173.86 3kym s GLU 70 N -3.30 2.82 0.01 4.72 0.41 0.27 -0.54 118.70 123.09 3kym s GLU 70 Ca -0.00 -1.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.39 3kym s GLU 70 Cb 0.11 -3.82 -0.01 0.00 -1.78 0.00 0.00 34.13 28.64 3kym s GLU 70 CO 0.77 -0.79 -0.02 -0.06 -0.49 0.00 0.00 175.26 174.67 3kym s PHE 71 N 1.56 0.19 0.00 1.61 0.40 -0.02 0.32 117.98 122.04 3kym s PHE 71 Ca 0.03 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 3kym s PHE 71 Cb -0.20 -0.13 -0.00 0.00 0.51 0.00 0.00 43.02 43.20 3kym s PHE 71 CO 0.06 -0.05 -0.01 0.99 0.70 0.00 0.00 175.22 176.92 3kym s THR 72 N -0.45 0.05 -0.20 0.64 2.01 -0.02 -1.18 115.64 116.49 3kym s THR 72 Ca -0.04 -0.06 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 3kym s THR 72 Cb -0.03 -0.05 -0.04 0.00 0.01 0.00 0.00 72.50 72.38 3kym s THR 72 CO -0.00 -0.01 0.06 -0.22 -0.69 0.00 0.00 174.62 173.76 3kym s LEU 73 N -0.07 3.69 -0.05 4.42 2.96 -0.31 -0.70 118.68 128.62 3kym s LEU 73 Ca -0.00 -0.00 0.06 0.00 -0.22 0.00 0.00 54.13 53.97 3kym s LEU 73 Cb -0.01 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3kym s LEU 73 CO -0.00 0.12 -0.25 0.28 -1.32 0.00 0.00 176.35 175.18 3kym s THR 74 N 0.67 2.03 -0.30 3.68 -1.32 0.19 0.03 115.64 120.63 3kym s THR 74 Ca 0.03 -1.06 0.03 0.00 -1.21 0.00 0.00 61.69 59.48 3kym s THR 74 Cb -0.13 -1.72 0.08 0.00 -1.51 0.00 0.00 72.50 69.22 3kym s THR 74 CO 0.02 0.57 -0.02 -0.63 -2.21 0.00 0.00 174.62 172.35 3kym s ILE 75 N -0.23 2.16 0.21 5.08 1.01 0.05 -0.17 121.20 129.31 3kym s ILE 75 Ca -0.01 -1.98 -0.09 0.00 0.00 0.00 0.00 60.65 58.57 3kym s ILE 75 Cb -0.13 -2.45 0.15 0.00 0.01 0.00 0.00 42.46 40.04 3kym s ILE 75 CO 0.03 -0.35 1.77 0.77 0.00 0.00 0.00 174.94 177.15 3kym h SER 76 N 7.70 0.37 -3.30 3.58 4.64 -1.77 -1.86 113.55 122.91 3kym h SER 76 Ca -0.11 0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.12 3kym h SER 76 Cb 1.03 0.01 -0.28 0.00 -0.31 0.00 0.00 62.40 62.85 3kym h SER 76 CO 0.49 0.22 -0.39 -0.55 -0.87 0.00 0.00 176.83 175.73 3kym s SER 77 N -5.46 -0.39 -0.30 4.97 0.15 -1.23 -3.82 113.70 107.61 3kym s SER 77 Ca -0.13 0.71 -0.29 0.00 0.70 0.00 0.00 55.95 56.94 3kym s SER 77 Cb 0.17 0.59 0.01 0.00 -1.71 0.00 0.00 66.02 65.08 3kym s SER 77 CO 0.75 -0.18 1.17 -0.76 1.20 0.00 0.00 173.24 175.42 3kym s LEU 78 N 1.30 3.94 0.00 3.45 2.01 -0.77 -4.77 118.68 123.84 3kym s LEU 78 Ca -0.09 1.16 -0.12 0.00 0.01 0.00 0.00 54.13 55.08 3kym s LEU 78 Cb -0.09 -3.54 0.17 0.00 0.01 0.00 0.00 46.19 42.74 3kym s LEU 78 CO -0.10 -0.94 0.92 0.00 1.01 0.00 0.00 176.35 177.24 3kym n GLN 79 N 6.99 -1.22 0.24 1.70 3.00 -1.26 -1.50 117.38 125.33 3kym n GLN 79 Ca 0.13 -1.43 0.14 0.00 -0.01 0.00 0.00 57.00 55.83 3kym n GLN 79 Cb 0.47 -1.01 0.34 0.00 0.00 0.00 0.00 30.24 30.03 3kym n GLN 79 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 3kym h SER 80 N -1.43 0.00 0.31 1.08 0.02 -2.01 -3.29 113.55 108.24 3kym h SER 80 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3kym h SER 80 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3kym h SER 80 CO 0.21 0.00 -0.82 -0.62 -1.14 0.00 0.00 176.83 174.46 3kym n GLU 81 N -3.10 0.09 0.15 3.45 1.02 -1.26 -3.94 120.64 117.05 3kym n GLU 81 Ca 0.03 -0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.30 3kym n GLU 81 Cb 0.46 -1.53 0.39 0.00 -0.02 0.00 0.00 31.44 30.74 3kym n GLU 81 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3kym h ASP 82 N 0.00 0.00 -0.60 1.62 5.19 -1.95 -3.39 116.42 117.29 3kym h ASP 82 Ca 0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 3kym h ASP 82 Cb 0.57 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.04 3kym h ASP 82 CO 0.00 0.00 0.70 -0.36 -3.12 0.00 0.00 179.24 176.46 3kym s PHE 83 N -3.21 1.75 0.00 4.55 0.40 -1.25 -4.82 117.98 115.40 3kym s PHE 83 Ca 0.08 0.80 0.00 0.00 -0.60 0.00 0.00 56.93 57.21 3kym s PHE 83 Cb 0.10 -3.94 0.00 0.00 0.51 0.00 0.00 43.02 39.69 3kym s PHE 83 CO 0.58 -1.57 0.00 0.00 0.70 0.00 0.00 175.22 174.93 3kym n ALA 84 N 14.79 0.00 -2.49 5.36 0.00 -1.25 -4.85 120.51 132.06 3kym n ALA 84 Ca 0.42 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.54 3kym n ALA 84 Cb 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.79 3kym n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kym s VAL 85 N -1.63 3.12 -0.08 0.00 1.01 -1.20 -0.57 120.40 121.06 3kym s VAL 85 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3kym s VAL 85 Cb 0.00 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.14 3kym s VAL 85 CO 0.00 0.52 -0.15 -0.31 0.00 0.00 0.00 175.10 175.17 3kym s TYR 86 N -0.80 1.71 -0.06 5.22 1.51 0.31 -1.82 117.35 123.41 3kym s TYR 86 Ca 0.13 -0.67 0.04 0.00 -1.01 0.00 0.00 57.07 55.55 3kym s TYR 86 Cb -0.11 -1.22 -0.02 0.00 -0.11 0.00 0.00 41.96 40.50 3kym s TYR 86 CO 0.02 -0.33 -0.18 0.71 -1.11 