#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyk n ILE 2 N 0.00 0.04 -3.84 0.53 5.41 -1.26 -4.78 119.36 115.45 3kyk n ILE 2 Ca 0.00 -0.04 -0.35 0.00 1.00 0.00 0.00 62.75 63.36 3kyk n ILE 2 Cb 0.00 -0.70 -0.09 0.00 -0.71 0.00 0.00 39.64 38.13 3kyk n ILE 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 3kyk s GLN 3 N 5.38 4.04 0.12 0.38 2.00 -1.26 -4.75 119.66 125.56 3kyk s GLN 3 Ca 1.15 -0.30 0.00 0.00 -2.00 0.00 0.00 55.36 54.21 3kyk s GLN 3 Cb -1.38 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 29.04 3kyk s GLN 3 CO 0.66 0.21 0.28 -1.64 -0.50 0.00 0.00 175.29 174.30 3kyk s MET 4 N 0.58 3.47 -0.18 1.67 -1.94 -1.26 -2.77 119.30 118.87 3kyk s MET 4 Ca 0.05 -0.43 -0.06 0.00 -1.71 0.00 0.00 55.69 53.55 3kyk s MET 4 Cb -0.12 -2.97 0.09 0.00 2.01 0.00 0.00 34.83 33.83 3kyk s MET 4 CO 0.01 0.54 0.35 -0.08 -0.01 0.00 0.00 175.02 175.83 3kyk s THR 5 N -1.64 -0.55 -0.18 2.05 -1.32 -0.92 -4.57 115.64 108.51 3kyk s THR 5 Ca 0.36 0.18 -0.08 0.00 -1.21 0.00 0.00 61.69 60.94 3kyk s THR 5 Cb -0.12 -0.60 -0.04 0.00 -1.51 0.00 0.00 72.50 70.23 3kyk s THR 5 CO 0.28 0.06 0.08 -1.10 -2.21 0.00 0.00 174.62 171.74 3kyk s GLN 6 N 2.53 3.93 0.00 7.08 -0.21 -1.26 -0.70 119.66 131.03 3kyk s GLN 6 Ca 0.01 -0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.10 3kyk s GLN 6 Cb -0.12 -3.24 0.00 0.00 1.00 0.00 0.00 33.01 30.64 3kyk s GLN 6 CO -0.11 0.35 0.81 0.45 -2.12 0.00 0.00 175.29 174.67 3kyk n SER 7 N 3.30 0.00 -0.04 5.90 2.88 -0.41 -4.11 113.62 121.14 3kyk n SER 7 Ca -0.17 0.88 -0.14 0.00 -1.33 0.00 0.00 58.87 58.11 3kyk n SER 7 Cb 0.52 -0.46 -0.09 0.00 -0.75 0.00 0.00 64.21 63.43 3kyk n SER 7 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3kyk h PRO 8 N 0.00 0.27 0.00 -1.46 0.11 -1.93 -3.48 132.00 125.52 3kyk h PRO 8 Ca 0.00 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3kyk h PRO 8 Cb 0.00 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3kyk h PRO 8 CO 0.00 0.82 0.00 0.41 -0.21 0.00 0.00 178.00 179.02 3kyk n GLY 9 N 0.58 2.50 3.40 -0.55 0.00 -1.26 -4.89 105.19 104.97 3kyk n GLY 9 Ca -0.08 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 3kyk n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kyk s THR 10 N 0.00 1.27 -0.27 2.61 -4.23 -1.26 -2.58 115.64 111.17 3kyk s THR 10 Ca 0.00 -2.05 -0.10 0.00 -1.18 0.00 0.00 61.69 58.36 3kyk s THR 10 Cb 0.00 -2.52 0.11 0.00 1.34 0.00 0.00 72.50 71.44 3kyk s THR 10 CO 0.00 -0.22 0.60 -0.22 -0.54 0.00 0.00 174.62 174.25 3kyk s LEU 11 N -3.40 -0.99 -0.29 4.79 2.96 -0.34 -4.90 118.68 116.51 3kyk s LEU 11 Ca 0.31 1.43 -0.03 0.00 -0.22 0.00 0.00 54.13 55.63 3kyk s LEU 11 Cb 0.06 2.10 0.03 0.00 0.50 0.00 0.00 46.19 48.89 3kyk s LEU 11 CO 0.12 -0.22 0.00 -0.55 -1.32 0.00 0.00 176.35 174.38 3kyk s SER 12 N 2.63 4.77 0.01 3.68 0.15 -1.26 0.13 113.70 123.82 3kyk s SER 12 Ca -0.06 -1.03 0.05 0.00 0.70 0.00 0.00 55.95 55.62 3kyk s SER 12 Cb -0.11 -1.74 -0.02 0.00 -1.71 0.00 0.00 66.02 62.44 3kyk s SER 12 CO -0.18 -0.21 -0.16 -0.76 1.20 0.00 0.00 173.24 173.13 3kyk s LEU 13 N 1.33 2.09 0.27 3.45 1.43 -0.51 -4.76 118.68 121.99 3kyk s LEU 13 Ca -0.02 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.41 3kyk s LEU 13 Cb -0.18 -0.79 -0.10 0.00 0.03 0.00 0.00 46.19 45.15 3kyk s LEU 13 CO -0.01 0.15 1.32 -0.55 0.23 0.00 0.00 176.35 177.49 3kyk s SER 14 N -0.73 6.81 0.67 2.29 0.15 -1.24 -0.43 113.70 121.22 3kyk s SER 14 Ca 0.05 2.58 -0.17 0.00 0.70 0.00 0.00 55.95 59.11 3kyk s SER 14 Cb -0.07 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 3kyk s SER 14 CO 0.00 -0.54 1.23 -2.16 1.20 0.00 0.00 173.24 172.97 3kyk s PRO 15 N -0.99 2.51 0.00 5.44 0.04 -1.25 -2.45 135.00 138.30 3kyk s PRO 15 Ca 0.53 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.43 3kyk s PRO 15 Cb -0.39 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3kyk s PRO 15 CO 0.46 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 176.33 3kyk n GLY 16 N 0.55 3.10 3.90 0.56 0.00 0.40 -4.95 105.19 108.75 3kyk n GLY 16 Ca 0.14 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 3kyk n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kyk s GLU 17 N 0.00 2.87 0.14 1.61 0.41 -1.02 -4.18 118.70 118.53 3kyk s GLU 17 Ca 0.00 0.28 -0.24 0.00 -0.41 0.00 0.00 54.97 54.61 3kyk s GLU 17 Cb 0.00 -2.11 -0.08 0.00 -1.78 0.00 0.00 34.13 30.16 3kyk s GLU 17 CO 0.00 -0.92 0.72 1.03 -0.49 0.00 0.00 175.26 175.61 3kyk s ARG 18 N -5.23 4.47 -0.05 1.61 0.52 -1.23 0.81 118.95 119.86 3kyk s ARG 18 Ca 0.57 1.05 0.06 0.00 -0.52 0.00 0.00 55.73 56.88 3kyk s ARG 18 Cb -0.11 -3.25 -0.02 0.00 0.52 0.00 0.00 34.95 32.10 3kyk s ARG 18 CO 0.49 0.59 -0.22 0.00 0.02 0.00 0.00 175.30 176.18 3kyk s ALA 19 N -1.15 2.30 -0.16 2.13 0.00 -0.63 -4.91 121.76 119.34 3kyk s ALA 19 Ca 0.34 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 3kyk s ALA 19 Cb -0.22 -0.74 0.05 0.00 0.00 0.00 0.00 23.12 22.21 3kyk s ALA 19 CO 0.24 0.47 0.05 0.99 0.00 0.00 0.00 175.76 177.51 3kyk s THR 20 N -0.37 0.30 -0.01 0.00 2.01 -1.26 -1.27 115.64 115.03 3kyk s THR 20 Ca 0.03 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 61.79 3kyk s THR 20 Cb -0.12 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 3kyk s THR 20 CO 0.02 -0.14 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.87 3kyk s LEU 21 N 1.97 2.51 0.18 4.42 1.43 -0.50 -4.95 118.68 123.74 3kyk s LEU 21 Ca 0.01 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3kyk s LEU 21 Cb -0.16 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3kyk s LEU 21 CO -0.08 0.31 0.05 -0.44 0.23 0.00 0.00 176.35 176.42 3kyk s SER 22 N -0.91 5.00 -0.20 2.29 0.01 -1.26 -1.77 113.70 116.87 3kyk s SER 22 Ca 0.12 -0.33 -0.04 0.00 1.31 0.00 0.00 55.95 57.01 3kyk s SER 22 Cb -0.10 -1.14 0.10 0.00 0.21 0.00 0.00 66.02 65.09 3kyk s SER 22 CO 0.01 0.07 0.28 0.00 0.41 0.00 0.00 173.24 174.01 3kyk s ARG 24 N 2.41 3.45 -0.00 0.00 3.52 0.12 -1.44 118.95 127.02 3kyk s ARG 24 Ca 0.08 -0.58 -0.10 0.00 -0.13 0.00 0.00 55.73 55.00 3kyk s ARG 24 Cb -0.15 -2.77 -0.05 0.00 -1.56 0.00 0.00 34.95 30.42 3kyk s ARG 24 CO -0.13 0.29 0.31 0.00 -0.81 0.00 0.00 175.30 174.96 3kyk s ALA 25 N 0.21 3.79 -0.08 6.12 0.00 0.06 -2.16 121.76 129.69 3kyk s ALA 25 Ca -0.05 -0.44 0.30 0.00 0.00 0.00 0.00 51.96 51.77 3kyk s ALA 25 Cb -0.14 -2.18 1.28 0.00 0.00 0.00 0.00 23.12 22.08 3kyk s ALA 25 CO 0.04 0.58 1.90 0.66 0.00 0.00 0.00 175.76 178.94 3kyk h SER 26 N 4.31 0.00 -4.93 0.00 4.64 -1.86 -3.45 113.55 112.26 3kyk h SER 26 Ca -0.51 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.84 3kyk h SER 26 Cb 1.21 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.18 3kyk h SER 26 CO 0.63 0.00 0.30 0.00 -0.87 0.00 0.00 176.83 176.89 3kyk s GLN 27 N -3.57 1.23 0.22 4.77 -2.07 -1.26 -4.98 119.66 113.99 3kyk s GLN 27 Ca 0.02 -0.51 -0.31 0.00 -1.82 0.00 0.00 55.36 52.74 3kyk s GLN 27 Cb 0.09 0.53 -0.11 0.00 -1.09 0.00 0.00 33.01 32.43 3kyk s GLN 27 CO 0.47 -0.54 1.63 0.45 -1.32 0.00 0.00 175.29 175.98 3kyk s SER 28 N -2.72 6.46 0.00 12.60 0.15 -1.26 -4.86 113.70 124.07 3kyk s SER 28 Ca 0.04 2.80 0.19 0.00 0.70 0.00 0.00 55.95 59.67 3kyk s SER 28 Cb -0.02 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 3kyk