#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lk3 n VAL 2 N 0.00 0.00 -3.77 5.09 0.31 -1.26 -4.00 118.33 114.70 1lk3 n VAL 2 Ca 0.00 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 1lk3 n VAL 2 Cb 0.00 -1.79 -0.11 0.00 -0.91 0.00 0.00 33.84 31.03 1lk3 n VAL 2 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1lk3 s ASN 3 N 1.05 -0.31 -0.20 4.52 2.47 0.22 -4.98 114.94 117.71 1lk3 s ASN 3 Ca 0.77 0.59 -0.00 0.00 0.42 0.00 0.00 52.86 54.64 1lk3 s ASN 3 Cb -0.58 0.61 0.05 0.00 -1.45 0.00 0.00 41.25 39.88 1lk3 s ASN 3 CO 0.35 -0.11 -0.05 -0.76 -3.72 0.00 0.00 177.10 172.81 1lk3 s LEU 4 N 0.13 2.01 -0.34 3.21 1.43 -1.26 -1.52 118.68 122.34 1lk3 s LEU 4 Ca -0.00 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 52.09 1lk3 s LEU 4 Cb -0.02 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.18 1lk3 s LEU 4 CO 0.00 -0.21 0.18 -0.22 0.23 0.00 0.00 176.35 176.34 1lk3 s LEU 5 N 1.54 4.36 0.18 1.79 2.96 0.25 -3.74 118.68 126.02 1lk3 s LEU 5 Ca -0.02 -0.65 -0.02 0.00 -0.22 0.00 0.00 54.13 53.22 1lk3 s LEU 5 Cb -0.17 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 1lk3 s LEU 5 CO -0.07 -0.26 0.39 -1.10 -1.32 0.00 0.00 176.35 173.99 1lk3 s GLN 6 N 1.61 3.56 0.97 1.98 -0.21 -1.26 -0.03 119.66 126.28 1lk3 s GLN 6 Ca 0.04 -0.24 -0.11 0.00 0.02 0.00 0.00 55.36 55.07 1lk3 s GLN 6 Cb -0.18 -2.84 0.18 0.00 1.00 0.00 0.00 33.01 31.17 1lk3 s GLN 6 CO 0.07 0.42 1.09 -1.54 -2.12 0.00 0.00 175.29 173.20 1lk3 s SER 7 N -2.90 2.63 0.85 5.90 1.04 -0.88 -4.99 113.70 115.34 1lk3 s SER 7 Ca 0.40 1.70 -0.12 0.00 0.48 0.00 0.00 55.95 58.40 1lk3 s SER 7 Cb -0.11 -2.33 0.10 0.00 0.10 0.00 0.00 66.02 63.78 1lk3 s SER 7 CO 0.28 -3.20 1.12 -0.83 0.98 0.00 0.00 173.24 171.58 1lk3 s GLY 8 N -2.96 1.60 0.69 7.32 0.00 -1.26 -4.66 107.32 108.04 1lk3 s GLY 8 Ca 0.66 -0.37 -0.17 0.00 0.00 0.00 0.00 44.72 44.84 1lk3 s GLY 8 CO 0.59 0.12 0.61 0.00 0.00 0.00 0.00 173.10 174.42 1lk3 n ALA 9 N -3.58 -1.17 -2.85 3.20 0.00 -1.26 -4.80 120.51 110.05 1lk3 n ALA 9 Ca 0.07 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1lk3 n ALA 9 Cb 0.58 -1.90 -0.14 0.00 0.00 0.00 0.00 19.45 17.99 1lk3 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lk3 s ALA 10 N -1.84 0.16 -0.19 0.00 0.00 -0.31 -4.99 121.76 114.59 1lk3 s ALA 10 Ca 0.68 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 1lk3 s ALA 10 Cb -0.37 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 1lk3 s ALA 10 CO 0.56 0.01 -0.09 -1.17 0.00 0.00 0.00 175.76 175.07 1lk3 s LEU 11 N -0.24 2.72 0.00 0.00 2.96 -1.26 -0.71 118.68 122.15 1lk3 s LEU 11 Ca -0.01 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1lk3 s LEU 11 Cb -0.02 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 1lk3 s LEU 11 CO -0.00 0.03 -0.14 0.68 -1.32 0.00 0.00 176.35 175.60 1lk3 s VAL 12 N 1.17 1.10 0.49 1.68 -7.23 -0.04 -4.99 120.40 112.59 1lk3 s VAL 12 Ca 0.02 -0.72 -0.20 0.00 -1.81 0.00 0.00 61.98 59.27 1lk3 s VAL 12 Cb -0.14 -0.94 -0.08 0.00 0.56 0.00 0.00 36.38 35.77 1lk3 s VAL 12 CO -0.03 0.22 1.05 -0.54 -0.31 0.00 0.00 175.10 175.49 1lk3 s LYS 13 N -0.57 3.74 0.35 4.82 -0.14 -1.25 -0.61 119.74 126.08 1lk3 s LYS 13 Ca 0.04 1.40 -0.29 0.00 -1.36 0.00 0.00 55.97 55.77 1lk3 s LYS 13 Cb -0.06 -2.09 -0.11 0.00 -1.68 0.00 0.00 37.83 33.89 1lk3 s LYS 13 CO 0.00 -0.49 1.49 -2.14 -0.76 0.00 0.00 175.35 173.45 1lk3 s PRO 14 N -3.22 4.14 0.00 -1.68 0.02 -1.26 -1.70 135.00 131.30 1lk3 s PRO 14 Ca 0.68 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.23 1lk3 s PRO 14 Cb -0.18 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1lk3 s PRO 14 CO 0.21 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 1lk3 n GLY 15 N 0.89 3.29 3.96 0.52 0.00 0.16 -4.94 105.19 109.07 1lk3 n GLY 15 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1lk3 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lk3 s ALA 16 N -2.17 2.87 0.33 4.61 0.00 -0.69 -4.16 121.76 122.55 1lk3 s ALA 16 Ca 0.00 -1.47 0.06 0.00 0.00 0.00 0.00 51.96 50.55 1lk3 s ALA 16 Cb 0.00 -2.42 -0.06 0.00 0.00 0.00 0.00 23.12 20.63 1lk3 s ALA 16 CO 0.00 -2.05 -0.01 -1.12 0.00 0.00 0.00 175.76 172.58 1lk3 s SER 17 N -4.84 2.97 -0.10 0.00 0.01 -1.26 -1.40 113.70 109.07 1lk3 s SER 17 Ca 0.71 -1.28 -0.17 0.00 1.31 0.00 0.00 55.95 56.52 1lk3 s SER 17 Cb -0.04 -0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.02 1lk3 s SER 17 CO 0.49 -0.43 0.42 0.54 0.41 0.00 0.00 173.24 174.68 1lk3 s VAL 18 N -2.99 0.02 -0.21 3.43 0.11 -0.49 -4.99 120.40 115.27 1lk3 s VAL 18 Ca 0.33 -0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.25 1lk3 s VAL 18 Cb 0.06 -0.65 0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1lk3 s VAL 18 CO 0.15 -0.08 -0.16 -0.75 -3.33 0.00 0.00 175.10 170.92 1lk3 s LYS 19 N -0.41 2.66 0.12 1.54 2.20 -1.26 -0.31 119.74 124.28 1lk3 s LYS 19 Ca -0.05 -0.98 -0.06 0.00 -0.36 0.00 0.00 55.97 54.51 1lk3 s LYS 19 Cb -0.03 -2.64 -0.06 0.00 -1.51 0.00 0.00 37.83 33.59 1lk3 s LYS 19 CO 0.03 -0.34 0.38 -0.51 -0.36 0.00 0.00 175.35 174.55 1lk3 s LEU 20 N 1.25 4.29 0.18 5.43 1.02 0.99 -4.91 118.68 126.93 1lk3 s LEU 20 Ca 0.00 0.65 0.10 0.00 0.02 0.00 0.00 54.13 54.90 1lk3 s LEU 20 Cb -0.15 -3.20 -0.04 0.00 0.02 0.00 0.00 46.19 42.82 1lk3 s LEU 20 CO -0.10 0.09 -0.21 -0.94 0.02 0.00 0.00 176.35 175.21 1lk3 s SER 21 N -2.21 3.06 -0.28 2.29 1.04 -1.26 -0.44 113.70 115.90 1lk3 s SER 21 Ca 0.38 -0.87 -0.03 0.00 0.48 0.00 0.00 55.95 55.91 1lk3 s SER 21 Cb -0.13 -0.21 0.10 0.00 0.10 0.00 0.00 66.02 65.88 1lk3 s SER 21 CO 0.22 0.04 0.12 0.00 0.98 0.00 0.00 173.24 174.60 1lk3 s LYS 23 N 2.01 3.66 0.30 0.00 2.47 0.96 -1.11 119.74 128.03 1lk3 s LYS 23 Ca 0.08 0.32 -0.02 0.00 -1.56 0.00 0.00 55.97 54.79 1lk3 s LYS 23 Cb -0.16 -3.87 -0.04 0.00 -1.46 0.00 0.00 37.83 32.29 1lk3 s LYS 23 CO -0.32 -1.09 0.53 0.00 0.16 0.00 0.00 175.35 174.64 1lk3 s ALA 24 N 3.58 3.68 -0.07 3.13 0.00 -0.39 -0.58 121.76 131.11 1lk3 s ALA 24 Ca 0.37 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 1lk3 s ALA 24 Cb -0.11 -2.19 0.11 0.00 0.00 0.00 0.00 23.12 20.93 1lk3 s ALA 24 CO 0.23 0.16 0.98 -1.54 0.00 0.00 0.00 175.76 175.59 1lk3 s SER 25 N -3.50 -0.31 0.00 0.00 1.04 -0.58 -4.88 113.70 105.47 1lk3 s SER 25 Ca 0.42 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1lk3 s SER 25 Cb -0.10 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1lk3 s SER 25 CO 0.32 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1lk3 n GLY 26 N -0.07 0.80 3.76 7.32 0.00 -1.26 -0.61 105.19 115.14 1lk3 n GLY 26 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1lk3 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1lk3 s TYR 27 N -2.11 -0.04 -0.55 1.61 -0.85 -1.26 -4.28 117.35 109.87 1lk3 s TYR 27 Ca 0.00 -0.20 -0.28 0.00 -0.52 0.00 0.00 57.07 56.07 1lk3 s TYR 27 Cb 0.00 0.61 0.01 0.00 0.38 0.00 0.00 41.96 42.96 1lk3 s TYR 27 CO 0.00 -0.61 1.52 0.99 -1.52 0.00 0.00 175.55 175.93 1lk3 s THR 28 N -2.61 3.69 0.22 -3.49 2.01 -1.26 -4.92 115.64 109.27 1lk3 s THR 28 Ca 0.17 0.57 -0.16 0.00 0.31 0.00 0.00 61.69 62.58 1lk3 s THR 28 Cb 0.01 -4.30 0.24 0.00 0.01 0.00 0.00 72.50 68.46 1lk3 s THR 28 CO 0.01 -1.08 1.58 0.15 -0.69 0.00 0.00 174.62 174.59 1lk3 h PHE 29 N 11.82 -0.78 0.00 4.92 3.57 -1.96 -0.72 116.94 133.79 1lk3 h PHE 29 Ca -0.27 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1lk3 h PHE 29 Cb 1.11 0.46 0.00 0.00 2.79 0.00 0.00 35.95 40.31 1lk3 h PHE 29 CO 1.03 -0.38 0.00 0.25 -2.23 0.00 0.00 178.31 176.98 1lk3 n THR 30 N -5.48 0.82 1.14 