#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ln3 n SER 9 N 0.00 2.61 0.15 4.37 3.41 -1.26 -5.02 113.62 117.88 1ln3 n SER 9 Ca 0.00 -2.71 -0.14 0.00 -0.26 0.00 0.00 58.87 55.76 1ln3 n SER 9 Cb 0.00 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 1ln3 n SER 9 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ln3 h GLU 10 N 0.00 -0.35 0.00 4.33 4.39 -2.06 -3.24 114.58 117.64 1ln3 h GLU 10 Ca -0.32 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1ln3 h GLU 10 Cb 1.15 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1ln3 h GLU 10 CO 0.50 -0.23 0.00 0.39 -1.16 0.00 0.00 179.01 178.50 1ln3 n GLU 11 N -5.27 0.00 -0.27 2.33 1.02 -1.26 -2.12 120.64 115.07 1ln3 n GLU 11 Ca -0.09 0.34 -0.09 0.00 -0.02 0.00 0.00 57.16 57.31 1ln3 n GLU 11 Cb 0.19 -0.61 -0.05 0.00 -0.02 0.00 0.00 31.44 30.94 1ln3 n GLU 11 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ln3 h GLN 12 N 0.00 -0.17 -0.70 3.49 4.20 -1.97 -1.97 115.11 118.00 1ln3 h GLN 12 Ca 0.00 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.80 1ln3 h GLN 12 Cb 0.00 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 27.71 1ln3 h GLN 12 CO 0.00 -0.11 -0.56 0.74 -0.67 0.00 0.00 178.83 178.23 1ln3 h PHE 13 N -0.17 -1.73 -1.00 2.96 -1.00 -1.46 0.17 116.94 114.71 1ln3 h PHE 13 Ca 0.18 0.10 0.10 0.00 2.81 0.00 0.00 57.97 61.16 1ln3 h PHE 13 Cb 0.54 0.85 -0.08 0.00 3.61 0.00 0.00 35.95 40.87 1ln3 h PHE 13 CO -0.81 -0.43 0.64 -1.49 -1.61 0.00 0.00 178.31 174.61 1ln3 h TRP 14 N -0.20 1.17 -0.93 -0.55 4.06 -1.24 -1.39 115.95 116.86 1ln3 h TRP 14 Ca 0.13 0.03 0.16 0.00 2.06 0.00 0.00 58.89 61.27 1ln3 h TRP 14 Cb 0.51 -0.38 -0.10 0.00 -1.00 0.00 0.00 29.16 28.20 1ln3 h TRP 14 CO -0.86 0.52 0.53 0.93 -3.56 0.00 0.00 178.44 176.00 1ln3 h GLU 15 N 1.07 0.71 0.00 0.49 5.08 -0.20 0.94 114.58 122.67 1ln3 h GLU 15 Ca 0.47 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.78 1ln3 h GLU 15 Cb 0.36 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1ln3 h GLU 15 CO -0.23 0.47 -0.04 0.00 -1.00 0.00 0.00 179.01 178.22 1ln3 h ALA 16 N 1.59 1.31 0.00 3.43 0.00 -0.69 -2.40 119.26 122.49 1ln3 h ALA 16 Ca 0.51 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 1ln3 h ALA 16 Cb 0.71 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1ln3 h ALA 16 CO -0.35 0.05 -0.25 0.00 0.00 0.00 0.00 179.25 178.69 1ln3 n ALA 18 N -2.18 -0.21 0.19 0.00 0.00 -0.90 -2.17 120.51 115.23 1ln3 n ALA 18 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.55 1ln3 n ALA 18 Cb 0.58 0.11 0.47 0.00 0.00 0.00 0.00 19.45 20.61 1ln3 n ALA 18 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ln3 h GLU 19 N 0.00 0.00 0.32 0.00 5.08 -1.76 0.20 114.58 118.43 1ln3 h GLU 19 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ln3 h GLU 19 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ln3 h GLU 19 CO 0.00 0.00 -0.16 1.25 -1.00 0.00 0.00 179.01 179.10 1ln3 h LEU 20 N 0.00 -0.37 0.78 1.33 5.85 -1.62 -2.84 115.31 118.45 1ln3 h LEU 20 Ca 0.00 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1ln3 h LEU 20 Cb 0.48 0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.62 1ln3 h LEU 20 CO 0.00 -0.13 -0.37 1.56 -0.34 0.00 0.00 178.44 179.15 1ln3 h GLN 21 N -0.59 -1.01 -4.96 1.25 1.08 -0.50 -3.43 115.11 106.94 1ln3 h GLN 21 Ca -0.04 0.07 -0.65 0.00 -1.45 0.00 0.00 58.65 56.57 1ln3 h GLN 21 Cb 0.43 0.23 -0.35 