0.00 0.00 175.55 174.67 3kym s TYR 87 N 0.66 2.63 0.16 2.71 1.51 -1.17 -1.63 117.35 122.23 3kym s TYR 87 Ca -0.14 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.55 3kym s TYR 87 Cb -0.16 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 3kym s TYR 87 CO 0.04 0.00 0.27 0.00 -1.11 0.00 0.00 175.55 174.75 3kym s GLN 89 N -3.32 0.10 0.23 0.00 0.74 -0.08 -0.28 119.66 117.04 3kym s GLN 89 Ca 0.34 0.14 0.06 0.00 0.05 0.00 0.00 55.36 55.95 3kym s GLN 89 Cb -0.11 0.03 -0.04 0.00 1.10 0.00 0.00 33.01 34.00 3kym s GLN 89 CO 0.28 -0.03 0.22 1.14 -0.55 0.00 0.00 175.29 176.35 3kym s GLN 90 N 0.14 3.04 -0.12 1.67 1.03 -0.98 -0.66 119.66 123.77 3kym s GLN 90 Ca -0.01 -0.95 0.17 0.00 0.04 0.00 0.00 55.36 54.61 3kym s GLN 90 Cb -0.02 -2.65 0.34 0.00 0.03 0.00 0.00 33.01 30.71 3kym s GLN 90 CO -0.00 0.43 1.18 2.48 -2.54 0.00 0.00 175.29 176.83 3kym n TYR 91 N -1.05 -0.07 0.09 9.60 4.11 -0.82 -3.99 117.16 125.03 3kym n TYR 91 Ca -0.08 -1.11 -0.13 0.00 -0.00 0.00 0.00 57.90 56.58 3kym n TYR 91 Cb 0.57 0.30 -0.08 0.00 -0.00 0.00 0.00 39.34 40.12 3kym n TYR 91 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 3kym h ASP 92 N 1.14 -0.19 -4.22 9.48 1.82 -1.87 -3.47 116.42 119.11 3kym h ASP 92 Ca -0.33 -0.21 -0.19 0.00 -0.39 0.00 0.00 57.03 55.91 3kym h ASP 92 Cb 1.52 0.05 -0.25 0.00 0.68 0.00 0.00 39.33 41.33 3kym h ASP 92 CO -0.03 0.12 -0.60 -0.54 -1.61 0.00 0.00 179.24 176.57 3kym s LYS 93 N -4.99 0.22 0.46 0.28 1.02 -1.26 -5.15 119.74 110.32 3kym s LYS 93 Ca -0.15 -0.10 -0.22 0.00 0.02 0.00 0.00 55.97 55.52 3kym s LYS 93 Cb 0.03 0.09 -0.08 0.00 -0.52 0.00 0.00 37.83 37.35 3kym s LYS 93 CO 0.61 -0.04 1.09 -0.46 -0.92 0.00 0.00 175.35 175.63 3kym s TRP 94 N -0.50 3.00 0.66 3.18 -0.00 -1.26 -4.46 118.94 119.57 3kym s TRP 94 Ca -0.06 1.58 -0.11 0.00 -0.00 0.00 0.00 56.10 57.51 3kym s TRP 94 Cb -0.04 -3.20 0.16 0.00 -0.00 0.00 0.00 33.47 30.39 3kym s TRP 94 CO 0.00 -1.05 0.67 -0.35 -0.00 0.00 0.00 176.95 176.22 3kym n PRO 95 N -0.60 -1.77 -3.76 5.86 -0.04 -1.26 -4.91 135.00 128.52 3kym n PRO 95 Ca 0.08 -1.06 -0.36 0.00 -0.04 0.00 0.00 63.50 62.11 3kym n PRO 95 Cb 0.50 -0.89 -0.07 0.00 -0.04 0.00 0.00 33.50 33.00 3kym n PRO 95 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kym s LEU 96 N 0.00 4.31 0.07 1.53 1.43 -1.26 -4.87 118.68 119.89 3kym s LEU 96 Ca 0.42 0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.99 3kym s LEU 96 Cb -0.03 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 3kym s LEU 96 CO 0.31 0.29 -0.15 0.42 0.23 0.00 0.00 176.35 177.45 3kym s THR 97 N -0.37 1.16 0.25 5.49 -4.23 -1.26 -5.04 115.64 111.64 3kym s THR 97 Ca 0.13 -1.27 0.11 0.00 -1.18 0.00 0.00 61.69 59.49 3kym s THR 97 Cb -0.12 -1.09 -0.05 0.00 1.34 0.00 0.00 72.50 72.58 3kym s THR 97 CO 0.02 -0.17 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.37 3kym s PHE 98 N -1.19 2.24 0.23 3.99 0.40 -1.26 -2.32 117.98 120.08 3kym s PHE 98 Ca -0.01 -0.36 -0.04 0.00 -0.60 0.00 0.00 56.93 55.93 3kym s PHE 98 Cb -0.10 -1.02 0.06 0.00 0.51 0.00 0.00 43.02 42.47 3kym s PHE 98 CO 0.02 0.62 0.28 0.41 0.70 0.00 0.00 175.22 177.25 3kym n GLY 99 N -0.31 -1.60 0.76 4.36 0.00 0.61 -4.37 105.19 104.64 3kym n GLY 99 Ca -0.08 -1.61 0.09 0.00 0.00 0.00 0.00 46.02 44.42 3kym n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kym n GLY 100 N 2.43 0.72 0.00 -0.02 0.00 -1.26 -4.81 105.19 102.24 3kym n GLY 100 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3kym n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kym n GLY 101 N 1.02 0.03 2.83 -0.02 0.00 -1.26 -5.00 105.19 102.79 3kym n GLY 101 Ca 0.12 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.20 3kym n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kym s THR 102 N -2.89 0.60 0.28 2.61 2.01 -0.64 -4.83 115.64 112.78 3kym s THR 102 Ca 0.00 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.67 3kym s THR 102 Cb 0.00 -0.69 -0.09 0.00 0.01 0.00 0.00 72.50 71.72 3kym s THR 102 CO 0.00 0.29 0.98 -0.75 -0.69 0.00 0.00 174.62 174.45 3kym s LYS 103 N 1.70 4.70 -0.27 4.92 2.20 -1.10 -0.53 119.74 131.36 3kym s LYS 103 Ca 0.02 1.52 0.03 0.00 -0.36 0.00 0.00 55.97 57.18 3kym s LYS 103 Cb -0.13 -3.10 0.06 0.00 -1.51 0.00 0.00 37.83 33.16 3kym s LYS 103 CO -0.05 0.35 -0.09 0.08 -0.36 0.00 0.00 175.35 175.28 3kym s VAL 104 N -1.31 2.24 0.03 4.02 1.01 0.27 -1.02 120.40 125.64 3kym s VAL 104 Ca 0.45 -1.66 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 3kym s VAL 104 Cb -0.25 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3kym s VAL 104 CO 0.32 -0.07 0.24 -0.70 0.00 0.00 0.00 175.10 174.89 3kym s GLU 105 N 1.10 3.50 -0.43 2.72 2.12 0.30 -3.94 118.70 124.08 3kym s GLU 105 Ca -0.08 -0.24 -0.29 0.00 0.36 0.00 0.00 54.97 54.73 3kym s GLU 105 Cb -0.20 -3.05 0.01 0.00 