4.41 -2.24 -1.26 -3.02 114.28 108.64 1lk3 n THR 30 Ca 0.09 0.19 0.14 0.00 -2.27 0.00 0.00 64.05 62.19 1lk3 n THR 30 Cb 0.39 -0.97 0.56 0.00 -2.10 0.00 0.00 70.33 68.21 1lk3 n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1lk3 n ASP 31 N -1.76 0.21 -4.19 3.42 9.92 -0.28 -4.08 116.55 119.79 1lk3 n ASP 31 Ca 0.04 0.03 -0.16 0.00 -0.53 0.00 0.00 54.79 54.17 1lk3 n ASP 31 Cb 0.22 -0.22 -0.11 0.00 -0.64 0.00 0.00 41.12 40.36 1lk3 n ASP 31 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1lk3 s PHE 32 N -2.84 1.17 0.33 1.24 0.40 -1.17 -4.56 117.98 112.55 1lk3 s PHE 32 Ca 0.18 -0.58 -0.16 0.00 -0.60 0.00 0.00 56.93 55.77 1lk3 s PHE 32 Cb 0.19 -0.63 -0.09 0.00 0.51 0.00 0.00 43.02 42.99 1lk3 s PHE 32 CO 0.55 0.05 0.77 0.71 0.70 0.00 0.00 175.22 177.99 1lk3 s TYR 33 N -2.08 3.38 -0.24 0.36 1.51 0.01 -4.32 117.35 115.97 1lk3 s TYR 33 Ca 0.04 1.28 -0.06 0.00 -1.01 0.00 0.00 57.07 57.33 1lk3 s TYR 33 Cb -0.05 -2.59 -0.02 0.00 -0.11 0.00 0.00 41.96 39.20 1lk3 s TYR 33 CO 0.01 0.08 0.02 0.42 -1.11 0.00 0.00 175.55 174.98 1lk3 s ILE 34 N -1.98 3.86 0.17 2.71 -1.09 -0.97 -0.39 121.20 123.50 1lk3 s ILE 34 Ca 0.54 -0.37 0.06 0.00 -2.23 0.00 0.00 60.65 58.65 1lk3 s ILE 34 Cb -0.10 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.93 1lk3 s ILE 34 CO 0.17 0.35 0.07 -1.00 -1.23 0.00 0.00 174.94 173.30 1lk3 s HIS 35 N 1.54 3.01 -0.01 3.97 3.76 -0.28 -1.49 115.29 125.79 1lk3 s HIS 35 Ca 0.06 -0.07 0.06 0.00 -0.15 0.00 0.00 55.06 54.95 1lk3 s HIS 35 Cb -0.15 -1.45 -0.02 0.00 1.11 0.00 0.00 32.58 32.07 1lk3 s HIS 35 CO 0.00 0.52 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.66 1lk3 s TRP 36 N -1.72 1.58 0.05 1.40 0.52 -0.52 -0.49 118.94 119.76 1lk3 s TRP 36 Ca 0.29 -0.31 0.04 0.00 0.02 0.00 0.00 56.10 56.15 1lk3 s TRP 36 Cb -0.10 -1.01 -0.02 0.00 -1.15 0.00 0.00 33.47 31.19 1lk3 s TRP 36 CO 0.21 -0.01 -0.13 0.08 0.02 0.00 0.00 176.95 177.12 1lk3 s VAL 37 N -0.47 1.01 -0.08 4.03 1.01 0.90 -0.69 120.40 126.11 1lk3 s VAL 37 Ca 0.07 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1lk3 s VAL 37 Cb -0.07 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1lk3 s VAL 37 CO -0.00 -0.13 -0.24 -0.75 0.00 0.00 0.00 175.10 173.98 1lk3 s LYS 38 N -1.38 2.77 -0.25 2.72 2.20 0.00 -0.51 119.74 125.29 1lk3 s LYS 38 Ca -0.01 -0.89 -0.00 0.00 -0.36 0.00 0.00 55.97 54.71 1lk3 s LYS 38 Cb -0.09 -2.23 0.07 0.00 -1.51 0.00 0.00 37.83 34.08 1lk3 s LYS 38 CO 0.01 0.30 0.00 -1.14 -0.36 0.00 0.00 175.35 174.16 1lk3 s GLN 39 N 0.05 1.25 0.01 4.03 0.74 -0.42 -0.79 119.66 124.53 1lk3 s GLN 39 Ca -0.10 -0.96 -0.10 0.00 0.05 0.00 0.00 55.36 54.25 1lk3 s GLN 39 Cb -0.16 -2.43 -0.05 0.00 1.10 0.00 0.00 33.01 31.47 1lk3 s GLN 39 CO 0.06 -0.71 0.33 -1.54 -0.55 0.00 0.00 175.29 172.88 1lk3 s SER 40 N 1.49 6.61 -0.27 6.67 1.04 -1.01 -1.45 113.70 126.79 1lk3 s SER 40 Ca -0.01 0.73 -0.24 0.00 0.48 0.00 0.00 55.95 56.91 1lk3 s SER 40 Cb -0.18 -2.16 -0.10 0.00 0.10 0.00 0.00 66.02 63.67 1lk3 s SER 40 CO -0.10 0.27 1.03 1.57 0.98 0.00 0.00 173.24 176.99 1lk3 n HIS 41 N 1.36 0.76 0.00 5.02 -0.00 -1.26 -2.13 115.22 118.97 1lk3 n HIS 41 Ca -0.12 0.50 0.00 0.00 0.46 0.00 0.00 57.72 58.56 1lk3 n HIS 41 Cb 0.53 -1.22 0.00 0.00 -0.12 0.00 0.00 29.99 29.18 1lk3 n HIS 41 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1lk3 n GLY 42 N 3.25 0.46 2.55 1.57 0.00 -1.26 -4.80 105.19 106.95 1lk3 n GLY 42 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1lk3 n GLY 42 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1lk3 n LYS 43 N 0.00 0.00 -1.66 1.61 2.85 -0.91 -5.02 118.16 115.03 1lk3 n LYS 43 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1lk3 n LYS 43 Cb 0.00 -2.02 -0.03 0.00 -0.65 0.00 0.00 35.03 32.33 1lk3 n LYS 43 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1lk3 s SER 44 N -3.08 5.92 -0.17 -5.58 0.15 -1.20 -4.84 113.70 104.91 1lk3 s SER 44 Ca 0.00 2.20 -0.12 0.00 0.70 0.00 0.00 55.95 58.72 1lk3 s SER 44 Cb 0.00 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 1lk3 s SER 44 CO 0.00 -1.54 0.24 -0.76 1.20 0.00 0.00 173.24 172.38 1lk3 s LEU 45 N 6.52 4.24 -0.01 3.45 1.43 -1.26 -2.40 118.68 130.66 1lk3 s LEU 45 Ca 0.94 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.50 1lk3 s LEU 45 Cb -0.36 -2.28 -0.00 0.00 0.03 0.00 0.00 46.19 43.57 1lk3 s LEU 45 CO 0.37 0.14 -0.09 -1.61 0.23 0.00 0.00 176.35 175.40 1lk3 s GLU 46 N 0.34 0.73 -0.15 1.70 2.02 0.03 -4.99 118.70 118.39 1lk3 s GLU 46 Ca 0.14 -0.30 -0.18 0.00 0.02 0.00 0.00 54.97 54.65 1lk3 s GLU 46 Cb -0.12 -0.71 -0.04 0.00 0.10 0.00 0.00 34.13 33.36 1lk3 s GLU 46 CO 0.02 0.17 0.48 -0.46 0.02 0.00 0.00 175.26 175.50 1lk3 s TRP 47 N -0.13 3.46 -0.13 1.61 -0.00 -1.26 -0.82 118.94 121.67 1lk3 s TRP 47 Ca 0.02 0.84 -0.15 0.00 -0.00 0.00 0.00 56.10 56.81 1lk3 s TRP 47 Cb -0.04 -2.58 -0.25 0.00 -0.00 0.00 0.00 33.47 30.59 1lk3 s TRP 47 CO -0.00 0.08 0.46 0.82 -0.00 0.00 0.00 176.95 178.31 1lk3 h ILE 48 N 4.85 0.94 0.00 5.86 2.04 -1.27 -3.43 117.51 126.51 1lk3 h ILE 48 Ca -0.39 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.13 1lk3 h ILE 48 Cb 1.17 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1lk3 h ILE 48 CO 0.75 0.67 0.00 0.61 0.00 0.00 0.00 178.15 180.18 1lk3 n GLY 49 N 1.73 -2.06 3.21 5.37 0.00 -1.22 -0.79 105.19 111.44 1lk3 n GLY 49 Ca -0.27 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 1lk3 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1lk3 s TYR 50 N -2.30 1.08 0.00 1.61 -0.85 -0.61 -1.44 117.35 114.85 1lk3 s TYR 50 Ca 0.00 -0.92 0.02 0.00 -0.52 0.00 0.00 57.07 55.65 1lk3 s TYR 50 Cb 0.00 -0.61 -0.01 0.00 0.38 0.00 0.00 41.96 41.73 1lk3 s TYR 50 CO 0.00 -0.13 -0.08 -1.50 -1.52 0.00 0.00 175.55 172.33 1lk3 s ILE 51 N -3.58 0.60 -0.46 -3.49 2.07 -0.56 -1.49 121.20 114.30 1lk3 s ILE 51 Ca 0.17 -0.41 -0.19 0.00 -1.41 0.00 0.00 60.65 58.81 1lk3 s ILE 51 Cb 0.05 -0.52 0.04 0.00 0.13 0.00 0.00 42.46 42.15 1lk3 s ILE 51 CO -0.01 0.12 0.57 0.21 -1.91 0.00 0.00 174.94 173.92 1lk3 s ASN 52 N -0.33 6.25 0.32 4.50 3.84 0.36 -2.28 114.94 127.60 1lk3 s ASN 52 Ca 0.02 -0.66 0.04 0.00 0.21 0.00 0.00 52.86 52.47 1lk3 s ASN 52 Cb -0.04 -2.28 0.65 0.00 -0.55 0.00 0.00 41.25 39.04 1lk3 s ASN 52 CO -0.00 -0.76 1.89 -0.65 -2.79 0.00 0.00 177.10 174.79 1lk3 h PRO 53 N 8.87 0.86 -0.83 0.43 0.11 -1.85 1.12 132.00 140.70 1lk3 h PRO 53 Ca -0.26 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 65.90 1lk3 h PRO 53 Cb 1.10 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 31.94 1lk3 h PRO 53 CO 0.89 0.57 0.47 -0.97 -0.21 0.00 0.00 178.00 178.74 1lk3 h ASN 54 N 0.88 0.66 0.00 -2.05 -0.00 -1.89 -3.31 115.58 109.87 1lk3 h ASN 54 Ca 0.41 0.05 -0.03 0.00 -0.00 0.00 0.00 56.30 56.73 1lk3 h ASN 54 Cb 0.41 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.66 1lk3 h ASN 54 CO -0.18 0.36 -1.28 -1.54 -0.00 0.00 0.00 177.43 174.80 1lk3 n SER 55 N -4.76 3.77 0.00 1.15 3.41 -0.87 -5.00 113.62 111.33 1lk3 n SER 55 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1lk3 n SER 55 Cb 0.30 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 1lk3 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lk3 n GLY 56 N 2.38 0.71 3.76 5.00 0.00 0.38 -5.03 105.19 112.38 1lk3 n GLY 56 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1lk3 n GLY 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lk3 s TYR 57 N -2.69 2.77 0.18 1.61 5.04 -1.23 -4.70 117.35 118.32 1lk3 s TYR 57 Ca 0.00 0.97 0.09 0.00 -2.44 0.00 0.00 57.07 55.69 1lk3 s TYR 57 Cb 