#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yek s MET 2 N 0.00 4.57 -0.15 3.44 -1.94 -1.26 -3.91 119.30 120.06 1yek s MET 2 Ca 0.00 1.88 -0.07 0.00 -1.71 0.00 0.00 55.69 55.79 1yek s MET 2 Cb 0.00 -3.19 0.06 0.00 2.01 0.00 0.00 34.83 33.71 1yek s MET 2 CO 0.00 0.09 0.33 -0.65 -0.01 0.00 0.00 175.02 174.78 1yek s GLN 3 N -1.21 0.28 -0.24 2.03 -0.21 -0.70 -4.98 119.66 114.63 1yek s GLN 3 Ca 0.47 0.74 -0.02 0.00 0.02 0.00 0.00 55.36 56.56 1yek s GLN 3 Cb -0.33 -0.01 0.02 0.00 1.00 0.00 0.00 33.01 33.69 1yek s GLN 3 CO 0.42 -0.20 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.83 1yek s LEU 4 N 1.72 3.15 -0.25 2.90 1.02 -1.26 -0.83 118.68 125.14 1yek s LEU 4 Ca -0.06 -0.76 -0.05 0.00 0.02 0.00 0.00 54.13 53.27 1yek s LEU 4 Cb -0.10 -1.69 -0.01 0.00 0.02 0.00 0.00 46.19 44.41 1yek s LEU 4 CO -0.11 -0.11 0.02 -1.10 0.02 0.00 0.00 176.35 175.07 1yek s GLN 5 N 1.37 3.37 0.18 1.70 1.11 0.16 -4.19 119.66 123.37 1yek s GLN 5 Ca 0.02 -0.65 0.01 0.00 0.01 0.00 0.00 55.36 54.75 1yek s GLN 5 Cb -0.16 -3.18 -0.04 0.00 -1.01 0.00 0.00 33.01 28.62 1yek s GLN 5 CO -0.04 -0.26 0.35 -0.65 0.01 0.00 0.00 175.29 174.70 1yek s GLN 6 N 1.52 3.48 0.95 2.91 -0.21 -1.26 -0.36 119.66 126.69 1yek s GLN 6 Ca 0.05 -0.46 -0.12 0.00 0.02 0.00 0.00 55.36 54.85 1yek s GLN 6 Cb -0.15 -2.89 0.16 0.00 1.00 0.00 0.00 33.01 31.13 1yek s GLN 6 CO 0.00 0.45 1.09 -1.54 -2.12 0.00 0.00 175.29 173.16 1yek s SER 7 N -3.25 2.95 0.93 5.90 1.04 -0.86 -4.97 113.70 115.44 1yek s SER 7 Ca 0.37 1.52 -0.12 0.00 0.48 0.00 0.00 55.95 58.20 1yek s SER 7 Cb -0.11 -2.19 0.15 0.00 0.10 0.00 0.00 66.02 63.97 1yek s SER 7 CO 0.29 -2.97 1.11 -0.83 0.98 0.00 0.00 173.24 171.81 1yek s GLY 8 N -3.22 1.58 0.53 7.32 0.00 -1.26 -4.62 107.32 107.66 1yek s GLY 8 Ca 0.65 -0.34 -0.21 0.00 0.00 0.00 0.00 44.72 44.82 1yek s GLY 8 CO 0.58 0.21 0.98 0.00 0.00 0.00 0.00 173.10 174.88 1yek n ALA 9 N -3.92 0.23 -2.55 3.20 0.00 -1.26 -4.75 120.51 111.45 1yek n ALA 9 Ca 0.06 0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.36 1yek n ALA 9 Cb 0.57 -2.10 -0.15 0.00 0.00 0.00 0.00 19.45 17.77 1yek n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1yek s GLU 10 N -2.47 1.21 -0.21 0.00 0.41 0.14 -4.98 118.70 112.80 1yek s GLU 10 Ca 0.71 -0.65 -0.02 0.00 -0.41 0.00 0.00 54.97 54.59 1yek s GLU 10 Cb -0.46 -1.20 0.00 0.00 -1.78 0.00 0.00 34.13 30.69 1yek s GLU 10 CO 0.51 0.32 -0.08 -1.17 -0.49 0.00 0.00 175.26 174.35 1yek s LEU 11 N -0.64 2.74 0.07 1.80 0.20 -1.26 -0.20 118.68 121.39 1yek s LEU 11 Ca 0.05 -0.51 0.08 0.00 0.69 0.00 0.00 54.13 54.45 1yek s LEU 11 Cb -0.07 -1.67 -0.03 0.00 -0.43 0.00 0.00 46.19 44.00 1yek s LEU 11 CO 0.00 -0.03 -0.22 -0.76 -0.29 0.00 0.00 176.35 175.05 1yek s LEU 12 N 1.42 2.22 0.22 -0.68 2.01 0.15 -4.95 118.68 119.07 1yek s LEU 12 Ca 0.05 -0.60 -0.20 0.00 0.01 0.00 0.00 54.13 53.39 1yek s LEU 12 Cb -0.14 -1.02 -0.08 0.00 0.01 0.00 0.00 46.19 44.95 1yek s LEU 12 CO -0.06 0.15 0.74 -0.13 1.01 0.00 0.00 176.35 178.06 1yek s ARG 13 N -1.46 4.29 0.29 1.70 1.81 -1.25 -0.38 118.95 123.94 1yek s ARG 13 Ca 0.08 0.92 -0.29 0.00 -1.72 0.00 0.00 55.73 54.72 1yek s ARG 13 Cb -0.09 -2.90 -0.13 0.00 -0.45 0.00 0.00 34.95 31.38 1yek s ARG 13 CO 0.03 0.40 1.31 -2.30 -0.68 0.00 0.00 175.30 174.05 1yek n PRO 14 N 0.77 1.98 -0.11 3.54 -0.02 -1.26 -2.24 135.00 137.66 1yek n PRO 14 Ca -0.02 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1yek n PRO 14 Cb 0.51 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1yek n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yek n GLY 15 N 1.45 1.81 1.60 -1.23 0.00 0.43 -4.91 105.19 104.34 1yek n GLY 15 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 1yek n GLY 15 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yek n THR 16 N -2.00 0.00 -4.33 2.61 -2.24 -0.95 -4.20 114.28 103.16 1yek n THR 16 Ca 0.00 -0.71 -0.18 0.00 -2.27 0.00 0.00 64.05 60.89 1yek n THR 16 Cb 0.00 -1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 67.11 1yek n THR 16 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1yek s SER 17 N -2.59 2.32 0.01 3.42 0.15 -1.26 -0.44 113.70 115.32 1yek s SER 17 Ca 0.26 -1.07 -0.03 0.00 0.70 0.00 0.00 55.95 55.81 1yek s SER 17 Cb -0.02 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.19 1yek s SER 17 CO 0.17 -0.28 0.05 0.68 1.20 0.00 0.00 173.24 175.06 1yek s VAL 18 N -3.12 0.10 -0.20 4.45 -7.23 -0.02 -4.99 120.40 109.40 1yek s VAL 18 Ca 0.23 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 1yek s VAL 18 Cb 0.02 -0.38 0.03 0.00 0.56 0.00 0.00 36.38 36.60 1yek s VAL 18 CO 0.06 -0.46 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.46 1yek s LYS 19 N -1.52 2.85 0.06 4.82 2.20 -1.26 -0.34 119.74 126.57 1yek s LYS 19 Ca -0.15 -0.92 -0.04 0.00 -0.36 0.00 0.00 55.97 54.49 1yek s LYS 19 Cb -0.08 -2.64 -0.05 0.00 -1.51 0.00 0.00 37.83 33.55 1yek s LYS 19 CO -0.00 -0.28 0.29 -0.51 -0.36 0.00 0.00 175.35 174.49 1yek s LEU 20 N 1.26 4.33 0.16 5.43 1.43 0.25 -4.93 118.68 126.61 1yek s LEU 20 Ca 0.02 0.50 0.10 0.00 -1.03 0.00 0.00 54.13 53.73 1yek s LEU 20 Cb -0.14 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 1yek s LEU 20 CO -0.11 0.17 -0.24 -0.94 0.23 0.00 0.00 176.35 175.46 1yek s SER 21 N -2.13 3.18 -0.33 2.29 1.04 -1.26 -1.31 113.70 115.17 1yek s SER 21 Ca 0.34 -0.81 -0.01 0.00 0.48 0.00 0.00 55.95 55.94 1yek s SER 21 Cb -0.13 -0.22 0.12 0.00 0.10 0.00 0.00 66.02 65.89 1yek s SER 21 CO 0.22 0.11 0.16 0.00 0.98 0.00 0.00 173.24 174.71 1yek s LYS 23 N 1.48 4.34 0.26 0.00 2.20 0.51 -1.08 119.74 127.45 1yek s LYS 23 Ca 0.13 0.98 0.08 0.00 -0.36 0.00 0.00 55.97 56.81 1yek s LYS 23 Cb -0.20 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1yek s LYS 23 CO -0.18 -0.21 0.10 0.95 -0.36 0.00 0.00 175.35 175.65 1yek s THR 24 N 1.74 3.90 0.20 3.43 -4.23 -0.63 0.41 115.64 120.46 1yek s THR 24 Ca 0.38 -1.66 -0.22 0.00 -1.18 0.00 0.00 61.69 59.01 1yek s THR 24 Cb -0.17 -3.12 0.05 0.00 1.34 0.00 0.00 72.50 70.61 1yek s THR 24 CO 0.15 -0.35 0.63 -0.94 -0.54 0.00 0.00 174.62 173.57 1yek s SER 25 N -3.76 -0.45 0.00 3.99 1.04 -0.01 -4.85 113.70 109.65 1yek s SER 25 Ca 0.32 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1yek s SER 25 Cb -0.07 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1yek s SER 25 CO 0.22 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1yek n GLY 26 N -0.40 0.80 3.69 7.32 0.00 -1.25 -1.72 105.19 113.61 1yek n GLY 26 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1yek n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1yek s TYR 27 N -3.02 -0.18 -0.68 1.61 1.13 -1.26 -4.33 117.35 110.62 1yek s TYR 27 Ca 0.00 -0.21 -0.26 0.00 -1.41 0.00 0.00 57.07 55.19 1yek s TYR 27 Cb 0.00 0.56 -0.00 0.00 -1.10 0.00 0.00 41.96 41.42 1yek s TYR 27 CO 0.00 -1.08 1.65 0.42 -2.51 0.00 0.00 175.55 174.02 1yek s ILE 28 N -3.89 3.50 0.25 -3.49 1.01 -1.26 -4.87 121.20 112.45 1yek s ILE 28 Ca 0.10 0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.94 1yek s ILE 28 Cb -0.04 -4.33 0.24 0.00 0.01 0.00 0.00 42.46 38.35 1yek s ILE 28 CO 0.02 -1.28 1.69 0.15 0.00 0.00 0.00 174.94 175.51 1yek h PHE 29 N 12.90 0.32 0.00 3.97 3.57 -1.97 -2.06 116.94 133.67 1yek h PHE 29 Ca -0.24 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1yek h PHE 29 Cb 1.11 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1yek h PHE 29 CO 1.09 -0.08 0.00 0.25 -2.23 0.00 0.00 178.31 177.34 1yek n THR 30 N -5.14 0.67 0.83 4.41 -2.24 -1.26 -3.51 114.28 108.04 1yek n THR 30 Ca 0.15 0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.22 