s SER 28 CO -0.09 -0.90 0.91 0.52 1.20 0.00 0.00 173.24 174.89 3kyk n VAL 29 N 3.50 0.00 0.00 4.45 0.31 0.85 -5.01 118.33 122.43 3kyk n VAL 29 Ca 0.13 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3kyk n VAL 29 Cb 0.37 1.17 0.00 0.00 -0.91 0.00 0.00 33.84 34.47 3kyk n VAL 29 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kyk n SER 30 N -0.41 0.00 -0.22 4.52 3.41 -1.12 -2.49 113.62 117.31 3kyk n SER 30 Ca 0.07 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.81 3kyk n SER 30 Cb 0.37 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.68 3kyk n SER 30 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kyk n SER 31 N 5.01 0.98 -4.50 4.04 3.41 -1.26 -1.54 113.62 119.76 3kyk n SER 31 Ca 0.00 -0.83 -0.43 0.00 -0.26 0.00 0.00 58.87 57.35 3kyk n SER 31 Cb 0.00 0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.09 3kyk n SER 31 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3kyk s TYR 32 N -2.56 3.11 -0.12 7.33 1.51 -1.04 -3.26 117.35 122.33 3kyk s TYR 32 Ca 0.23 -1.64 -0.04 0.00 -1.01 0.00 0.00 57.07 54.60 3kyk s TYR 32 Cb 0.19 -4.45 0.06 0.00 -0.11 0.00 0.00 41.96 37.65 3kyk s TYR 32 CO 0.54 -1.58 0.23 -1.17 -1.11 0.00 0.00 175.55 172.46 3kyk s LEU 33 N 2.89 -0.22 0.25 -1.29 2.96 -1.26 -4.29 118.68 117.73 3kyk s LEU 33 Ca 0.43 0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 54.72 3kyk s LEU 33 Cb -0.02 0.54 -0.05 0.00 0.50 0.00 0.00 46.19 47.17 3kyk s LEU 33 CO -0.03 -0.25 0.50 0.00 -1.32 0.00 0.00 176.35 175.26 3kyk s ALA 34 N 2.37 3.68 -0.06 5.97 0.00 -0.68 -0.09 121.76 132.95 3kyk s ALA 34 Ca 0.02 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3kyk s ALA 34 Cb -0.12 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.78 3kyk s ALA 34 CO -0.08 0.34 -0.06 -0.46 0.00 0.00 0.00 175.76 175.50 3kyk s TRP 35 N -1.98 0.97 0.12 0.00 -0.11 0.24 -1.63 118.94 116.55 3kyk s TRP 35 Ca 0.43 -0.32 0.09 0.00 1.22 0.00 0.00 56.10 57.52 3kyk s TRP 35 Cb -0.11 -0.81 -0.04 0.00 -1.50 0.00 0.00 33.47 31.01 3kyk s TRP 35 CO 0.28 -0.25 -0.23 0.71 -4.62 0.00 0.00 176.95 172.85 3kyk s TYR 36 N 0.99 1.99 -0.10 5.86 1.51 0.26 -0.54 117.35 127.33 3kyk s TYR 36 Ca -0.10 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 3kyk s TYR 36 Cb -0.14 -1.07 -0.01 0.00 -0.11 0.00 0.00 41.96 40.62 3kyk s TYR 36 CO -0.00 0.28 -0.19 -1.14 -1.11 0.00 0.00 175.55 173.39 3kyk s GLN 37 N -2.09 3.03 -0.33 -0.62 0.74 -0.38 0.36 119.66 120.37 3kyk s GLN 37 Ca 0.11 -0.79 0.01 0.00 0.05 0.00 0.00 55.36 54.74 3kyk s GLN 37 Cb -0.09 -2.41 0.10 0.00 1.10 0.00 0.00 33.01 31.70 3kyk s GLN 37 CO 0.05 0.28 0.09 -1.14 -0.55 0.00 0.00 175.29 174.03 3kyk s GLN 38 N 0.13 0.98 0.71 1.67 0.74 0.11 0.69 119.66 124.69 3kyk s GLN 38 Ca -0.10 -1.38 -0.11 0.00 0.05 0.00 0.00 55.36 53.83 3kyk s GLN 38 Cb -0.16 -2.39 0.01 0.00 1.10 0.00 0.00 33.01 31.58 3kyk s GLN 38 CO 0.06 -0.98 1.06 0.15 -0.55 0.00 0.00 175.29 175.03 3kyk s LYS 39 N 1.32 2.85 0.18 1.67 1.02 -1.26 -2.00 119.74 123.52 3kyk s LYS 39 Ca 0.11 0.95 0.04 0.00 0.02 0.00 0.00 55.97 57.08 3kyk s LYS 39 Cb -0.18 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 3kyk s LYS 39 CO -0.19 -1.16 0.28 -1.25 -0.92 0.00 0.00 175.35 172.11 3kyk s PRO 40 N -5.04 3.33 -0.61 -1.68 0.05 -1.26 -1.87 135.00 127.92 3kyk s PRO 40 Ca 0.58 -0.71 -0.22 0.00 0.05 0.00 0.00 61.00 60.71 3kyk s PRO 40 Cb -0.14 -2.88 0.07 0.00 0.05 0.00 0.00 34.50 31.60 3kyk s PRO 40 CO 0.55 0.49 0.87 0.20 0.05 0.00 0.00 177.00 179.16 3kyk s GLY 41 N -3.44 1.50 0.00 0.56 0.00 -1.26 -5.07 107.32 99.60 3kyk s GLY 41 Ca 0.34 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.28 3kyk s GLY 41 CO 0.28 1.90 0.00 0.61 0.00 0.00 0.00 173.10 175.89 3kyk n GLN 42 N 7.23 1.11 -3.20 2.90 10.64 -0.78 -5.13 117.38 130.15 3kyk n GLN 42 Ca -0.04 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.73 3kyk n GLN 42 Cb 0.45 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.77 3kyk n GLN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3kyk s ALA 43 N -2.00 3.55 0.15 2.61 0.00 -1.26 -4.81 121.76 120.00 3kyk s ALA 43 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 51.96 51.33 3kyk s ALA 43 Cb 0.00 -2.88 -0.15 0.00 0.00 0.00 0.00 23.12 20.09 3kyk s ALA 43 CO 0.00 -0.51 0.50 -2.30 0.00 0.00 0.00 175.76 173.45 3kyk n PRO 44 N 4.96 0.00 -4.45 0.00 -0.02 -1.26 -4.88 135.00 129.35 3kyk n PRO 44 Ca -0.03 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.11 3kyk n PRO 44 Cb 0.50 -0.91 -0.14 0.00 -0.02 0.00 0.00 33.50 32.93 3kyk n PRO 44 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kyk s ARG 45 N -0.76 3.39 0.33 -0.52 3.52 0.22 -4.93 118.95 120.20 3kyk s ARG 45 Ca 0.58 -0.66 -0.29 0.00 -0.13 0.00 0.00 55.73 55.23 3kyk s ARG 45 Cb -0.83 -2.77 -0.11 0.00 -1.56 0.00 0.00 34.95 29.68 3kyk s ARG 45 CO 0.48 0.07 1.44 -1.17 -0.81 0.00 0.00 175.30 175.32 3kyk s LEU 46 N 0.73 4.37 -0.07 -0.88 2.96 -1.26 -1.24 118.68 123.28 3kyk s LEU 46 Ca -0.04 2.86 -0.02 0.00 -0.22 0.00 0.00 54.13 56.70 3kyk s LEU 46 Cb -0.15 -3.65 -0.03 0.00 0.50 0.00 0.00 46.19 42.86 3kyk s LEU 46 CO 0.02 -0.75 -0.08 0.18 -1.32 0.00 0.00 176.35 174.40 3kyk n LEU 47 N 1.17 1.09 -3.73 -0.68 4.77 0.30 -4.87 117.00 115.04 3kyk n LEU 47 Ca 0.03 0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 3kyk n LEU 47 Cb 0.40 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.15 3kyk n LEU 47 CO 0.62 0.25 -0.18 -0.63 -1.33 0.00 0.00 177.39 176.12 3kyk s ILE 48 N -2.12 -0.07 0.16 -0.08 1.01 -1.10 -0.99 121.20 118.01 3kyk s ILE 48 Ca -0.09 0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.83 3kyk s ILE 48 Cb 0.03 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 3kyk s ILE 48 CO 0.12 0.07 -0.19 -0.72 0.00 0.00 0.00 174.94 174.22 3kyk s TYR 49 N 1.31 1.87 -1.44 3.97 -0.85 -0.26 0.80 117.35 122.75 3kyk s TYR 49 Ca -0.08 -0.45 0.00 0.00 -0.52 0.00 0.00 57.07 56.02 3kyk s TYR 49 Cb -0.11 -0.95 0.00 0.00 0.38 0.00 0.00 41.96 41.28 3kyk s TYR 49 CO -0.07 0.33 0.00 -3.47 -1.52 0.00 0.00 175.55 170.82 3kyk n ASP 50 N 0.42 -4.62 0.00 -0.18 2.03 -0.93 -2.08 116.55 111.19 3kyk n ASP 50 Ca -0.14 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.45 3kyk n ASP 50 Cb 0.56 -3.42 0.00 0.00 -0.72 0.00 0.00 41.12 37.54 3kyk n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kyk n ALA 51 N 0.77 0.00 0.11 -1.67 0.00 0.86 -4.01 120.51 116.58 3kyk n ALA 51 Ca -0.14 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.36 3kyk n ALA 51 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 3kyk n ALA 51 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kyk h SER 52 N 0.00 0.00 -3.66 0.00 0.02 -1.75 -2.95 113.55 105.21 3kyk h SER 52 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 3kyk h SER 52 Cb 0.00 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.34 3kyk h SER 52 CO 0.00 0.28 -0.49 0.21 -1.14 0.00 0.00 176.83 175.68 3kyk s ASN 53 N -5.85 5.92 -0.05 3.07 3.84 -0.88 -4.59 114.94 116.40 3kyk s ASN 53 Ca 0.01 -0.55 -0.30 0.00 0.21 0.00 0.00 52.86 52.23 3kyk s ASN 53 Cb 0.08 -2.10 -0.04 0.00 -0.55 0.00 0.00 41.25 38.64 3kyk s ASN 53 CO 0.77 -0.27 1.24 -0.60 -2.79 0.00 0.00 177.10 175.45 3kyk s ARG 54 N 1.68 4.34 0.50 0.43 3.52 -1.26 -1.11 