0.00 -3.99 -0.04 0.00 0.35 0.00 0.00 41.96 38.28 1lk3 s TYR 57 CO 0.00 -3.16 -0.18 0.95 -1.34 0.00 0.00 175.55 171.82 1lk3 s THR 58 N -0.40 1.88 -0.26 4.34 -4.23 -1.26 -0.49 115.64 115.22 1lk3 s THR 58 Ca 0.59 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.10 1lk3 s THR 58 Cb -0.46 -1.90 0.09 0.00 1.34 0.00 0.00 72.50 71.57 1lk3 s THR 58 CO 0.52 -0.33 0.09 0.21 -0.54 0.00 0.00 174.62 174.57 1lk3 s ASN 59 N -2.76 3.46 0.01 3.99 3.84 -0.56 -5.01 114.94 117.92 1lk3 s ASN 59 Ca 0.17 -1.24 -0.04 0.00 0.21 0.00 0.00 52.86 51.97 1lk3 s ASN 59 Cb -0.05 -0.59 -0.04 0.00 -0.55 0.00 0.00 41.25 40.01 1lk3 s ASN 59 CO 0.07 -0.39 0.23 -0.31 -2.79 0.00 0.00 177.10 173.91 1lk3 s TYR 60 N 1.86 3.55 0.12 0.43 2.02 -1.26 -1.58 117.35 122.49 1lk3 s TYR 60 Ca 0.06 0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.89 1lk3 s TYR 60 Cb -0.17 -1.89 -0.07 0.00 -0.40 0.00 0.00 41.96 39.44 1lk3 s TYR 60 CO -0.23 0.61 1.16 1.21 -1.57 0.00 0.00 175.55 176.74 1lk3 s ASN 61 N -1.95 7.14 0.49 2.29 3.84 0.03 -4.89 114.94 121.90 1lk3 s ASN 61 Ca 0.29 2.07 0.22 0.00 0.21 0.00 0.00 52.86 55.65 1lk3 s ASN 61 Cb -0.13 -2.59 1.27 0.00 -0.55 0.00 0.00 41.25 39.25 1lk3 s ASN 61 CO 0.19 -0.37 1.95 -0.33 -2.79 0.00 0.00 177.10 175.74 1lk3 h GLU 62 N 6.01 0.16 0.00 0.43 5.08 -1.95 0.37 114.58 124.68 1lk3 h GLU 62 Ca -0.43 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1lk3 h GLU 62 Cb 1.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1lk3 h GLU 62 CO 0.77 0.11 0.00 0.87 -1.00 0.00 0.00 179.01 179.76 1lk3 h LYS 63 N 0.17 0.00 -0.01 2.33 1.57 -1.94 -2.96 116.57 115.72 1lk3 h LYS 63 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1lk3 h LYS 63 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1lk3 h LYS 63 CO -0.05 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.02 1lk3 n PHE 64 N -2.68 0.01 0.21 -1.35 3.01 0.08 -4.77 117.46 111.98 1lk3 n PHE 64 Ca 0.00 -0.05 0.13 0.00 1.01 0.00 0.00 57.45 58.54 1lk3 n PHE 64 Cb 0.19 -0.00 0.73 0.00 -0.01 0.00 0.00 39.48 40.38 1lk3 n PHE 64 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1lk3 h LYS 65 N 0.59 0.00 -0.01 -1.08 2.10 -1.28 0.12 116.57 117.01 1lk3 h LYS 65 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1lk3 h LYS 65 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1lk3 h LYS 65 CO 0.00 0.00 -0.27 0.09 -2.00 0.00 0.00 179.45 177.27 1lk3 n ASN 66 N -4.27 1.55 -0.07 7.07 3.02 -1.26 -4.39 115.26 116.91 1lk3 n ASN 66 Ca 0.00 -1.25 -0.10 0.00 -0.03 0.00 0.00 54.58 53.20 1lk3 n ASN 66 Cb 0.23 0.21 -0.07 0.00 -0.61 0.00 0.00 39.78 39.54 1lk3 n ASN 66 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1lk3 n LYS 67 N -0.19 0.35 -4.32 3.52 3.00 -0.09 -4.86 118.16 115.57 1lk3 n LYS 67 Ca 0.12 0.08 -0.31 0.00 -0.00 0.00 0.00 58.31 58.21 1lk3 n LYS 67 Cb 0.41 -1.28 -0.10 0.00 0.00 0.00 0.00 35.03 34.06 1lk3 n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1lk3 s ALA 68 N -2.28 2.97 -0.12 3.14 0.00 0.23 -1.59 121.76 124.12 1lk3 s ALA 68 Ca -0.19 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.59 1lk3 s ALA 68 Cb 0.05 -0.97 0.04 0.00 0.00 0.00 0.00 23.12 22.23 1lk3 s ALA 68 CO 0.33 0.63 -0.01 0.99 0.00 0.00 0.00 175.76 177.70 1lk3 s THR 69 N -1.14 0.62 -0.12 0.00 2.01 -0.56 -4.77 115.64 111.68 1lk3 s THR 69 Ca 0.20 -0.19 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 1lk3 s THR 69 Cb -0.11 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1lk3 s THR 69 CO 0.12 0.17 0.14 -0.76 -0.69 0.00 0.00 174.62 173.59 1lk3 s LEU 70 N 1.86 4.38 0.20 4.42 1.43 -1.26 -1.30 118.68 128.40 1lk3 s LEU 70 Ca 0.03 0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 53.50 1lk3 s LEU 70 Cb -0.14 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 1lk3 s LEU 70 CO -0.07 0.40 0.34 0.42 0.23 0.00 0.00 176.35 177.67 1lk3 s THR 71 N -0.98 0.03 0.07 5.49 -4.23 -0.83 -5.01 115.64 110.18 1lk3 s THR 71 Ca 0.15 -1.47 -0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1lk3 s THR 71 Cb -0.12 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1lk3 s THR 71 CO 0.04 -0.14 -0.03 0.68 -0.54 0.00 0.00 174.62 174.63 1lk3 s VAL 72 N -4.01 0.32 -0.32 2.29 -7.23 -1.26 -0.25 120.40 109.93 1lk3 s VAL 72 Ca 0.22 -1.85 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1lk3 s VAL 72 Cb 0.02 -1.64 0.10 0.00 0.56 0.00 0.00 36.38 35.42 1lk3 s VAL 72 CO 0.05 -0.89 0.10 -0.62 -0.31 0.00 0.00 175.10 173.44 1lk3 s ASP 73 N -2.97 4.01 0.52 4.85 -1.08 0.29 -4.97 116.67 117.32 1lk3 s ASP 73 Ca 0.11 -1.69 0.18 0.00 -0.52 0.00 0.00 52.55 50.63 1lk3 s ASP 73 Cb 0.07 -0.87 1.31 0.00 -1.46 0.00 0.00 42.92 41.97 1lk3 s ASP 73 CO -0.07 -0.41 2.15 0.11 0.52 0.00 0.00 175.17 177.47 1lk3 h LYS 74 N 8.02 0.00 0.00 4.34 1.57 -1.92 -0.22 116.57 128.36 1lk3 h LYS 74 Ca -0.13 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1lk3 h LYS 74 Cb 1.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1lk3 h LYS 74 CO 0.47 0.02 -0.10 0.66 -0.57 0.00 0.00 179.45 179.93 1lk3 h SER 75 N 0.00 0.00 -0.06 0.86 4.64 -1.96 -2.87 113.55 114.17 1lk3 h SER 75 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lk3 h SER 75 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1lk3 h SER 75 CO 0.00 0.10 0.00 0.35 -0.87 0.00 0.00 176.83 176.42 1lk3 n THR 76 N -3.32 0.37 -3.84 2.95 -2.24 -0.77 -4.99 114.28 102.45 1lk3 n THR 76 Ca -0.00 -0.69 -0.26 0.00 -2.27 0.00 0.00 64.05 60.82 1lk3 n THR 76 Cb 0.31 0.87 0.02 0.00 -2.10 0.00 0.00 70.33 69.44 1lk3 n THR 76 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1lk3 n SER 77 N 0.13 -2.93 -4.16 3.42 7.64 -0.16 -4.72 113.62 112.83 1lk3 n SER 77 Ca 0.03 -0.82 -0.29 0.00 1.01 0.00 0.00 58.87 58.81 1lk3 n SER 77 Cb 0.19 -3.85 -0.17 0.00 -1.01 0.00 0.00 64.21 59.37 1lk3 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1lk3 s THR 78 N -3.50 1.68 -0.12 0.44 2.01 -0.94 -1.26 115.64 113.94 1lk3 s THR 78 Ca 0.35 -0.83 -0.05 0.00 0.31 0.00 0.00 61.69 61.47 1lk3 s THR 78 Cb -0.17 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1lk3 s THR 78 CO 0.83 0.48 0.08 -0.83 -0.69 0.00 0.00 174.62 174.49 1lk3 s GLY 79 N 0.25 2.01 0.19 4.40 0.00 -0.27 -0.55 107.32 113.35 1lk3 s GLY 79 Ca -0.11 -0.72 0.11 0.00 0.00 0.00 0.00 44.72 44.00 1lk3 s GLY 79 CO 0.05 -0.34 -0.22 -0.19 0.00 0.00 0.00 173.10 172.40 1lk3 s TYR 80 N -0.67 2.16 -0.10 1.90 1.51 0.65 0.06 117.35 122.86 1lk3 s TYR 80 Ca 0.12 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1lk3 s TYR 80 Cb -0.12 -1.06 0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1lk3 s TYR 80 CO 0.02 0.47 0.06 1.41 -1.11 0.00 0.00 175.55 176.40 1lk3 s MET 81 N -2.77 0.10 -0.15 -0.62 1.75 0.42 -1.97 119.30 116.06 1lk3 s MET 81 Ca 0.20 0.14 -0.13 0.00 -1.25 0.00 0.00 55.69 54.64 1lk3 s MET 81 Cb -0.07 -1.12 -0.05 0.00 2.84 0.00 0.00 34.83 36.43 1lk3 s MET 81 CO 0.09 -0.46 0.28 -2.00 -0.65 0.00 0.00 175.02 172.28 1lk3 s GLU 82 N 2.11 4.19 -0.23 4.11 2.12 -0.42 -0.00 118.70 130.58 1lk3 s GLU 82 Ca 0.04 0.08 -0.04 0.00 0.36 0.00 0.00 54.97 55.40 1lk3 s GLU 82 Cb -0.14 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 1lk3 s GLU 82 CO -0.06 0.30 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.42 1lk3 s LEU 83 N 0.29 2.99 -0.02 2.70 1.43 0.58 -1.50 118.68 125.16 1lk3 s LEU 83 Ca 0.16 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1lk3 s LEU 83 Cb -0.13 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1lk3 s LEU 83 CO 0.04 -0.04 0.05 -0.44 0.23 0.00 0.00 176.35 176.20 1lk3 s SER 84 N 1.48 5.53 -1.20 