1yek n THR 30 Cb 0.49 -0.87 0.22 0.00 -2.10 0.00 0.00 70.33 68.06 1yek n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1yek n SER 31 N -1.42 2.87 -4.05 3.42 7.64 -0.77 -2.70 113.62 118.62 1yek n SER 31 Ca 0.06 -1.91 -0.11 0.00 1.01 0.00 0.00 58.87 57.91 1yek n SER 31 Cb 0.18 -0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 63.17 1yek n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1yek s TYR 32 N -1.79 0.56 0.33 1.43 1.51 -1.23 -5.08 117.35 113.08 1yek s TYR 32 Ca 0.34 -0.58 -0.27 0.00 -1.01 0.00 0.00 57.07 55.55 1yek s TYR 32 Cb 0.21 -0.35 -0.09 0.00 -0.11 0.00 0.00 41.96 41.62 1yek s TYR 32 CO 0.31 -0.14 1.03 -1.58 -1.11 0.00 0.00 175.55 174.06 1yek s TRP 33 N -1.74 3.53 -0.14 2.71 0.52 -1.26 -4.32 118.94 118.23 1yek s TRP 33 Ca -0.09 1.72 -0.00 0.00 0.02 0.00 0.00 56.10 57.75 1yek s TRP 33 Cb -0.08 -3.11 -0.01 0.00 -1.15 0.00 0.00 33.47 29.12 1yek s TRP 33 CO -0.01 -0.31 -0.13 0.42 0.02 0.00 0.00 176.95 176.94 1yek s ILE 34 N -1.45 2.92 0.22 2.03 1.01 0.17 -4.10 121.20 121.99 1yek s ILE 34 Ca 0.50 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.54 1yek s ILE 34 Cb -0.25 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1yek s ILE 34 CO 0.31 0.51 0.05 -1.00 0.00 0.00 0.00 174.94 174.82 1yek s HIS 35 N 0.59 2.88 -0.05 3.97 3.76 -0.61 -0.74 115.29 125.09 1yek s HIS 35 Ca -0.08 -0.15 0.04 0.00 -0.15 0.00 0.00 55.06 54.73 1yek s HIS 35 Cb -0.16 -1.34 -0.00 0.00 1.11 0.00 0.00 32.58 32.19 1yek s HIS 35 CO 0.03 0.55 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.71 1yek s TRP 36 N -2.00 1.86 0.06 1.40 0.52 -0.55 -1.20 118.94 119.03 1yek s TRP 36 Ca 0.30 -0.56 0.06 0.00 0.02 0.00 0.00 56.10 55.92 1yek s TRP 36 Cb -0.08 -1.25 -0.03 0.00 -1.15 0.00 0.00 33.47 30.96 1yek s TRP 36 CO 0.21 -0.19 -0.17 0.08 0.02 0.00 0.00 176.95 176.89 1yek s VAL 37 N 0.06 1.40 -0.05 4.03 1.01 0.04 -1.60 120.40 125.28 1yek s VAL 37 Ca -0.05 -1.23 0.05 0.00 0.00 0.00 0.00 61.98 60.75 1yek s VAL 37 Cb -0.12 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1yek s VAL 37 CO 0.03 0.01 -0.20 -0.75 0.00 0.00 0.00 175.10 174.18 1yek s LYS 38 N -1.43 2.52 -0.13 2.72 2.20 0.31 -0.67 119.74 125.25 1yek s LYS 38 Ca 0.04 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 1yek s LYS 38 Cb -0.09 -2.25 0.02 0.00 -1.51 0.00 0.00 37.83 34.00 1yek s LYS 38 CO 0.02 0.49 -0.12 -1.14 -0.36 0.00 0.00 175.35 174.24 1yek s GLN 39 N -0.41 2.05 0.05 4.03 0.74 -0.15 -0.63 119.66 125.35 1yek s GLN 39 Ca 0.04 -0.47 0.05 0.00 0.05 0.00 0.00 55.36 55.03 1yek s GLN 39 Cb -0.12 -1.90 -0.04 0.00 1.10 0.00 0.00 33.01 32.05 1yek s GLN 39 CO 0.02 -0.21 -0.06 1.03 -0.55 0.00 0.00 175.29 175.51 1yek s ARG 40 N 1.45 2.43 0.00 1.67 0.52 -0.58 -1.79 118.95 122.65 1yek s ARG 40 Ca 0.03 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 1yek s ARG 40 Cb -0.13 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 32.89 1yek s ARG 40 CO -0.08 0.56 0.00 -1.13 0.02 0.00 0.00 175.30 174.67 1yek n SER 41 N 1.09 0.00 0.00 0.23 3.41 -1.26 -3.69 113.62 113.40 1yek n SER 41 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1yek n SER 41 Cb 0.52 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1yek n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yek n GLY 42 N 0.34 0.48 3.58 5.00 0.00 -1.26 -4.98 105.19 108.35 1yek n GLY 42 Ca 0.00 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 1yek n GLY 42 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1yek s GLN 43 N 0.00 2.25 -0.49 1.61 -2.07 -1.26 -4.63 119.66 115.06 1yek s GLN 43 Ca 0.00 -1.02 0.07 0.00 -1.82 0.00 0.00 55.36 52.59 1yek s GLN 43 Cb 0.00 -5.19 0.19 0.00 -1.09 0.00 0.00 33.01 26.91 1yek s GLN 43 CO 0.00 -4.27 0.68 0.20 -1.32 0.00 0.00 175.29 170.59 1yek s GLY 44 N 6.89 -1.09 -0.04 2.60 0.00 -1.24 -5.01 107.32 109.43 1yek s GLY 44 Ca 0.71 -0.44 -0.13 0.00 0.00 0.00 0.00 44.72 44.86 1yek s GLY 44 CO 0.14 3.55 0.35 1.08 0.00 0.00 0.00 173.10 178.22 1yek s LEU 45 N 1.01 4.44 0.01 0.66 1.43 -1.26 -1.52 118.68 123.44 1yek s LEU 45 Ca 0.27 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 1yek s LEU 45 Cb -0.01 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1yek s LEU 45 CO -0.06 0.32 -0.05 -1.61 0.23 0.00 0.00 176.35 175.19 1yek s GLU 46 N -0.95 0.36 -0.18 1.70 2.02 0.20 -4.98 118.70 116.86 1yek s GLU 46 Ca 0.22 -0.30 -0.17 0.00 0.02 0.00 0.00 54.97 54.73 1yek s GLU 46 Cb -0.15 -0.27 -0.04 0.00 0.10 0.00 0.00 34.13 33.77 1yek s GLU 46 CO 0.11 0.07 0.47 -0.46 0.02 0.00 0.00 175.26 175.46 1yek s TRP 47 N -0.47 3.40 -0.16 1.61 -0.00 -1.26 -0.53 118.94 121.53 1yek s TRP 47 Ca -0.02 0.74 -0.13 0.00 -0.00 0.00 0.00 56.10 56.69 1yek s TRP 47 Cb -0.04 -2.59 -0.05 0.00 -0.00 0.00 0.00 33.47 30.79 1yek s TRP 47 CO -0.00 -0.01 -0.23 -0.89 -0.00 0.00 0.00 176.95 175.82 1yek n ILE 48 N 4.28 1.45 -3.77 5.86 5.41 -0.63 -4.71 119.36 127.25 1yek n ILE 48 Ca -0.06 0.17 -0.01 0.00 1.00 0.00 0.00 62.75 63.84 1yek n ILE 48 Cb 0.51 -2.36 0.00 0.00 -0.71 0.00 0.00 39.64 37.08 1yek n ILE 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yek s ALA 49 N -2.78 -1.89 0.02 -1.39 0.00 -1.24 -0.93 121.76 113.54 1yek s ALA 49 Ca -0.21 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1yek s ALA 49 Cb 0.03 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1yek s ALA 49 CO 0.31 -1.06 0.00 -0.98 0.00 0.00 0.00 175.76 174.03 1yek s ARG 50 N -2.61 0.33 0.00 0.00 1.70 -0.79 -1.48 118.95 116.10 1yek s ARG 50 Ca 0.17 -0.55 0.02 0.00 -0.47 0.00 0.00 55.73 54.90 1yek s ARG 50 Cb 0.00 0.12 -0.01 0.00 -0.57 0.00 0.00 34.95 34.50 1yek s ARG 50 CO 0.01 -0.06 -0.06 -1.50 -1.08 0.00 0.00 175.30 172.61 1yek s ILE 51 N -1.39 0.46 -0.46 4.99 2.07 0.08 -2.17 121.20 124.78 1yek s ILE 51 Ca -0.15 -0.36 -0.10 0.00 -1.41 0.00 0.00 60.65 58.63 1yek s ILE 51 Cb -0.09 -0.41 0.11 0.00 0.13 0.00 0.00 42.46 42.20 1yek s ILE 51 CO -0.00 0.06 0.33 -0.47 -1.91 0.00 0.00 174.94 172.95 1yek s TYR 52 N -0.30 3.39 0.44 3.50 5.04 -0.21 -0.66 117.35 128.55 1yek s TYR 52 Ca 0.01 -1.75 0.18 0.00 -2.44 0.00 0.00 57.07 53.07 1yek s TYR 52 Cb -0.03 -3.38 1.11 0.00 0.35 0.00 0.00 41.96 40.00 1yek s TYR 52 CO -0.00 -0.96 1.91 -1.35 -1.34 0.00 0.00 175.55 173.81 1yek h PRO 52 N 8.47 0.35 -0.86 4.97 0.11 -1.81 0.48 132.00 143.71 1yek h PRO 52 Ca -0.22 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.97 1yek h PRO 52 Cb 1.08 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 32.03 1yek h PRO 52 CO 0.85 0.23 0.50 0.78 -0.21 0.00 0.00 178.00 180.14 1yek h GLY 53 N 0.36 1.36 0.00 -0.55 0.00 -1.78 -3.25 103.07 99.21 1yek h GLY 53 Ca 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1yek h GLY 53 CO -0.11 0.11 -1.18 -1.30 0.00 0.00 0.00 176.54 174.05 1yek n THR 54 N -4.74 0.00 -0.60 4.70 -2.24 -0.94 -5.01 114.28 105.46 1yek n THR 54 Ca 0.15 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1yek n THR 54 Cb 0.31 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1yek n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yek n GLY 55 N 2.01 0.72 3.74 3.38 0.00 0.17 -5.04 105.19 110.17 1yek n GLY 55 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1yek n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yek s SER 56 N -2.17 6.94 0.05 1.61 0.15 -1.18 -4.81 113.70 114.29 1yek s SER 56 Ca 0.00 2.41 0.01 0.00 0.70 0.00 0.00 55.95 59.07 1yek s SER 56 Cb 0.00 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 1yek s SER 56 CO 0.00 -0.46 -0.05 0.42 1.20 0.00 0.00 173.24 174.34 1yek s THR 57 N -0.25 0.39 -0.01 6.45 -4.23 -1.26 -1.05 115.64 115.68 