0.26 0.00 0.00 34.13 31.15 3kym s GLU 105 CO -0.05 0.63 1.44 0.42 -0.54 0.00 0.00 175.26 177.16 3kym s ILE 106 N -1.39 3.86 0.43 -3.70 1.01 -1.26 -1.79 121.20 118.36 3kym s ILE 106 Ca 0.31 0.85 -0.25 0.00 0.00 0.00 0.00 60.65 61.56 3kym s ILE 106 Cb -0.13 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 38.04 3kym s ILE 106 CO 0.20 -0.81 1.18 1.17 0.00 0.00 0.00 174.94 176.68 3kym n LYS 107 N 8.20 1.68 -3.47 2.79 3.00 0.24 -4.85 118.16 125.76 3kym n LYS 107 Ca 0.16 0.60 -0.12 0.00 -0.00 0.00 0.00 58.31 58.95 3kym n LYS 107 Cb 0.48 -2.27 -0.03 0.00 0.00 0.00 0.00 35.03 33.22 3kym n LYS 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3kym s ARG 108 N -2.19 1.22 0.18 1.64 3.52 -1.26 -4.76 118.95 117.30 3kym s ARG 108 Ca 0.63 -0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 55.51 3kym s ARG 108 Cb -0.52 0.56 -0.08 0.00 -1.56 0.00 0.00 34.95 33.35 3kym s ARG 108 CO 0.57 -0.51 1.14 0.95 -0.81 0.00 0.00 175.30 176.64 3kym s THR 109 N -3.44 3.75 -0.12 4.11 -4.23 -1.26 -4.95 115.64 109.49 3kym s THR 109 Ca -0.00 1.49 -0.41 0.00 -1.18 0.00 0.00 61.69 61.59 3kym s THR 109 Cb -0.01 -3.95 -0.19 0.00 1.34 0.00 0.00 72.50 69.69 3kym s THR 109 CO -0.10 0.25 1.32 0.52 -0.54 0.00 0.00 174.62 176.07 3kym n VAL 110 N 2.43 0.04 -4.29 2.29 0.31 -1.26 -4.86 118.33 112.99 3kym n VAL 110 Ca 0.03 -0.01 -0.28 0.00 -0.01 0.00 0.00 64.34 64.08 3kym n VAL 110 Cb 0.46 -0.43 -0.17 0.00 -0.91 0.00 0.00 33.84 32.79 3kym n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kym s ALA 111 N 1.18 1.59 0.15 3.52 0.00 -1.09 -4.97 121.76 122.13 3kym s ALA 111 Ca 0.94 -0.68 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 3kym s ALA 111 Cb -1.23 -0.85 -0.07 0.00 0.00 0.00 0.00 23.12 20.96 3kym s ALA 111 CO 0.61 -0.17 1.24 0.00 0.00 0.00 0.00 175.76 177.44 3kym s ALA 112 N 1.18 3.46 0.37 0.00 0.00 -1.26 -2.80 121.76 122.70 3kym s ALA 112 Ca -0.03 0.97 -0.25 0.00 0.00 0.00 0.00 51.96 52.64 3kym s ALA 112 Cb -0.14 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 3kym s ALA 112 CO -0.04 -0.44 1.05 -1.25 0.00 0.00 0.00 175.76 175.08 3kym s PRO 113 N 0.30 4.30 -0.03 0.00 0.04 -1.26 -4.77 135.00 133.59 3kym s PRO 113 Ca 0.56 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 62.92 3kym s PRO 113 Cb -0.33 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 3kym s PRO 113 CO 0.34 -0.03 0.72 -1.54 0.04 0.00 0.00 177.00 176.54 3kym s SER 114 N -1.42 7.07 0.07 6.66 1.04 -0.94 -4.78 113.70 121.39 3kym s SER 114 Ca 0.54 1.28 -0.03 0.00 0.48 0.00 0.00 55.95 58.22 3kym s SER 114 Cb -0.24 -2.43 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 3kym s SER 114 CO 0.30 -0.07 0.27 -0.69 0.98 0.00 0.00 173.24 174.03 3kym s VAL 115 N 0.50 5.31 0.17 5.02 1.01 -1.26 -1.16 120.40 129.99 3kym s VAL 115 Ca 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3kym s VAL 115 Cb -0.19 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3kym s VAL 115 CO 0.20 0.17 0.06 -0.36 0.00 0.00 0.00 175.10 175.17 3kym s PHE 116 N -1.50 1.10 0.04 5.22 0.40 -0.54 -4.98 117.98 117.72 3kym s PHE 116 Ca 0.35 -1.20 0.01 0.00 -0.60 0.00 0.00 56.93 55.49 3kym s PHE 116 Cb -0.13 -0.61 -0.03 0.00 0.51 0.00 0.00 43.02 42.77 3kym s PHE 116 CO 0.24 -0.44 -0.05 -1.50 0.70 0.00 0.00 175.22 174.18 3kym s ILE 117 N -3.93 0.31 -0.11 0.64 2.07 -1.26 -2.15 121.20 116.78 3kym s ILE 117 Ca 0.29 -1.28 -0.03 0.00 -1.41 0.00 0.00 60.65 58.21 3kym s ILE 117 Cb 0.07 -0.80 0.05 0.00 0.13 0.00 0.00 42.46 41.91 3kym s ILE 117 CO 0.06 -0.63 0.10 -0.36 -1.91 0.00 0.00 174.94 172.20 3kym s PHE 118 N -2.26 0.04 0.85 3.50 2.99 0.90 -4.99 117.98 119.01 3kym s PHE 118 Ca -0.06 0.11 -0.12 0.00 0.00 0.00 0.00 56.93 56.87 3kym s PHE 118 Cb -0.04 -0.51 0.10 0.00 0.00 0.00 0.00 43.02 42.58 3kym s PHE 118 CO -0.03 -0.35 1.12 -2.14 -0.00 0.00 0.00 175.22 173.81 3kym s PRO 119 N 2.19 1.61 0.35 0.24 0.02 -1.26 -2.08 135.00 136.07 3kym s PRO 119 Ca 0.04 0.47 0.04 0.00 0.02 0.00 0.00 61.00 61.57 3kym s PRO 119 Cb -0.14 -1.88 0.67 0.00 0.02 0.00 0.00 34.50 33.17 3kym s PRO 119 CO -0.06 -1.91 1.96 -1.35 -0.33 0.00 0.00 177.00 175.31 3kym h PRO 120 N -1.29 0.82 -1.18 5.54 0.11 -1.94 -3.46 132.00 130.60 3kym h PRO 120 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3kym h PRO 120 Cb 1.30 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kym h PRO 120 CO 0.61 0.54 0.00 -1.13 -0.21 0.00 0.00 178.00 177.81 3kym n SER 121 N -4.47 -1.83 -3.82 -2.05 3.41 -1.26 -4.45 113.62 99.15 3kym n SER 121 Ca 0.10 0.00 -0.55 0.00 -0.26 0.00 0.00 58.87 58.17 3kym n SER 121 Cb 0.17 -0.92 -0.08 0.00 -0.26 0.00 0.00 64.21 63.12 3kym n SER 121 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kym n ASP 122 N 0.00 0.93 0.00 4.04 8.00 -1.26 -0.69 116.55 127.57 3kym n ASP 122 Ca 0.00 0.91 0.00 0.00 