0.00 -0.05 0.00 0.00 27.48 27.74 1ln3 h GLN 21 CO 0.07 -0.66 -0.85 -1.14 -0.95 0.00 0.00 178.83 175.30 1ln3 s GLN 22 N -5.52 2.79 -0.78 1.46 2.00 -0.21 -5.08 119.66 114.33 1ln3 s GLN 22 Ca -0.17 -0.75 -0.25 0.00 -2.00 0.00 0.00 55.36 52.18 1ln3 s GLN 22 Cb 0.02 -2.42 -0.02 0.00 0.80 0.00 0.00 33.01 31.39 1ln3 s GLN 22 CO 0.55 -0.20 1.78 -2.14 -0.50 0.00 0.00 175.29 174.78 1ln3 s PRO 23 N 1.30 2.77 -0.71 1.67 0.02 -1.08 -3.38 135.00 135.57 1ln3 s PRO 23 Ca 0.04 -0.01 -0.25 0.00 0.02 0.00 0.00 61.00 60.80 1ln3 s PRO 23 Cb -0.13 -4.72 0.05 0.00 0.02 0.00 0.00 34.50 29.72 1ln3 s PRO 23 CO -0.11 -2.85 1.16 0.00 -0.33 0.00 0.00 177.00 174.86 1ln3 s ALA 24 N 8.64 2.90 0.00 -1.55 0.00 -1.26 -4.68 121.76 125.81 1ln3 s ALA 24 Ca 0.62 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1ln3 s ALA 24 Cb -0.09 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 18.93 1ln3 s ALA 24 CO 0.09 -3.09 0.00 1.28 0.00 0.00 0.00 175.76 174.04 1ln3 n LEU 25 N 8.67 0.00 -0.04 0.00 4.77 -1.26 -4.74 117.00 124.40 1ln3 n LEU 25 Ca 0.01 -0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 55.63 1ln3 n LEU 25 Cb 0.48 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 1ln3 n LEU 25 CO 0.68 0.00 0.60 0.00 -1.33 0.00 0.00 177.39 177.34 1ln3 h ALA 26 N 0.00 -0.45 0.00 -1.18 0.00 -2.02 -3.29 119.26 112.32 1ln3 h ALA 26 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ln3 h ALA 26 Cb 0.00 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ln3 h ALA 26 CO 0.00 -0.86 0.00 0.41 0.00 0.00 0.00 179.25 178.80 1ln3 n GLY 27 N -1.42 0.00 0.00 0.00 0.00 -1.26 -4.65 105.19 97.85 1ln3 n GLY 27 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ln3 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ln3 n ALA 28 N -0.98 0.00 -1.25 4.61 0.00 -1.24 -5.04 120.51 116.62 1ln3 n ALA 28 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1ln3 n ALA 28 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ln3 n ALA 28 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ln3 n ASP 29 N -1.25 3.83 -4.81 0.00 -0.08 -1.26 -4.95 116.55 108.02 1ln3 n ASP 29 Ca 0.00 -2.65 -0.30 0.00 -1.51 0.00 0.00 54.79 50.33 1ln3 n ASP 29 Cb 0.00 -1.29 0.09 0.00 2.34 0.00 0.00 41.12 42.25 1ln3 n ASP 29 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1ln3 s TRP 30 N 3.99 2.87 -0.09 -0.67 0.52 -1.26 -4.69 118.94 119.62 1ln3 s TRP 30 Ca 0.52 1.15 -0.07 0.00 0.02 0.00 0.00 56.10 57.72 1ln3 s TRP 30 Cb 0.14 -3.11 0.03 0.00 -1.15 0.00 0.00 33.47 29.38 1ln3 s TRP 30 CO 0.02 -1.71 0.24 -0.65 0.02 0.00 0.00 176.95 174.87 1ln3 s GLN 31 N -5.17 0.26 1.27 4.98 -0.21 -1.05 -4.91 119.66 114.83 1ln3 s GLN 31 Ca 0.60 0.38 -0.20 0.00 0.02 0.00 0.00 55.36 56.16 1ln3 s GLN 31 Cb -0.14 0.07 0.31 0.00 1.00 0.00 0.00 33.01 34.25 1ln3 s GLN 31 CO 0.54 -0.07 1.04 -1.17 -2.12 0.00 0.00 175.29 173.52 1ln3 s LEU 32 N 0.42 0.09 0.00 2.90 2.96 -1.26 -1.63 118.68 122.16 1ln3 s LEU 32 Ca -0.02 0.76 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 1ln3 s LEU 32 Cb -0.04 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.24 1ln3 s LEU 32 CO -0.02 -4.55 0.00 -0.11 -1.32 0.00 0.00 176.35 170.35 1ln3 n LEU 33 N -5.07 0.00 -3.49 -0.68 7.94 -0.84 -4.72 117.00 110.14 1ln3 n LEU 33 Ca 0.12 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.89 1ln3 n LEU 33 Cb 0.59 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.51 