1yek s THR 57 Ca 0.54 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 1yek s THR 57 Cb -0.36 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.50 1yek s THR 57 CO 0.41 -0.67 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.46 1yek s TYR 58 N -2.52 0.44 0.12 3.99 1.51 -0.92 -5.01 117.35 114.97 1yek s TYR 58 Ca -0.03 -0.08 0.09 0.00 -1.01 0.00 0.00 57.07 56.04 1yek s TYR 58 Cb -0.02 -0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 41.47 1yek s TYR 58 CO -0.04 -0.03 -0.21 0.71 -1.11 0.00 0.00 175.55 174.87 1yek s TYR 59 N 0.09 1.88 0.02 2.71 1.51 -1.26 -1.88 117.35 120.42 1yek s TYR 59 Ca -0.01 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 1yek s TYR 59 Cb -0.04 -1.01 -0.05 0.00 -0.11 0.00 0.00 41.96 40.75 1yek s TYR 59 CO -0.00 0.26 1.25 1.21 -1.11 0.00 0.00 175.55 177.16 1yek s ASN 60 N -2.10 7.01 0.32 2.29 3.84 -0.11 -4.91 114.94 121.28 1yek s ASN 60 Ca 0.10 2.00 0.09 0.00 0.21 0.00 0.00 52.86 55.26 1yek s ASN 60 Cb -0.09 -2.57 0.93 0.00 -0.55 0.00 0.00 41.25 38.97 1yek s ASN 60 CO 0.05 -0.56 1.63 -0.08 -2.79 0.00 0.00 177.10 175.35 1yek h GLU 61 N 7.18 0.18 -0.77 0.43 4.57 -1.96 0.13 114.58 124.34 1yek h GLU 61 Ca -0.39 -0.01 0.19 0.00 -1.18 0.00 0.00 59.36 57.97 1yek h GLU 61 Cb 1.19 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 1yek h GLU 61 CO 0.85 0.12 0.53 0.87 -1.18 0.00 0.00 179.01 180.21 1yek h LYS 62 N 0.19 0.22 -0.07 1.92 1.57 -1.95 -2.54 116.57 115.90 1yek h LYS 62 Ca 0.66 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 1yek h LYS 62 Cb 1.48 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1yek h LYS 62 CO -0.69 0.14 0.00 1.19 -0.57 0.00 0.00 179.45 179.52 1yek n PHE 63 N -4.42 0.06 -1.95 -1.35 3.72 0.44 -4.85 117.46 109.11 1yek n PHE 63 Ca 0.16 -0.03 -0.42 0.00 -0.05 0.00 0.00 57.45 57.11 1yek n PHE 63 Cb 0.69 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.20 1yek n PHE 63 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1yek s LYS 64 N -1.94 4.22 0.00 -1.08 1.02 -0.96 -0.83 119.74 120.17 1yek s LYS 64 Ca 0.30 2.34 0.00 0.00 0.02 0.00 0.00 55.97 58.63 1yek s LYS 64 Cb 0.20 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 1yek s LYS 64 CO 0.30 -0.59 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 1yek n GLY 65 N 3.70 2.97 0.12 -3.33 0.00 -1.26 -4.78 105.19 102.61 1yek n GLY 65 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1yek n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1yek n LYS 66 N -2.00 0.61 -4.57 1.61 3.00 -0.01 -4.74 118.16 112.07 1yek n LYS 66 Ca 0.00 0.42 -0.32 0.00 -0.00 0.00 0.00 58.31 58.41 1yek n LYS 66 Cb 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 35.03 33.25 1yek n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1yek s ALA 67 N -2.44 2.87 -0.08 3.14 0.00 -0.24 -1.93 121.76 123.08 1yek s ALA 67 Ca -0.30 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 1yek s ALA 67 Cb 0.08 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 22.21 1yek s ALA 67 CO 0.60 0.59 -0.01 0.99 0.00 0.00 0.00 175.76 177.94 1yek s THR 68 N -0.94 0.49 -0.10 0.00 2.01 -0.25 -4.80 115.64 112.05 1yek s THR 68 Ca 0.16 0.05 -0.06 0.00 0.31 0.00 0.00 61.69 62.15 1yek s THR 68 Cb -0.11 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1yek s THR 68 CO 0.06 0.28 0.12 -0.76 -0.69 0.00 0.00 174.62 173.63 1yek s LEU 69 N 1.93 4.27 0.25 4.42 1.43 -1.26 -0.40 118.68 129.32 1yek s LEU 69 Ca 0.05 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 1yek s LEU 69 Cb -0.12 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1yek s LEU 69 CO -0.06 0.39 0.17 0.42 0.23 0.00 0.00 176.35 177.50 1yek s THR 70 N -1.04 0.09 -0.18 5.49 -4.23 -0.73 -5.01 115.64 110.02 1yek s THR 70 Ca 0.16 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.50 1yek s THR 70 Cb -0.12 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 71.26 1yek s THR 70 CO 0.05 0.00 0.49 0.00 -0.54 0.00 0.00 174.62 174.62 1yek s ALA 71 N -3.86 -1.21 -0.39 3.99 0.00 -1.26 -1.58 121.76 117.45 1yek s ALA 71 Ca 0.39 1.39 -0.06 0.00 0.00 0.00 0.00 51.96 53.68 1yek s ALA 71 Cb 0.06 -0.81 0.08 0.00 0.00 0.00 0.00 23.12 22.45 1yek s ALA 71 CO 0.17 -0.23 0.19 0.34 0.00 0.00 0.00 175.76 176.22 1yek s ASP 72 N 0.30 5.35 0.41 0.00 2.15 0.12 -4.97 116.67 120.04 1yek s ASP 72 Ca -0.00 -1.63 0.09 0.00 0.43 0.00 0.00 52.55 51.44 1yek s ASP 72 Cb -0.04 -1.88 0.87 0.00 -0.30 0.00 0.00 42.92 41.57 1yek s ASP 72 CO 0.00 -0.48 2.00 0.11 -0.17 0.00 0.00 175.17 176.63 1yek h LYS 73 N 8.20 0.33 0.00 4.34 1.57 -1.90 0.35 116.57 129.46 1yek h LYS 73 Ca -0.19 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1yek h LYS 73 Cb 1.07 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1yek h LYS 73 CO 0.69 0.33 -0.32 0.66 -0.57 0.00 0.00 179.45 180.24 1yek h SER 74 N 0.33 0.00 -0.01 0.86 4.64 -1.96 -2.97 113.55 114.44 1yek h SER 74 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1yek h SER 74 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1yek h SER 74 CO -0.00 0.32 -0.12 -1.54 -0.87 0.00 0.00 176.83 174.61 1yek n SER 75 N -3.90 1.34 -3.36 4.97 3.41 -0.98 -5.00 113.62 110.09 1yek n SER 75 Ca -0.02 -1.17 -0.24 0.00 -0.26 0.00 0.00 58.87 57.19 1yek n SER 75 Cb 0.39 0.31 0.05 0.00 -0.26 0.00 0.00 64.21 64.70 1yek n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1yek n SER 76 N -0.02 -5.98 -4.36 4.04 7.64 0.12 -4.75 113.62 110.31 1yek n SER 76 Ca 0.04 -0.44 -0.33 0.00 1.01 0.00 0.00 58.87 59.15 1yek n SER 76 Cb 0.20 -4.78 -0.15 0.00 -1.01 0.00 0.00 64.21 58.48 1yek n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1yek s THR 77 N -3.23 2.86 -0.09 0.44 2.01 -0.94 -1.60 115.64 115.09 1yek s THR 77 Ca 0.46 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.67 1yek s THR 77 Cb -0.21 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 1yek s THR 77 CO 0.57 0.54 0.08 0.00 -0.69 0.00 0.00 174.62 175.12 1yek s ALA 78 N 0.11 3.61 0.15 7.40 0.00 -0.24 0.15 121.76 132.94 1yek s ALA 78 Ca -0.07 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.23 1yek s ALA 78 Cb -0.15 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1yek s ALA 78 CO 0.05 0.62 -0.17 0.71 0.00 0.00 0.00 175.76 176.97 1yek s TYR 79 N -1.00 1.69 -0.06 0.00 2.02 -0.61 -0.12 117.35 119.26 1yek s TYR 79 Ca 0.15 -0.49 -0.02 0.00 -0.37 0.00 0.00 57.07 56.34 1yek s TYR 79 Cb -0.12 -0.86 0.03 0.00 -0.40 0.00 0.00 41.96 40.62 1yek s TYR 79 CO 0.05 0.26 0.05 1.41 -1.57 0.00 0.00 175.55 175.75 1yek s MET 80 N -2.69 0.13 -0.15 -0.62 -2.45 -0.43 -1.78 119.30 111.30 1yek s MET 80 Ca 0.13 0.25 -0.10 0.00 -1.25 0.00 0.00 55.69 54.72 1yek s MET 80 Cb -0.06 -0.79 -0.05 0.00 1.25 0.00 0.00 34.83 35.19 1yek s MET 80 CO 0.05 -0.36 0.18 -1.14 1.05 0.00 0.00 175.02 174.80 1yek s GLN 81 N 2.11 3.92 -0.15 4.11 0.74 0.47 -0.59 119.66 130.27 1yek s GLN 81 Ca 0.05 -0.10 -0.00 0.00 0.05 0.00 0.00 55.36 55.35 1yek s GLN 81 Cb -0.13 -3.33 -0.01 0.00 1.10 0.00 0.00 33.01 30.65 1yek s GLN 81 CO -0.04 0.48 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.54 1yek s LEU 82 N -0.20 2.65 0.14 3.68 1.43 0.54 -1.09 118.68 125.83 1yek s LEU 82 Ca 0.13 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1yek s LEU 82 Cb -0.12 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1yek s LEU 82 CO 0.02 0.11 0.05 -0.44 0.23 0.00 0.00 176.35 176.32 1yek s SER 82 N 0.67 5.14 -0.93 2.29 0.01 -0.81 -0.84 113.70 119.24 1yek s SER 82 Ca -0.07 -0.22 -0.09 0.00 1.31 0.00 0.00 55.95 56.89 1yek s SER 82 Cb -0.15 -1.24 0.01 0.00 0.21 0.00 0.00 66.02 64.85 1yek s SER 82 CO 0.02 0.12 