0.71 0.00 0.00 54.79 56.41 3kym n ASP 122 Cb 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 3kym n ASP 122 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3kym n GLU 123 N 3.71 0.00 0.02 -1.24 2.13 -1.26 -4.82 120.64 119.17 3kym n GLU 123 Ca 0.28 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 58.07 3kym n GLU 123 Cb -0.05 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.56 3kym n GLU 123 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3kym h GLN 124 N 0.00 0.00 -0.19 5.31 1.08 -1.12 -3.34 115.11 116.84 3kym h GLN 124 Ca 0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 3kym h GLN 124 Cb 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3kym h GLN 124 CO 0.00 0.41 -0.16 -0.07 -0.95 0.00 0.00 178.83 178.05 3kym h LEU 125 N 0.00 0.48 -2.09 1.46 3.38 -1.65 -2.76 115.31 114.13 3kym h LEU 125 Ca -0.20 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.37 3kym h LEU 125 Cb 1.76 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 3kym h LEU 125 CO 0.06 0.84 0.33 0.07 0.09 0.00 0.00 178.44 179.83 3kym h LYS 126 N 0.13 0.00 -0.03 1.13 5.09 -1.85 -0.52 116.57 120.52 3kym h LYS 126 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.77 3kym h LYS 126 Cb 0.69 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.02 3kym h LYS 126 CO 0.04 0.00 -0.04 0.43 -2.09 0.00 0.00 179.45 177.79 3kym n SER 127 N -3.43 2.72 0.00 7.07 7.64 -1.07 -5.00 113.62 121.56 3kym n SER 127 Ca 0.02 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 58.01 3kym n SER 127 Cb 0.45 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 3kym n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kym n GLY 128 N 1.34 2.84 3.43 0.23 0.00 -0.20 -5.03 105.19 107.79 3kym n GLY 128 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3kym n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kym s THR 129 N -2.69 4.95 -0.81 2.61 2.01 -1.07 0.20 115.64 120.85 3kym s THR 129 Ca 0.00 -0.72 -0.13 0.00 0.31 0.00 0.00 61.69 61.16 3kym s THR 129 Cb 0.00 -3.74 0.21 0.00 0.01 0.00 0.00 72.50 68.98 3kym s THR 129 CO 0.00 -0.25 0.73 0.00 -0.69 0.00 0.00 174.62 174.41 3kym s ALA 130 N 1.63 4.04 -0.20 7.40 0.00 -0.66 -3.88 121.76 130.08 3kym s ALA 130 Ca 0.04 -3.32 -0.12 0.00 0.00 0.00 0.00 51.96 48.55 3kym s ALA 130 Cb -0.19 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 3kym s ALA 130 CO 0.08 -2.26 0.24 0.45 0.00 0.00 0.00 175.76 174.27 3kym s SER 131 N 2.00 6.29 -0.14 0.00 0.15 -1.26 -2.04 113.70 118.70 3kym s SER 131 Ca 0.18 0.33 -0.00 0.00 0.70 0.00 0.00 55.95 57.16 3kym s SER 131 Cb -0.11 -2.15 -0.01 0.00 -1.71 0.00 0.00 66.02 62.04 3kym s SER 131 CO -0.08 0.07 -0.13 -0.69 1.20 0.00 0.00 173.24 173.61 3kym s VAL 132 N 0.77 2.97 -0.11 4.45 1.01 0.23 -3.63 120.40 126.10 3kym s VAL 132 Ca 0.12 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3kym s VAL 132 Cb -0.13 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 3kym s VAL 132 CO 0.03 0.52 -0.20 -0.69 0.00 0.00 0.00 175.10 174.76 3kym s VAL 133 N 0.48 2.40 0.23 2.92 1.01 -0.88 -3.21 120.40 123.35 3kym s VAL 133 Ca -0.10 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.08 3kym s VAL 133 Cb -0.16 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3kym s VAL 133 CO 0.04 0.55 -0.08 0.00 0.00 0.00 0.00 175.10 175.62 3kym s LEU 135 N -3.30 -0.15 -0.28 0.00 2.96 -0.91 -2.50 118.68 114.50 3kym s LEU 135 Ca 0.28 0.73 -0.09 0.00 -0.22 0.00 0.00 54.13 54.84 3kym s LEU 135 Cb -0.07 1.00 -0.03 0.00 0.50 0.00 0.00 46.19 47.59 3kym s LEU 135 CO 0.17 -0.21 0.13 -0.76 -1.32 0.00 0.00 176.35 174.36 3kym s LEU 136 N 1.93 3.82 -0.18 -0.68 1.43 -0.68 -1.47 118.68 122.85 3kym s LEU 136 Ca -0.05 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3kym s LEU 136 Cb -0.11 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 3kym s LEU 136 CO -0.10 -0.09 -0.03 0.21 0.23 0.00 0.00 176.35 176.57 3kym s ASN 137 N 1.66 4.69 -0.86 2.29 3.04 -0.31 -1.14 114.94 124.32 3kym s ASN 137 Ca 0.06 -0.21 -0.04 0.00 0.04 0.00 0.00 52.86 52.71 3kym s ASN 137 Cb -0.16 -1.78 -0.05 0.00 -1.54 0.00 0.00 41.25 37.72 3kym s ASN 137 CO 0.07 0.10 0.75 0.59 -3.04 0.00 0.00 177.10 175.57 3kym n ASN 138 N 3.98 -5.49 -4.88 -4.21 4.13 -0.77 -2.21 115.26 105.81 3kym n ASN 138 Ca -0.17 -0.57 -0.22 0.00 1.68 0.00 0.00 54.58 55.29 3kym n ASN 138 Cb 0.52 -4.32 -0.03 0.00 -1.54 0.00 0.00 39.78 34.42 3kym n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3kym s PHE 139 N -3.31 2.40 -0.29 3.10 -0.12 0.42 -4.35 117.98 115.84 3kym s PHE 139 Ca 0.34 -0.59 -0.24 0.00 -0.05 0.00 0.00 56.93 56.40 3kym s PHE 139 Cb -0.04 -2.10 0.14 0.00 -0.63 0.00 0.00 43.02 40.39 3kym s PHE 139 CO 0.60 -0.22 1.13 -0.47 -0.05 0.00 0.00 175.22 176.21 3kym s TYR 140 N -2.56 -0.38 1.07 3.49 5.04 -1.12 -1.94 117.35 