118.95 127.05 3kyk s ARG 54 Ca 0.05 1.73 -0.21 0.00 -0.13 0.00 0.00 55.73 57.17 3kyk s ARG 54 Cb -0.18 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.56 3kyk s ARG 54 CO 0.09 -0.48 0.82 0.00 -0.81 0.00 0.00 175.30 174.93 3kyk n ALA 55 N 5.25 -0.36 -1.76 6.12 0.00 -0.16 -4.93 120.51 124.66 3kyk n ALA 55 Ca 0.11 0.11 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 3kyk n ALA 55 Cb 0.46 -1.99 0.01 0.00 0.00 0.00 0.00 19.45 17.93 3kyk n ALA 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kyk s THR 56 N -1.46 2.35 0.00 0.00 2.01 -1.26 -2.82 115.64 114.46 3kyk s THR 56 Ca 0.68 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.98 3kyk s THR 56 Cb -0.50 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 68.84 3kyk s THR 56 CO 0.54 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 3kyk n GLY 57 N 0.63 0.38 3.71 4.40 0.00 -1.26 -5.00 105.19 108.05 3kyk n GLY 57 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3kyk n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kyk s ILE 58 N -1.93 5.09 0.24 -0.61 -1.09 -1.13 -5.04 121.20 116.74 3kyk s ILE 58 Ca 0.00 1.28 -0.29 0.00 -2.23 0.00 0.00 60.65 59.42 3kyk s ILE 58 Cb 0.00 -3.97 -0.15 0.00 -1.58 0.00 0.00 42.46 36.76 3kyk s ILE 58 CO 0.00 0.27 0.89 -2.65 -1.23 0.00 0.00 174.94 172.21 3kyk n PRO 59 N 3.82 0.91 -0.12 2.79 -0.01 -1.26 -4.90 135.00 136.23 3kyk n PRO 59 Ca -0.03 0.32 0.22 0.00 -0.01 0.00 0.00 63.50 64.00 3kyk n PRO 59 Cb 0.51 -1.60 0.65 0.00 -0.01 0.00 0.00 33.50 33.05 3kyk n PRO 59 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3kyk h ALA 60 N 1.88 2.51 -0.94 3.55 0.00 -1.99 -2.99 119.26 121.28 3kyk h ALA 60 Ca -0.37 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.62 3kyk h ALA 60 Cb 1.37 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 3kyk h ALA 60 CO 0.61 -0.73 0.60 0.07 0.00 0.00 0.00 179.25 179.80 3kyk h ARG 61 N 0.13 0.97 -6.36 0.00 0.11 -1.91 -3.38 114.38 103.93 3kyk h ARG 61 Ca 0.36 -0.06 -0.54 0.00 0.10 0.00 0.00 59.98 59.84 3kyk h ARG 61 Cb 1.24 -0.22 0.01 0.00 1.11 0.00 0.00 29.97 32.11 3kyk h ARG 61 CO -0.05 0.64 1.03 -0.06 0.10 0.00 0.00 179.97 181.63 3kyk s PHE 62 N -5.90 2.21 0.13 4.08 0.40 -1.13 -2.11 117.98 115.66 3kyk s PHE 62 Ca -0.11 0.27 -0.08 0.00 -0.60 0.00 0.00 56.93 56.41 3kyk s PHE 62 Cb 0.21 -3.93 -0.01 0.00 0.51 0.00 0.00 43.02 39.79 3kyk s PHE 62 CO 0.80 -3.83 0.21 -1.54 0.70 0.00 0.00 175.22 171.56 3kyk s SER 63 N 2.85 0.12 0.25 1.36 1.04 0.29 -4.97 113.70 114.65 3kyk s SER 63 Ca 0.74 -0.84 0.06 0.00 0.48 0.00 0.00 55.95 56.39 3kyk s SER 63 Cb -0.37 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 3kyk s SER 63 CO 0.31 -0.81 -0.07 -0.83 0.98 0.00 0.00 173.24 172.83 3kyk s GLY 64 N -2.94 1.66 0.12 7.32 0.00 -1.26 0.10 107.32 112.33 3kyk s GLY 64 Ca 0.13 -1.81 -0.09 0.00 0.00 0.00 0.00 44.72 42.96 3kyk s GLY 64 CO -0.04 -1.78 0.44 -1.14 0.00 0.00 0.00 173.10 170.58 3kyk n SER 65 N -0.49 -0.91 0.00 1.64 3.41 0.98 -4.29 113.62 113.96 3kyk n SER 65 Ca -0.06 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 3kyk n SER 65 Cb 0.63 1.49 0.00 0.00 -0.26 0.00 0.00 64.21 66.07 3kyk n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kyk n GLY 66 N -0.30 0.27 3.61 5.00 0.00 -1.26 -0.00 105.19 112.51 3kyk n GLY 66 Ca -0.02 -1.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.01 3kyk n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kyk s SER 67 N -0.59 -0.07 0.00 1.61 0.15 -0.65 -4.75 113.70 109.41 3kyk s SER 67 Ca 0.00 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.63 3kyk s SER 67 Cb 0.00 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 3kyk s SER 67 CO 0.00 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3kyk n GLY 68 N -0.14 1.80 0.00 9.45 0.00 -0.59 -3.23 105.19 112.48 3kyk n GLY 68 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3kyk n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kyk n THR 69 N 0.00 0.00 -4.66 2.61 -2.24 -1.26 -0.11 114.28 108.62 3kyk n THR 69 Ca 0.00 -0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 3kyk n THR 69 Cb 0.00 1.29 -0.16 0.00 -2.10 0.00 0.00 70.33 69.36 3kyk n THR 69 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kyk s GLU 70 N -0.07 3.07 0.05 -0.78 0.41 -1.20 -0.76 118.70 119.41 3kyk s GLU 70 Ca 0.00 -0.83 0.03 0.00 -0.41 0.00 0.00 54.97 53.76 3kyk s GLU 70 Cb 0.00 -2.48 -0.02 0.00 -1.78 0.00 0.00 34.13 29.85 3kyk s GLU 70 CO 0.00 0.00 -0.09 -0.06 -0.49 0.00 0.00 175.26 174.62 3kyk s PHE 71 N 0.79 0.79 -0.04 1.61 0.40 -0.52 -1.63 117.98 119.38 3kyk s PHE 71 Ca -0.07 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 55.78 3kyk s PHE 71 Cb -0.16 -0.47 0.03 0.00 0.51 0.00 0.00 43.02 42.94 3kyk s PHE 71 CO -0.01 -0.05 0.08 0.95 0.70 0.00 0.00 175.22 176.90 3kyk s THR 72 N -1.26 -0.07 0.02 0.64 -4.23 0.99 -1.27 115.64 110.47 3kyk s THR 72 Ca -0.07 0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 60.62 3kyk s THR 72 Cb -0.09 -0.16 -0.05 0.00 1.34 0.00 0.00 72.50 73.54 3kyk s THR 72 CO 0.01 0.09 0.25 -0.22 -0.54 0.00 0.00 174.62 174.21 3kyk s LEU 73 N 1.25 4.36 -0.00 4.79 2.96 -0.73 -0.01 118.68 131.30 3kyk s LEU 73 Ca -0.08 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3kyk s LEU 73 Cb -0.12 -2.75 0.00 0.00 0.50 0.00 0.00 46.19 43.82 3kyk s LEU 73 CO -0.04 0.23 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.30 3kyk s THR 74 N -1.36 0.21 -0.38 3.68 2.01 0.28 -1.41 115.64 118.67 3kyk s THR 74 Ca 0.29 -0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.24 3kyk s THR 74 Cb -0.13 -0.19 0.11 0.00 0.01 0.00 0.00 72.50 72.30 3kyk s THR 74 CO 0.19 0.07 0.10 -0.63 -0.69 0.00 0.00 174.62 173.65 3kyk s ILE 75 N 0.02 2.31 0.14 1.82 1.01 -0.40 -0.54 121.20 125.56 3kyk s ILE 75 Ca 0.00 -2.54 -0.17 0.00 0.00 0.00 0.00 60.65 57.94 3kyk s ILE 75 Cb -0.02 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 3kyk s ILE 75 CO -0.00 -0.64 1.75 0.77 0.00 0.00 0.00 174.94 176.81 3kyk h SER 76 N 7.38 0.43 -4.12 3.58 4.64 -1.70 -1.69 113.55 122.07 3kyk h SER 76 Ca -0.05 -0.07 -0.67 0.00 -0.47 0.00 0.00 61.79 60.53 3kyk h SER 76 Cb 0.99 -0.11 -0.38 0.00 -0.31 0.00 0.00 62.40 62.59 3kyk h SER 76 CO 0.55 0.38 -0.53 -0.55 -0.87 0.00 0.00 176.83 175.81 3kyk s SER 77 N -5.62 4.80 0.57 4.97 0.15 -1.26 -3.50 113.70 113.81 3kyk s SER 77 Ca -0.13 -2.76 -0.18 0.00 0.70 0.00 0.00 55.95 53.58 3kyk s SER 77 Cb 0.10 -1.74 -0.10 0.00 -1.71 0.00 0.00 66.02 62.58 3kyk s SER 77 CO 0.73 -0.33 0.40 -0.11 1.20 0.00 0.00 173.24 175.12 3kyk n LEU 78 N 3.52 -0.07 -3.70 3.45 0.00 0.24 -4.59 117.00 115.85 3kyk n LEU 78 Ca 0.05 0.71 -0.14 0.00 0.00 0.00 0.00 56.01 56.63 3kyk n LEU 78 Cb 0.36 -1.11 -0.08 0.00 0.00 0.00 0.00 43.42 42.59 3kyk n LEU 78 CO 0.32 -3.39 0.13 -1.58 0.00 0.00 0.00 177.39 172.87 3kyk s GLN 79 N -1.92 0.75 0.30 1.96 0.74 -1.26 -0.46 119.66 119.78 3kyk s GLN 79 Ca 0.66 -0.01 0.03 0.00 0.05 0.00 0.00 55.36 56.10 3kyk s GLN 79 Cb -0.45 0.34 0.63 0.00 1.10 0.00 0.00 33.01 34.63 3kyk s GLN 79 CO 0.57 -0.21 1.85 0.66 -0.55 0.00 0.00 175.29 177.61 3kyk h SER 80 N 3.81 0.85 -1.00 6.67 4.64 -1.91 0.32 113.55 126.92 3kyk h SER 80 Ca -0.29 0.04 0.35 0.00 -0.47 0.00 0.00 61.79 61.43 3kyk h SER 80 