0.63 0.41 0.41 0.00 0.00 173.24 174.83 1yek n THR 82 N 0.06 -3.45 -2.05 1.44 -1.04 -0.70 -4.85 114.28 103.69 1yek n THR 82 Ca -0.09 -0.18 -0.41 0.00 -2.04 0.00 0.00 64.05 61.32 1yek n THR 82 Cb 0.54 -2.93 -0.02 0.00 -1.82 0.00 0.00 70.33 66.09 1yek n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1yek s LEU 82 N -5.58 4.40 0.00 -4.42 1.43 0.42 -4.62 118.68 110.31 1yek s LEU 82 Ca 0.13 2.70 0.04 0.00 -1.03 0.00 0.00 54.13 55.97 1yek s LEU 82 Cb -0.07 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 1yek s LEU 82 CO 0.91 -0.63 0.15 2.29 0.23 0.00 0.00 176.35 179.30 1yek n LYS 83 N 1.48 0.51 -0.36 1.70 2.85 -1.26 -0.42 118.16 122.65 1yek n LYS 83 Ca 0.03 -2.54 -0.02 0.00 -1.05 0.00 0.00 58.31 54.73 1yek n LYS 83 Cb 0.41 1.67 0.03 0.00 -0.65 0.00 0.00 35.03 36.49 1yek n LYS 83 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1yek h SER 84 N 1.35 -1.42 0.19 -5.58 0.02 -1.96 -0.91 113.55 105.24 1yek h SER 84 Ca -0.21 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1yek h SER 84 Cb 0.90 0.74 0.00 0.00 0.14 0.00 0.00 62.40 64.18 1yek h SER 84 CO 0.33 -0.29 0.00 -0.33 -1.14 0.00 0.00 176.83 175.40 1yek h GLU 85 N -0.02 0.00 0.00 3.45 3.07 -1.99 -2.73 114.58 116.36 1yek h GLU 85 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1yek h GLU 85 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1yek h GLU 85 CO -0.95 0.00 -0.10 -0.25 -1.40 0.00 0.00 179.01 176.31 1yek n ASP 86 N -2.38 0.35 -4.66 1.42 8.00 -0.35 -4.74 116.55 114.19 1yek n ASP 86 Ca -0.01 0.41 -0.43 0.00 0.71 0.00 0.00 54.79 55.48 1yek n ASP 86 Cb 0.09 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 40.71 1yek n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1yek s SER 87 N -3.55 6.76 -0.03 -2.24 0.01 -1.03 -4.84 113.70 108.78 1yek s SER 87 Ca 0.12 1.97 -0.25 0.00 1.31 0.00 0.00 55.95 59.10 1yek s SER 87 Cb 0.16 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.94 1yek s SER 87 CO 0.58 -0.88 1.12 0.00 0.41 0.00 0.00 173.24 174.48 1yek n ALA 88 N 7.01 -3.19 -2.83 1.44 0.00 -0.84 -4.84 120.51 117.27 1yek n ALA 88 Ca 0.16 -0.68 -0.34 0.00 0.00 0.00 0.00 53.44 52.57 1yek n ALA 88 Cb 0.44 0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 1yek n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yek s VAL 89 N -2.03 4.54 -0.09 0.00 1.01 -0.74 -0.43 120.40 122.66 1yek s VAL 89 Ca 0.27 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1yek s VAL 89 Cb -0.01 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 1yek s VAL 89 CO -0.01 0.50 -0.10 -0.31 0.00 0.00 0.00 175.10 175.18 1yek s TYR 90 N 0.09 2.85 0.05 5.22 1.51 0.77 -0.97 117.35 126.87 1yek s TYR 90 Ca 0.04 -0.27 0.09 0.00 -1.01 0.00 0.00 57.07 55.91 1yek s TYR 90 Cb -0.13 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1yek s TYR 90 CO 0.01 0.07 -0.26 -0.06 -1.11 0.00 0.00 175.55 174.21 1yek s PHE 91 N -0.26 2.34 0.10 2.71 0.08 0.15 -0.65 117.98 122.46 1yek s PHE 91 Ca 0.03 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.75 1yek s PHE 91 Cb -0.13 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 1yek s PHE 91 CO 0.03 0.16 -0.09 0.00 -0.10 0.00 0.00 175.22 175.22 1yek s THR 93 N -1.21 -0.00 -0.99 0.00 -1.32 -0.35 -1.15 115.64 110.62 1yek s THR 93 Ca 0.22 0.01 -0.17 0.00 -1.21 0.00 0.00 61.69 60.54 1yek s THR 93 Cb -0.11 -0.59 0.16 0.00 -1.51 0.00 0.00 72.50 70.45 1yek s THR 93 CO 0.14 0.00 1.15 -0.60 -2.21 0.00 0.00 174.62 173.10 1yek s ARG 94 N 0.34 3.74 0.38 7.08 3.52 0.33 -1.57 118.95 132.77 1yek s ARG 94 Ca -0.01 -2.09 0.16 0.00 -0.13 0.00 0.00 55.73 53.66 1yek s ARG 94 Cb -0.03 -4.88 1.04 0.00 -1.56 0.00 0.00 34.95 29.52 1yek s ARG 94 CO -0.01 -1.69 1.78 2.35 -0.81 0.00 0.00 175.30 176.92 1yek h TRP 95 N 8.24 0.71 0.00 5.12 2.91 -1.82 -2.82 115.95 128.30 1yek h TRP 95 Ca 0.19 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.23 1yek h TRP 95 Cb 0.99 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.43 1yek h TRP 95 CO 1.12 0.10 0.00 0.41 -1.03 0.00 0.00 178.44 179.03 1yek n GLY 96 N -1.45 0.73 3.73 2.65 0.00 -1.26 -4.13 105.19 105.46 1yek n GLY 96 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1yek n GLY 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1yek s PHE 97 N -2.09 3.63 -0.46 1.61 5.36 -1.26 -0.19 117.98 124.58 1yek s PHE 97 Ca 0.00 1.61 -0.01 0.00 -0.96 0.00 0.00 56.93 57.57 1yek s PHE 97 Cb 0.00 -3.23 0.12 0.00 -0.34 0.00 0.00 43.02 39.58 1yek s PHE 97 CO 0.00 -0.45 0.24 0.42 -1.46 0.00 0.00 175.22 173.98 1yek s ILE 98 N 0.16 3.15 0.20 3.12 -1.09 0.49 -4.90 121.20 122.33 1yek s ILE 98 Ca 0.50 -2.46 -0.16 0.00 -2.23 0.00 0.00 60.65 56.30 1yek s ILE 98 Cb -0.27 -3.16 0.18 0.00 -1.58 0.00 0.00 42.46 37.64 1yek s ILE 98 CO 0.32 -0.73 1.62 -0.65 -1.23 0.00 0.00 174.94 174.26 1yek h PRO 99 N 7.56 -0.06 -0.81 2.79 0.11 -1.95 0.29 132.00 139.94 1yek h PRO 99 Ca -0.08 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.09 1yek h PRO 99 Cb 1.00 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1yek h PRO 99 CO 0.67 -0.04 0.53 -0.24 -0.21 0.00 0.00 178.00 178.71 1yek h VAL 100 N -0.07 1.05 -0.00 3.15 3.04 -1.94 0.29 116.25 121.77 1yek h VAL 100 Ca 0.27 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1yek h VAL 100 Cb 0.48 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.84 1yek h VAL 100 CO -0.62 0.16 -0.56 0.54 -1.01 0.00 0.00 177.57 176.08 1yek n ARG 100 N -4.48 0.03 -4.02 4.17 5.12 -0.82 -4.94 116.66 111.72 1yek n ARG 100 Ca 0.12 -0.02 -0.32 0.00 -1.93 0.00 0.00 57.85 55.70 1yek n ARG 100 Cb 0.21 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.01 1yek n ARG 100 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1yek n GLU 100 N -1.47 -4.66 -4.03 5.56 1.02 0.97 -4.95 120.64 113.08 1yek n GLU 100 Ca 0.06 0.52 -0.11 0.00 -0.02 0.00 0.00 57.16 57.61 1yek n GLU 100 Cb 0.34 -5.33 -0.05 0.00 -0.02 0.00 0.00 31.44 26.37 1yek n GLU 100 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1yek s ASP 100 N -3.34 0.15 0.22 1.62 -1.08 -1.10 -5.00 116.67 108.13 1yek s ASP 100 Ca 0.67 -1.10 0.09 0.00 -0.52 0.00 0.00 52.55 51.69 1yek s ASP 100 Cb -0.35 0.59 -0.04 0.00 -1.46 0.00 0.00 42.92 41.66 1yek s ASP 100 CO 0.87 -1.17 -0.07 -0.31 0.52 0.00 0.00 175.17 175.01 1yek s TYR 100 N -3.76 2.63 0.27 -5.34 1.51 -1.26 -0.38 117.35 111.02 1yek s TYR 100 Ca 0.26 -0.23 0.10 0.00 -1.01 0.00 0.00 57.07 56.19 1yek s TYR 100 Cb -0.00 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1yek s TYR 100 CO 0.12 0.57 -0.06 0.08 -1.11 0.00 0.00 175.55 175.14 1yek s VAL 100 N -1.98 3.18 0.27 0.71 1.01 0.74 -4.96 120.40 119.36 1yek s VAL 100 Ca 0.27 -2.04 -0.30 0.00 0.00 0.00 0.00 61.98 59.91 1yek s VAL 100 Cb -0.08 -2.69 -0.13 0.00 0.00 0.00 0.00 36.38 33.48 1yek s VAL 100 CO 0.17 -0.38 1.30 0.80 0.00 0.00 0.00 175.10 176.99 1yek n MET 100 N -0.79 1.91 -3.07 2.72 1.56 -1.26 -4.46 117.12 113.72 1yek n MET 100 Ca -0.06 0.68 -0.39 0.00 -0.27 0.00 0.00 57.70 57.65 1yek n MET 100 Cb 0.59 -2.26 -0.05 0.00 2.15 0.00 0.00 33.22 33.65 1yek n MET 100 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 1yek s ASP 101 N -0.02 7.16 -0.03 6.12 -4.77 -1.26 -4.60 116.67 119.26 1yek s ASP 101 Ca 0.63 1.39 0.06 0.00 -3.30 0.00 0.00 52.55 51.33 1yek s ASP 101 Cb -0.65 -2.43 -0.01 0.00 -1.09 0.00 0.00 42.92 38.74 1yek s ASP 101 CO 0.55 0.10 -0.23 -0.31 0.70 0.00 0.00 175.17 175.98 1yek s TYR 102 N -0.38 2.16 0.17 2.11 2.02 -1.06 -4.99 117.35 117.38 1yek s TYR 102 Ca 0.35 -0.51 0.10 0.00 -0.37 0.00 0.00 57.07 56.64 1yek s TYR 102 Cb -0.20 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 