2.29 0.01 -0.62 -1.40 113.70 119.79 1lk3 s SER 84 Ca 0.05 0.13 -0.19 0.00 1.31 0.00 0.00 55.95 57.25 1lk3 s SER 84 Cb -0.15 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.52 1lk3 s SER 84 CO -0.03 0.30 0.71 0.54 0.41 0.00 0.00 173.24 175.17 1lk3 n ARG 85 N 1.43 -1.45 -1.64 12.44 1.74 -1.00 -4.86 116.66 123.32 1lk3 n ARG 85 Ca -0.15 0.39 -0.33 0.00 -0.77 0.00 0.00 57.85 56.99 1lk3 n ARG 85 Cb 0.53 -3.95 0.06 0.00 -1.02 0.00 0.00 32.46 28.08 1lk3 n ARG 85 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1lk3 s LEU 86 N -6.71 3.36 0.33 0.55 1.43 -0.49 -4.52 118.68 112.62 1lk3 s LEU 86 Ca 0.39 2.11 0.03 0.00 -1.03 0.00 0.00 54.13 55.64 1lk3 s LEU 86 Cb -0.15 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.46 1lk3 s LEU 86 CO 0.88 -1.85 0.12 0.42 0.23 0.00 0.00 176.35 176.16 1lk3 s THR 87 N -2.24 0.61 0.57 5.49 -4.23 -1.26 0.38 115.64 114.97 1lk3 s THR 87 Ca 0.69 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.47 1lk3 s THR 87 Cb -0.23 -2.54 0.35 0.00 1.34 0.00 0.00 72.50 71.42 1lk3 s THR 87 CO 0.43 0.00 2.10 0.77 -0.54 0.00 0.00 174.62 177.38 1lk3 h SER 88 N 2.10 0.00 0.38 3.99 4.64 -1.98 0.03 113.55 122.71 1lk3 h SER 88 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1lk3 h SER 88 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1lk3 h SER 88 CO 0.58 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 176.21 1lk3 h GLU 89 N 0.00 0.00 -0.01 4.77 5.08 -1.96 -2.32 114.58 120.14 1lk3 h GLU 89 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1lk3 h GLU 89 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1lk3 h GLU 89 CO -0.00 0.00 -0.20 -0.25 -1.00 0.00 0.00 179.01 177.56 1lk3 n ASP 90 N -2.69 1.40 -4.68 1.42 8.00 -0.00 -4.86 116.55 115.13 1lk3 n ASP 90 Ca -0.01 -1.20 -0.42 0.00 0.71 0.00 0.00 54.79 53.87 1lk3 n ASP 90 Cb 0.15 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 1lk3 n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1lk3 s SER 91 N -2.33 6.72 0.03 -2.24 0.01 -0.88 -4.88 113.70 110.14 1lk3 s SER 91 Ca 0.28 2.27 -0.26 0.00 1.31 0.00 0.00 55.95 59.55 1lk3 s SER 91 Cb 0.20 -2.56 0.09 0.00 0.21 0.00 0.00 66.02 63.96 1lk3 s SER 91 CO 0.46 -0.82 1.20 0.00 0.41 0.00 0.00 173.24 174.50 1lk3 n ALA 92 N 5.75 -3.34 -2.76 1.44 0.00 -0.71 -4.63 120.51 116.27 1lk3 n ALA 92 Ca 0.15 -0.86 -0.38 0.00 0.00 0.00 0.00 53.44 52.35 1lk3 n ALA 92 Cb 0.42 0.26 -0.11 0.00 0.00 0.00 0.00 19.45 20.02 1lk3 n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1lk3 s ASN 93 N -3.71 5.71 -0.15 0.00 2.47 -0.53 -1.17 114.94 117.55 1lk3 s ASN 93 Ca 0.28 -0.17 -0.05 0.00 0.42 0.00 0.00 52.86 53.34 1lk3 s ASN 93 Cb -0.01 -2.05 -0.03 0.00 -1.45 0.00 0.00 41.25 37.70 1lk3 s ASN 93 CO 0.01 -0.08 0.01 -0.31 -3.72 0.00 0.00 177.10 173.01 1lk3 s TYR 94 N 1.70 3.15 0.11 0.43 1.51 0.96 -1.30 117.35 123.91 1lk3 s TYR 94 Ca 0.06 -0.05 0.08 0.00 -1.01 0.00 0.00 57.07 56.16 1lk3 s TYR 94 Cb -0.16 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 1lk3 s TYR 94 CO 0.08 0.14 -0.19 -1.12 -1.11 0.00 0.00 175.55 173.35 1lk3 s SER 95 N 0.13 2.45 0.10 2.29 0.01 0.33 -0.59 113.70 118.41 1lk3 s SER 95 Ca 0.02 -0.72 0.04 0.00 1.31 0.00 0.00 55.95 56.61 1lk3 s SER 95 Cb -0.13 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 1lk3 s SER 95 CO 0.02 0.02 0.03 0.00 0.41 0.00 0.00 173.24 173.72 1lk3 s THR 97 N -1.38 0.60 -0.18 0.00 -4.23 0.36 -0.38 115.64 110.42 1lk3 s THR 97 Ca 0.27 -1.75 -0.10 0.00 -1.18 0.00 0.00 61.69 58.94 1lk3 s THR 97 Cb -0.12 -1.44 -0.05 0.00 1.34 0.00 0.00 72.50 72.23 1lk3 s THR 97 CO 0.20 -0.79 0.15 -0.60 -0.54 0.00 0.00 174.62 173.04 1lk3 s ARG 98 N -3.39 4.08 -0.09 3.99 3.52 -1.04 -1.13 118.95 124.90 1lk3 s ARG 98 Ca 0.07 -0.17 0.04 0.00 -0.13 0.00 0.00 55.73 55.53 1lk3 s ARG 98 Cb 0.03 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1lk3 s ARG 98 CO -0.04 0.37 -0.21 0.20 -0.81 0.00 0.00 175.30 174.80 1lk3 s GLY 99 N 0.15 1.20 0.11 8.12 0.00 0.47 -4.55 107.32 112.83 1lk3 s GLY 99 Ca 0.10 -0.84 -0.31 0.00 0.00 0.00 0.00 44.72 43.67 1lk3 s GLY 99 CO -0.00 -0.22 1.47 0.14 0.00 0.00 0.00 173.10 174.48 1lk3 s VAL 100 N 0.42 3.13 0.13 1.40 1.01 -1.25 -0.81 120.40 124.44 1lk3 s VAL 100 Ca -0.18 0.77 -0.34 0.00 0.00 0.00 0.00 61.98 62.23 1lk3 s VAL 100 Cb -0.17 -3.49 -0.14 0.00 0.00 0.00 0.00 36.38 32.58 1lk3 s VAL 100 CO 0.08 0.05 1.60 -2.65 0.00 0.00 0.00 175.10 174.17 1lk3 n PRO 101 N 4.30 2.11 0.00 2.72 -0.02 -1.26 -0.46 135.00 142.38 1lk3 n PRO 101 Ca 0.13 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1lk3 n PRO 101 Cb 0.41 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1lk3 n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lk3 n GLY 102 N 3.48 2.73 3.00 -1.23 0.00 -1.26 -4.96 105.19 106.94 1lk3 n GLY 102 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1lk3 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lk3 s ASN 103 N -1.49 4.60 -1.52 1.61 0.01 0.39 -5.01 114.94 113.53 1lk3 s ASN 103 Ca 0.00 -2.92 -0.09 0.00 -0.71 0.00 0.00 52.86 49.14 1lk3 s ASN 103 Cb 0.00 -1.70 -0.01 0.00 0.41 0.00 0.00 41.25 39.95 1lk3 s ASN 103 CO 0.00 -0.28 2.68 0.59 -1.51 0.00 0.00 177.10 178.58 1lk3 n ASN 104 N 3.28 7.85 -4.06 -1.22 3.02 -1.26 -3.78 115.26 119.09 1lk3 n ASN 104 Ca 0.06 -2.77 -0.08 0.00 -0.03 0.00 0.00 54.58 51.76 1lk3 n ASN 104 Cb 0.34 -1.52 -0.10 0.00 -0.61 0.00 0.00 39.78 37.89 1lk3 n ASN 104 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 1lk3 s TRP 105 N 1.37 0.45 -0.46 3.10 -2.14 -1.26 -5.14 118.94 114.86 1lk3 s TRP 105 Ca 0.62 -0.87 0.03 0.00 2.66 0.00 0.00 56.10 58.54 1lk3 s TRP 105 Cb 0.17 -0.33 0.12 0.00 -3.10 0.00 0.00 33.47 30.33 1lk3 s TRP 105 CO -0.07 -0.30 0.20 -0.06 -2.66 0.00 0.00 176.95 174.07 1lk3 s PHE 106 N -3.02 3.43 -0.27 1.66 0.40 -1.26 -4.72 117.98 114.20 1lk3 s PHE 106 Ca -0.01 -3.03 0.23 0.00 -0.60 0.00 0.00 56.93 53.52 1lk3 s PHE 106 Cb 0.01 -2.92 0.47 0.00 0.51 0.00 0.00 43.02 41.10 1lk3 s PHE 106 CO -0.06 -0.84 1.65 -1.00 0.70 0.00 0.00 175.22 175.67 1lk3 h PRO 107 N 7.02 0.00 -4.98 0.24 0.13 -1.99 -3.44 132.00 128.98 1lk3 h PRO 107 Ca -0.06 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.45 1lk3 h PRO 107 Cb 0.95 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.74 1lk3 h PRO 107 CO 0.64 0.11 -0.85 0.71 -0.23 0.00 0.00 178.00 178.38 1lk3 s TYR 108 N -3.26 2.17 0.03 1.56 1.51 -1.26 -5.09 117.35 113.02 1lk3 s TYR 108 Ca 0.05 -0.95 0.07 0.00 -1.01 0.00 0.00 57.07 55.23 1lk3 s TYR 108 Cb 0.06 -1.51 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 1lk3 s TYR 108 CO 0.66 -0.44 -0.21 -1.58 -1.11 0.00 0.00 175.55 172.88 1lk3 s TRP 109 N 0.67 1.81 1.15 2.71 0.52 -1.26 -2.48 118.94 122.05 1lk3 s TRP 109 Ca -0.13 -0.37 -0.17 0.00 0.02 0.00 0.00 56.10 55.45 1lk3 s TRP 109 Cb -0.16 -1.09 0.26 0.00 -1.15 0.00 0.00 33.47 31.33 1lk3 s TRP 109 CO 0.03 0.07 1.10 0.20 0.02 0.00 0.00 176.95 178.37 1lk3 s GLY 110 N -1.07 1.57 0.00 0.98 0.00 0.48 -4.67 107.32 104.61 1lk3 s GLY 110 Ca 0.07 -0.76 0.29 0.00 0.00 0.00 0.00 44.72 44.32 1lk3 s GLY 110 CO 0.01 0.05 1.94 0.61 0.00 0.00 0.00 173.10 175.71 1lk3 n GLN 111 N -4.64 0.15 0.00 2.90 0.00 -1.25 -4.80 117.38 109.75 1lk3 n GLN 111 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 57.00 57.10 1lk3 n GLN 111 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.33 1lk3 n GLN 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1lk3 n GLY 112 N 1.43 1.09 2.94 2.61 0.00 -1.26 -5.04 105.19 106.95 1lk3 n GLY 112 Ca 0.09 