Cb 1.17 -0.13 -0.16 0.00 -0.31 0.00 0.00 62.40 62.97 3kyk h SER 80 CO 0.38 0.45 0.56 -0.33 -0.87 0.00 0.00 176.83 177.03 3kyk h GLU 81 N 0.91 0.22 0.00 4.77 3.07 -1.91 -3.28 114.58 118.36 3kyk h GLU 81 Ca 0.48 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 3kyk h GLU 81 Cb 0.54 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3kyk h GLU 81 CO -0.24 0.15 0.00 -0.25 -1.40 0.00 0.00 179.01 177.26 3kyk n ASP 82 N -5.11 0.00 -4.67 1.42 8.00 0.11 -4.81 116.55 111.49 3kyk n ASP 82 Ca 0.34 -1.45 -0.42 0.00 0.71 0.00 0.00 54.79 53.96 3kyk n ASP 82 Cb 1.08 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.15 3kyk n ASP 82 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3kyk s PHE 83 N -2.00 2.62 -0.06 1.24 5.36 -1.24 -4.87 117.98 119.03 3kyk s PHE 83 Ca 0.13 0.73 -0.31 0.00 -0.96 0.00 0.00 56.93 56.51 3kyk s PHE 83 Cb 0.06 -3.67 0.12 0.00 -0.34 0.00 0.00 43.02 39.19 3kyk s PHE 83 CO 0.10 -2.54 1.36 0.00 -1.46 0.00 0.00 175.22 172.68 3kyk s ALA 84 N 3.20 -2.48 0.01 11.12 0.00 -1.16 -4.72 121.76 127.73 3kyk s ALA 84 Ca 0.63 0.59 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 3kyk s ALA 84 Cb -0.28 0.51 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 3kyk s ALA 84 CO 0.23 -1.10 0.37 0.14 0.00 0.00 0.00 175.76 175.41 3kyk s VAL 85 N -2.12 5.11 -0.21 0.00 -7.23 -0.85 -1.03 120.40 114.06 3kyk s VAL 85 Ca 0.20 0.65 -0.04 0.00 -1.81 0.00 0.00 61.98 60.98 3kyk s VAL 85 Cb 0.04 -3.65 -0.01 0.00 0.56 0.00 0.00 36.38 33.32 3kyk s VAL 85 CO -0.04 0.50 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.89 3kyk s TYR 86 N -1.17 2.96 -0.08 2.82 1.51 -0.10 -0.71 117.35 122.59 3kyk s TYR 86 Ca 0.25 -0.82 0.01 0.00 -1.01 0.00 0.00 57.07 55.50 3kyk s TYR 86 Cb -0.15 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.59 3kyk s TYR 86 CO 0.14 -0.46 -0.11 0.71 -1.11 0.00 0.00 175.55 174.71 3kyk s TYR 87 N 1.30 2.82 0.14 2.71 1.51 0.16 -2.21 117.35 123.77 3kyk s TYR 87 Ca 0.04 -0.21 0.05 0.00 -1.01 0.00 0.00 57.07 55.94 3kyk s TYR 87 Cb -0.14 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 3kyk s TYR 87 CO -0.02 0.14 0.08 0.00 -1.11 0.00 0.00 175.55 174.64 3kyk s GLN 89 N -2.80 0.46 -0.24 0.00 -0.44 -0.64 0.14 119.66 116.14 3kyk s GLN 89 Ca 0.29 -0.40 -0.15 0.00 -2.50 0.00 0.00 55.36 52.60 3kyk s GLN 89 Cb -0.11 0.19 -0.10 0.00 -1.64 0.00 0.00 33.01 31.36 3kyk s GLN 89 CO 0.21 -0.11 -0.35 0.94 0.50 0.00 0.00 175.29 176.48 3kyk n GLN 90 N 1.51 0.56 -2.04 1.67 0.00 0.10 -1.69 117.38 117.50 3kyk n GLN 90 Ca -0.23 0.24 -0.05 0.00 -0.00 0.00 0.00 57.00 56.97 3kyk n GLN 90 Cb 0.56 -1.46 -0.01 0.00 0.00 0.00 0.00 30.24 29.33 3kyk n GLN 90 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 3kyk n TYR 91 N -4.31 -1.44 -0.03 3.69 0.18 -1.26 -4.30 117.16 109.69 3kyk n TYR 91 Ca -0.40 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.20 3kyk n TYR 91 Cb 0.76 -1.67 -0.14 0.00 -0.38 0.00 0.00 39.34 37.91 3kyk n TYR 91 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 3kyk n ASP 92 N -0.95 1.72 -4.22 9.48 2.03 -1.26 -4.92 116.55 118.42 3kyk n ASP 92 Ca -0.06 0.18 -0.13 0.00 0.52 0.00 0.00 54.79 55.31 3kyk n ASP 92 Cb 0.42 -0.52 -0.10 0.00 -0.72 0.00 0.00 41.12 40.20 3kyk n ASP 92 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kyk s LYS 93 N -2.56 1.04 0.16 -0.67 -0.14 -1.26 -5.13 119.74 111.18 3kyk s LYS 93 Ca -0.20 -1.48 -0.18 0.00 -1.36 0.00 0.00 55.97 52.75 3kyk s LYS 93 Cb 0.07 -0.28 -0.07 0.00 -1.68 0.00 0.00 37.83 35.87 3kyk s LYS 93 CO 0.76 -0.09 0.63 -0.46 -0.76 0.00 0.00 175.35 175.43 3kyk s TRP 94 N -3.63 3.70 0.76 3.18 -0.11 -1.26 -4.31 118.94 117.27 3kyk s TRP 94 Ca 0.20 1.28 -0.12 0.00 1.22 0.00 0.00 56.10 58.68 3kyk s TRP 94 Cb 0.06 -2.52 0.05 0.00 -1.50 0.00 0.00 33.47 29.55 3kyk s TRP 94 CO 0.02 0.44 1.14 -1.25 -4.62 0.00 0.00 176.95 172.68 3kyk s PRO 95 N -1.69 2.40 0.18 5.86 0.04 -1.26 -4.91 135.00 135.62 3kyk s PRO 95 Ca 0.37 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.40 3kyk s PRO 95 Cb -0.17 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 3kyk s PRO 95 CO 0.20 -1.32 1.33 -0.51 0.04 0.00 0.00 177.00 176.74 3kyk s LEU 96 N -5.48 4.40 0.04 -3.56 1.43 -1.26 -4.77 118.68 109.48 3kyk s LEU 96 Ca 0.60 2.38 0.02 0.00 -1.03 0.00 0.00 54.13 56.11 3kyk s LEU 96 Cb -0.11 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 3kyk s LEU 96 CO 0.50 -0.56 -0.08 0.42 0.23 0.00 0.00 176.35 176.86 3kyk s THR 97 N 0.35 0.60 0.37 5.49 -4.23 -1.26 -4.98 115.64 111.98 3kyk s THR 97 Ca 0.58 -1.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.17 3kyk s THR 97 Cb -0.36 -0.63 -0.05 0.00 1.34 0.00 0.00 72.50 72.79 3kyk s THR 97 CO 0.36 -0.30 0.08 -0.36 -0.54 0.00 0.00 174.62 173.86 3kyk s PHE 98 N -1.22 2.59 0.00 3.99 0.40 -1.26 0.01 117.98 122.49 3kyk s PHE 98 Ca -0.08 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 3kyk s PHE 98 Cb -0.09 -1.67 0.00 0.00 0.51 0.00 0.00 43.02 41.77 3kyk s PHE 98 CO 0.01 0.37 0.00 0.41 0.70 0.00 0.00 175.22 176.71 3kyk n GLY 99 N -1.07 -0.63 0.06 4.36 0.00 0.37 -4.29 105.19 103.99 3kyk n GLY 99 Ca -0.03 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.37 3kyk n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kyk n GLY 100 N 5.00 -1.31 0.00 -0.02 0.00 -1.26 -4.86 105.19 102.74 3kyk n GLY 100 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3kyk n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kyk n GLY 101 N 1.31 -0.10 3.32 -0.02 0.00 -1.25 -5.01 105.19 103.43 3kyk n GLY 101 Ca 0.01 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 3kyk n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kyk s THR 102 N -1.31 2.79 -0.06 2.61 2.01 -0.94 -4.51 115.64 116.23 3kyk s THR 102 Ca 0.00 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.04 3kyk s THR 102 Cb 0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 3kyk s THR 102 CO 0.00 0.53 0.61 -0.75 -0.69 0.00 0.00 174.62 174.32 3kyk s LYS 103 N 0.47 4.38 -0.22 4.92 2.20 -1.07 -0.92 119.74 129.50 3kyk s LYS 103 Ca -0.11 0.72 -0.03 0.00 -0.36 0.00 0.00 55.97 56.19 3kyk s LYS 103 Cb -0.16 -3.41 -0.00 0.00 -1.51 0.00 0.00 37.83 32.74 3kyk s LYS 103 CO 0.05 0.18 -0.07 0.08 -0.36 0.00 0.00 175.35 175.23 3kyk s VAL 104 N 0.46 3.16 -0.09 4.02 1.01 -0.20 -1.20 120.40 127.56 3kyk s VAL 104 Ca 0.32 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3kyk s VAL 104 Cb -0.17 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3kyk s VAL 104 CO 0.16 0.43 -0.13 -1.83 0.00 0.00 0.00 175.10 173.73 3kyk s GLU 105 N 1.44 2.95 -0.76 2.72 -1.05 0.12 -2.99 118.70 121.14 3kyk s GLU 105 Ca 0.05 -0.68 -0.24 0.00 -0.15 0.00 0.00 54.97 53.96 3kyk s GLU 105 Cb -0.14 -2.52 0.06 0.00 -0.44 0.00 0.00 34.13 31.09 3kyk s GLU 105 CO -0.05 0.43 1.15 0.42 0.95 0.00 0.00 175.26 178.16 3kyk s ILE 106 N -0.22 4.12 -0.10 1.83 1.01 -1.26 -1.43 121.20 125.15 3kyk s ILE 106 Ca 0.01 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 3kyk s ILE 106 Cb -0.13 -4.82 -0.07 0.00 0.01 0.00 0.00 42.46 37.44 3kyk s ILE 106 CO 0.03 -1.66 2.09 1.17 0.00 0.00 0.00 174.94 176.57 3kyk n LYS 107 N 8.29 2.37 -3.59 2.79 4.81 0.43 -4.87 118.16 128.39 3kyk n LYS 107 Ca 0.06 0.78 -0.20 0.00 -0.87 0.00 0.00 58.31 