1ln3 n LEU 33 CO 0.45 0.00 0.51 -0.69 -1.11 0.00 0.00 177.39 176.55 1ln3 s VAL 34 N -0.69 0.00 -0.15 1.96 1.01 -1.25 -4.90 120.40 116.38 1ln3 s VAL 34 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1ln3 s VAL 34 Cb 0.00 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.45 1ln3 s VAL 34 CO 0.00 0.00 0.33 -1.61 0.00 0.00 0.00 175.10 173.82 1ln3 s GLU 35 N -2.51 0.25 -0.01 2.72 2.02 -1.21 -1.27 118.70 118.70 1ln3 s GLU 35 Ca -0.02 0.79 -0.29 0.00 0.02 0.00 0.00 54.97 55.46 1ln3 s GLU 35 Cb -0.01 0.04 0.07 0.00 0.10 0.00 0.00 34.13 34.34 1ln3 s GLU 35 CO -0.03 -0.23 0.68 0.99 0.02 0.00 0.00 175.26 176.69 1ln3 s THR 36 N 2.05 0.00 -0.11 3.63 2.01 0.24 -4.86 115.64 118.61 1ln3 s THR 36 Ca -0.04 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1ln3 s THR 36 Cb -0.11 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.40 1ln3 s THR 36 CO -0.10 0.00 0.00 -1.54 -0.69 0.00 0.00 174.62 172.29 1ln3 n SER 37 N 0.59 -0.86 -0.15 3.53 3.41 -1.26 0.25 113.62 119.13 1ln3 n SER 37 Ca -0.18 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1ln3 n SER 37 Cb 0.59 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1ln3 n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ln3 n GLY 38 N 0.08 0.95 2.96 5.00 0.00 -1.26 -4.51 105.19 108.41 1ln3 n GLY 38 Ca -0.01 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1ln3 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ln3 s ILE 39 N -2.24 -0.03 0.04 -0.61 1.01 0.71 0.19 121.20 120.27 1ln3 s ILE 39 Ca 0.00 0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.86 1ln3 s ILE 39 Cb 0.00 -0.23 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 1ln3 s ILE 39 CO 0.00 0.05 -0.25 -0.94 0.00 0.00 0.00 174.94 173.80 1ln3 s SER 40 N 0.82 3.01 -0.24 3.58 1.04 -0.33 0.83 113.70 122.41 1ln3 s SER 40 Ca -0.06 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 55.82 1ln3 s SER 40 Cb -0.08 -0.27 0.05 0.00 0.10 0.00 0.00 66.02 65.82 1ln3 s SER 40 CO -0.04 0.24 -0.13 -0.63 0.98 0.00 0.00 173.24 173.66 1ln3 s ILE 41 N -0.79 2.15 0.26 -1.02 1.09 -0.39 -2.52 121.20 119.97 1ln3 s ILE 41 Ca 0.11 -1.50 0.03 0.00 -1.10 0.00 0.00 60.65 58.20 1ln3 s ILE 41 Cb -0.10 -2.19 -0.03 0.00 -1.06 0.00 0.00 42.46 39.08 1ln3 s ILE 41 CO 0.02 0.09 0.40 -0.31 -0.10 0.00 0.00 174.94 175.03 1ln3 s TYR 42 N 1.14 3.47 -0.12 3.97 1.51 0.38 -2.00 117.35 125.70 1ln3 s TYR 42 Ca -0.06 0.10 -0.12 0.00 -1.01 0.00 0.00 57.07 55.98 1ln3 s TYR 42 Cb -0.19 -1.67 0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1ln3 s TYR 42 CO -0.07 0.37 0.34 -0.98 -1.11 0.00 0.00 175.55 174.10 1ln3 s ARG 43 N -3.97 0.41 -0.12 -0.62 1.70 -0.65 -0.52 118.95 115.18 1ln3 s ARG 43 Ca 0.36 0.44 0.02 0.00 -0.47 0.00 0.00 55.73 56.08 1ln3 s ARG 43 Cb -0.09 0.20 -0.00 0.00 -0.57 0.00 0.00 34.95 34.48 1ln3 s ARG 43 CO 0.31 -0.05 -0.19 -1.17 -1.08 0.00 0.00 175.30 173.11 1ln3 s LEU 44 N 0.11 2.34 -0.38 -1.89 2.96 0.10 -2.53 118.68 119.39 1ln3 s LEU 44 Ca -0.01 -0.48 -0.13 0.00 -0.22 0.00 0.00 54.13 53.29 1ln3 s LEU 44 Cb -0.02 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.17 1ln3 s LEU 44 CO 0.01 0.14 0.26 -0.22 -1.32 0.00 0.00 176.35 175.22 1ln3 s LEU 45 N 0.47 4.80 -0.40 -0.68 2.96 -1.26 -0.41 118.68 124.16 1ln3 s LEU 45 Ca -0.13 -0.73 -0.28 0.00 -0.22 0.00 0.00 54.13 52.77 1ln3 s LEU 45 Cb -0.17 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 