120.95 3kym s TYR 140 Ca 0.45 0.89 -0.18 0.00 -2.44 0.00 0.00 57.07 55.79 3kym s TYR 140 Cb -0.02 0.38 0.25 0.00 0.35 0.00 0.00 41.96 42.92 3kym s TYR 140 CO 0.26 -0.18 1.22 -0.35 -1.34 0.00 0.00 175.55 175.16 3kym n PRO 141 N 2.28 -2.02 0.15 4.97 -0.04 -1.26 -2.66 135.00 136.42 3kym n PRO 141 Ca -0.13 -1.91 -0.15 0.00 -0.04 0.00 0.00 63.50 61.27 3kym n PRO 141 Cb 0.56 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 3kym n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3kym h ARG 142 N 0.00 -0.69 -4.58 0.54 2.43 -2.00 -3.44 114.38 106.63 3kym h ARG 142 Ca -0.42 0.05 -0.61 0.00 -0.81 0.00 0.00 59.98 58.19 3kym h ARG 142 Cb 1.20 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 3kym h ARG 142 CO 0.29 -0.46 0.86 -1.91 -1.51 0.00 0.00 179.97 177.23 3kym n GLU 143 N -5.48 0.00 -3.63 0.20 0.00 -1.26 -4.94 120.64 105.53 3kym n GLU 143 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 56.94 3kym n GLU 143 Cb 0.39 -1.15 -0.07 0.00 0.00 0.00 0.00 31.44 30.62 3kym n GLU 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kym s ALA 144 N 3.86 -1.80 -0.05 4.31 0.00 -1.26 -4.57 121.76 122.26 3kym s ALA 144 Ca 0.88 2.03 0.05 0.00 0.00 0.00 0.00 51.96 54.92 3kym s ALA 144 Cb -1.15 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.75 3kym s ALA 144 CO 0.54 -0.33 -0.19 -1.59 0.00 0.00 0.00 175.76 174.19 3kym s LYS 145 N 0.39 2.47 -0.24 0.00 -2.85 -1.26 -4.95 119.74 113.30 3kym s LYS 145 Ca 0.00 -0.80 0.02 0.00 -1.00 0.00 0.00 55.97 54.20 3kym s LYS 145 Cb -0.05 -2.27 0.05 0.00 -2.06 0.00 0.00 37.83 33.51 3kym s LYS 145 CO 0.00 0.53 -0.10 0.08 0.10 0.00 0.00 175.35 175.96 3kym s VAL 146 N -0.52 1.94 -0.19 1.79 1.01 -1.26 -2.52 120.40 120.65 3kym s VAL 146 Ca 0.07 -1.39 -0.07 0.00 0.00 0.00 0.00 61.98 60.59 3kym s VAL 146 Cb -0.11 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3kym s VAL 146 CO 0.01 0.04 0.05 -1.10 0.00 0.00 0.00 175.10 174.10 3kym s GLN 147 N 1.23 3.88 -0.46 2.72 -0.21 -0.89 -4.95 119.66 120.99 3kym s GLN 147 Ca -0.06 -0.39 -0.23 0.00 0.02 0.00 0.00 55.36 54.71 3kym s GLN 147 Cb -0.19 -3.20 0.03 0.00 1.00 0.00 0.00 33.01 30.66 3kym s GLN 147 CO -0.06 0.19 0.77 -1.58 -2.12 0.00 0.00 175.29 172.48 3kym s TRP 148 N 0.58 2.99 -0.29 0.91 0.52 -1.26 -2.73 118.94 119.65 3kym s TRP 148 Ca 0.02 0.08 -0.21 0.00 0.02 0.00 0.00 56.10 56.01 3kym s TRP 148 Cb -0.13 -3.64 -0.01 0.00 -1.15 0.00 0.00 33.47 28.54 3kym s TRP 148 CO 0.01 -1.00 0.67 0.15 0.02 0.00 0.00 176.95 176.81 3kym s LYS 149 N 3.23 3.96 -0.54 4.98 -0.14 -0.69 -1.36 119.74 129.19 3kym s LYS 149 Ca 0.28 0.43 -0.14 0.00 -1.36 0.00 0.00 55.97 55.18 3kym s LYS 149 Cb -0.13 -3.71 0.13 0.00 -1.68 0.00 0.00 37.83 32.44 3kym s LYS 149 CO 0.21 -0.57 0.47 0.54 -0.76 0.00 0.00 175.35 175.25 3kym s VAL 150 N 2.68 4.91 0.00 3.17 0.11 0.18 -2.03 120.40 129.41 3kym s VAL 150 Ca 0.27 -1.68 0.00 0.00 -2.93 0.00 0.00 61.98 57.65 3kym s VAL 150 Cb -0.15 -4.16 0.00 0.00 -1.53 0.00 0.00 36.38 30.54 3kym s VAL 150 CO 0.11 -0.85 0.00 0.47 -3.33 0.00 0.00 175.10 171.50 3kym n ASP 151 N 5.03 0.00 -0.09 3.54 9.92 -1.26 -0.33 116.55 133.36 3kym n ASP 151 Ca -0.10 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.17 3kym n ASP 151 Cb 0.41 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.90 3kym n ASP 151 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3kym n ASN 152 N 0.00 0.76 -4.65 -2.24 5.15 -1.26 -4.85 115.26 108.17 3kym n ASN 152 Ca 0.00 -1.62 -0.38 0.00 -0.60 0.00 0.00 54.58 51.98 3kym n ASN 152 Cb 0.00 -0.07 0.05 0.00 -0.53 0.00 0.00 39.78 39.23 3kym n ASN 152 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kym n ALA 153 N -0.27 0.52 -1.91 5.20 0.00 0.55 -4.90 120.51 119.70 3kym n ALA 153 Ca 0.01 0.06 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 3kym n ALA 153 Cb 0.48 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.73 3kym n ALA 153 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3kym s LEU 154 N -2.25 4.44 -0.02 0.00 2.96 -1.26 0.48 118.68 123.03 3kym s LEU 154 Ca 0.74 2.44 0.01 0.00 -0.22 0.00 0.00 54.13 57.10 3kym s LEU 154 Cb -0.43 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.60 3kym s LEU 154 CO 0.48 -0.46 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.45 3kym s GLN 155 N -0.74 2.74 -0.12 1.98 2.00 -0.46 -4.88 119.66 120.17 3kym s GLN 155 Ca 0.53 -0.61 -0.09 0.00 -2.00 0.00 0.00 55.36 53.19 3kym s GLN 155 Cb -0.36 -2.62 0.04 0.00 0.80 0.00 0.00 33.01 30.86 3kym s GLN 155 CO 0.42 0.63 0.31 0.45 -0.50 0.00 0.00 175.29 176.61 3kym s SER 156 N -1.33 -0.35 0.00 6.67 0.15 -1.26 -4.53 113.70 113.05 3kym s SER 156 Ca 0.17 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.47 3kym s SER 156 Cb -0.11 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 3kym s SER 156 CO 0.07 