1yek s TYR 102 CO 0.22 -0.11 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.29 1yek s TRP 103 N -0.35 2.07 0.88 2.71 0.52 -1.26 -0.51 118.94 123.00 1yek s TRP 103 Ca 0.03 -0.41 -0.14 0.00 0.02 0.00 0.00 56.10 55.61 1yek s TRP 103 Cb -0.11 -1.04 0.14 0.00 -1.15 0.00 0.00 33.47 31.30 1yek s TRP 103 CO 0.01 0.39 1.24 0.20 0.02 0.00 0.00 176.95 178.82 1yek s GLY 104 N -2.54 1.68 0.08 0.98 0.00 -0.30 -4.55 107.32 102.67 1yek s GLY 104 Ca 0.17 -0.90 0.27 0.00 0.00 0.00 0.00 44.72 44.26 1yek s GLY 104 CO 0.08 -0.28 1.82 0.61 0.00 0.00 0.00 173.10 175.33 1yek n GLN 105 N -3.54 0.11 0.00 2.90 0.00 -1.26 -4.78 117.38 110.81 1yek n GLN 105 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 57.00 57.20 1yek n GLN 105 Cb 0.60 -1.62 0.00 0.00 0.00 0.00 0.00 30.24 29.22 1yek n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1yek n GLY 106 N 1.42 2.14 3.08 2.61 0.00 -1.26 -5.05 105.19 108.14 1yek n GLY 106 Ca 0.06 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 1yek n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yek s THR 107 N -1.28 1.73 -0.13 2.61 2.01 0.18 -4.89 115.64 115.86 1yek s THR 107 Ca 0.00 -0.76 -0.20 0.00 0.31 0.00 0.00 61.69 61.04 1yek s THR 107 Cb 0.00 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1yek s THR 107 CO 0.00 0.49 0.59 -0.22 -0.69 0.00 0.00 174.62 174.78 1yek s LEU 108 N 1.15 4.24 -0.14 4.42 0.20 -1.26 -0.16 118.68 127.12 1yek s LEU 108 Ca -0.01 0.91 0.01 0.00 0.69 0.00 0.00 54.13 55.73 1yek s LEU 108 Cb -0.14 -2.86 -0.00 0.00 -0.43 0.00 0.00 46.19 42.75 1yek s LEU 108 CO -0.06 -0.13 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.01 1yek s VAL 109 N 1.14 2.55 -0.22 1.68 1.01 0.43 -0.68 120.40 126.31 1yek s VAL 109 Ca 0.30 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1yek s VAL 109 Cb -0.16 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1yek s VAL 109 CO 0.12 0.53 -0.09 -0.89 0.00 0.00 0.00 175.10 174.77 1yek s THR 110 N 0.63 2.80 -0.43 3.92 2.01 0.73 -1.98 115.64 123.31 1yek s THR 110 Ca -0.09 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 60.90 1yek s THR 110 Cb -0.16 -2.32 0.03 0.00 0.01 0.00 0.00 72.50 70.06 1yek s THR 110 CO 0.03 0.36 0.41 -0.69 -0.69 0.00 0.00 174.62 174.04 1yek s VAL 111 N 1.36 5.13 0.09 3.82 1.01 -1.26 0.34 120.40 130.89 1yek s VAL 111 Ca 0.03 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.27 1yek s VAL 111 Cb -0.15 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.25 1yek s VAL 111 CO -0.06 -0.44 0.58 -0.55 0.00 0.00 0.00 175.10 174.63 1yek s SER 112 N 1.91 -0.53 0.00 3.32 0.15 0.48 -4.91 113.70 114.12 1yek s SER 112 Ca 0.10 0.15 0.16 0.00 0.70 0.00 0.00 55.95 57.06 1yek s SER 112 Cb -0.18 0.55 -0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1yek s SER 112 CO 0.12 -0.83 0.87 -1.54 1.20 0.00 0.00 173.24 173.05 1yek n SER 113 N 0.06 1.66 -4.76 5.45 3.41 -1.26 -3.95 113.62 114.23 1yek n SER 113 Ca -0.18 -1.33 -0.38 0.00 -0.26 0.00 0.00 58.87 56.73 1yek n SER 113 Cb 0.62 0.46 0.02 0.00 -0.26 0.00 0.00 64.21 65.05 1yek n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yek s ALA 114 N -1.91 2.93 0.35 7.33 0.00 -1.26 -4.99 121.76 124.20 1yek s ALA 114 Ca 0.14 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 53.12 1yek s ALA 114 Cb 0.13 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1yek s ALA 114 CO 0.41 -1.06 0.78 -1.59 0.00 0.00 0.00 175.76 174.30 1yek s LYS 115 N -2.76 4.05 0.13 0.00 -2.85 -1.26 -5.01 119.74 112.04 1yek s LYS 115 Ca 0.67 0.76 -0.31 0.00 -1.00 0.00 0.00 55.97 56.09 1yek s LYS 115 Cb -0.36 -2.37 -0.08 0.00 -2.06 0.00 0.00 37.83 32.95 1yek s LYS 115 CO 0.43 0.11 1.41 0.99 0.10 0.00 0.00 175.35 178.39 1yek s THR 116 N -2.03 3.19 -0.02 3.79 2.01 -1.26 -4.73 115.64 116.58 1yek s THR 116 Ca 0.56 0.87 0.01 0.00 0.31 0.00 0.00 61.69 63.43 1yek s THR 116 Cb -0.10 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.87 1yek s THR 116 CO 0.17 0.07 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.26 1yek s THR 117 N 0.99 0.29 0.43 -0.82 2.01 -0.06 -4.92 115.64 113.56 1yek s THR 117 Ca 0.64 -0.06 -0.22 0.00 0.31 0.00 0.00 61.69 62.36 1yek s THR 117 Cb -0.38 -0.31 -0.10 0.00 0.01 0.00 0.00 72.50 71.72 1yek s THR 117 CO 0.31 0.13 1.00 0.00 -0.69 0.00 0.00 174.62 175.37 1yek s ALA 118 N 0.49 3.00 0.54 7.40 0.00 -1.26 -1.10 121.76 130.83 1yek s ALA 118 Ca -0.05 0.54 -0.07 0.00 0.00 0.00 0.00 51.96 52.38 1yek s ALA 118 Cb -0.08 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1yek s ALA 118 CO -0.01 -0.09 0.88 -1.25 0.00 0.00 0.00 175.76 175.29 1yek s PRO 119 N -2.96 3.51 -0.14 0.00 0.04 -1.26 -4.42 135.00 129.77 1yek s PRO 119 Ca 0.62 0.36 -0.05 0.00 0.04 0.00 0.00 61.00 61.98 1yek s PRO 119 Cb -0.15 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 1yek s PRO 119 CO 0.19 -0.37 0.02 -1.12 0.04 0.00 0.00 177.00 175.76 1yek s SER 120 N -4.15 5.30 -0.20 6.66 0.01 -0.52 -4.93 113.70 115.87 1yek s SER 120 Ca 0.50 0.06 -0.03 0.00 1.31 0.00 0.00 55.95 57.79 1yek s SER 120 Cb -0.11 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 1yek s SER 120 CO 0.48 0.25 -0.06 -0.69 0.41 0.00 0.00 173.24 173.63 1yek s VAL 121 N -0.08 3.32 -0.11 3.43 1.01 -1.26 -1.40 120.40 125.31 1yek s VAL 121 Ca 0.05 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1yek s VAL 121 Cb -0.13 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1yek s VAL 121 CO 0.02 0.45 -0.18 -0.31 0.00 0.00 0.00 175.10 175.08 1yek s TYR 122 N 1.23 2.68 0.26 5.22 2.02 0.92 -4.97 117.35 124.70 1yek s TYR 122 Ca 0.03 -0.74 -0.29 0.00 -0.37 0.00 0.00 57.07 55.69 1yek s TYR 122 Cb -0.14 -1.76 -0.09 0.00 -0.40 0.00 0.00 41.96 39.57 1yek s TYR 122 CO -0.02 -0.25 0.96 -1.25 -1.57 0.00 0.00 175.55 173.42 1yek s PRO 123 N 0.21 4.79 -0.34 -1.71 0.04 -1.26 -0.94 135.00 135.78 1yek s PRO 123 Ca -0.11 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.45 1yek s PRO 123 Cb -0.16 -3.19 0.09 0.00 0.04 0.00 0.00 34.50 31.28 1yek s PRO 123 CO 0.06 0.44 0.06 -0.51 0.04 0.00 0.00 177.00 177.09 1yek s LEU 124 N -1.35 4.60 -0.06 -3.56 1.43 -0.13 -4.92 118.68 114.69 1yek s LEU 124 Ca 0.43 -1.92 -0.04 0.00 -1.03 0.00 0.00 54.13 51.57 1yek s LEU 124 Cb -0.26 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1yek s LEU 124 CO 0.32 -0.38 0.15 0.00 0.23 0.00 0.00 176.35 176.67 1yek s ALA 125 N 1.03 3.88 0.95 4.21 0.00 -1.26 -0.92 121.76 129.65 1yek s ALA 125 Ca 0.06 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 1yek s ALA 125 Cb -0.20 -1.89 0.16 0.00 0.00 0.00 0.00 23.12 21.20 1yek s ALA 125 CO -0.06 0.69 1.09 -1.25 0.00 0.00 0.00 175.76 176.23 1yek s PRO 126 N -1.52 0.77 0.00 0.00 0.04 -1.26 -4.94 135.00 128.09 1yek s PRO 126 Ca 0.22 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1yek s PRO 126 Cb -0.12 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1yek s PRO 126 CO 0.12 -2.58 0.00 1.55 0.04 0.00 0.00 177.00 176.13 1yek n VAL 127 N -4.12 0.00 0.00 -0.36 3.14 -1.26 -4.85 118.33 110.88 1yek n VAL 127 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1yek n VAL 127 Cb 0.55 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 1yek n VAL 127 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yek n GLY 129 N 3.08 1.77 0.16 0.00 0.00 -1.26 -3.72 105.19 105.22 1yek n GLY 129 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1yek n GLY 129 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1yek h ASP 130 N 0.19 0.00 -2.71 1.61 3.04 -1.84 -3.31 116.42 113.40 1yek h ASP 130 Ca 0.00 0.00 -0.40 0.00 -3.24 0.00 0.00 57.03 53.39 1yek h ASP 130 