58.08 3kyk n LYS 107 Cb 0.48 -3.08 -0.04 0.00 0.02 0.00 0.00 35.03 32.41 3kyk n LYS 107 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 3kyk n ARG 108 N 8.06 1.19 -2.40 1.64 1.85 -1.26 -3.73 116.66 122.02 3kyk n ARG 108 Ca 0.25 -2.31 -0.30 0.00 -1.00 0.00 0.00 57.85 54.48 3kyk n ARG 108 Cb 0.41 0.57 -0.01 0.00 -1.05 0.00 0.00 32.46 32.38 3kyk n ARG 108 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3kyk s THR 109 N -2.10 4.72 0.24 8.89 -4.23 -1.26 -4.91 115.64 116.99 3kyk s THR 109 Ca 0.03 0.78 -0.31 0.00 -1.18 0.00 0.00 61.69 61.00 3kyk s THR 109 Cb -0.00 -3.79 -0.13 0.00 1.34 0.00 0.00 72.50 69.91 3kyk s THR 109 CO 0.02 -0.81 1.45 0.52 -0.54 0.00 0.00 174.62 175.25 3kyk n VAL 110 N -1.98 0.86 -3.81 2.29 0.31 -1.26 -4.75 118.33 109.99 3kyk n VAL 110 Ca 0.04 -0.21 -0.24 0.00 -0.01 0.00 0.00 64.34 63.92 3kyk n VAL 110 Cb 0.54 -1.54 -0.17 0.00 -0.91 0.00 0.00 33.84 31.76 3kyk n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kyk s ALA 111 N 0.05 0.90 0.26 3.52 0.00 0.60 -4.91 121.76 122.18 3kyk s ALA 111 Ca 0.69 -0.27 -0.23 0.00 0.00 0.00 0.00 51.96 52.15 3kyk s ALA 111 Cb -0.63 -0.81 -0.09 0.00 0.00 0.00 0.00 23.12 21.59 3kyk s ALA 111 CO 0.48 -0.47 0.82 0.00 0.00 0.00 0.00 175.76 176.59 3kyk s ALA 112 N 1.89 3.33 0.12 0.00 0.00 -1.26 -0.97 121.76 124.87 3kyk s ALA 112 Ca 0.05 0.34 -0.31 0.00 0.00 0.00 0.00 51.96 52.04 3kyk s ALA 112 Cb -0.12 -2.99 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 3kyk s ALA 112 CO -0.06 0.26 1.25 -1.25 0.00 0.00 0.00 175.76 175.96 3kyk s PRO 113 N -1.93 4.42 -0.43 0.00 0.04 -1.26 -4.61 135.00 131.23 3kyk s PRO 113 Ca 0.45 1.90 -0.28 0.00 0.04 0.00 0.00 61.00 63.11 3kyk s PRO 113 Cb -0.18 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.10 3kyk s PRO 113 CO 0.23 -0.26 1.06 -1.12 0.04 0.00 0.00 177.00 176.95 3kyk s SER 114 N 0.76 6.67 -0.21 6.66 0.01 -0.58 -4.79 113.70 122.22 3kyk s SER 114 Ca 0.58 0.53 -0.15 0.00 1.31 0.00 0.00 55.95 58.22 3kyk s SER 114 Cb -0.33 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.34 3kyk s SER 114 CO 0.32 -1.10 0.38 0.68 0.41 0.00 0.00 173.24 173.93 3kyk s VAL 115 N 4.06 5.21 0.40 3.43 -7.23 -1.26 -2.22 120.40 122.80 3kyk s VAL 115 Ca 0.44 0.65 0.07 0.00 -1.81 0.00 0.00 61.98 61.34 3kyk s VAL 115 Cb -0.09 -3.71 -0.06 0.00 0.56 0.00 0.00 36.38 33.08 3kyk s VAL 115 CO 0.26 0.26 0.08 -0.36 -0.31 0.00 0.00 175.10 175.03 3kyk s PHE 116 N 1.30 2.56 -0.02 2.82 0.08 0.14 -4.96 117.98 119.91 3kyk s PHE 116 Ca 0.18 -0.60 -0.01 0.00 0.12 0.00 0.00 56.93 56.62 3kyk s PHE 116 Cb -0.15 -1.82 0.02 0.00 -0.57 0.00 0.00 43.02 40.50 3kyk s PHE 116 CO 0.08 0.34 0.04 -1.50 -0.10 0.00 0.00 175.22 174.08 3kyk s ILE 117 N -2.64 -0.02 -0.24 0.64 2.07 -1.26 -2.01 121.20 117.74 3kyk s ILE 117 Ca 0.38 0.09 0.02 0.00 -1.41 0.00 0.00 60.65 59.72 3kyk s ILE 117 Cb 0.06 -0.08 0.06 0.00 0.13 0.00 0.00 42.46 42.62 3kyk s ILE 117 CO 0.20 0.04 -0.09 -0.36 -1.91 0.00 0.00 174.94 172.82 3kyk s PHE 118 N 0.48 2.79 0.63 3.50 0.08 0.29 -5.01 117.98 120.75 3kyk s PHE 118 Ca -0.04 -1.99 -0.15 0.00 0.12 0.00 0.00 56.93 54.86 3kyk s PHE 118 Cb -0.06 -1.74 -0.01 0.00 -0.57 0.00 0.00 43.02 40.64 3kyk s PHE 118 CO -0.02 -0.82 1.10 -1.25 -0.10 0.00 0.00 175.22 174.13 3kyk s PRO 119 N 1.26 2.97 0.29 0.24 0.04 -1.26 -1.56 135.00 136.98 3kyk s PRO 119 Ca -0.07 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.36 3kyk s PRO 119 Cb -0.19 -1.97 0.72 0.00 0.04 0.00 0.00 34.50 33.09 3kyk s PRO 119 CO -0.06 -1.12 1.63 -1.35 0.04 0.00 0.00 177.00 176.15 3kyk h PRO 120 N 0.22 0.15 0.00 0.56 0.11 -1.96 -3.48 132.00 127.60 3kyk h PRO 120 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kyk h PRO 120 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kyk h PRO 120 CO 0.55 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 3kyk n SER 121 N -5.28 0.00 0.00 -2.05 3.41 -1.26 -4.44 113.62 104.00 3kyk n SER 121 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3kyk n SER 121 Cb 0.70 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 3kyk n SER 121 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kyk n ASP 122 N 0.00 0.00 -0.17 4.04 10.43 -1.26 -4.09 116.55 125.49 3kyk n ASP 122 Ca 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 54.79 57.35 3kyk n ASP 122 Cb 0.00 0.00 0.07 0.00 1.84 0.00 0.00 41.12 43.03 3kyk n ASP 122 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 3kyk h GLU 123 N 0.00 0.14 -0.40 -1.24 4.81 -1.99 1.35 114.58 117.25 3kyk h GLU 123 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3kyk h GLU 123 Cb 0.00 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3kyk h GLU 123 CO 0.00 0.09 0.11 0.37 -0.73 0.00 0.00 179.01 178.85 3kyk h GLN 124 N 0.14 0.58 -0.09 1.92 4.15 -1.78 -2.85 115.11 117.18 3kyk h GLN 124 Ca 0.27 -0.09 -0.09 0.00 0.77 0.00 0.00 58.65 59.51 3kyk h GLN 124 Cb 0.41 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3kyk h GLN 124 CO -0.43 0.52 -0.30 -0.07 -1.93 0.00 0.00 178.83 176.62 3kyk h LEU 125 N 0.57 0.42 -0.67 -2.39 3.38 -0.94 -2.79 115.31 112.89 3kyk h LEU 125 Ca 0.14 -0.61 0.07 0.00 0.09 0.00 0.00 57.88 57.56 3kyk h LEU 125 Cb 0.19 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 3kyk h LEU 125 CO -0.01 0.96 -0.37 0.29 0.09 0.00 0.00 178.44 179.40 3kyk n LYS 126 N -4.43 -0.27 -2.30 1.13 5.02 0.44 -2.45 118.16 115.30 3kyk n LYS 126 Ca -0.08 1.02 -0.43 0.00 -2.02 0.00 0.00 58.31 56.80 3kyk n LYS 126 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3kyk n LYS 126 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3kyk n SER 127 N -4.87 4.63 0.00 4.39 3.41 -1.05 -4.90 113.62 115.23 3kyk n SER 127 Ca 0.02 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 3kyk n SER 127 Cb 0.19 -1.66 0.00 0.00 -0.26 0.00 0.00 64.21 62.48 3kyk n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kyk n GLY 128 N 4.45 0.94 3.77 5.00 0.00 -1.03 -4.91 105.19 113.41 3kyk n GLY 128 Ca 0.47 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 3kyk n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kyk s THR 129 N 0.00 1.12 -0.06 2.61 -4.23 -1.25 -1.46 115.64 112.37 3kyk s THR 129 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 3kyk s THR 129 Cb 0.00 -2.13 0.03 0.00 1.34 0.00 0.00 72.50 71.74 3kyk s THR 129 CO 0.00 0.00 -0.00 0.00 -0.54 0.00 0.00 174.62 174.08 3kyk s ALA 130 N -2.89 0.61 -0.20 3.99 0.00 0.54 -3.70 121.76 120.11 3kyk s ALA 130 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 3kyk s ALA 130 Cb 0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3kyk s ALA 130 CO 0.02 -0.32 0.07 -1.12 0.00 0.00 0.00 175.76 174.41 3kyk s SER 131 N 1.64 5.53 -0.31 0.00 0.01 -1.26 -1.82 113.70 117.49 3kyk s SER 131 Ca -0.00 0.01 -0.09 0.00 1.31 0.00 0.00 55.95 57.18 3kyk s SER 131 Cb -0.13 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.14 3kyk s SER 131 CO -0.04 0.11 0.13 -0.69 0.41 0.00 0.00 173.24 173.16 3kyk s VAL 132 N 0.73 4.35 -0.06 3.43 1.01 0.40 -3.40 120.40 126.87 3kyk s VAL 132 Ca 0.04 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 3kyk s VAL 132 Cb -0.13 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 3kyk s VAL 132 CO 0.02 0.06 0.46 -0.69 0.00 0.00 0.00 175.10 