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.98 3kym n GLY 157 N 3.66 0.57 0.89 9.45 0.00 -1.26 -4.98 105.19 113.52 3kym n GLY 157 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3kym n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kym n ASN 158 N 0.00 -1.39 -4.52 1.61 6.94 -1.26 -5.14 115.26 111.50 3kym n ASN 158 Ca 0.00 0.52 -0.50 0.00 -0.02 0.00 0.00 54.58 54.58 3kym n ASN 158 Cb 0.00 1.55 -0.04 0.00 -2.36 0.00 0.00 39.78 38.93 3kym n ASN 158 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 3kym n SER 159 N -2.89 0.40 -4.20 0.53 2.88 -1.26 -4.81 113.62 104.27 3kym n SER 159 Ca 0.00 1.15 -0.32 0.00 -1.33 0.00 0.00 58.87 58.36 3kym n SER 159 Cb 0.00 -1.10 -0.16 0.00 -0.75 0.00 0.00 64.21 62.20 3kym n SER 159 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3kym s GLN 160 N -0.60 3.05 0.89 -1.46 -0.21 -0.58 -4.84 119.66 115.91 3kym s GLN 160 Ca 0.73 -0.85 -0.11 0.00 0.02 0.00 0.00 55.36 55.14 3kym s GLN 160 Cb -0.93 -2.42 0.13 0.00 1.00 0.00 0.00 33.01 30.78 3kym s GLN 160 CO 0.55 0.04 1.09 -1.83 -2.12 0.00 0.00 175.29 173.02 3kym s GLU 161 N 0.69 1.30 -0.30 2.91 -1.05 -1.26 -1.78 118.70 119.20 3kym s GLU 161 Ca -0.10 1.00 -0.10 0.00 -0.15 0.00 0.00 54.97 55.61 3kym s GLU 161 Cb -0.16 -1.80 0.17 0.00 -0.44 0.00 0.00 34.13 31.90 3kym s GLU 161 CO 0.01 -2.26 0.87 0.45 0.95 0.00 0.00 175.26 175.28 3kym s SER 162 N -3.25 -0.81 -0.10 0.83 0.15 -0.87 -4.93 113.70 104.71 3kym s SER 162 Ca 0.64 0.76 0.03 0.00 0.70 0.00 0.00 55.95 58.08 3kym s SER 162 Cb -0.19 1.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.90 3kym s SER 162 CO 0.57 -0.15 -0.22 -0.69 1.20 0.00 0.00 173.24 173.95 3kym s VAL 163 N 2.76 1.94 0.31 4.45 1.01 -1.26 -1.80 120.40 127.80 3kym s VAL 163 Ca 0.03 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 3kym s VAL 163 Cb -0.10 -1.69 -0.10 0.00 0.00 0.00 0.00 36.38 34.49 3kym s VAL 163 CO -0.17 0.53 0.95 0.28 0.00 0.00 0.00 175.10 176.70 3kym s THR 164 N 0.48 4.15 0.66 3.92 -1.32 -0.83 -4.99 115.64 117.69 3kym s THR 164 Ca -0.16 1.85 -0.16 0.00 -1.21 0.00 0.00 61.69 62.01 3kym s THR 164 Cb -0.17 -4.06 -0.00 0.00 -1.51 0.00 0.00 72.50 66.75 3kym s THR 164 CO 0.06 0.21 1.14 -1.61 -2.21 0.00 0.00 174.62 172.22 3kym s GLU 165 N -1.88 2.73 -0.47 7.08 0.41 -1.26 -4.27 118.70 121.03 3kym s GLU 165 Ca 0.48 1.53 -0.43 0.00 -0.41 0.00 0.00 54.97 56.15 3kym s GLU 165 Cb -0.21 -1.93 -0.18 0.00 -1.78 0.00 0.00 34.13 30.03 3kym s GLU 165 CO 0.26 -1.33 1.82 1.04 -0.49 0.00 0.00 175.26 176.56 3kym n GLN 166 N -2.28 0.00 -1.34 1.61 6.02 -1.26 -4.87 117.38 115.25 3kym n GLN 166 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 3kym n GLN 166 Cb 0.51 -1.42 -0.00 0.00 1.02 0.00 0.00 30.24 30.35 3kym n GLN 166 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3kym n ASP 167 N 5.78 -2.29 -4.01 1.08 4.64 0.72 -4.79 116.55 117.68 3kym n ASP 167 Ca 0.43 0.85 -0.30 0.00 -1.38 0.00 0.00 54.79 54.40 3kym n ASP 167 Cb -0.05 -0.94 0.22 0.00 -1.04 0.00 0.00 41.12 39.31 3kym n ASP 167 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 3kym s SER 168 N -0.99 1.64 0.00 1.67 0.01 -1.26 -2.24 113.70 112.53 3kym s SER 168 Ca 0.61 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.49 3kym s SER 168 Cb -0.65 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 64.69 3kym s SER 168 CO 0.61 -3.68 0.00 1.17 0.41 0.00 0.00 173.24 171.75 3kym n LYS 169 N -4.46 0.00 -0.06 12.44 4.81 -1.26 -3.26 118.16 126.37 3kym n LYS 169 Ca 0.12 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.60 3kym n LYS 169 Cb 0.59 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.71 3kym n LYS 169 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3kym n ASP 170 N 1.08 2.16 -4.19 3.14 5.75 -1.26 -5.04 116.55 118.19 3kym n ASP 170 Ca 0.00 -1.68 -0.35 0.00 -0.01 0.00 0.00 54.79 52.75 3kym n ASP 170 Cb 0.00 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 39.98 3kym n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3kym n SER 171 N 0.29 -3.00 -4.99 -1.12 7.64 -0.95 -4.94 113.62 106.55 3kym n SER 171 Ca 0.06 -1.01 -0.19 0.00 1.01 0.00 0.00 58.87 58.75 3kym n SER 171 Cb 0.28 -2.80 0.02 0.00 -1.01 0.00 0.00 64.21 60.70 3kym n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3kym s THR 172 N -3.37 2.63 0.19 0.44 -4.23 -1.26 -4.60 115.64 105.44 3kym s THR 172 Ca 0.66 -1.07 0.09 0.00 -1.18 0.00 0.00 61.69 60.19 3kym s THR 172 Cb -0.36 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 3kym s THR 172 CO 0.92 0.00 -0.12 -0.31 -0.54 0.00 0.00 174.62 174.58 3kym s TYR 173 N -2.48 2.57 0.03 3.99 1.51 -0.82 -0.20 117.35 121.94 3kym s TYR 173 Ca 0.55 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 56.37 3kym s TYR 173 Cb -0.07 -1.24 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 3kym s