Cb 0.87 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.11 1yek h ASP 130 CO 0.00 0.40 -0.48 0.41 -2.04 0.00 0.00 179.24 177.53 1yek n THR 131 N -3.21 -0.75 -1.76 1.15 -1.04 -1.24 -3.98 114.28 103.45 1yek n THR 131 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1yek n THR 131 Cb 0.69 -2.63 0.00 0.00 -1.82 0.00 0.00 70.33 66.56 1yek n THR 131 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1yek n THR 132 N -3.60 0.00 -2.88 12.58 -1.04 -1.26 -4.50 114.28 113.57 1yek n THR 132 Ca -0.23 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.71 1yek n THR 132 Cb 0.67 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.21 1yek n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yek n GLY 133 N 0.00 1.70 3.72 3.41 0.00 -1.26 -4.65 105.19 108.11 1yek n GLY 133 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1yek n GLY 133 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yek n SER 134 N -2.81 0.00 -4.12 1.61 2.88 -1.26 -4.81 113.62 105.11 1yek n SER 134 Ca 0.06 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.51 1yek n SER 134 Cb 0.20 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.56 1yek n SER 134 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1yek s SER 135 N -0.89 0.76 0.01 -3.46 1.04 -1.26 0.05 113.70 109.96 1yek s SER 135 Ca 0.00 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1yek s SER 135 Cb 0.00 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 1yek s SER 135 CO 0.00 -0.51 -0.02 0.54 0.98 0.00 0.00 173.24 174.23 1yek s VAL 136 N -3.56 0.07 -0.07 5.02 0.11 0.14 -4.34 120.40 117.77 1yek s VAL 136 Ca 0.07 -0.55 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 1yek s VAL 136 Cb 0.05 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.71 1yek s VAL 136 CO -0.07 -0.30 -0.15 0.42 -3.33 0.00 0.00 175.10 171.67 1yek s THR 137 N -0.88 2.92 0.36 5.04 -4.23 -1.25 -0.77 115.64 116.83 1yek s THR 137 Ca -0.10 -0.75 0.08 0.00 -1.18 0.00 0.00 61.69 59.74 1yek s THR 137 Cb -0.06 -2.16 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 1yek s THR 137 CO -0.01 0.57 0.12 -0.76 -0.54 0.00 0.00 174.62 174.00 1yek s LEU 138 N -0.33 3.14 0.21 4.79 2.01 0.03 -4.38 118.68 124.16 1yek s LEU 138 Ca 0.03 -0.93 -0.04 0.00 0.01 0.00 0.00 54.13 53.19 1yek s LEU 138 Cb -0.13 -1.54 -0.03 0.00 0.01 0.00 0.00 46.19 44.51 1yek s LEU 138 CO 0.02 -0.36 0.23 -0.83 1.01 0.00 0.00 176.35 176.43 1yek s GLY 139 N -3.83 1.18 -0.06 -3.19 0.00 -0.10 -1.22 107.32 100.09 1yek s GLY 139 Ca 0.38 -1.46 -0.02 0.00 0.00 0.00 0.00 44.72 43.62 1yek s GLY 139 CO 0.22 -1.17 0.11 0.00 0.00 0.00 0.00 173.10 172.26 1yek s LEU 141 N 1.93 3.18 -0.28 0.00 2.96 -0.12 -1.68 118.68 124.68 1yek s LEU 141 Ca 0.00 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1yek s LEU 141 Cb -0.12 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.78 1yek s LEU 141 CO -0.05 0.01 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.29 1yek s VAL 142 N 1.34 3.15 0.05 1.68 1.01 0.80 -0.06 120.40 128.37 1yek s VAL 142 Ca 0.04 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1yek s VAL 142 Cb -0.15 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1yek s VAL 142 CO 0.01 0.07 -0.02 -1.59 0.00 0.00 0.00 175.10 173.56 1yek s LYS 143 N 1.34 0.58 -0.35 2.72 -2.85 -0.49 -0.06 119.74 120.62 1yek s LYS 143 Ca -0.01 -1.13 -0.02 0.00 -1.00 0.00 0.00 55.97 53.81 1yek s LYS 143 Cb -0.18 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.79 1yek s LYS 143 CO -0.02 -0.11 0.22 0.41 0.10 0.00 0.00 175.35 175.96 1yek n GLY 144 N 0.31 0.50 3.51 0.59 0.00 -0.45 -1.44 105.19 108.20 1yek n GLY 144 Ca -0.15 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 1yek n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1yek s TYR 145 N -2.89 2.50 -0.21 1.61 -0.85 -1.12 -4.36 117.35 112.03 1yek s TYR 145 Ca 0.11 -0.28 -0.16 0.00 -0.52 0.00 0.00 57.07 56.23 1yek s TYR 145 Cb -0.05 -1.22 0.06 0.00 0.38 0.00 0.00 41.96 41.13 1yek s TYR 145 CO 0.14 0.51 0.53 0.12 -1.52 0.00 0.00 175.55 175.33 1yek s PHE 146 N -1.71 -0.67 0.00 -3.49 5.36 -0.26 -0.71 117.98 116.50 1yek s PHE 146 Ca 0.23 1.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.71 1yek s PHE 146 Cb -0.08 0.29 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 1yek s PHE 146 CO 0.13 -0.34 0.00 -0.35 -1.46 0.00 0.00 175.22 173.20 1yek n PRO 147 N 3.40 1.76 -2.18 10.12 -0.04 -1.26 -0.88 135.00 145.91 1yek n PRO 147 Ca -0.17 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.98 1yek n PRO 147 Cb 0.56 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.01 1yek n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1yek s GLU 148 N -0.19 3.76 0.49 0.54 0.41 -1.26 -4.75 118.70 117.70 1yek s GLU 148 Ca 0.00 0.81 0.08 0.00 -0.41 0.00 0.00 54.97 55.45 1yek s GLU 148 Cb 0.00 -2.13 0.03 0.00 -1.78 0.00 0.00 34.13 30.25 1yek s GLU 148 CO 0.00 -0.40 0.54 -1.25 -0.49 0.00 0.00 175.26 173.66 1yek s PRO 149 N -4.61 2.48 0.11 0.39 0.04 -1.26 -4.94 135.00 127.21 1yek s PRO 149 Ca 0.56 -1.60 0.08 0.00 0.04 0.00 0.00 61.00 60.08 1yek s PRO 149 Cb -0.10 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1yek s PRO 149 CO 0.42 -0.48 -0.20 0.08 0.04 0.00 0.00 177.00 176.87 1yek s VAL 150 N -2.56 1.66 -0.18 -0.36 1.01 -1.26 -4.37 120.40 114.34 1yek s VAL 150 Ca 0.51 -1.59 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1yek s VAL 150 Cb -0.05 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1yek s VAL 150 CO 0.31 -0.13 -0.10 -0.89 0.00 0.00 0.00 175.10 174.28 1yek s THR 151 N -1.36 3.02 -0.08 3.92 2.01 0.18 -4.93 115.64 118.40 1yek s THR 151 Ca 0.07 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1yek s THR 151 Cb -0.09 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.11 1yek s THR 151 CO 0.04 0.48 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.11 1yek s LEU 152 N 1.01 1.61 0.26 4.42 0.20 -1.25 -0.03 118.68 124.90 1yek s LEU 152 Ca -0.01 -0.34 0.01 0.00 0.69 0.00 0.00 54.13 54.49 1yek s LEU 152 Cb -0.15 -0.91 -0.04 0.00 -0.43 0.00 0.00 46.19 44.66 1yek s LEU 152 CO -0.01 0.01 0.13 0.42 -0.29 0.00 0.00 176.35 176.61 1yek s THR 154 N 0.87 0.33 -0.05 3.68 -4.23 0.27 -4.97 115.64 111.55 1yek s THR 154 Ca -0.10 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.45 1yek s THR 154 Cb -0.15 -2.56 -0.00 0.00 1.34 0.00 0.00 72.50 71.12 1yek s THR 154 CO 0.01 0.00 -0.19 0.26 -0.54 0.00 0.00 174.62 174.16 1yek s TRP 155 N -3.81 1.84 -1.44 3.99 0.52 -1.26 -0.07 118.94 118.71 1yek s TRP 155 Ca 0.38 -0.53 -0.01 0.00 0.02 0.00 0.00 56.10 55.96 1yek s TRP 155 Cb 0.07 -1.23 0.00 0.00 -1.15 0.00 0.00 33.47 31.15 1yek s TRP 155 CO 0.15 -0.17 0.29 0.09 0.02 0.00 0.00 176.95 177.32 1yek n ASN 160 N 3.10 -0.02 -3.25 2.95 4.13 0.27 -0.93 115.26 121.51 1yek n ASN 160 Ca -0.18 -1.10 -0.22 0.00 1.68 0.00 0.00 54.58 54.76 1yek n ASN 160 Cb 0.53 -2.57 0.00 0.00 -1.54 0.00 0.00 39.78 36.20 1yek n ASN 160 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1yek n SER 161 N -2.94 -4.04 0.00 6.41 7.64 -1.26 -0.67 113.62 118.76 1yek n SER 161 Ca -0.31 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1yek n SER 161 Cb 0.69 -3.33 0.00 0.00 -1.01 0.00 0.00 64.21 60.56 1yek n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yek n GLY 162 N -1.19 3.36 0.28 0.23 0.00 -0.11 -4.90 105.19 102.87 1yek n GLY 162 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.99 1yek n GLY 162 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1yek h SER 163 N 0.00 0.61 -3.06 1.61 0.02 -0.89 -3.36 113.55 108.48 1yek h SER 163 Ca 0.00 0.04 -0.68 0.00 -0.84 0.00 0.00 61.79 60.31 1yek h SER 163 Cb 0.00 -0.08 -0.18 0.00 0.14 0.00 0.00 62.40 62.28 1yek h SER 163 CO 0.00 0.37 0.14 -0.22 -1.14 0.00 0.00 176.83 175.98 1yek s LEU 164 N -10.27 5.05 0.00 5.07 2.96 -1.13 -4.82 118.68 115.55 1yek s LEU 164 Ca -0.13 -1.11 0.00 0.00 -0.22 0.00 0.00 54.13 52.68 1yek s LEU 164 Cb 0.18 -2.40 0.00 0.00 0.50 0.00 0.00 46.19 44.46 1yek s LEU 164 CO 0.77 -1.04 0.09 -1.54 -1.32 0.00 0.00 176.35 173.31 1yek n SER 165 N 6.42 0.17 -4.80 3.68 3.41 -1.26 -4.29 113.62 116.95 1yek n SER 165 Ca -0.07 -0.56 -0.36 0.00 -0.26 0.00 0.00 58.87 57.62 1yek n SER 165 Cb 0.44 0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 65.07 1yek n SER 165 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1yek s SER 166 N -0.75 6.10 0.00 4.04 0.01 -1.26 -4.25 113.70 117.59 1yek s SER 166 Ca 0.00 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1yek s SER 166 Cb 0.00 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1yek s SER 166 CO 0.00 0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.61 1yek n GLY 167 N 2.39 0.47 3.73 3.44 0.00 -1.26 -4.73 105.19 109.23 1yek n GLY 167 Ca -0.19 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1yek n GLY 167 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yek s VAL 169 N -2.00 4.57 -0.16 1.61 -7.23 -1.26 -1.09 120.40 114.84 1yek s VAL 169 Ca 0.00 -0.22 -0.00 0.00 -1.81 0.00 0.00 61.98 59.95 1yek s VAL 169 Cb 0.00 -2.97 0.04 0.00 0.56 0.00 0.00 36.38 34.01 1yek s VAL 169 CO 0.00 0.55 -0.07 -1.00 -0.31 0.00 0.00 175.10 174.27 1yek s HIS 170 N -0.97 1.80 -0.28 2.82 3.76 0.43 -4.96 115.29 117.89 1yek s HIS 170 Ca 0.16 -1.12 -0.08 0.00 -0.15 0.00 0.00 55.06 53.87 1yek s HIS 170 Cb -0.12 -1.37 -0.01 0.00 1.11 0.00 0.00 32.58 32.20 1yek s HIS 170 CO 0.05 -0.62 0.09 0.99 -0.85 0.00 0.00 174.74 174.40 1yek s THR 171 N 1.60 4.27 0.22 1.30 2.01 -1.26 -0.57 115.64 123.21 1yek s THR 171 Ca 0.01 -0.38 -0.20 0.00 0.31 0.00 0.00 61.69 61.43 1yek s THR 171 Cb -0.15 -3.10 -0.08 0.00 0.01 0.00 0.00 72.50 69.18 1yek s THR 171 CO -0.08 0.21 0.73 -0.36 -0.69 0.00 0.00 174.62 174.42 1yek s PHE 172 N 1.58 3.68 0.31 4.92 0.40 -0.25 -5.01 117.98 123.60 1yek s PHE 172 Ca 0.05 1.42 -0.29 0.00 -0.60 0.00 0.00 56.93 57.50 1yek s PHE 172 Cb -0.16 -2.63 -0.11 0.00 0.51 0.00 0.00 43.02 40.62 1yek s PHE 172 CO 0.04 0.36 1.52 -2.14 0.70 0.00 0.00 175.22 175.69 1yek s PRO 173 N -1.88 4.16 0.47 0.24 0.02 -1.26 -4.31 135.00 132.44 1yek s PRO 173 Ca 0.42 2.51 -0.23 0.00 0.02 0.00 0.00 61.00 63.72 1yek s PRO 173 Cb -0.17 -3.02 -0.07 0.00 0.02 0.00 0.00 34.50 31.25 1yek s PRO 173 CO 0.21 -0.54 1.28 0.00 -0.33 0.00 0.00 177.00 177.62 1yek s ALA 174 N -0.40 3.00 -0.09 -1.55 0.00 -1.26 -4.86 121.76 116.61 1yek s ALA 174 Ca 0.59 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.75 1yek s ALA 174 Cb -0.46 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1yek s ALA 174 CO 0.52 -0.96 -0.22 0.08 0.00 0.00 0.00 175.76 175.17 1yek s VAL 175 N -1.38 1.92 0.06 0.00 1.01 -0.53 -4.92 120.40 116.56 1yek s VAL 175 Ca 0.64 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 1yek s VAL 175 Cb -0.36 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.30 1yek s VAL 175 CO 0.44 0.53 0.73 -0.22 0.00 0.00 0.00 175.10 176.58 1yek s LEU 176 N 0.33 4.47 -0.23 3.92 0.20 -1.26 -2.05 118.68 124.06 1yek s LEU 176 Ca -0.17 1.42 -0.08 0.00 0.69 0.00 0.00 54.13 56.00 1yek s LEU 176 Cb -0.17 -3.18 0.10 0.00 -0.43 0.00 0.00 46.19 42.51 1yek s LEU 176 CO 0.08 0.07 0.48 -1.10 -0.29 0.00 0.00 176.35 175.59 1yek s GLN 177 N -0.28 0.40 -1.34 1.98 -0.21 0.13 -4.95 119.66 115.40 1yek s GLN 177 Ca 0.37 1.14 -0.03 0.00 0.02 0.00 0.00 55.36 56.85 1yek s GLN 177 Cb -0.20 0.45 0.02 0.00 1.00 0.00 0.00 33.01 34.28 1yek s GLN 177 CO 0.22 -0.23 0.83 0.43 -2.12 0.00 0.00 175.29 174.42 1yek n SER 178 N 5.33 -2.30 0.00 5.90 7.64 -1.26 -2.08 113.62 126.86 1yek n SER 178 Ca -0.10 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1yek n SER 178 Cb 0.50 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.44 1yek n SER 178 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1yek n ASP 181 N -3.03 -4.07 -4.07 6.43 8.00 -1.26 -4.99 116.55 113.57 1yek n ASP 181 Ca -0.22 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.11 1yek n ASP 181 Cb 0.64 -2.05 -0.13 0.00 -0.02 0.00 0.00 41.12 39.56 1yek n ASP 181 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1yek s LEU 182 N 0.00 2.13 0.28 0.64 1.43 -0.88 -4.77 118.68 117.51 1yek s LEU 182 Ca 0.00 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1yek s LEU 182 Cb 0.00 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 1yek s LEU 182 CO 0.00 0.00 0.46 -0.31 0.23 0.00 0.00 176.35 176.73 1yek s TYR 183 N -0.70 3.48 -0.01 0.29 2.02 0.11 -0.70 117.35 121.84 1yek s TYR 183 Ca -0.00 0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.98 1yek s TYR 183 Cb -0.06 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.69 1yek s TYR 183 CO 0.00 0.27 -0.03 0.99 -1.57 0.00 0.00 175.55 175.22 1yek s THR 184 N -2.10 0.29 0.02 -0.71 2.01 -0.87 -1.35 115.64 112.93 1yek s THR 184 Ca 0.38 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1yek s THR 184 Cb -0.10 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1yek s THR 184 CO 0.32 0.12 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.12 1yek s LEU 185 N 0.34 2.18 0.05 4.42 0.20 0.92 -1.46 118.68 125.32 1yek s LEU 185 Ca -0.03 -0.37 -0.03 0.00 0.69 0.00 0.00 54.13 54.38 1yek s LEU 185 Cb -0.06 0.03 -0.02 0.00 -0.43 0.00 0.00 46.19 45.70 1yek s LEU 185 CO -0.01 -0.20 0.03 -0.94 -0.29 0.00 0.00 176.35 174.94 1yek s SER 186 N -1.08 0.32 -0.07 3.68 1.04 -1.26 -0.14 113.70 116.19 1yek s SER 186 Ca -0.11 -0.75 -0.07 0.00 0.48 0.00 0.00 55.95 55.50 1yek s SER 186 Cb -0.07 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.27 1yek s SER 186 CO -0.01 -0.54 0.21 -0.55 0.98 0.00 0.00 173.24 173.33 1yek s SER 187 N -2.45 -0.20 0.19 7.02 0.15 -0.68 -1.10 113.70 116.63 1yek s SER 187 Ca -0.00 0.38 0.11 0.00 0.70 0.00 0.00 55.95 57.14 1yek s SER 187 Cb 0.02 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1yek s SER 187 CO -0.07 -0.10 -0.21 -0.94 1.20 0.00 0.00 173.24 173.12 1yek s SER 188 N -0.00 3.61 -0.02 5.45 1.04 0.27 -1.06 113.70 122.99 1yek s SER 188 Ca -0.01 -0.80 -0.00 0.00 0.48 0.00 0.00 55.95 55.62 1yek s SER 188 Cb -0.02 -0.36 0.03 0.00 0.10 0.00 0.00 66.02 65.78 1yek s SER 188 CO 0.00 0.12 0.04 0.54 0.98 0.00 0.00 173.24 174.92 1yek s VAL 189 N -1.64 -0.07 -0.23 5.02 0.11 -0.36 -0.43 120.40 122.80 1yek s VAL 189 Ca 0.21 0.25 -0.06 0.00 -2.93 0.00 0.00 61.98 59.46 1yek s VAL 189 Cb -0.08 -0.09 -0.02 0.00 -1.53 0.00 0.00 36.38 34.65 1yek s VAL 189 CO 0.11 0.10 0.02 -0.89 -3.33 0.00 0.00 175.10 171.11 1yek s THR 190 N 1.25 3.96 0.36 5.04 2.01 -0.25 -0.79 115.64 127.23 1yek s THR 190 Ca -0.07 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.68 1yek s THR 190 Cb -0.13 -2.83 -0.07 0.00 0.01 0.00 0.00 72.50 69.49 1yek s THR 190 CO -0.03 0.38 0.04 0.68 -0.69 0.00 0.00 174.62 175.00 1yek s VAL 191 N 1.46 1.47 0.55 3.82 -7.23 0.05 -4.75 120.40 115.77 1yek s VAL 191 Ca 0.05 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.07 1yek s VAL 191 Cb -0.15 -2.85 -0.06 0.00 0.56 0.00 0.00 36.38 33.89 1yek s VAL 191 CO 0.01 0.00 1.01 0.42 -0.31 0.00 0.00 175.10 176.23 1yek s THR 192 N -3.07 4.34 0.54 5.32 -4.23 -1.26 0.28 115.64 117.56 1yek s THR 192 Ca 0.35 1.07 0.23 0.00 -1.18 0.00 0.00 61.69 62.16 1yek s THR 192 Cb 0.09 