174.94 3kyk s VAL 133 N 1.57 5.09 -0.21 2.92 1.01 -0.60 -0.60 120.40 129.57 3kyk s VAL 133 Ca 0.04 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.96 3kyk s VAL 133 Cb -0.17 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.46 3kyk s VAL 133 CO 0.05 0.43 -0.14 0.00 0.00 0.00 0.00 175.10 175.44 3kyk s LEU 135 N 1.26 4.23 -0.17 0.00 0.20 -0.85 -1.01 118.68 122.35 3kyk s LEU 135 Ca -0.01 0.29 -0.00 0.00 0.69 0.00 0.00 54.13 55.10 3kyk s LEU 135 Cb -0.16 -2.07 -0.00 0.00 -0.43 0.00 0.00 46.19 43.52 3kyk s LEU 135 CO -0.09 0.25 -0.14 -0.76 -0.29 0.00 0.00 176.35 175.32 3kyk s LEU 136 N -0.07 2.52 -0.12 -0.68 1.02 0.16 0.28 118.68 121.80 3kyk s LEU 136 Ca 0.10 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 53.78 3kyk s LEU 136 Cb -0.11 -1.58 0.02 0.00 0.02 0.00 0.00 46.19 44.53 3kyk s LEU 136 CO -0.00 0.07 -0.10 0.21 0.02 0.00 0.00 176.35 176.54 3kyk s ASN 137 N 0.94 2.28 -0.38 2.29 2.47 -0.94 0.22 114.94 121.82 3kyk s ASN 137 Ca -0.03 -0.36 -0.02 0.00 0.42 0.00 0.00 52.86 52.88 3kyk s ASN 137 Cb -0.15 -0.94 -0.02 0.00 -1.45 0.00 0.00 41.25 38.69 3kyk s ASN 137 CO -0.02 -0.08 0.33 0.59 -3.72 0.00 0.00 177.10 174.21 3kyk n ASN 138 N 4.72 -3.84 -4.50 -4.21 4.13 -0.95 -1.53 115.26 109.06 3kyk n ASN 138 Ca -0.15 -0.22 -0.24 0.00 1.68 0.00 0.00 54.58 55.65 3kyk n ASN 138 Cb 0.50 -2.35 -0.11 0.00 -1.54 0.00 0.00 39.78 36.28 3kyk n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3kyk s PHE 139 N -3.12 2.16 -0.23 3.10 -0.71 -0.63 -4.54 117.98 114.02 3kyk s PHE 139 Ca 0.14 -0.80 -0.18 0.00 -1.04 0.00 0.00 56.93 55.06 3kyk s PHE 139 Cb -0.02 -1.41 0.06 0.00 -1.21 0.00 0.00 43.02 40.44 3kyk s PHE 139 CO 0.28 0.23 0.59 -0.47 -1.34 0.00 0.00 175.22 174.50 3kyk s TYR 140 N -3.03 -0.73 0.11 3.49 5.04 -0.14 -0.27 117.35 121.82 3kyk s TYR 140 Ca 0.35 1.66 -0.00 0.00 -2.44 0.00 0.00 57.07 56.63 3kyk s TYR 140 Cb 0.08 0.32 0.02 0.00 0.35 0.00 0.00 41.96 42.73 3kyk s TYR 140 CO 0.16 -0.36 0.15 -0.35 -1.34 0.00 0.00 175.55 173.80 3kyk n PRO 141 N 3.31 0.46 0.15 4.97 -0.05 -1.26 -0.29 135.00 142.29 3kyk n PRO 141 Ca -0.16 -0.38 0.02 0.00 -0.05 0.00 0.00 63.50 62.92 3kyk n PRO 141 Cb 0.56 -0.10 0.13 0.00 -0.05 0.00 0.00 33.50 34.04 3kyk n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 175.50 175.36 3kyk h ARG 142 N 0.00 0.00 -6.72 0.54 2.43 -1.99 -3.45 114.38 105.19 3kyk h ARG 142 Ca -0.05 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.60 3kyk h ARG 142 Cb 0.18 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 29.77 3kyk h ARG 142 CO 0.05 0.53 0.70 -1.21 -1.51 0.00 0.00 179.97 178.53 3kyk s GLU 143 N -3.21 4.33 -0.25 0.20 2.02 -1.26 -5.00 118.70 115.53 3kyk s GLU 143 Ca 0.02 2.18 -0.11 0.00 0.02 0.00 0.00 54.97 57.08 3kyk s GLU 143 Cb 0.09 -3.15 0.10 0.00 0.10 0.00 0.00 34.13 31.27 3kyk s GLU 143 CO 0.73 -0.33 0.58 0.00 0.02 0.00 0.00 175.26 176.27 3kyk s ALA 144 N -0.02 -1.67 0.50 5.21 0.00 -1.26 -4.64 121.76 119.87 3kyk s ALA 144 Ca 0.57 2.08 -0.19 0.00 0.00 0.00 0.00 51.96 54.42 3kyk s ALA 144 Cb -0.39 -1.46 -0.08 0.00 0.00 0.00 0.00 23.12 21.19 3kyk s ALA 144 CO 0.41 -0.64 1.03 0.21 0.00 0.00 0.00 175.76 176.78 3kyk s LYS 145 N 2.25 3.76 -0.23 0.00 2.47 -0.56 -4.95 119.74 122.47 3kyk s LYS 145 Ca -0.07 1.31 -0.03 0.00 -1.56 0.00 0.00 55.97 55.62 3kyk s LYS 145 Cb -0.09 -2.09 0.11 0.00 -1.46 0.00 0.00 37.83 34.30 3kyk s LYS 145 CO -0.17 -0.46 0.26 0.08 0.16 0.00 0.00 175.35 175.22 3kyk s VAL 146 N -2.09 -0.38 0.11 4.02 1.01 -1.26 -2.77 120.40 119.04 3kyk s VAL 146 Ca 0.66 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.45 3kyk s VAL 146 Cb -0.16 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3kyk s VAL 146 CO 0.22 -0.27 0.13 -1.10 0.00 0.00 0.00 175.10 174.09 3kyk s GLN 147 N 2.36 3.02 0.05 2.72 1.11 -0.46 -4.94 119.66 123.52 3kyk s GLN 147 Ca 0.08 -0.70 0.01 0.00 0.01 0.00 0.00 55.36 54.76 3kyk s GLN 147 Cb -0.15 -2.77 -0.04 0.00 -1.01 0.00 0.00 33.01 29.04 3kyk s GLN 147 CO -0.19 0.54 0.14 -1.58 0.01 0.00 0.00 175.29 174.22 3kyk s TRP 148 N -1.54 3.37 0.04 0.91 0.52 -1.26 -0.30 118.94 120.67 3kyk s TRP 148 Ca 0.31 0.20 0.01 0.00 0.02 0.00 0.00 56.10 56.63 3kyk s TRP 148 Cb -0.12 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 3kyk s TRP 148 CO 0.24 0.57 -0.05 0.15 0.02 0.00 0.00 176.95 177.88 3kyk s LYS 149 N -2.26 0.45 -0.24 4.98 1.02 -0.64 -1.58 119.74 121.47 3kyk s LYS 149 Ca 0.30 -0.78 -0.03 0.00 0.02 0.00 0.00 55.97 55.47 3kyk s LYS 149 Cb -0.12 -0.01 0.10 0.00 -0.52 0.00 0.00 37.83 37.27 3kyk s LYS 149 CO 0.22 -0.03 0.20 0.08 -0.92 0.00 0.00 175.35 174.90 3kyk s VAL 150 N -1.91 -0.25 -1.11 3.17 1.01 -0.96 -2.04 120.40 118.30 3kyk s VAL 150 Ca -0.09 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 3kyk s VAL 150 Cb -0.07 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3kyk s VAL 150 CO -0.02 -0.40 0.87 0.47 0.00 0.00 0.00 175.10 176.02 3kyk n ASP 151 N 5.30 -5.40 0.00 3.32 8.00 0.37 -1.91 116.55 126.22 3kyk n ASP 151 Ca -0.05 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.64 3kyk n ASP 151 Cb 0.47 -4.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.03 3kyk n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kyk n ASN 152 N -3.04 -3.52 -4.66 -2.24 3.02 -1.26 -4.94 115.26 98.62 3kyk n ASN 152 Ca -0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.02 3kyk n ASN 152 Cb 0.62 -2.48 -0.04 0.00 -0.61 0.00 0.00 39.78 37.27 3kyk n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kyk s ALA 153 N -0.71 3.61 -0.07 5.41 0.00 -0.81 -5.02 121.76 124.17 3kyk s ALA 153 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 3kyk s ALA 153 Cb 0.00 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 3kyk s ALA 153 CO 0.00 -0.86 1.67 -1.17 0.00 0.00 0.00 175.76 175.40 3kyk s LEU 154 N 2.69 4.26 0.16 0.00 1.98 -1.26 -2.27 118.68 124.24 3kyk s LEU 154 Ca 0.39 2.18 -0.22 0.00 -2.89 0.00 0.00 54.13 53.59 3kyk s LEU 154 Cb -0.16 -3.53 -0.08 0.00 0.66 0.00 0.00 46.19 43.08 3kyk s LEU 154 CO 0.09 -0.98 0.71 -1.10 -1.89 0.00 0.00 176.35 173.18 3kyk s GLN 155 N 4.16 4.38 -0.14 1.98 -1.52 -0.61 -4.92 119.66 122.99 3kyk s GLN 155 Ca 0.74 0.96 0.16 0.00 -1.95 0.00 0.00 55.36 55.27 3kyk s GLN 155 Cb -0.33 -3.13 0.41 0.00 -0.22 0.00 0.00 33.01 29.74 3kyk s GLN 155 CO 0.30 0.53 1.20 0.45 -0.25 0.00 0.00 175.29 177.52 3kyk n SER 156 N 1.34 1.49 -3.22 5.90 2.88 -1.26 -4.71 113.62 116.05 3kyk n SER 156 Ca -0.06 -3.26 -0.01 0.00 -1.33 0.00 0.00 58.87 54.22 3kyk n SER 156 Cb 0.50 -0.45 -0.03 0.00 -0.75 0.00 0.00 64.21 63.48 3kyk n SER 156 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3kyk s GLY 157 N -2.80 -0.83 -0.24 0.46 0.00 -1.26 -4.88 107.32 97.78 3kyk s GLY 157 Ca 0.36 1.42 -0.08 0.00 0.00 0.00 0.00 44.72 46.42 3kyk s GLY 157 CO -0.09 3.18 0.50 -1.31 0.00 0.00 0.00 173.10 175.38 3kyk s ASN 158 N 2.75 -0.58 0.29 1.64 -0.87 -1.25 -4.86 114.94 112.05 3kyk s ASN 158 Ca 0.17 1.20 0.06 0.00 -1.57 0.00 0.00 52.86 52.72 3kyk s ASN 158 Cb -0.15 1.70 -0.02 0.00 -0.02 0.00 0.00 41.25 42.77 3kyk s ASN 158 CO -0.20 -0.23 0.39 -0.94 -2.57 0.00 0.00 177.10 173.55 3kyk s SER 159 N 2.72 6.02 -0.06 -1.22 1.04 -1.26 -2.52 113.70 118.41 3kyk s SER 159 Ca -0.03 