TYR 173 CO 0.33 0.53 -0.05 -1.12 -1.11 0.00 0.00 175.55 174.13 3kym s SER 174 N -2.89 0.47 0.05 2.29 0.01 -1.26 -0.43 113.70 111.93 3kym s SER 174 Ca 0.25 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 57.02 3kym s SER 174 Cb -0.08 0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.20 3kym s SER 174 CO 0.15 -0.26 -0.09 -0.22 0.41 0.00 0.00 173.24 173.22 3kym s LEU 175 N -1.49 2.25 -0.10 2.44 0.20 -0.29 -1.97 118.68 119.72 3kym s LEU 175 Ca -0.14 -0.55 -0.01 0.00 0.69 0.00 0.00 54.13 54.13 3kym s LEU 175 Cb -0.10 -0.25 0.03 0.00 -0.43 0.00 0.00 46.19 45.44 3kym s LEU 175 CO -0.00 -0.17 -0.06 -0.94 -0.29 0.00 0.00 176.35 174.89 3kym s SER 176 N -1.57 1.99 -0.07 3.68 1.04 -0.74 -1.69 113.70 116.33 3kym s SER 176 Ca -0.08 -0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.07 3kym s SER 176 Cb -0.10 -0.73 -0.04 0.00 0.10 0.00 0.00 66.02 65.26 3kym s SER 176 CO 0.01 -0.13 0.09 -0.55 0.98 0.00 0.00 173.24 173.64 3kym s SER 177 N 1.74 5.92 -0.25 7.02 0.15 -1.04 -2.06 113.70 125.18 3kym s SER 177 Ca 0.04 0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.97 3kym s SER 177 Cb -0.13 -1.81 0.12 0.00 -1.71 0.00 0.00 66.02 62.50 3kym s SER 177 CO -0.07 0.36 0.30 -0.89 1.20 0.00 0.00 173.24 174.14 3kym s THR 178 N -1.06 -0.45 0.01 6.45 2.01 -0.74 -2.16 115.64 119.71 3kym s THR 178 Ca 0.18 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 61.97 3kym s THR 178 Cb -0.12 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 3kym s THR 178 CO 0.07 -0.28 -0.10 -1.48 -0.69 0.00 0.00 174.62 172.14 3kym s LEU 179 N 2.41 3.01 0.00 4.42 2.34 -1.20 -1.53 118.68 128.14 3kym s LEU 179 Ca 0.09 -0.22 0.00 0.00 0.06 0.00 0.00 54.13 54.06 3kym s LEU 179 Cb -0.15 -1.73 0.00 0.00 -0.56 0.00 0.00 46.19 43.75 3kym s LEU 179 CO -0.21 0.28 0.00 0.41 -1.06 0.00 0.00 176.35 175.76 3kym n THR 180 N 1.57 -0.59 -4.57 5.48 -1.04 -1.13 0.77 114.28 114.77 3kym n THR 180 Ca -0.16 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.58 3kym n THR 180 Cb 0.52 -1.92 -0.08 0.00 -1.82 0.00 0.00 70.33 67.04 3kym n THR 180 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3kym s LEU 181 N -1.04 2.10 0.74 -4.42 1.43 -0.86 -4.88 118.68 111.74 3kym s LEU 181 Ca 0.00 -1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 51.35 3kym s LEU 181 Cb 0.00 -0.29 0.05 0.00 0.03 0.00 0.00 46.19 45.98 3kym s LEU 181 CO 0.00 -0.88 1.10 -0.94 0.23 0.00 0.00 176.35 175.86 3kym s SER 182 N -3.67 4.99 0.25 2.29 1.04 -1.26 -1.65 113.70 115.69 3kym s SER 182 Ca 0.20 0.86 -0.04 0.00 0.48 0.00 0.00 55.95 57.46 3kym s SER 182 Cb 0.03 -1.53 0.47 0.00 0.10 0.00 0.00 66.02 65.09 3kym s SER 182 CO 0.12 -1.59 1.72 0.07 0.98 0.00 0.00 173.24 174.54 3kym h LYS 183 N -0.77 0.39 0.41 4.02 -0.00 0.20 -3.20 116.57 117.61 3kym h LYS 183 Ca -0.45 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.65 60.15 3kym h LYS 183 Cb 1.29 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 3kym h LYS 183 CO 0.64 0.26 -0.20 0.00 -0.00 0.00 0.00 179.45 180.15 3kym h ALA 184 N 1.57 -0.55 -1.22 0.07 0.00 -1.94 -2.50 119.26 114.69 3kym h ALA 184 Ca 0.42 -0.19 0.36 0.00 0.00 0.00 0.00 54.91 55.51 3kym h ALA 184 Cb 0.66 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 3kym h ALA 184 CO -0.43 -0.61 0.80 -0.44 0.00 0.00 0.00 179.25 178.57 3kym h ASP 185 N -0.96 0.29 0.14 0.00 5.19 -1.96 0.02 116.42 119.13 3kym h ASP 185 Ca -0.06 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 3kym h ASP 185 Cb 0.55 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.13 3kym h ASP 185 CO 0.09 -0.05 -0.07 0.22 -3.12 0.00 0.00 179.24 176.32 3kym h TYR 186 N 0.19 -0.17 0.00 4.55 3.20 -1.54 -3.32 116.97 119.88 3kym h TYR 186 Ca 0.71 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.55 3kym h TYR 186 Cb 2.16 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 40.48 3kym h TYR 186 CO -0.00 0.29 0.09 0.39 -1.64 0.00 0.00 178.16 177.29 3kym n GLU 187 N -4.90 0.37 0.00 1.82 1.02 -0.01 -2.18 120.64 116.76 3kym n GLU 187 Ca -0.08 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3kym n GLU 187 Cb 0.27 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 3kym n GLU 187 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kym n LYS 188 N 2.23 0.00 -4.20 3.49 5.02 -1.21 -4.99 118.16 118.49 3kym n LYS 188 Ca 0.04 -0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 56.08 3kym n LYS 188 Cb 0.18 -0.38 -0.06 0.00 -0.02 0.00 0.00 35.03 34.75 3kym n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kym s HIS 189 N 0.00 1.50 0.00 2.13 3.76 -0.93 -5.12 115.29 116.63 3kym s HIS 189 Ca 0.00 -1.53 0.00 0.00 -0.15 0.00 0.00 55.06 53.38 3kym s HIS 189 Cb 0.00 -0.45 0.00 0.00 1.11 0.00 0.00 32.58 33.24 3kym s HIS 189 CO 0.00 -1.00 0.00 1.63 -0.85 0.00 0.00 174.74 174.52 3kym n LYS 190 