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 1lk3 n GLY 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lk3 s THR 113 N -2.44 0.92 -0.17 2.61 2.01 0.24 -4.87 115.64 113.93 1lk3 s THR 113 Ca 0.00 -0.30 -0.22 0.00 0.31 0.00 0.00 61.69 61.48 1lk3 s THR 113 Cb 0.00 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 1lk3 s THR 113 CO 0.00 0.33 0.68 -0.22 -0.69 0.00 0.00 174.62 174.72 1lk3 s LEU 114 N 1.17 4.17 -0.20 4.42 2.96 -1.26 -0.03 118.68 129.91 1lk3 s LEU 114 Ca -0.06 0.96 -0.02 0.00 -0.22 0.00 0.00 54.13 54.79 1lk3 s LEU 114 Cb -0.14 -2.99 0.00 0.00 0.50 0.00 0.00 46.19 43.56 1lk3 s LEU 114 CO -0.02 -0.28 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.93 1lk3 s VAL 115 N 1.82 2.80 -0.14 1.68 1.01 -0.32 -1.17 120.40 126.09 1lk3 s VAL 115 Ca 0.32 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 1lk3 s VAL 115 Cb -0.16 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1lk3 s VAL 115 CO 0.12 0.47 -0.13 -0.89 0.00 0.00 0.00 175.10 174.67 1lk3 s THR 116 N 1.38 2.99 -0.28 3.92 2.01 0.11 -1.73 115.64 124.04 1lk3 s THR 116 Ca 0.05 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.30 1lk3 s THR 116 Cb -0.14 -2.26 -0.00 0.00 0.01 0.00 0.00 72.50 70.11 1lk3 s THR 116 CO -0.07 0.52 0.08 -0.69 -0.69 0.00 0.00 174.62 173.77 1lk3 s VAL 117 N 0.50 4.15 0.07 3.82 1.01 -1.26 -0.86 120.40 127.82 1lk3 s VAL 117 Ca -0.09 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 1lk3 s VAL 117 Cb -0.16 -3.07 0.08 0.00 0.00 0.00 0.00 36.38 33.23 1lk3 s VAL 117 CO 0.04 0.16 0.68 -0.55 0.00 0.00 0.00 175.10 175.44 1lk3 s SER 118 N 1.55 -0.56 0.31 3.32 0.15 0.22 -4.63 113.70 114.07 1lk3 s SER 118 Ca 0.04 0.21 0.17 0.00 0.70 0.00 0.00 55.95 57.07 1lk3 s SER 118 Cb -0.16 0.54 0.13 0.00 -1.71 0.00 0.00 66.02 64.82 1lk3 s SER 118 CO 0.03 -0.79 1.48 0.28 1.20 0.00 0.00 173.24 175.44 1lk3 h SER 119 N 2.30 0.00 -3.97 5.45 0.02 -1.95 -3.35 113.55 112.04 1lk3 h SER 119 Ca -0.30 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.15 1lk3 h SER 119 Cb 1.25 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.84 1lk3 h SER 119 CO 0.37 0.40 0.48 0.00 -1.14 0.00 0.00 176.83 176.94 1lk3 s ALA 120 N -3.02 3.06 0.67 3.77 0.00 -1.26 -5.04 121.76 119.93 1lk3 s ALA 120 Ca 0.04 0.91 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 1lk3 s ALA 120 Cb 0.07 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.87 1lk3 s ALA 120 CO 0.73 -0.53 0.97 -1.21 0.00 0.00 0.00 175.76 175.71 1lk3 s GLU 121 N -2.52 2.39 0.51 0.00 8.01 -1.26 -5.02 118.70 120.80 1lk3 s GLU 121 Ca 0.60 -0.24 -0.20 0.00 0.01 0.00 0.00 54.97 55.13 1lk3 s GLU 121 Cb -0.28 -2.22 -0.07 0.00 -4.31 0.00 0.00 34.13 27.25 1lk3 s GLU 121 CO 0.35 -1.07 1.10 0.95 0.01 0.00 0.00 175.26 176.60 1lk3 s THR 122 N -3.15 3.38 -0.06 3.63 -4.23 -1.26 -4.82 115.64 109.13 1lk3 s THR 122 Ca 0.58 0.90 -0.00 0.00 -1.18 0.00 0.00 61.69 61.99 1lk3 s THR 122 Cb -0.11 -3.38 0.03 0.00 1.34 0.00 0.00 72.50 70.38 1lk3 s THR 122 CO 0.44 -0.15 -0.02 -0.89 -0.54 0.00 0.00 174.62 173.46 1lk3 s THR 123 N -1.80 0.49 0.50 3.99 2.01 0.48 -4.96 115.64 116.35 1lk3 s THR 123 Ca 0.69 -0.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.49 1lk3 s THR 123 Cb -0.22 -0.59 -0.08 0.00 0.01 0.00 0.00 72.50 71.62 1lk3 s THR 123 CO 0.26 0.26 1.05 0.00 -0.69 0.00 0.00 174.62 175.49 1lk3 s ALA 124 N 1.56 2.84 0.63 7.40 0.00 -1.26 -1.59 121.76 131.34 1lk3 s ALA 124 Ca -0.01 0.63 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 1lk3 s ALA 124 Cb -0.13 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1lk3 s ALA 124 CO -0.04 -0.39 1.04 -1.25 0.00 0.00 0.00 175.76 175.12 1lk3 s PRO 125 N -3.28 3.44 -0.12 0.00 0.04 -1.26 -4.49 135.00 129.33 1lk3 s PRO 125 Ca 0.68 0.84 -0.03 0.00 0.04 0.00 0.00 61.00 62.52 1lk3 s PRO 125 Cb -0.17 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1lk3 s PRO 125 CO 0.21 -0.70 -0.01 -1.12 0.04 0.00 0.00 177.00 175.43 1lk3 s SER 126 N -3.94 5.11 -0.23 6.66 0.01 -0.12 -4.92 113.70 116.26 1lk3 s SER 126 Ca 0.56 0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.83 1lk3 s SER 126 Cb -0.12 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.49 1lk3 s SER 126 CO 0.52 0.27 -0.07 -0.69 0.41 0.00 0.00 173.24 173.69 1lk3 s VAL 127 N -0.26 2.98 0.03 3.43 1.01 -1.26 -0.77 120.40 125.57 1lk3 s VAL 127 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1lk3 s VAL 127 Cb -0.12 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1lk3 s VAL 127 CO 0.02 0.31 -0.12 -0.31 0.00 0.00 0.00 175.10 175.00 1lk3 s TYR 128 N 1.38 2.73 0.39 5.22 2.02 0.43 -4.95 117.35 124.57 1lk3 s TYR 128 Ca 0.03 -0.14 -0.24 0.00 -0.37 0.00 0.00 57.07 56.34 1lk3 s TYR 128 Cb -0.15 -1.53 -0.09 0.00 -0.40 0.00 0.00 41.96 39.79 1lk3 s TYR 128 CO -0.05 0.33 1.02 -1.25 -1.57 0.00 0.00 175.55 174.03 1lk3 s PRO 129 N -1.54 4.26 -0.35 -1.71 0.04 -1.26 -0.58 135.00 133.86 1lk3 s PRO 129 Ca 0.17 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 1lk3 s PRO 129 Cb -0.11 -2.57 0.08 0.00 0.04 0.00 0.00 34.50 31.94 1lk3 s PRO 129 CO 0.08 -0.05 0.08 -0.51 0.04 0.00 0.00 177.00 176.64 1lk3 s LEU 130 N -2.56 4.54 0.08 -3.56 1.43 0.80 -4.80 118.68 114.60 1lk3 s LEU 130 Ca 0.56 -1.72 0.06 0.00 -1.03 0.00 0.00 54.13 52.01 1lk3 s LEU 130 Cb -0.20 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1lk3 s LEU 130 CO 0.26 -0.38 -0.17 0.00 0.23 0.00 0.00 176.35 176.28 1lk3 s ALA 131 N 1.14 1.47 0.48 4.21 0.00 -1.26 -1.50 121.76 126.29 1lk3 s ALA 131 Ca 0.02 -1.07 -0.24 0.00 0.00 0.00 0.00 51.96 50.67 1lk3 s ALA 131 Cb -0.21 -0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 1lk3 s ALA 131 CO -0.04 0.27 1.43 -1.25 0.00 0.00 0.00 175.76 176.17 1lk3 s PRO 132 N -1.66 3.52 -0.30 0.00 0.04 -1.26 -4.93 135.00 130.41 1lk3 s PRO 132 Ca 0.03 2.41 0.11 0.00 0.04 0.00 0.00 61.00 63.58 1lk3 s PRO 132 Cb -0.10 -2.55 0.69 0.00 0.04 0.00 0.00 34.50 32.58 1lk3 s PRO 132 CO 0.03 -0.95 1.72 0.41 0.04 0.00 0.00 177.00 178.25 1lk3 n GLY 133 N 0.61 3.88 3.33 0.56 0.00 -1.26 -4.51 105.19 107.79 1lk3 n GLY 133 Ca 0.06 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 1lk3 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lk3 s THR 134 N -3.01 0.07 0.24 2.61 2.01 -1.26 -5.14 115.64 111.16 1lk3 s THR 134 Ca 0.52 -0.71 -0.31 0.00 0.31 0.00 0.00 61.69 61.50 1lk3 s THR 134 Cb 0.42 -1.27 -0.14 0.00 0.01 0.00 0.00 72.50 71.53 1lk3 s THR 134 CO 0.11 -0.33 1.35 0.00 -0.69 0.00 0.00 174.62 175.06 1lk3 n ALA 135 N -0.22 0.83 -2.66 7.40 0.00 -1.26 -4.90 120.51 119.71 1lk3 n ALA 135 Ca -0.15 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 1lk3 n ALA 135 Cb 0.63 -2.23 0.01 0.00 0.00 0.00 0.00 19.45 17.86 1lk3 n ALA 135 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1lk3 n LEU 136 N 2.01 6.87 -0.00 0.00 7.94 -1.26 -4.57 117.00 127.98 1lk3 n LEU 136 Ca 0.11 -5.08 0.02 0.00 -1.11 0.00 0.00 56.01 49.95 1lk3 n LEU 136 Cb 0.31 -1.31 -0.03 0.00 0.53 0.00 0.00 43.42 42.92 1lk3 n LEU 136 CO 0.62 1.74 -0.45 0.29 -1.11 0.00 0.00 177.39 178.47 1lk3 n LYS 137 N 1.68 1.07 -0.44 1.96 5.02 -1.26 -4.73 118.16 121.45 1lk3 n LYS 137 Ca 0.38 -0.03 0.08 0.00 -2.02 0.00 0.00 58.31 56.72 1lk3 n LYS 137 Cb 0.31 -1.02 0.28 0.00 -0.02 0.00 0.00 35.03 34.59 1lk3 n LYS 137 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1lk3 n SER 138 N -1.54 3.73 -3.64 4.39 3.41 -1.26 -4.96 113.62 113.76 1lk3 n SER 138 Ca -0.00 -2.24 -0.16 0.00 -0.26 0.00 0.00 58.87 56.21 1lk3 n SER 138 Cb 0.09 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.49 