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.26 3kyk s SER 159 Cb -0.12 -1.48 0.03 0.00 0.10 0.00 0.00 66.02 64.56 3kyk s SER 159 CO -0.15 -0.25 0.04 -1.10 0.98 0.00 0.00 173.24 172.77 3kyk s GLN 160 N -4.05 0.14 0.63 4.02 -0.21 -1.22 -4.95 119.66 114.02 3kyk s GLN 160 Ca 0.39 0.25 -0.08 0.00 0.02 0.00 0.00 55.36 55.94 3kyk s GLN 160 Cb -0.09 -0.77 0.01 0.00 1.00 0.00 0.00 33.01 33.16 3kyk s GLN 160 CO 0.29 -0.35 0.97 -1.21 -2.12 0.00 0.00 175.29 172.87 3kyk s GLU 161 N 2.10 2.92 -0.21 2.91 2.02 -1.26 -2.99 118.70 124.19 3kyk s GLU 161 Ca 0.05 0.18 -0.13 0.00 0.02 0.00 0.00 54.97 55.09 3kyk s GLU 161 Cb -0.12 -2.18 0.06 0.00 0.10 0.00 0.00 34.13 31.99 3kyk s GLU 161 CO -0.04 -0.81 0.51 0.45 0.02 0.00 0.00 175.26 175.38 3kyk s SER 162 N -4.32 -0.64 0.04 -0.19 0.15 -0.90 -4.98 113.70 102.85 3kyk s SER 162 Ca 0.55 1.10 0.04 0.00 0.70 0.00 0.00 55.95 58.34 3kyk s SER 162 Cb -0.11 1.00 -0.04 0.00 -1.71 0.00 0.00 66.02 65.17 3kyk s SER 162 CO 0.48 -0.20 -0.07 0.68 1.20 0.00 0.00 173.24 175.33 3kyk s VAL 163 N 1.24 3.64 1.02 4.45 -7.23 -1.26 -1.46 120.40 120.80 3kyk s VAL 163 Ca -0.08 -0.91 -0.17 0.00 -1.81 0.00 0.00 61.98 59.01 3kyk s VAL 163 Cb -0.06 -2.63 0.25 0.00 0.56 0.00 0.00 36.38 34.50 3kyk s VAL 163 CO -0.12 0.30 1.02 0.35 -0.31 0.00 0.00 175.10 176.34 3kyk n THR 164 N 1.25 0.00 -3.31 5.32 -2.24 -0.54 -5.00 114.28 109.76 3kyk n THR 164 Ca -0.14 -0.55 -0.30 0.00 -2.27 0.00 0.00 64.05 60.79 3kyk n THR 164 Cb 0.52 -1.32 -0.04 0.00 -2.10 0.00 0.00 70.33 67.40 3kyk n THR 164 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kyk s GLU 165 N -5.30 3.70 0.25 -0.78 0.41 -1.26 -4.76 118.70 110.97 3kyk s GLU 165 Ca 0.64 0.14 -0.31 0.00 -0.41 0.00 0.00 54.97 55.03 3kyk s GLU 165 Cb -0.05 -2.62 -0.14 0.00 -1.78 0.00 0.00 34.13 29.55 3kyk s GLU 165 CO 0.48 0.22 1.32 0.94 -0.49 0.00 0.00 175.26 177.73 3kyk n GLN 166 N -0.73 1.89 -1.90 1.61 7.27 -1.26 -4.82 117.38 119.43 3kyk n GLN 166 Ca -0.01 0.67 -0.42 0.00 0.07 0.00 0.00 57.00 57.31 3kyk n GLN 166 Cb 0.53 -2.27 -0.03 0.00 2.41 0.00 0.00 30.24 30.88 3kyk n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3kyk s ASP 167 N 0.08 6.56 0.48 1.69 -1.08 -0.78 -4.88 116.67 118.74 3kyk s ASP 167 Ca 0.66 2.61 0.18 0.00 -0.52 0.00 0.00 52.55 55.48 3kyk s ASP 167 Cb -0.66 -2.58 1.19 0.00 -1.46 0.00 0.00 42.92 39.40 3kyk s ASP 167 CO 0.53 -0.87 2.05 0.77 0.52 0.00 0.00 175.17 178.17 3kyk h SER 168 N 7.36 0.00 0.00 -0.34 4.64 -1.89 -1.39 113.55 121.93 3kyk h SER 168 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3kyk h SER 168 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3kyk h SER 168 CO 0.92 0.13 0.00 0.29 -0.87 0.00 0.00 176.83 177.31 3kyk n LYS 169 N -4.18 0.00 -0.68 4.77 5.02 -1.26 -3.69 118.16 118.14 3kyk n LYS 169 Ca -0.02 0.08 0.09 0.00 -2.02 0.00 0.00 58.31 56.44 3kyk n LYS 169 Cb 0.21 -0.71 0.37 0.00 -0.02 0.00 0.00 35.03 34.88 3kyk n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3kyk n ASP 170 N -0.74 4.98 -0.39 4.39 5.68 -1.26 -4.91 116.55 124.29 3kyk n ASP 170 Ca 0.00 -2.57 -0.04 0.00 -0.50 0.00 0.00 54.79 51.68 3kyk n ASP 170 Cb 0.00 -0.60 -0.02 0.00 -1.14 0.00 0.00 41.12 39.36 3kyk n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3kyk n SER 171 N 0.98 -4.06 -4.91 -1.12 7.64 -0.52 -4.92 113.62 106.71 3kyk n SER 171 Ca 0.26 0.10 -0.27 0.00 1.01 0.00 0.00 58.87 59.97 3kyk n SER 171 Cb 0.96 -2.84 0.01 0.00 -1.01 0.00 0.00 64.21 61.33 3kyk n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3kyk s THR 172 N -1.12 4.52 0.24 0.44 -4.23 -1.26 -4.44 115.64 109.80 3kyk s THR 172 Ca 0.00 0.10 0.11 0.00 -1.18 0.00 0.00 61.69 60.72 3kyk s THR 172 Cb 0.00 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 70.06 3kyk s THR 172 CO 0.00 -0.72 -0.13 -0.31 -0.54 0.00 0.00 174.62 172.92 3kyk s TYR 173 N -2.79 2.48 0.14 3.99 2.02 0.63 -1.87 117.35 121.95 3kyk s TYR 173 Ca 0.49 -0.28 0.09 0.00 -0.37 0.00 0.00 57.07 57.00 3kyk s TYR 173 Cb -0.10 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.28 3kyk s TYR 173 CO 0.44 0.61 -0.21 -1.12 -1.57 0.00 0.00 175.55 173.70 3kyk s SER 174 N -3.25 2.82 0.09 2.29 0.01 -1.26 -1.60 113.70 112.80 3kyk s SER 174 Ca 0.28 -0.79 0.03 0.00 1.31 0.00 0.00 55.95 56.78 3kyk s SER 174 Cb -0.07 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 3kyk s SER 174 CO 0.15 0.04 -0.09 -0.22 0.41 0.00 0.00 173.24 173.53 3kyk s LEU 175 N -2.35 2.40 -0.10 2.44 0.20 0.13 -1.47 118.68 119.94 3kyk s LEU 175 Ca 0.13 -0.81 -0.04 0.00 0.69 0.00 0.00 54.13 54.10 3kyk s LEU 175 Cb -0.08 -0.26 0.05 0.00 -0.43 0.00 0.00 46.19 45.48 3kyk s LEU 175 CO 0.06 -0.28 0.19 -0.94 -0.29 0.00 0.00 176.35 175.09 3kyk s SER 176 N -2.44 0.69 0.29 3.68 1.04 -0.53 0.39 113.70 116.82 3kyk s SER 176 Ca 0.05 0.37 -0.08 0.00 0.48 0.00 0.00 55.95 56.77 3kyk s SER 176 Cb -0.02 0.39 -0.06 0.00 0.10 0.00 0.00 66.02 66.42 3kyk s SER 176 CO -0.01 -0.25 0.60 -0.44 0.98 0.00 0.00 173.24 174.12 3kyk s SER 177 N 2.33 6.53 -0.30 7.02 0.01 -0.18 -2.12 113.70 126.99 3kyk s SER 177 Ca 0.03 0.87 -0.02 0.00 1.31 0.00 0.00 55.95 58.14 3kyk s SER 177 Cb -0.12 -2.21 0.10 0.00 0.21 0.00 0.00 66.02 64.00 3kyk s SER 177 CO -0.07 -0.19 0.11 -0.89 0.41 0.00 0.00 173.24 172.60 3kyk s THR 178 N -2.05 0.53 0.01 1.44 2.01 -1.16 -0.21 115.64 116.21 3kyk s THR 178 Ca 0.47 -1.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 3kyk s THR 178 Cb -0.11 -1.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.95 3kyk s THR 178 CO 0.27 -0.67 1.40 -0.22 -0.69 0.00 0.00 174.62 174.71 3kyk s LEU 179 N 1.80 4.32 -0.20 4.42 2.96 0.23 -3.41 118.68 128.79 3kyk s LEU 179 Ca 0.09 2.14 0.01 0.00 -0.22 0.00 0.00 54.13 56.14 3kyk s LEU 179 Cb -0.17 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.01 3kyk s LEU 179 CO -0.28 -0.72 -0.08 0.28 -1.32 0.00 0.00 176.35 174.23 3kyk s THR 180 N 2.30 1.51 0.12 3.68 -1.32 -1.05 -0.45 115.64 120.44 3kyk s THR 180 Ca 0.64 -0.97 0.06 0.00 -1.21 0.00 0.00 61.69 60.21 3kyk s THR 180 Cb -0.32 -1.64 -0.04 0.00 -1.51 0.00 0.00 72.50 68.99 3kyk s THR 180 CO 0.27 0.11 -0.14 -1.48 -2.21 0.00 0.00 174.62 171.18 3kyk s LEU 181 N 1.44 2.41 0.66 9.08 2.34 -0.76 -3.95 118.68 129.91 3kyk s LEU 181 Ca -0.02 -0.82 -0.17 0.00 0.06 0.00 0.00 54.13 53.18 3kyk s LEU 181 Cb -0.16 -0.52 -0.01 0.00 -0.56 0.00 0.00 46.19 44.93 3kyk s LEU 181 CO -0.08 -0.16 1.15 -1.54 -1.06 0.00 0.00 176.35 174.66 3kyk n SER 182 N 0.50 1.41 -0.35 1.48 3.41 -1.26 -0.34 113.62 118.46 3kyk n SER 182 Ca -0.15 0.78 -0.01 0.00 -0.26 0.00 0.00 58.87 59.23 3kyk n SER 182 Cb 0.57 -1.49 0.12 0.00 -0.26 0.00 0.00 64.21 63.16 3kyk n SER 182 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3kyk h LYS 183 N 0.30 1.19 -0.65 4.33 3.64 -1.49 -1.10 116.57 122.78 3kyk h LYS 183 Ca -0.49 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 58.87 3kyk h LYS 183 Cb 1.34 -0.27 -0.08 0.00 -0.41 0.00 0.00 32.23 32.82 3kyk h LYS 183 CO 0.51 0.78 -0.39 0.00 -2.27 0.00 0.00 179.45 178.09 3kyk h ALA 184 N 1.38 -0.37 -0.50 5.00 0.00 -1.91 -2.31 119.26 120.55 3kyk h ALA 184 Ca 0.37 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.31 3kyk h ALA 184 Cb -0.03 1.