1ln3 s LEU 45 CO 0.05 -0.35 1.66 -0.62 -1.32 0.00 0.00 176.35 175.77 1ln3 s ASP 46 N 1.67 5.98 0.58 3.68 2.15 -0.67 -4.84 116.67 125.23 1ln3 s ASP 46 Ca 0.05 0.99 0.39 0.00 0.43 0.00 0.00 52.55 54.41 1ln3 s ASP 46 Cb -0.18 -2.53 2.00 0.00 -0.30 0.00 0.00 42.92 41.91 1ln3 s ASP 46 CO 0.09 -1.69 2.17 0.11 -0.17 0.00 0.00 175.17 175.69 1ln3 h LYS 47 N 12.29 0.00 0.03 4.34 1.57 -1.95 0.61 116.57 133.47 1ln3 h LYS 47 Ca -0.31 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 1ln3 h LYS 47 Cb 1.14 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.46 1ln3 h LYS 47 CO 1.08 0.00 -0.21 0.87 -0.57 0.00 0.00 179.45 180.62 1ln3 h LYS 48 N 0.00 0.09 0.00 3.15 1.57 -1.96 -3.37 116.57 116.04 1ln3 h LYS 48 Ca 0.00 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 1ln3 h LYS 48 Cb 0.11 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1ln3 h LYS 48 CO 0.00 1.03 -1.22 1.79 -0.57 0.00 0.00 179.45 180.48 1ln3 h THR 49 N -0.79 0.46 0.00 -0.16 1.35 -1.93 -3.47 112.91 108.37 1ln3 h THR 49 Ca -0.04 -1.86 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 1ln3 h THR 49 Cb 1.13 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1ln3 h THR 49 CO 0.04 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 1ln3 n GLY 50 N 1.34 0.66 3.90 5.82 0.00 0.21 -5.02 105.19 112.10 1ln3 n GLY 50 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1ln3 n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ln3 s LEU 51 N 0.00 2.87 0.28 0.99 1.43 -1.21 -4.84 118.68 118.20 1ln3 s LEU 51 Ca 0.00 0.85 0.09 0.00 -1.03 0.00 0.00 54.13 54.04 1ln3 s LEU 51 Cb 0.00 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.60 1ln3 s LEU 51 CO 0.00 -1.45 -0.12 -0.31 0.23 0.00 0.00 176.35 174.70 1ln3 s TYR 52 N -3.31 2.10 -0.07 0.29 1.51 -1.26 -1.66 117.35 114.95 1ln3 s TYR 52 Ca 0.58 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 56.12 1ln3 s TYR 52 Cb -0.11 -1.09 0.02 0.00 -0.11 0.00 0.00 41.96 40.67 1ln3 s TYR 52 CO 0.49 0.48 -0.08 -2.00 -1.11 0.00 0.00 175.55 173.33 1ln3 s GLU 53 N -3.63 1.28 0.22 -0.62 2.12 0.45 -4.58 118.70 113.94 1ln3 s GLU 53 Ca 0.29 -0.23 0.08 0.00 0.36 0.00 0.00 54.97 55.47 1ln3 s GLU 53 Cb 0.00 -1.21 -0.04 0.00 0.26 0.00 0.00 34.13 33.14 1ln3 s GLU 53 CO 0.13 -0.09 0.01 0.71 -0.54 0.00 0.00 175.26 175.47 1ln3 s TYR 54 N 1.06 2.78 -0.07 5.30 1.51 -0.61 0.01 117.35 127.33 1ln3 s TYR 54 Ca -0.08 -0.18 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 1ln3 s TYR 54 Cb -0.14 -1.29 0.04 0.00 -0.11 0.00 0.00 41.96 40.45 1ln3 s TYR 54 CO -0.01 0.56 0.16 0.21 -1.11 0.00 0.00 175.55 175.37 1ln3 s LYS 55 N -3.34 0.13 -0.02 -0.62 2.20 0.32 -1.83 119.74 116.58 1ln3 s LYS 55 Ca 0.29 0.37 0.05 0.00 -0.36 0.00 0.00 55.97 56.32 1ln3 s LYS 55 Cb -0.08 -0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.11 1ln3 s LYS 55 CO 0.19 -0.14 -0.16 0.08 -0.36 0.00 0.00 175.35 174.96 1ln3 s VAL 56 N 0.99 1.28 0.15 4.02 1.01 -1.26 -0.47 120.40 126.11 1ln3 s VAL 56 Ca -0.07 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1ln3 s VAL 56 Cb -0.09 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1ln3 s VAL 56 CO -0.05 0.36 0.05 -0.36 0.00 0.00 0.00 175.10 175.10 1ln3 s PHE 57 N -0.31 0.99 -5.00 5.22 0.40 -1.05 -4.00 117.98 114.24 1ln3 s PHE 57 Ca 0.05 -1.19 0.00 0.00 -0.60 0.00 0.00 56.93 55.19 1ln3 s PHE 57 Cb -0.07 -0.55 0.00 0.00 