1lk3 n SER 138 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1lk3 s ASN 139 N -0.88 -0.47 0.11 4.04 3.84 -1.26 -5.03 114.94 115.29 1lk3 s ASN 139 Ca 0.41 0.55 0.26 0.00 0.21 0.00 0.00 52.86 54.29 1lk3 s ASN 139 Cb 0.25 0.55 0.99 0.00 -0.55 0.00 0.00 41.25 42.49 1lk3 s ASN 139 CO 0.23 -0.48 1.81 -1.54 -2.79 0.00 0.00 177.10 174.33 1lk3 n SER 140 N 1.34 0.40 -4.35 -4.21 3.41 -1.26 -4.67 113.62 104.28 1lk3 n SER 140 Ca -0.19 0.55 -0.25 0.00 -0.26 0.00 0.00 58.87 58.72 1lk3 n SER 140 Cb 0.56 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.75 1lk3 n SER 140 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1lk3 s MET 141 N -3.07 1.31 -0.01 4.33 -1.94 -1.26 -0.43 119.30 118.24 1lk3 s MET 141 Ca 0.11 -1.37 0.02 0.00 -1.71 0.00 0.00 55.69 52.75 1lk3 s MET 141 Cb 0.15 -1.55 -0.00 0.00 2.01 0.00 0.00 34.83 35.43 1lk3 s MET 141 CO 0.53 0.34 -0.07 0.54 -0.01 0.00 0.00 175.02 176.35 1lk3 s VAL 142 N -1.60 0.58 -0.16 -6.03 0.11 0.47 -4.57 120.40 109.19 1lk3 s VAL 142 Ca 0.14 -0.30 -0.05 0.00 -2.93 0.00 0.00 61.98 58.84 1lk3 s VAL 142 Cb -0.08 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 1lk3 s VAL 142 CO 0.07 0.17 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.11 1lk3 s THR 143 N -0.13 4.19 0.35 5.04 2.01 -1.26 -1.38 115.64 124.46 1lk3 s THR 143 Ca 0.02 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 61.82 1lk3 s THR 143 Cb -0.03 -2.85 -0.07 0.00 0.01 0.00 0.00 72.50 69.55 1lk3 s THR 143 CO -0.00 0.49 0.04 -0.76 -0.69 0.00 0.00 174.62 173.69 1lk3 s LEU 144 N 0.34 2.40 0.00 4.42 1.43 -0.30 -4.72 118.68 122.24 1lk3 s LEU 144 Ca -0.02 -1.36 -0.18 0.00 -1.03 0.00 0.00 54.13 51.55 1lk3 s LEU 144 Cb -0.14 -0.55 0.06 0.00 0.03 0.00 0.00 46.19 45.60 1lk3 s LEU 144 CO 0.02 -0.54 0.84 0.61 0.23 0.00 0.00 176.35 177.51 1lk3 n GLY 145 N -0.76 0.69 2.94 -3.19 0.00 -0.56 -1.02 105.19 103.29 1lk3 n GLY 145 Ca -0.03 -1.09 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 1lk3 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lk3 s LEU 147 N 0.31 3.80 -0.50 0.00 2.96 0.26 -1.80 118.68 123.71 1lk3 s LEU 147 Ca -0.04 -0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 1lk3 s LEU 147 Cb -0.08 -2.02 0.13 0.00 0.50 0.00 0.00 46.19 44.72 1lk3 s LEU 147 CO -0.00 -0.07 0.35 -0.69 -1.32 0.00 0.00 176.35 174.62 1lk3 s VAL 148 N 1.68 4.01 0.06 1.68 1.01 0.42 -0.43 120.40 128.83 1lk3 s VAL 148 Ca 0.06 -2.06 0.06 0.00 0.00 0.00 0.00 61.98 60.04 1lk3 s VAL 148 Cb -0.16 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1lk3 s VAL 148 CO 0.07 -0.79 -0.09 -0.75 0.00 0.00 0.00 175.10 173.55 1lk3 s LYS 149 N 1.03 2.31 -1.02 2.72 2.20 0.05 -0.94 119.74 126.09 1lk3 s LYS 149 Ca 0.09 -0.90 -0.03 0.00 -0.36 0.00 0.00 55.97 54.77 1lk3 s LYS 149 Cb -0.24 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1lk3 s LYS 149 CO -0.02 0.55 0.87 0.41 -0.36 0.00 0.00 175.35 176.79 1lk3 n GLY 150 N 1.09 -0.23 3.69 5.54 0.00 -0.68 -0.95 105.19 113.65 1lk3 n GLY 150 Ca -0.14 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1lk3 n GLY 150 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1lk3 s TYR 151 N -3.28 2.67 -0.29 1.61 1.13 -0.47 -4.45 117.35 114.28 1lk3 s TYR 151 Ca 0.19 -0.36 -0.20 0.00 -1.41 0.00 0.00 57.07 55.28 1lk3 s TYR 151 Cb -0.08 -1.52 0.14 0.00 -1.10 0.00 0.00 41.96 39.40 1lk3 s TYR 151 CO 0.59 0.43 1.03 0.12 -2.51 0.00 0.00 175.55 175.21 1lk3 s PHE 152 N -2.43 -0.50 0.11 -3.49 5.36 -0.62 0.06 117.98 116.48 1lk3 s PHE 152 Ca 0.36 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 57.41 1lk3 s PHE 152 Cb -0.03 0.36 0.02 0.00 -0.34 0.00 0.00 43.02 43.03 1lk3 s PHE 152 CO 0.21 -0.24 0.15 -0.35 -1.46 0.00 0.00 175.22 173.53 1lk3 n PRO 153 N 2.97 0.54 -1.52 10.12 -0.04 -1.26 -0.39 135.00 145.42 1lk3 n PRO 153 Ca -0.16 -0.43 -0.31 0.00 -0.04 0.00 0.00 63.50 62.57 1lk3 n PRO 153 Cb 0.57 -0.10 0.06 0.00 -0.04 0.00 0.00 33.50 33.99 1lk3 n PRO 153 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1lk3 s GLU 154 N -2.77 2.69 0.51 0.54 0.41 -1.26 -4.78 118.70 114.04 1lk3 s GLU 154 Ca 0.10 0.93 0.04 0.00 -0.41 0.00 0.00 54.97 55.63 1lk3 s GLU 154 Cb -0.01 -1.96 0.04 0.00 -1.78 0.00 0.00 34.13 30.42 1lk3 s GLU 154 CO 0.07 -1.27 0.36 -0.35 -0.49 0.00 0.00 175.26 173.58 1lk3 n PRO 155 N -3.24 0.74 -4.29 0.39 -0.04 -1.26 -4.97 135.00 122.33 1lk3 n PRO 155 Ca 0.08 -3.25 -0.17 0.00 -0.04 0.00 0.00 63.50 60.12 1lk3 n PRO 155 Cb 0.54 0.39 -0.10 0.00 -0.04 0.00 0.00 33.50 34.29 1lk3 n PRO 155 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1lk3 s VAL 156 N -2.58 1.44 -0.06 0.52 -7.23 -1.26 -4.46 120.40 106.77 1lk3 s VAL 156 Ca 0.27 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.46 1lk3 s VAL 156 Cb -0.02 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 1lk3 s VAL 156 CO 0.17 -0.60 -0.23 0.42 -0.31 0.00 0.00 175.10 174.54 1lk3 s THR 157 N -2.89 1.94 -0.09 5.32 -4.23 -0.15 -4.97 115.64 110.57 1lk3 s THR 157 Ca 0.17 -0.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 1lk3 s THR 157 Cb -0.01 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.19 1lk3 s THR 157 CO 0.04 0.54 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.78 1lk3 s VAL 158 N -0.05 1.66 0.29 2.29 1.01 -1.26 -1.17 120.40 123.17 1lk3 s VAL 158 Ca -0.06 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1lk3 s VAL 158 Cb -0.14 -1.47 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 1lk3 s VAL 158 CO 0.04 0.47 0.03 0.42 0.00 0.00 0.00 175.10 176.07 1lk3 s THR 159 N 0.53 1.15 -0.07 3.92 -4.23 -0.55 -4.96 115.64 111.42 1lk3 s THR 159 Ca -0.16 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.37 1lk3 s THR 159 Cb -0.17 -2.63 -0.00 0.00 1.34 0.00 0.00 72.50 71.04 1lk3 s THR 159 CO 0.06 -0.12 -0.22 0.26 -0.54 0.00 0.00 174.62 174.06 1lk3 s TRP 160 N -3.34 2.27 -1.45 3.99 0.52 -1.26 -0.64 118.94 119.03 1lk3 s TRP 160 Ca 0.34 -0.80 -0.06 0.00 0.02 0.00 0.00 56.10 55.59 1lk3 s TRP 160 Cb 0.07 -1.52 0.04 0.00 -1.15 0.00 0.00 33.47 30.92 1lk3 s TRP 160 CO 0.13 -0.30 0.71 0.09 0.02 0.00 0.00 176.95 177.61 1lk3 n ASN 161 N 3.31 -2.20 -2.40 2.95 4.13 0.02 -1.15 115.26 119.93 1lk3 n ASN 161 Ca -0.19 -0.88 -0.21 0.00 1.68 0.00 0.00 54.58 54.98 1lk3 n ASN 161 Cb 0.52 -3.58 -0.00 0.00 -1.54 0.00 0.00 39.78 35.18 1lk3 n ASN 161 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1lk3 n SER 162 N -2.93 -5.85 0.00 6.41 7.64 -1.26 -1.62 113.62 116.02 1lk3 n SER 162 Ca -0.16 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.67 1lk3 n SER 162 Cb 0.62 -4.84 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 1lk3 n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lk3 n GLY 163 N -1.07 1.42 0.25 0.23 0.00 -0.30 -4.89 105.19 100.83 1lk3 n GLY 163 Ca -0.23 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.93 1lk3 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lk3 h ALA 164 N 0.00 0.99 -3.34 4.61 0.00 -1.21 -3.39 119.26 116.93 1lk3 h ALA 164 Ca 0.00 -0.04 -0.69 0.00 0.00 0.00 0.00 54.91 54.18 1lk3 h ALA 164 Cb 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 17.44 1lk3 h ALA 164 CO 0.00 0.06 -0.63 -1.17 0.00 0.00 0.00 179.25 177.51 1lk3 s LEU 165 N -6.27 4.64 -0.01 0.00 2.96 -0.92 -4.91 118.68 114.16 1lk3 s LEU 165 Ca 0.03 -1.71 0.03 0.00 -0.22 0.00 0.00 54.13 52.26 1lk3 s LEU 165 Cb 0.08 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1lk3 s LEU 165 CO 0.60 -0.41 0.06 -1.54 -1.32 0.00 0.00 176.35 173.74 1lk3 n SER 166 N 4.58 4.29 -4.82 3.68 3.41 -1.26 -4.10 113.62 119.41 