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3kyk h ALA 184 CO -0.11 -0.64 0.11 -0.44 0.00 0.00 0.00 179.25 178.17 3kyk h ASP 185 N -0.01 0.72 -0.56 0.00 3.32 -1.77 -3.06 116.42 115.05 3kyk h ASP 185 Ca 0.10 -0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.11 3kyk h ASP 185 Cb 0.27 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3kyk h ASP 185 CO -0.62 0.71 0.38 0.22 -1.72 0.00 0.00 179.24 178.21 3kyk h TYR 186 N 0.74 0.47 0.00 4.55 3.20 -0.69 0.22 116.97 125.46 3kyk h TYR 186 Ca 0.16 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3kyk h TYR 186 Cb 0.29 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3kyk h TYR 186 CO 0.02 0.24 0.00 0.39 -1.64 0.00 0.00 178.16 177.17 3kyk n GLU 187 N -4.47 0.07 0.00 1.82 -0.58 -0.96 -3.70 120.64 112.82 3kyk n GLU 187 Ca 0.08 0.08 0.16 0.00 -0.42 0.00 0.00 57.16 57.06 3kyk n GLU 187 Cb 0.30 -1.59 0.87 0.00 -0.57 0.00 0.00 31.44 30.45 3kyk n GLU 187 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3kyk n LYS 188 N -1.71 1.06 -3.78 3.49 4.01 0.06 -4.86 118.16 116.43 3kyk n LYS 188 Ca 0.06 -0.14 -0.13 0.00 -0.51 0.00 0.00 58.31 57.59 3kyk n LYS 188 Cb 0.35 -1.50 -0.10 0.00 -0.51 0.00 0.00 35.03 33.28 3kyk n LYS 188 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 3kyk s HIS 189 N -2.04 -0.18 -0.24 2.13 3.76 -1.24 -5.08 115.29 112.40 3kyk s HIS 189 Ca 0.45 0.34 -0.18 0.00 -0.15 0.00 0.00 55.06 55.53 3kyk s HIS 189 Cb 0.22 0.07 -0.15 0.00 1.11 0.00 0.00 32.58 33.83 3kyk s HIS 189 CO 0.37 -0.30 -0.09 1.63 -0.85 0.00 0.00 174.74 175.50 3kyk n LYS 190 N 1.78 0.58 -4.94 1.40 5.02 -1.26 -4.58 118.16 116.15 3kyk n LYS 190 Ca -0.19 0.41 -0.33 0.00 -2.02 0.00 0.00 58.31 56.18 3kyk n LYS 190 Cb 0.56 -1.61 -0.15 0.00 -0.02 0.00 0.00 35.03 33.81 3kyk n LYS 190 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kyk s VAL 191 N -2.44 2.70 -0.50 -0.18 1.01 -1.26 -0.52 120.40 119.21 3kyk s VAL 191 Ca -0.34 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 60.80 3kyk s VAL 191 Cb 0.11 -2.10 0.13 0.00 0.00 0.00 0.00 36.38 34.52 3kyk s VAL 191 CO 0.53 0.54 0.32 -0.31 0.00 0.00 0.00 175.10 176.18 3kyk s TYR 192 N 0.29 3.51 -0.05 5.22 2.02 0.21 -0.48 117.35 128.07 3kyk s TYR 192 Ca -0.13 -2.40 -0.02 0.00 -0.37 0.00 0.00 57.07 54.15 3kyk s TYR 192 Cb -0.16 -3.28 -0.04 0.00 -0.40 0.00 0.00 41.96 38.07 3kyk s TYR 192 CO 0.07 -0.94 0.08 0.00 -1.57 0.00 0.00 175.55 173.18 3kyk s ALA 193 N 0.78 3.58 -0.05 3.71 0.00 -0.87 -2.88 121.76 126.03 3kyk s ALA 193 Ca 0.11 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3kyk s ALA 193 Cb -0.22 -1.64 -0.00 0.00 0.00 0.00 0.00 23.12 21.25 3kyk s ALA 193 CO -0.03 0.65 -0.18 0.00 0.00 0.00 0.00 175.76 176.20 3kyk s GLU 195 N 0.16 2.93 -0.17 0.00 2.12 0.59 -1.44 118.70 122.90 3kyk s GLU 195 Ca -0.07 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.41 3kyk s GLU 195 Cb -0.13 -2.25 -0.01 0.00 0.26 0.00 0.00 34.13 32.01 3kyk s GLU 195 CO 0.03 0.14 -0.11 0.08 -0.54 0.00 0.00 175.26 174.86 3kyk s VAL 196 N 0.44 3.02 -0.17 3.70 1.01 0.50 -1.35 120.40 127.55 3kyk s VAL 196 Ca -0.17 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 3kyk s VAL 196 Cb -0.17 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3kyk s VAL 196 CO 0.07 0.49 0.08 -0.89 0.00 0.00 0.00 175.10 174.85 3kyk s THR 197 N 0.88 4.95 -0.19 3.92 2.01 -1.11 -1.73 115.64 124.37 3kyk s THR 197 Ca -0.03 0.02 -0.23 0.00 0.31 0.00 0.00 61.69 61.76 3kyk s THR 197 Cb -0.15 -3.21 0.06 0.00 0.01 0.00 0.00 72.50 69.21 3kyk s THR 197 CO -0.00 0.49 0.63 -2.28 -0.69 0.00 0.00 174.62 172.77 3kyk s HIS 198 N 0.05 -0.66 0.49 4.92 2.46 -1.26 -1.50 115.29 119.79 3kyk s HIS 198 Ca 0.06 1.53 0.19 0.00 0.47 0.00 0.00 55.06 57.32 3kyk s HIS 198 Cb -0.12 0.26 1.24 0.00 -0.13 0.00 0.00 32.58 33.83 3kyk s HIS 198 CO 0.00 -0.38 2.02 1.96 -2.47 0.00 0.00 174.74 175.87 3kyk h GLN 199 N 4.71 0.15 0.00 2.88 4.20 -1.93 -0.89 115.11 124.23 3kyk h GLN 199 Ca -0.28 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3kyk h GLN 199 Cb 1.16 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3kyk h GLN 199 CO 0.17 0.10 0.00 0.41 -0.67 0.00 0.00 178.83 178.84 3kyk n GLY 200 N -1.58 -0.94 3.76 3.46 0.00 -1.26 -4.77 105.19 103.85 3kyk n GLY 200 Ca 0.07 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3kyk n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kyk s LEU 201 N -2.01 3.98 0.37 0.99 1.02 -0.34 -4.44 118.68 118.25 3kyk s LEU 201 Ca 0.45 0.27 0.08 0.00 0.02 0.00 0.00 54.13 54.94 3kyk s LEU 201 Cb 0.21 -1.96 0.74 0.00 0.02 0.00 0.00 46.19 45.20 3kyk s LEU 201 CO 0.35 0.34 1.91 0.28 0.02 0.00 0.00 176.35 179.26 3kyk h SER 202 N 5.44 0.32 -5.27 2.29 0.02 -1.86 -3.46 113.55 111.04 3kyk h SER 202 Ca -0.49 -0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.24 3kyk h SER 202 Cb 1.20 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 3kyk h SER 202 CO 0.60 0.43 0.06 -0.94 -1.14 0.00 0.00 176.83 175.83 3kyk s SER 203 N -6.83 0.52 0.84 3.07 1.04 -1.26 -5.14 113.70 105.94 3kyk s SER 203 Ca -0.06 -1.36 -0.12 0.00 0.48 0.00 0.00 55.95 54.88 3kyk s SER 203 Cb 0.16 0.78 0.12 0.00 0.10 0.00 0.00 66.02 67.17 3kyk s SER 203 CO 0.74 -1.53 1.20 -2.84 0.98 0.00 0.00 173.24 171.79 3kyk s PRO 204 N -2.53 1.58 -0.04 4.02 0.02 -1.26 -4.82 135.00 131.98 3kyk s PRO 204 Ca 0.23 -0.12 0.00 0.00 0.02 0.00 0.00 61.00 61.13 3kyk s PRO 204 Cb -0.03 -1.95 0.03 0.00 0.02 0.00 0.00 34.50 32.56 3kyk s PRO 204 CO 0.17 -1.80 -0.00 0.08 -0.33 0.00 0.00 177.00 175.11 3kyk s VAL 205 N -3.62 0.23 0.10 3.83 1.01 -0.71 -4.96 120.40 116.27 3kyk s VAL 205 Ca 0.65 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.76 3kyk s VAL 205 Cb -0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 3kyk s VAL 205 CO 0.50 0.17 0.07 -0.89 0.00 0.00 0.00 175.10 174.94 3kyk s THR 206 N 1.19 4.37 -0.06 3.92 2.01 -1.26 -0.37 115.64 125.44 3kyk s THR 206 Ca -0.07 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 3kyk s THR 206 Cb -0.13 -3.13 0.02 0.00 0.01 0.00 0.00 72.50 69.27 3kyk s THR 206 CO -0.02 0.08 -0.03 -0.75 -0.69 0.00 0.00 174.62 173.21 3kyk s LYS 207 N -2.51 0.81 0.34 4.92 2.47 -0.52 -4.99 119.74 120.26 3kyk s LYS 207 Ca 0.29 -0.04 0.04 0.00 -1.56 0.00 0.00 55.97 54.70 3kyk s LYS 207 Cb -0.12 -0.96 -0.03 0.00 -1.46 0.00 0.00 37.83 35.26 3kyk s LYS 207 CO 0.21 -0.18 0.18 -1.54 0.16 0.00 0.00 175.35 174.18 3kyk s SER 208 N 1.39 1.92 0.11 1.43 1.04 -1.26 -1.51 113.70 116.82 3kyk s SER 208 Ca -0.03 -1.65 -0.25 0.00 0.48 0.00 0.00 55.95 54.50 3kyk s SER 208 Cb -0.13 0.47 0.08 0.00 0.10 0.00 0.00 66.02 66.53 3kyk s SER 208 CO -0.03 -0.95 0.80 0.72 0.98 0.00 0.00 173.24 174.77 3kyk s PHE 209 N -3.46 -0.34 0.04 5.02 -0.12 -1.14 -5.00 117.98 112.99 3kyk s PHE 209 Ca 0.34 0.11 0.05 0.00 -0.05 0.00 0.00 56.93 57.38 3kyk s PHE 209 Cb 0.04 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.98 3kyk s PHE 209 CO 0.19 -0.77 -0.12 -0.80 -0.05 0.00 0.00 175.22 173.67 3kyk s ASN 210 N -2.71 4.25 0.00 1.98 -0.87 -1.26 -0.62 114.94 115.71 3kyk s ASN 210 Ca 0.06 -0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.05 3kyk s ASN 210 Cb -0.02 -0.85 0.00 0.00 -0.02 0.00 0.00 41.25 40.37 3kyk s ASN 210 CO -0.06 0.25 0.00 0.54 -2.57 0.00 0.00 177.10 175.26