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.65 1yek s THR 192 CO 0.16 -0.69 2.06 0.28 -0.54 0.00 0.00 174.62 175.90 1yek h SER 193 N 0.63 0.00 0.66 3.99 0.02 -0.66 -0.77 113.55 117.42 1yek h SER 193 Ca -0.46 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 1yek h SER 193 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1yek h SER 193 CO 0.60 0.00 -0.17 0.28 -1.14 0.00 0.00 176.83 176.40 1yek h SER 194 N 0.00 0.00 0.00 3.07 0.02 -1.91 -3.30 113.55 111.43 1yek h SER 194 Ca 0.15 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 1yek h SER 194 Cb 0.62 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1yek h SER 194 CO -0.00 0.17 -0.54 0.71 -1.14 0.00 0.00 176.83 176.03 1yek h THR 196 N 0.00 1.03 -3.21 -2.27 1.35 -1.51 -3.43 112.91 104.88 1yek h THR 196 Ca -0.00 -1.96 -0.67 0.00 -0.55 0.00 0.00 66.41 63.23 1yek h THR 196 Cb 0.55 2.13 -0.13 0.00 -1.73 0.00 0.00 68.15 68.97 1yek h THR 196 CO 0.02 0.35 -0.60 0.86 -0.25 0.00 0.00 175.52 175.90 1yek s TRP 197 N -2.19 3.22 -2.10 4.73 -0.00 -1.20 0.34 118.94 121.73 1yek s TRP 197 Ca -0.20 0.21 0.25 0.00 -0.00 0.00 0.00 56.10 56.37 1yek s TRP 197 Cb 0.01 -1.77 1.37 0.00 -0.00 0.00 0.00 33.47 33.08 1yek s TRP 197 CO 0.51 0.52 1.90 -2.30 -0.00 0.00 0.00 176.95 177.58 1yek n PRO 198 N 1.77 1.18 -0.16 5.86 -0.02 -1.26 -4.71 135.00 137.66 1yek n PRO 198 Ca -0.17 -0.27 -0.12 0.00 -2.02 0.00 0.00 63.50 60.92 1yek n PRO 198 Cb 0.53 -1.41 -0.09 0.00 -0.02 0.00 0.00 33.50 32.51 1yek n PRO 198 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1yek h SER 200 N 0.60 -1.71 -3.22 2.55 0.02 -1.72 -3.40 113.55 106.67 1yek h SER 200 Ca 0.00 0.23 -0.65 0.00 -0.84 0.00 0.00 61.79 60.53 1yek h SER 200 Cb 0.13 0.71 -0.11 0.00 0.14 0.00 0.00 62.40 63.27 1yek h SER 200 CO 0.00 -0.34 -0.61 0.00 -1.14 0.00 0.00 176.83 174.74 1yek s GLN 201 N -5.34 2.86 0.21 3.45 1.03 0.15 -5.09 119.66 116.93 1yek s GLN 201 Ca -0.13 -0.64 -0.30 0.00 0.04 0.00 0.00 55.36 54.34 1yek s GLN 201 Cb 0.08 -2.72 -0.08 0.00 0.03 0.00 0.00 33.01 30.31 1yek s GLN 201 CO 0.55 0.60 1.06 -1.54 -2.54 0.00 0.00 175.29 173.42 1yek s SER 202 N -2.04 7.35 -0.14 12.60 1.04 -1.26 -4.45 113.70 126.80 1yek s SER 202 Ca 0.25 2.09 -0.01 0.00 0.48 0.00 0.00 55.95 58.77 1yek s SER 202 Cb -0.12 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.37 1yek s SER 202 CO 0.17 -0.12 -0.11 -0.63 0.98 0.00 0.00 173.24 173.53 1yek s ILE 203 N -0.64 3.20 -0.02 -1.02 -1.09 -1.26 -4.99 121.20 115.38 1yek s ILE 203 Ca 0.46 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 58.32 1yek s ILE 203 Cb -0.29 -2.36 -0.01 0.00 -1.58 0.00 0.00 42.46 38.22 1yek s ILE 203 CO 0.36 0.51 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.56 1yek s THR 204 N 0.45 1.06 -0.23 2.92 2.01 -1.26 -2.28 115.64 118.31 1yek s THR 204 Ca -0.08 -0.55 -0.12 0.00 0.31 0.00 0.00 61.69 61.25 1yek s THR 204 Cb -0.15 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 1yek s THR 204 CO 0.04 0.31 0.23 0.00 -0.69 0.00 0.00 174.62 174.51 1yek s ASN 207 N 1.07 4.55 -0.01 0.00 -0.87 0.90 -0.50 114.94 120.08 1yek s ASN 207 Ca 0.11 -0.22 0.04 0.00 -1.57 0.00 0.00 52.86 51.21 1yek s ASN 207 Cb -0.14 -1.74 -0.01 0.00 -0.02 0.00 0.00 41.25 39.34 1yek s ASN 207 CO 0.06 0.12 -0.12 -0.69 -2.57 0.00 0.00 177.10 173.90 1yek s VAL 208 N 0.62 0.98 -0.03 1.60 1.01 0.48 -0.56 120.40 124.50 1yek s VAL 208 Ca -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1yek s VAL 208 Cb -0.15 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1yek s VAL 208 CO 0.03 0.28 -0.05 0.00 0.00 0.00 0.00 175.10 175.36 1yek s ALA 209 N -0.22 0.60 -0.48 5.51 0.00 0.95 -0.28 121.76 127.84 1yek s ALA 209 Ca 0.03 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.92 1yek s ALA 209 Cb -0.06 -0.31 0.13 0.00 0.00 0.00 0.00 23.12 22.89 1yek s ALA 209 CO -0.00 0.04 0.25 -1.58 0.00 0.00 0.00 175.76 174.47 1yek s HIS 210 N 0.54 2.58 0.22 0.00 2.46 0.61 0.49 115.29 122.20 1yek s HIS 210 Ca -0.07 -2.80 -0.10 0.00 0.47 0.00 0.00 55.06 52.56 1yek s HIS 210 Cb -0.10 -2.35 0.32 0.00 -0.13 0.00 0.00 32.58 30.32 1yek s HIS 210 CO -0.00 -0.76 1.66 -1.00 -2.47 0.00 0.00 174.74 172.17 1yek h PRO 211 N 6.60 0.11 -0.97 2.88 0.13 -1.80 -1.51 132.00 137.44 1yek h PRO 211 Ca -0.04 -0.01 0.28 0.00 -0.87 0.00 0.00 66.00 65.36 1yek h PRO 211 Cb 0.91 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.97 1yek h PRO 211 CO 0.59 0.07 0.70 0.00 -0.23 0.00 0.00 178.00 179.13 1yek h ALA 212 N 1.59 2.92 -0.11 -0.56 0.00 -1.92 0.75 119.26 121.94 1yek h ALA 212 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1yek h ALA 212 Cb 0.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1yek h ALA 212 CO -0.56 -1.20 0.00 -1.13 0.00 0.00 0.00 179.25 176.36 1yek n SER 213 N -4.24 2.20 -3.70 0.00 3.41 -0.89 -5.00 113.62 105.40 1yek n SER 213 Ca 0.20 -1.89 -0.25 0.00 -0.26 0.00 0.00 58.87 56.67 1yek n SER 213 Cb 1.04 -0.07 0.06 0.00 -0.26 0.00 0.00 64.21 64.98 1yek n SER 213 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1yek n SER 214 N -0.10 -4.65 -4.62 4.04 7.64 0.25 -4.98 113.62 111.20 1yek n SER 214 Ca 0.04 -0.67 -0.34 0.00 1.01 0.00 0.00 58.87 58.90 1yek n SER 214 Cb 0.28 -4.52 -0.10 0.00 -1.01 0.00 0.00 64.21 58.86 1yek n SER 214 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1yek s THR 215 N -3.36 4.47 -0.08 0.44 2.01 -0.84 -4.98 115.64 113.30 1yek s THR 215 Ca 0.47 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 1yek s THR 215 Cb -0.22 -2.97 0.04 0.00 0.01 0.00 0.00 72.50 69.35 1yek s THR 215 CO 0.78 0.51 0.05 -0.75 -0.69 0.00 0.00 174.62 174.51 1yek s LYS 216 N 0.05 0.15 -0.00 4.92 2.47 -1.26 -0.29 119.74 125.78 1yek s LYS 216 Ca 0.03 0.20 0.00 0.00 -1.56 0.00 0.00 55.97 54.65 1yek s LYS 216 Cb -0.13 -0.91 0.00 0.00 -1.46 0.00 0.00 37.83 35.34 1yek s LYS 216 CO 0.01 -0.39 -0.01 0.54 0.16 0.00 0.00 175.35 175.67 1yek s VAL 217 N 2.10 0.07 -0.18 4.02 0.11 0.61 -4.99 120.40 122.14 1yek s VAL 217 Ca 0.04 -0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.07 1yek s VAL 217 Cb -0.13 -0.08 -0.00 0.00 -1.53 0.00 0.00 36.38 34.64 1yek s VAL 217 CO -0.05 0.03 -0.12 -1.81 -3.33 0.00 0.00 175.10 169.83 1yek s ASP 218 N 0.11 3.87 -0.12 3.54 1.01 -1.26 -0.38 116.67 123.44 1yek s ASP 218 Ca -0.01 -0.44 0.02 0.00 0.71 0.00 0.00 52.55 52.83 1yek s ASP 218 Cb -0.02 -1.62 -0.01 0.00 1.01 0.00 0.00 42.92 42.28 1yek s ASP 218 CO -0.00 0.05 -0.18 -0.54 0.21 0.00 0.00 175.17 174.71 1yek s LYS 219 N 1.03 3.23 -0.14 8.23 -0.14 0.35 -4.96 119.74 127.35 1yek s LYS 219 Ca -0.01 -0.77 -0.14 0.00 -1.36 0.00 0.00 55.97 53.70 1yek s LYS 219 Cb -0.15 -2.49 -0.05 0.00 -1.68 0.00 0.00 37.83 33.47 1yek s LYS 219 CO -0.02 0.19 0.30 0.21 -0.76 0.00 0.00 175.35 175.27 1yek s LYS 220 N 0.36 4.15 -0.59 1.68 2.20 -1.26 -0.29 119.74 125.99 1yek s LYS 220 Ca -0.14 0.13 -0.24 0.00 -0.36 0.00 0.00 55.97 55.35 1yek s LYS 220 Cb -0.17 -3.38 0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1yek s LYS 220 CO 0.07 0.33 0.99 0.42 -0.36 0.00 0.00 175.35 176.80 1yek s ILE 221 N 0.16 4.30 0.24 5.43 -1.09 -0.97 -4.90 121.20 124.37 1yek s ILE 221 Ca 0.18 0.21 0.04 0.00 -2.23 0.00 0.00 60.65 58.84 1yek s ILE 221 Cb -0.13 -4.61 -0.03 0.00 -1.58 0.00 0.00 42.46 36.10 1yek s ILE 221 CO 0.05 -1.26 0.38 -1.61 -1.23 0.00 0.00 174.94 171.28 1yek s GLU 222 N 4.18 3.45 0.00 2.79 0.41 -1.26 -4.68 118.70 123.59 1yek s GLU 222 Ca 0.30 -0.64 0.26 0.00 -0.41 0.00 0.00 54.97 54.48 1yek s GLU 222 Cb -0.13 -2.86 1.56 0.00 -1.78 0.00 0.00 34.13 30.92 1yek s GLU 222 CO 0.18 0.40 1.91 -2.30 -0.49 0.00 0.00 175.26 174.96