1lk3 n SER 166 Ca -0.06 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.20 1lk3 n SER 166 Cb 0.42 1.03 -0.06 0.00 -0.26 0.00 0.00 64.21 65.34 1lk3 n SER 166 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1lk3 s SER 167 N -2.55 7.02 -0.27 4.04 0.15 -1.26 -3.77 113.70 117.06 1lk3 s SER 167 Ca -0.01 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.18 1lk3 s SER 167 Cb 0.02 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1lk3 s SER 167 CO 0.13 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1lk3 n GLY 168 N 0.06 0.59 3.79 9.45 0.00 -1.26 -4.65 105.19 113.16 1lk3 n GLY 168 Ca 0.03 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 1lk3 n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lk3 s VAL 169 N -2.04 4.94 -0.10 1.61 1.01 -1.25 -1.26 120.40 123.31 1lk3 s VAL 169 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1lk3 s VAL 169 Cb 0.00 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 33.29 1lk3 s VAL 169 CO 0.00 0.60 0.00 -1.00 0.00 0.00 0.00 175.10 174.71 1lk3 s HIS 170 N -0.97 0.81 -0.24 5.22 3.76 -0.37 -5.00 115.29 118.50 1lk3 s HIS 170 Ca 0.14 -0.37 -0.02 0.00 -0.15 0.00 0.00 55.06 54.67 1lk3 s HIS 170 Cb -0.12 -0.88 0.02 0.00 1.11 0.00 0.00 32.58 32.71 1lk3 s HIS 170 CO 0.04 -0.41 -0.07 0.99 -0.85 0.00 0.00 174.74 174.43 1lk3 s THR 171 N 1.93 2.83 0.35 1.30 2.01 -1.26 -0.72 115.64 122.08 1lk3 s THR 171 Ca 0.04 -0.97 -0.21 0.00 0.31 0.00 0.00 61.69 60.86 1lk3 s THR 171 Cb -0.13 -2.40 -0.10 0.00 0.01 0.00 0.00 72.50 69.88 1lk3 s THR 171 CO -0.06 0.26 0.87 -0.36 -0.69 0.00 0.00 174.62 174.63 1lk3 s PHE 172 N 1.33 3.46 0.42 4.92 0.40 -0.25 -5.00 117.98 123.25 1lk3 s PHE 172 Ca 0.01 1.53 -0.26 0.00 -0.60 0.00 0.00 56.93 57.61 1lk3 s PHE 172 Cb -0.16 -2.76 -0.10 0.00 0.51 0.00 0.00 43.02 40.51 1lk3 s PHE 172 CO -0.05 0.07 1.31 -2.30 0.70 0.00 0.00 175.22 174.94 1lk3 n PRO 173 N -0.12 2.03 -2.21 0.24 -0.02 -1.26 -4.45 135.00 129.20 1lk3 n PRO 173 Ca 0.04 0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 61.89 1lk3 n PRO 173 Cb 0.53 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1lk3 n PRO 173 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lk3 s ALA 174 N -1.18 2.67 -0.04 3.55 0.00 -1.26 -4.81 121.76 120.69 1lk3 s ALA 174 Ca 0.60 0.84 0.05 0.00 0.00 0.00 0.00 51.96 53.45 1lk3 s ALA 174 Cb -0.50 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 1lk3 s ALA 174 CO 0.59 -0.83 -0.17 0.14 0.00 0.00 0.00 175.76 175.48 1lk3 s VAL 175 N -1.76 2.80 -0.20 0.00 -7.23 -0.45 -4.91 120.40 108.64 1lk3 s VAL 175 Ca 0.73 -0.85 -0.11 0.00 -1.81 0.00 0.00 61.98 59.94 1lk3 s VAL 175 Cb -0.25 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 1lk3 s VAL 175 CO 0.28 0.57 0.16 -0.22 -0.31 0.00 0.00 175.10 175.58 1lk3 s LEU 176 N -0.76 4.21 -0.18 1.32 2.96 -1.26 -1.60 118.68 123.36 1lk3 s LEU 176 Ca 0.11 0.27 -0.08 0.00 -0.22 0.00 0.00 54.13 54.22 1lk3 s LEU 176 Cb -0.10 -2.14 0.08 0.00 0.50 0.00 0.00 46.19 44.52 1lk3 s LEU 176 CO 0.01 0.15 0.40 -1.58 -1.32 0.00 0.00 176.35 174.01 1lk3 s GLN 177 N 0.44 0.33 -1.57 1.98 0.74 -0.00 -4.88 119.66 116.71 1lk3 s GLN 177 Ca 0.09 0.93 -0.04 0.00 0.05 0.00 0.00 55.36 56.39 1lk3 s GLN 177 Cb -0.12 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.18 1lk3 s GLN 177 CO -0.00 -0.22 0.58 0.43 -0.55 0.00 0.00 175.29 175.52 1lk3 n SER 178 N 5.00 -6.14 0.00 6.67 7.64 -1.26 -1.99 113.62 123.54 1lk3 n SER 178 Ca -0.13 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1lk3 n SER 178 Cb 0.51 -4.96 0.00 0.00 -1.01 0.00 0.00 64.21 58.75 1lk3 n SER 178 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lk3 n GLY 179 N -1.51 0.74 3.19 0.23 0.00 -1.26 -5.03 105.19 101.56 1lk3 n GLY 179 Ca -0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1lk3 n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lk3 s LEU 180 N 0.00 2.20 0.06 0.99 1.43 -0.84 -4.83 118.68 117.69 1lk3 s LEU 180 Ca 0.00 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1lk3 s LEU 180 Cb 0.00 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 1lk3 s LEU 180 CO 0.00 0.05 0.28 -0.31 0.23 0.00 0.00 176.35 176.61 1lk3 s TYR 181 N -0.92 3.53 -0.01 0.29 2.02 0.11 -0.82 117.35 121.55 1lk3 s TYR 181 Ca 0.03 0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 57.20 1lk3 s TYR 181 Cb -0.09 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.55 1lk3 s TYR 181 CO 0.02 0.55 0.03 0.99 -1.57 0.00 0.00 175.55 175.57 1lk3 s THR 182 N -1.46 -0.02 0.08 -0.71 2.01 -0.63 -1.37 115.64 113.54 1lk3 s THR 182 Ca 0.34 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.36 1lk3 s THR 182 Cb -0.13 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 1lk3 s THR 182 CO 0.22 0.02 0.05 -1.48 -0.69 0.00 0.00 174.62 172.74 1lk3 s LEU 183 N 0.30 2.04 0.12 4.42 0.05 -0.12 -1.35 118.68 124.15 1lk3 s LEU 183 Ca -0.02 -0.95 0.10 0.00 0.05 0.00 0.00 54.13 53.31 1lk3 s LEU 183 Cb -0.04 0.46 -0.04 0.00 -2.05 0.00 0.00 46.19 44.53 1lk3 s LEU 183 CO -0.01 -0.67 -0.25 -0.89 -0.55 0.00 0.00 176.35 173.99 1lk3 s THR 184 N -3.93 2.05 -0.01 5.48 2.01 -1.26 -0.44 115.64 119.54 1lk3 s THR 184 Ca 0.10 -1.69 0.01 0.00 0.31 0.00 0.00 61.69 60.42 1lk3 s THR 184 Cb 0.07 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.75 1lk3 s THR 184 CO -0.08 0.02 -0.02 -0.55 -0.69 0.00 0.00 174.62 173.31 1lk3 s SER 185 N -2.02 0.31 0.14 3.53 0.15 -0.75 -1.09 113.70 113.97 1lk3 s SER 185 Ca 0.11 -0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.77 1lk3 s SER 185 Cb -0.10 -0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 1lk3 s SER 185 CO 0.05 0.00 -0.11 -0.94 1.20 0.00 0.00 173.24 173.45 1lk3 s SER 186 N 0.16 1.80 0.01 5.45 1.04 0.10 -0.89 113.70 121.37 1lk3 s SER 186 Ca -0.01 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 55.46 1lk3 s SER 186 Cb -0.04 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 1lk3 s SER 186 CO -0.00 -0.28 -0.00 0.54 0.98 0.00 0.00 173.24 174.47 1lk3 s VAL 187 N -2.97 0.07 -0.11 5.02 0.11 -0.19 -1.23 120.40 121.10 1lk3 s VAL 187 Ca 0.14 -0.60 0.04 0.00 -2.93 0.00 0.00 61.98 58.62 1lk3 s VAL 187 Cb 0.00 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 1lk3 s VAL 187 CO 0.01 -0.33 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.33 1lk3 s THR 188 N -0.99 2.05 0.22 5.04 2.01 -0.39 -1.15 115.64 122.43 1lk3 s THR 188 Ca -0.11 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 60.90 1lk3 s THR 188 Cb -0.07 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 1lk3 s THR 188 CO -0.00 0.55 0.05 0.68 -0.69 0.00 0.00 174.62 175.21 1lk3 s VAL 189 N 0.49 0.59 0.23 3.82 -7.23 -0.48 -4.70 120.40 113.12 1lk3 s VAL 189 Ca -0.15 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 57.72 1lk3 s VAL 189 Cb -0.17 -2.39 -0.10 0.00 0.56 0.00 0.00 36.38 34.27 1lk3 s VAL 189 CO 0.06 -0.22 1.49 -2.84 -0.31 0.00 0.00 175.10 173.28 1lk3 s PRO 190 N -3.98 4.23 0.45 4.82 0.02 -1.26 -0.40 135.00 138.88 1lk3 s PRO 190 Ca 0.31 2.36 0.18 0.00 0.02 0.00 0.00 61.00 63.87 1lk3 s PRO 190 Cb 0.07 -3.11 1.13 0.00 0.02 0.00 0.00 34.50 32.61 1lk3 s PRO 190 CO 0.09 -0.50 1.93 0.77 -0.33 0.00 0.00 177.00 178.96 1lk3 h SER 191 N 5.44 0.31 0.52 2.53 0.02 -0.99 -1.18 113.55 120.19 1lk3 h SER 191 Ca -0.45 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1lk3 h SER 191 Cb 1.21 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1lk3 h SER 191 CO 0.81 0.16 0.00 -1.54 -1.14 0.00 0.00 176.83 175.12 1lk3 n SER 192 N -4.45 0.00 -0.52 3.07 3.41 -1.26 -3.21 113.62 110.65 