0.51 0.00 0.00 43.02 42.91 1ln3 s PHE 57 CO -0.00 -0.44 0.00 0.41 0.70 0.00 0.00 175.22 175.88 1ln3 n GLY 58 N -0.15 -0.25 3.00 4.36 0.00 -1.05 -1.18 105.19 109.91 1ln3 n GLY 58 Ca -0.05 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1ln3 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ln3 s VAL 59 N -1.75 0.32 -0.39 1.61 1.01 0.50 -1.45 120.40 120.26 1ln3 s VAL 59 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1ln3 s VAL 59 Cb 0.00 -0.39 0.12 0.00 0.00 0.00 0.00 36.38 36.10 1ln3 s VAL 59 CO 0.00 -0.33 0.16 -0.76 0.00 0.00 0.00 175.10 174.18 1ln3 s LEU 60 N -1.21 3.09 0.67 3.92 1.43 -0.45 -4.14 118.68 121.99 1ln3 s LEU 60 Ca -0.10 -2.28 -0.14 0.00 -1.03 0.00 0.00 54.13 50.58 1ln3 s LEU 60 Cb -0.08 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 44.99 1ln3 s LEU 60 CO -0.00 -0.33 1.10 -1.61 0.23 0.00 0.00 176.35 175.74 1ln3 s GLU 61 N 0.78 2.76 0.00 1.70 8.01 -1.26 -1.52 118.70 129.17 1ln3 s GLU 61 Ca 0.14 1.32 0.00 0.00 0.01 0.00 0.00 54.97 56.44 1ln3 s GLU 61 Cb -0.21 -1.95 0.00 0.00 -4.31 0.00 0.00 34.13 27.65 1ln3 s GLU 61 CO -0.09 -1.27 0.00 -0.25 0.01 0.00 0.00 175.26 173.66 1ln3 n ASP 62 N -2.59 -2.84 -3.85 -0.19 8.00 -1.24 -4.72 116.55 109.11 1ln3 n ASP 62 Ca 0.10 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.30 1ln3 n ASP 62 Cb 0.52 -0.47 -0.14 0.00 -0.02 0.00 0.00 41.12 41.01 1ln3 n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ln3 n SER 64 N 3.72 2.00 -0.40 0.00 7.64 -1.26 -3.65 113.62 121.66 1ln3 n SER 64 Ca 0.05 0.89 0.32 0.00 1.01 0.00 0.00 58.87 61.14 1ln3 n SER 64 Cb 0.36 -1.11 0.60 0.00 -1.01 0.00 0.00 64.21 63.06 1ln3 n SER 64 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1ln3 h PRO 65 N 8.38 0.17 -0.35 1.43 0.11 -1.87 1.53 132.00 141.39 1ln3 h PRO 65 Ca -0.37 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.61 1ln3 h PRO 65 Cb 1.34 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1ln3 h PRO 65 CO 0.99 0.11 -0.23 0.00 -0.21 0.00 0.00 178.00 178.66 1ln3 h THR 66 N 0.18 1.29 0.78 -1.15 1.03 -1.96 -2.99 112.91 110.08 1ln3 h THR 66 Ca 0.76 -1.38 -0.04 0.00 -0.01 0.00 0.00 66.41 65.74 1ln3 h THR 66 Cb 2.23 1.41 0.01 0.00 -1.07 0.00 0.00 68.15 70.74 1ln3 h THR 66 CO -0.40 0.45 -0.38 -0.07 -0.01 0.00 0.00 175.52 175.11 1ln3 h LEU 67 N 0.56 -0.89 -0.88 0.00 3.38 0.17 -2.32 115.31 115.32 1ln3 h LEU 67 Ca 0.07 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.23 1ln3 h LEU 67 Cb 0.80 0.23 -0.16 0.00 0.09 0.00 0.00 40.66 41.62 1ln3 h LEU 67 CO 0.06 -0.56 -0.26 -0.11 0.09 0.00 0.00 178.44 177.66 1ln3 n LEU 68 N -5.25 -0.40 0.08 1.67 7.94 0.19 0.56 117.00 121.78 1ln3 n LEU 68 Ca -0.13 1.52 -0.13 0.00 -1.11 0.00 0.00 56.01 56.16 1ln3 n LEU 68 Cb 0.41 -0.42 -0.08 0.00 0.53 0.00 0.00 43.42 43.87 1ln3 n LEU 68 CO 0.32 -1.43 0.81 0.00 -1.11 0.00 0.00 177.39 175.98 1ln3 h ALA 69 N 1.57 -0.12 -0.05 1.96 0.00 -1.49 0.37 119.26 121.50 1ln3 h ALA 69 Ca 0.38 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.26 1ln3 h ALA 69 Cb 0.60 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1ln3 h ALA 69 CO -0.89 -0.54 -0.08 -0.44 0.00 0.00 0.00 179.25 177.30 1ln3 h ASP 70 N -0.19 -0.24 -0.11 0.00 3.45 -0.03 -0.85 116.42 118.46 1ln3 h ASP 70 Ca -0.01 0.04 0.03 0.00 0.43 0.00 0.00 57.03 57.52 1ln3 h ASP 70 Cb 0.15 0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1ln3 h ASP 70 