N -0.62 0.00 -3.37 1.40 4.76 -1.26 -5.01 118.16 114.06 3kym n LYS 190 Ca 0.05 0.07 -0.17 0.00 -2.87 0.00 0.00 58.31 55.39 3kym n LYS 190 Cb 0.62 -0.38 -0.08 0.00 -1.84 0.00 0.00 35.03 33.35 3kym n LYS 190 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kym s VAL 191 N -0.39 -0.35 0.88 -0.18 0.11 -1.26 -5.16 120.40 114.04 3kym s VAL 191 Ca 0.00 -0.83 -0.11 0.00 -2.93 0.00 0.00 61.98 58.10 3kym s VAL 191 Cb 0.00 -0.79 0.12 0.00 -1.53 0.00 0.00 36.38 34.18 3kym s VAL 191 CO 0.00 -0.55 1.09 -0.31 -3.33 0.00 0.00 175.10 172.00 3kym s TYR 192 N 1.74 2.39 -0.09 1.54 1.51 -1.26 -4.80 117.35 118.38 3kym s TYR 192 Ca 0.14 1.26 0.02 0.00 -1.01 0.00 0.00 57.07 57.48 3kym s TYR 192 Cb -0.15 -3.15 -0.02 0.00 -0.11 0.00 0.00 41.96 38.53 3kym s TYR 192 CO -0.13 -2.29 -0.14 0.00 -1.11 0.00 0.00 175.55 171.87 3kym s ALA 193 N -2.96 2.60 -0.01 3.71 0.00 -0.86 -3.89 121.76 120.35 3kym s ALA 193 Ca 0.63 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.71 3kym s ALA 193 Cb -0.17 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 3kym s ALA 193 CO 0.57 0.38 -0.18 0.00 0.00 0.00 0.00 175.76 176.53 3kym s GLU 195 N -0.99 -0.01 -0.03 0.00 2.12 -1.11 -0.52 118.70 118.16 3kym s GLU 195 Ca 0.13 0.25 0.05 0.00 0.36 0.00 0.00 54.97 55.75 3kym s GLU 195 Cb -0.10 -0.25 -0.01 0.00 0.26 0.00 0.00 34.13 34.02 3kym s GLU 195 CO 0.02 -0.18 -0.16 0.08 -0.54 0.00 0.00 175.26 174.48 3kym s VAL 196 N 1.20 1.32 0.00 3.70 1.01 -0.63 -2.09 120.40 124.91 3kym s VAL 196 Ca -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3kym s VAL 196 Cb -0.13 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.13 3kym s VAL 196 CO -0.04 0.38 0.00 0.35 0.00 0.00 0.00 175.10 175.79 3kym n THR 197 N 2.92 0.00 -1.40 3.92 -2.24 -1.05 -3.09 114.28 113.34 3kym n THR 197 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3kym n THR 197 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3kym n THR 197 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kym n HIS 198 N 0.00 0.00 0.00 4.78 8.25 -1.26 -3.79 115.22 123.20 3kym n HIS 198 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kym n HIS 198 Cb 0.00 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.62 3kym n HIS 198 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3kym n GLN 199 N 1.45 -0.38 0.00 -0.41 7.27 -1.26 -4.72 117.38 119.33 3kym n GLN 199 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3kym n GLN 199 Cb 0.00 -1.07 0.00 0.00 2.41 0.00 0.00 30.24 31.58 3kym n GLN 199 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kym n GLY 200 N 0.59 -1.92 2.83 1.69 0.00 -1.25 -4.94 105.19 102.20 3kym n GLY 200 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3kym n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kym s LEU 201 N 0.00 0.94 0.00 0.99 1.02 -1.26 -4.80 118.68 115.56 3kym s LEU 201 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.28 3kym s LEU 201 Cb 0.00 0.09 0.00 0.00 0.02 0.00 0.00 46.19 46.30 3kym s LEU 201 CO 0.00 -0.14 0.00 -1.20 0.02 0.00 0.00 176.35 175.03 3kym n SER 202 N 4.20 0.00 -4.41 2.29 7.64 -1.26 -4.31 113.62 117.77 3kym n SER 202 Ca -0.27 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.28 3kym n SER 202 Cb 0.51 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.56 3kym n SER 202 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3kym s SER 203 N -2.16 3.69 -0.68 6.43 0.01 -1.26 -5.06 113.70 114.66 3kym s SER 203 Ca 0.00 -0.30 -0.28 0.00 1.31 0.00 0.00 55.95 56.69 3kym s SER 203 Cb 0.00 -0.72 -0.13 0.00 0.21 0.00 0.00 66.02 65.38 3kym s SER 203 CO 0.00 0.33 2.51 -0.81 0.41 0.00 0.00 173.24 175.68 3kym n PRO 204 N 2.42 0.66 -2.02 12.44 -0.04 -1.26 -4.93 135.00 142.27 3kym n PRO 204 Ca -0.17 -0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 62.85 3kym n PRO 204 Cb 0.52 -2.76 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 3kym n PRO 204 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kym s VAL 205 N 11.08 3.02 -0.12 0.52 -7.23 -1.18 -4.75 120.40 121.75 3kym s VAL 205 Ca 1.11 0.65 0.01 0.00 -1.81 0.00 0.00 61.98 61.95 3kym s VAL 205 Cb -0.55 -3.42 0.02 0.00 0.56 0.00 0.00 36.38 32.99 3kym s VAL 205 CO 0.34 0.03 -0.15 0.28 -0.31 0.00 0.00 175.10 175.29 3kym s THR 206 N 1.68 1.48 -0.15 5.32 -1.32 -1.26 -1.61 115.64 119.77 3kym s THR 206 Ca 0.69 -0.62 -0.05 0.00 -1.21 0.00 0.00 61.69 60.50 3kym s THR 206 Cb -0.40 -1.37 -0.04 0.00 -1.51 0.00 0.00 72.50 69.19 3kym s THR 206 CO 0.31 0.44 0.03 -0.54 -2.21 0.00 0.00 174.62 172.64 3kym s LYS 207 N 1.11 3.68 0.00 7.08 -0.14 0.32 -4.94 119.74 126.85 3kym s LYS 207 Ca -0.04 -0.39 0.00 0.00 -1.36 0.00 0.00 55.97 54.18 3kym s LYS 207 Cb -0.14 -3.05 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 3kym s LYS 207 CO -0.04 0.37 0.13 -1.13 -0.76 0.00 0.00 175.35 173.93