1lk3 n SER 192 Ca 0.14 0.37 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 1lk3 n SER 192 Cb 0.57 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1lk3 n SER 192 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1lk3 n THR 193 N -1.44 0.00 -4.77 6.66 -2.24 -0.45 -4.84 114.28 107.19 1lk3 n THR 193 Ca 0.05 -0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.30 1lk3 n THR 193 Cb 0.19 1.27 -0.15 0.00 -2.10 0.00 0.00 70.33 69.53 1lk3 n THR 193 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1lk3 s TRP 194 N -2.34 1.47 -2.09 4.78 -0.00 -1.20 0.59 118.94 120.16 1lk3 s TRP 194 Ca 0.18 -0.29 0.31 0.00 -0.00 0.00 0.00 56.10 56.31 1lk3 s TRP 194 Cb 0.17 -0.95 1.72 0.00 -0.00 0.00 0.00 33.47 34.41 1lk3 s TRP 194 CO 0.52 -0.03 2.12 -0.35 -0.00 0.00 0.00 176.95 179.21 1lk3 n PRO 195 N 2.71 1.12 -0.25 5.86 -0.04 -1.26 -4.92 135.00 138.23 1lk3 n PRO 195 Ca -0.15 -0.20 0.04 0.00 -0.04 0.00 0.00 63.50 63.15 1lk3 n PRO 195 Cb 0.54 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.68 1lk3 n PRO 195 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1lk3 h SER 196 N 0.49 0.30 -3.45 3.54 4.64 -1.88 -3.36 113.55 113.83 1lk3 h SER 196 Ca 0.00 0.10 -0.62 0.00 -0.47 0.00 0.00 61.79 60.80 1lk3 h SER 196 Cb 0.11 0.07 -0.16 0.00 -0.31 0.00 0.00 62.40 62.11 1lk3 h SER 196 CO 0.00 0.13 -0.55 -1.10 -0.87 0.00 0.00 176.83 174.44 1lk3 s GLN 197 N -6.03 3.97 0.66 4.77 -0.21 0.20 -5.07 119.66 117.94 1lk3 s GLN 197 Ca -0.12 -0.33 -0.16 0.00 0.02 0.00 0.00 55.36 54.76 1lk3 s GLN 197 Cb 0.20 -3.36 -0.00 0.00 1.00 0.00 0.00 33.01 30.85 1lk3 s GLN 197 CO 0.76 0.12 1.15 0.95 -2.12 0.00 0.00 175.29 176.16 1lk3 s THR 198 N 0.82 2.88 -0.07 -0.19 -4.23 -1.26 -4.47 115.64 109.12 1lk3 s THR 198 Ca 0.05 0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 60.99 1lk3 s THR 198 Cb -0.13 -3.02 0.04 0.00 1.34 0.00 0.00 72.50 70.73 1lk3 s THR 198 CO 0.02 -0.21 0.08 -0.69 -0.54 0.00 0.00 174.62 173.27 1lk3 s VAL 199 N -2.07 -0.12 -0.02 2.29 1.01 -1.26 -5.00 120.40 115.23 1lk3 s VAL 199 Ca 0.71 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.99 1lk3 s VAL 199 Cb -0.25 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 35.90 1lk3 s VAL 199 CO 0.40 0.08 -0.01 -0.89 0.00 0.00 0.00 175.10 174.67 1lk3 s THR 200 N 2.17 0.20 0.11 3.92 2.01 -1.26 -0.70 115.64 122.10 1lk3 s THR 200 Ca 0.04 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 61.97 1lk3 s THR 200 Cb -0.13 -0.26 -0.06 0.00 0.01 0.00 0.00 72.50 72.06 1lk3 s THR 200 CO -0.05 0.13 0.44 0.00 -0.69 0.00 0.00 174.62 174.45 1lk3 s ASN 202 N -1.87 3.62 -0.18 0.00 -0.87 0.18 -1.33 114.94 114.50 1lk3 s ASN 202 Ca 0.36 -0.73 -0.01 0.00 -1.57 0.00 0.00 52.86 50.91 1lk3 s ASN 202 Cb -0.14 -1.55 -0.00 0.00 -0.02 0.00 0.00 41.25 39.54 1lk3 s ASN 202 CO 0.19 -0.04 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.88 1lk3 s VAL 203 N 1.30 2.98 -0.08 1.60 1.01 0.80 -1.48 120.40 126.53 1lk3 s VAL 203 Ca 0.03 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1lk3 s VAL 203 Cb -0.14 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1lk3 s VAL 203 CO -0.09 0.48 -0.19 0.00 0.00 0.00 0.00 175.10 175.30 1lk3 s ALA 204 N 1.04 2.40 -0.46 5.51 0.00 -0.32 -0.10 121.76 129.84 1lk3 s ALA 204 Ca -0.01 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1lk3 s ALA 204 Cb -0.15 -0.91 0.14 0.00 0.00 0.00 0.00 23.12 22.20 1lk3 s ALA 204 CO -0.02 0.38 0.25 -1.58 0.00 0.00 0.00 175.76 174.79 1lk3 s HIS 205 N -0.06 2.16 0.24 0.00 2.46 0.15 -0.98 115.29 119.26 1lk3 s HIS 205 Ca -0.05 -2.54 -0.09 0.00 0.47 0.00 0.00 55.06 52.85 1lk3 s HIS 205 Cb -0.14 -2.00 0.39 0.00 -0.13 0.00 0.00 32.58 30.69 1lk3 s HIS 205 CO 0.04 -0.77 1.63 -1.35 -2.47 0.00 0.00 174.74 171.82 1lk3 h PRO 206 N 6.63 0.07 -0.61 2.88 0.11 -1.78 -1.37 132.00 137.93 1lk3 h PRO 206 Ca -0.01 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.20 1lk3 h PRO 206 Cb 0.92 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.97 1lk3 h PRO 206 CO 0.51 0.05 0.41 0.00 -0.21 0.00 0.00 178.00 178.76 1lk3 h ALA 207 N 1.70 2.00 -0.50 -0.75 0.00 -1.92 0.41 119.26 120.21 1lk3 h ALA 207 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1lk3 h ALA 207 Cb 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1lk3 h ALA 207 CO -0.68 -0.13 0.00 -1.13 0.00 0.00 0.00 179.25 177.31 1lk3 n SER 208 N -4.47 4.10 -3.91 0.00 3.41 -0.88 -4.96 113.62 106.91 1lk3 n SER 208 Ca 0.10 -2.43 -0.27 0.00 -0.26 0.00 0.00 58.87 56.01 1lk3 n SER 208 Cb 0.37 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1lk3 n SER 208 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1lk3 n SER 209 N 0.66 -1.87 -4.47 4.04 7.64 0.13 -4.94 113.62 114.81 1lk3 n SER 209 Ca 0.21 -0.91 -0.33 0.00 1.01 0.00 0.00 58.87 58.85 1lk3 n SER 209 Cb 0.76 -3.48 -0.13 0.00 -1.01 0.00 0.00 64.21 60.36 1lk3 n SER 209 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1lk3 s THR 210 N -3.65 3.46 -0.19 0.44 2.01 -0.57 -4.99 115.64 112.14 1lk3 s THR 210 Ca 0.24 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 1lk3 s THR 210 Cb -0.12 -2.45 0.07 0.00 0.01 0.00 0.00 72.50 70.00 1lk3 s THR 210 CO 0.86 0.54 0.10 -0.54 -0.69 0.00 0.00 174.62 174.89 1lk3 s LYS 211 N -0.04 0.08 0.06 4.92 1.02 -1.26 0.33 119.74 124.85 1lk3 s LYS 211 Ca -0.01 -0.16 0.07 0.00 0.02 0.00 0.00 55.97 55.89 1lk3 s LYS 211 Cb -0.14 -1.71 -0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1lk3 s LYS 211 CO 0.03 -0.73 -0.20 0.08 -0.92 0.00 0.00 175.35 173.61 1lk3 s VAL 212 N 2.13 1.62 -0.06 3.17 1.01 0.86 -4.97 120.40 124.16 1lk3 s VAL 212 Ca 0.03 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 60.79 1lk3 s VAL 212 Cb -0.16 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1lk3 s VAL 212 CO -0.14 0.12 -0.15 -1.81 0.00 0.00 0.00 175.10 173.13 1lk3 s ASP 213 N -1.34 3.97 -0.20 3.32 1.01 -1.26 -0.14 116.67 122.04 1lk3 s ASP 213 Ca 0.07 -0.24 -0.02 0.00 0.71 0.00 0.00 52.55 53.07 1lk3 s ASP 213 Cb -0.09 -0.98 0.06 0.00 1.01 0.00 0.00 42.92 42.92 1lk3 s ASP 213 CO 0.02 0.31 0.02 -0.75 0.21 0.00 0.00 175.17 174.98 1lk3 s LYS 214 N -0.51 0.85 0.07 8.23 2.47 -0.44 -4.98 119.74 125.43 1lk3 s LYS 214 Ca 0.07 -0.51 -0.30 0.00 -1.56 0.00 0.00 55.97 53.67 1lk3 s LYS 214 Cb -0.12 -2.15 -0.05 0.00 -1.46 0.00 0.00 37.83 34.06 1lk3 s LYS 214 CO 0.02 -0.61 0.98 0.21 0.16 0.00 0.00 175.35 176.10 1lk3 s LYS 215 N 1.77 4.63 -0.31 4.03 2.20 -1.26 -1.87 119.74 128.93 1lk3 s LYS 215 Ca -0.02 1.46 -0.19 0.00 -0.36 0.00 0.00 55.97 56.87 1lk3 s LYS 215 Cb -0.17 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 1lk3 s LYS 215 CO -0.08 0.08 0.54 0.42 -0.36 0.00 0.00 175.35 175.96 1lk3 s ILE 216 N 0.45 5.01 0.23 5.43 -1.09 0.12 -4.96 121.20 126.39 1lk3 s ILE 216 Ca 0.50 0.65 0.11 0.00 -2.23 0.00 0.00 60.65 59.67 1lk3 s ILE 216 Cb -0.23 -3.93 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 1lk3 s ILE 216 CO 0.29 -0.10 -0.21 0.68 -1.23 0.00 0.00 174.94 174.37 1lk3 s VAL 217 N 2.43 2.33 0.52 2.92 -7.23 -1.26 -4.62 120.40 115.50 1lk3 s VAL 217 Ca 0.21 -2.20 -0.23 0.00 -1.81 0.00 0.00 61.98 57.96 1lk3 s VAL 217 Cb -0.15 -2.18 -0.06 0.00 0.56 0.00 0.00 36.38 34.55 1lk3 s VAL 217 CO 0.12 -0.28 1.39 -2.84 -0.31 0.00 0.00 175.10 173.17 1lk3 s PRO 218 N -3.10 3.27 0.00 4.82 0.02 -1.26 -4.88 135.00 133.87 1lk3 s PRO 218 Ca 0.25 2.31 0.31 0.00 0.02 0.00 0.00 61.00 63.88 1lk3 s PRO 218 Cb -0.06 -2.36 1.84 0.00 0.02 0.00 0.00 34.50 33.94 1lk3 s PRO 218 CO 0.12 -1.11 2.17 0.54 -0.33 0.00 0.00 177.00 178.38