CO 0.02 -0.11 0.09 0.40 -1.57 0.00 0.00 179.24 178.07 1ln3 h ILE 71 N -0.11 0.77 0.00 0.35 2.04 0.40 -1.89 117.51 119.06 1ln3 h ILE 71 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1ln3 h ILE 71 Cb 0.18 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1ln3 h ILE 71 CO -0.12 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.03 1ln3 n TYR 72 N -4.24 0.00 -2.60 1.37 9.36 0.13 -4.75 117.16 116.43 1ln3 n TYR 72 Ca -0.00 -0.20 -0.07 0.00 3.32 0.00 0.00 57.90 60.95 1ln3 n TYR 72 Cb 0.20 -0.15 0.01 0.00 -0.63 0.00 0.00 39.34 38.77 1ln3 n TYR 72 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1ln3 n ASP 74 N 0.48 -4.74 0.37 2.98 -0.08 -0.71 -5.08 116.55 109.77 1ln3 n ASP 74 Ca 0.00 0.20 -0.15 0.00 -1.51 0.00 0.00 54.79 53.33 1ln3 n ASP 74 Cb 0.27 -1.18 -0.07 0.00 2.34 0.00 0.00 41.12 42.47 1ln3 n ASP 74 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1ln3 h SER 75 N 2.64 -0.87 -0.74 1.67 0.02 -1.91 0.65 113.55 115.00 1ln3 h SER 75 Ca -0.10 0.04 0.27 0.00 -0.84 0.00 0.00 61.79 61.15 1ln3 h SER 75 Cb 0.82 0.23 -0.14 0.00 0.14 0.00 0.00 62.40 63.46 1ln3 h SER 75 CO 0.04 -0.59 0.23 0.47 -1.14 0.00 0.00 176.83 175.84 1ln3 n ASP 76 N -4.68 0.11 -0.05 3.07 10.43 -1.26 0.20 116.55 124.37 1ln3 n ASP 76 Ca -0.12 1.25 -0.18 0.00 2.57 0.00 0.00 54.79 58.31 1ln3 n ASP 76 Cb 0.39 -0.54 -0.13 0.00 1.84 0.00 0.00 41.12 42.68 1ln3 n ASP 76 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1ln3 h TYR 77 N 0.00 0.14 -0.76 1.24 3.20 -1.93 -3.04 116.97 115.82 1ln3 h TYR 77 Ca 0.55 -0.10 0.12 0.00 3.14 0.00 0.00 58.73 62.44 1ln3 h TYR 77 Cb 1.35 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 39.53 1ln3 h TYR 77 CO -0.17 1.28 0.37 -0.09 -1.64 0.00 0.00 178.16 177.91 1ln3 h ARG 78 N -0.80 0.57 -0.86 1.82 9.65 0.59 0.18 114.38 125.53 1ln3 h ARG 78 Ca -0.17 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 58.72 1ln3 h ARG 78 Cb 1.30 -0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 29.70 1ln3 h ARG 78 CO -0.04 0.38 0.55 0.87 2.80 0.00 0.00 179.97 184.53 1ln3 h LYS 79 N 0.58 1.01 -0.54 0.20 1.57 0.22 -1.03 116.57 118.58 1ln3 h LYS 79 Ca 0.39 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1ln3 h LYS 79 Cb 0.49 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1ln3 h LYS 79 CO -0.32 0.67 0.26 0.37 -0.57 0.00 0.00 179.45 179.86 1ln3 h GLN 80 N 1.04 0.76 0.00 3.15 4.15 -0.54 -3.34 115.11 120.32 1ln3 h GLN 80 Ca 0.36 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.69 1ln3 h GLN 80 Cb 0.07 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1ln3 h GLN 80 CO -0.14 0.59 -0.56 -2.67 -1.93 0.00 0.00 178.83 174.12 1ln3 n TRP 81 N -4.37 0.00 -2.78 3.99 4.27 -0.69 -4.93 117.44 112.92 1ln3 n TRP 81 Ca 0.05 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.23 1ln3 n TRP 81 Cb 0.12 -0.04 -0.03 0.00 -1.36 0.00 0.00 31.31 30.01 1ln3 n TRP 81 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1ln3 s ASP 82 N -1.83 6.50 0.46 -0.67 -1.08 -0.42 -4.90 116.67 114.74 1ln3 s ASP 82 Ca 0.01 -1.63 0.00 0.00 -0.52 0.00 0.00 52.55 50.41 1ln3 s ASP 82 Cb 0.04 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1ln3 s ASP 82 CO 0.20 -1.30 0.85 1.67 0.52 0.00 0.00 175.17 177.11 1ln3 n GLN 83 N 7.62 0.02 -0.25 4.34 7.27 -1.26 -0.52 117.38 134.60 1ln3 n GLN 83 Ca 0.22 0.67 0.09 0.00 0.07 0.00 0.00 57.00 58.05 1ln3 n GLN 83 Cb 0.49 -2.37 0.23 0.00 2.41 0.00 0.00 30.24 31.00 1ln3 n GLN 83 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1ln3 n TYR 84 N -2.05 0.66 -3.35 3.69 4.02 -1.26 -4.90 117.16 113.98 1ln3 n TYR 84 Ca 0.00 -0.43 -0.42 0.00 -0.01 0.00 0.00 57.90 57.04 1ln3 n TYR 84 Cb 0.85 -0.01 -0.09 0.00 -0.02 0.00 0.00 39.34 40.07 1ln3 n TYR 84 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1ln3 s VAL 85 N -1.07 5.11 -0.16 -0.72 1.01 0.32 -1.34 120.40 123.55 1ln3 s VAL 85 Ca 0.36 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 1ln3 s VAL 85 Cb 0.19 -3.92 -0.19 0.00 0.00 0.00 0.00 36.38 32.47 1ln3 s VAL 85 CO 0.26 -0.23 0.38 0.50 0.00 0.00 0.00 175.10 176.00 1ln3 h LYS 86 N 8.56 0.00 -3.83 2.72 1.63 -1.78 -3.48 116.57 120.39 1ln3 h LYS 86 Ca -0.28 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.34 1ln3 h LYS 86 Cb 1.13 0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 32.54 1ln3 h LYS 86 CO 0.74 0.81 -0.66 -2.00 -3.45 0.00 0.00 179.45 174.90 1ln3 s GLU 87 N -2.22 0.30 -0.29 1.90 2.56 -1.24 -4.98 118.70 114.73 1ln3 s GLU 87 Ca -0.21 -0.46 -0.16 0.00 0.00 0.00 0.00 54.97 54.15 1ln3 s GLU 87 Cb 0.01 0.11 0.12 0.00 2.00 0.00 0.00 34.13 36.38 1ln3 s GLU 87 CO 0.54 -0.05 0.87 -1.17 -0.56 0.00 0.00 175.26 174.88 1ln3 s LEU 88 N -1.19 -0.68 -0.06 2.70 2.96 -1.26 0.07 118.68 121.21 1ln3 s LEU 88 Ca -0.13 1.07 -0.29 0.00 -0.22 0.00 0.00 54.13 54.56 1ln3 s LEU 88 Cb -0.08 1.97 0.10 0.00 0.50 0.00 0.00 46.19 48.68 1ln3 s LEU 88 CO -0.00 -0.17 0.83 -0.72 -1.32 0.00 0.00 176.35 174.97 1ln3 s TYR 89 N 1.57 -0.48 0.20 5.38 -0.85 -0.66 -4.95 117.35 117.56 1ln3 s TYR 89 Ca -0.09 0.70 0.09 0.00 -0.52 0.00 0.00 57.07 57.25 1ln3 s TYR 89 Cb -0.05 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 1ln3 s TYR 89 CO -0.17 -0.52 -0.06 -1.21 -1.52 0.00 0.00 175.55 172.07 1ln3 s GLU 90 N -1.75 2.16 -0.01 -3.49 2.02 -1.26 -1.55 118.70 114.82 1ln3 s GLU 90 Ca -0.03 -1.28 -0.19 0.00 0.02 0.00 0.00 54.97 53.49 1ln3 s GLU 90 Cb -0.00 -2.19 0.03 0.00 0.10 0.00 0.00 34.13 32.07 1ln3 s GLU 90 CO 0.01 0.42 0.40 1.14 0.02 0.00 0.00 175.26 177.26 1ln3 s GLN 91 N -3.02 0.79 -0.14 1.61 -2.07 -0.78 -5.01 119.66 111.04 1ln3 s GLN 91 Ca 0.27 -0.13 -0.19 0.00 -1.82 0.00 0.00 55.36 53.49 1ln3 s GLN 91 Cb -0.08 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.16 1ln3 s GLN 91 CO 0.17 -0.24 0.51 -1.21 -1.32 0.00 0.00 175.29 173.20 1ln3 s GLU 92 N -1.50 4.31 -0.19 9.60 0.41 -1.26 -0.73 118.70 129.33 1ln3 s GLU 92 Ca -0.12 0.48 -0.01 0.00 -0.41 0.00 0.00 54.97 54.91 1ln3 s GLU 92 Cb -0.03 -3.47 0.05 0.00 -1.78 0.00 0.00 34.13 28.89 1ln3 s GLU 92 CO 0.04 0.06 -0.03 0.00 -0.49 0.00 0.00 175.26 174.84 1ln3 n ASN 94 N 4.86 0.00 -0.19 0.00 5.03 -1.26 -2.41 115.26 121.29 1ln3 n ASN 94 Ca -0.11 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.45 1ln3 n ASN 94 Cb 0.47 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.27 1ln3 n ASN 94 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ln3 n GLY 95 N 0.00 -0.67 3.83 7.41 0.00 -1.26 -4.97 105.19 109.53 1ln3 n GLY 95 Ca 0.00 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 1ln3 n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ln3 s GLU 96 N -2.77 2.99 -0.46 1.61 2.02 -1.01 -5.08 118.70 115.99 1ln3 s GLU 96 Ca 0.14 -0.90 -0.25 0.00 0.02 0.00 0.00 54.97 53.98 1ln3 s GLU 96 Cb 0.17 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 31.77 1ln3 s GLU 96 CO 0.70 0.46 0.90 0.99 0.02 0.00 0.00 175.26 178.33 1ln3 s THR 97 N -1.89 4.51 -0.15 3.63 2.01 -1.26 -1.22 115.64 121.28 1ln3 s THR 97 Ca 0.32 0.69 -0.08 0.00 0.31 0.00 0.00 61.69 62.93 1ln3 s THR 97 Cb -0.09 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 1ln3 s THR 97 CO 0.25 -0.81 0.13 -0.69 -0.69 0.00 0.00 174.62 172.81 1ln3 s VAL 98 N 3.66 5.41 -0.07 3.82 1.01 0.09 -3.13 120.40 131.19 1ln3 s VAL 98 Ca 0.36 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1ln3 s VAL 98 Cb -0.11 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1ln3 s VAL 98 CO 0.25 0.56 -0.10 -0.69 0.00 0.00 0.00 175.10 175.13 1ln3 s VAL 99 N -0.55 3.46 -0.09 2.92 1.01 0.18 -1.87 120.40 125.45 1ln3 s VAL 99 Ca 0.12 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1ln3 s VAL 99 Cb -0.12 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1ln3 s VAL 99 CO 0.02 0.58 -0.15 -0.47 0.00 0.00 0.00 175.10 175.09 1ln3 s TYR 100 N -0.62 2.73 -0.06 5.22 5.04 -0.60 -0.95 117.35 128.12 1ln3 s TYR 100 Ca 0.09 -0.46 -0.04 0.00 -2.44 0.00 0.00 57.07 54.22 1ln3 s TYR 100 Cb -0.11 -1.73 0.03 0.00 0.35 0.00 0.00 41.96 40.49 1ln3 s TYR 100 CO 0.02 -0.06 0.14 -0.46 -1.34 0.00 0.00 175.55 173.85 1ln3 s TRP 101 N -0.13 -0.16 -0.11 4.97 -0.11 0.36 -1.66 118.94 122.11 1ln3 s TRP 101 Ca -0.02 0.44 0.02 0.00 1.22 0.00 0.00 56.10 57.76 1ln3 s TRP 101 Cb -0.14 -0.02 -0.01 0.00 -1.50 0.00 0.00 33.47 31.80 1ln3 s TRP 101 CO 0.04 -0.13 -0.16 -2.00 -4.62 0.00 0.00 176.95 170.07 1ln3 s GLU 102 N 0.70 3.16 -0.18 5.86 2.12 0.11 0.25 118.70 130.72 1ln3 s GLU 102 Ca -0.05 -0.74 -0.05 0.00 0.36 0.00 0.00 54.97 54.48 1ln3 s GLU 102 Cb -0.07 -2.50 -0.03 0.00 0.26 0.00 0.00 34.13 31.79 1ln3 s GLU 102 CO -0.03 0.26 -0.00 0.08 -0.54 0.00 0.00 175.26 175.03 1ln3 s VAL 103 N 0.20 4.12 -0.17 3.70 1.01 0.20 -2.27 120.40 127.20 1ln3 s VAL 103 Ca -0.10 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 1ln3 s VAL 103 Cb -0.16 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1ln3 s VAL 103 CO 0.06 0.46 1.50 -0.54 0.00 0.00 0.00 175.10 176.58 1ln3 s LYS 104 N 0.60 4.03 -0.07 2.72 1.02 -0.45 -2.23 119.74 125.37 1ln3 s LYS 104 Ca -0.01 1.77 0.01 0.00 0.02 0.00 0.00 55.97 57.77 1ln3 s LYS 104 Cb -0.14 -3.93 -0.03 0.00 -0.52 0.00 0.00 37.83 33.21 1ln3 s LYS 104 CO 0.02 -0.99 -0.09 0.71 -0.92 0.00 0.00 175.35 174.08 1ln3 s TYR 105 N 4.33 2.89 0.25 3.18 1.51 -1.26 -4.98 117.35 123.27 1ln3 s TYR 105 Ca 0.66 -0.06 -0.31 0.00 -1.01 0.00 0.00 57.07 56.35 1ln3 s TYR 105 Cb -0.26 -1.71 -0.13 0.00 -0.11 0.00 0.00 41.96 39.76 1ln3 s TYR 105 CO 0.25 0.26 1.54 -2.30 -1.11 0.00 0.00 175.55 174.19 1ln3 n PRO 106 N 2.36 2.41 -2.39 -1.71 -0.02 -1.26 -4.67 135.00 129.72 1ln3 n PRO 106 Ca -0.18 0.86 -0.39 0.00 -2.02 0.00 0.00 63.50 61.78 1ln3 n PRO 106 Cb 0.53 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1ln3 n PRO 106 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1ln3 s PHE 107 N 0.22 3.27 -0.84 6.00 2.19 -1.26 -4.71 117.98 122.86 1ln3 s PHE 107 Ca 0.68 1.61 -0.25 0.00 0.33 0.00 0.00 56.93 59.30 1ln3 s PHE 107 Cb -0.57 -3.33 -0.19 0.00 -1.31 0.00 0.00 43.02 37.62 1ln3 s PHE 107 CO 0.46 -0.97 1.91 -2.30 1.83 0.00 0.00 175.22 176.15 1ln3 n PRO 108 N 0.47 0.95 -4.72 10.12 -0.02 -1.26 -5.24 135.00 135.30 1ln3 n PRO 108 Ca 0.02 -1.88 -0.31 0.00 -2.02 0.00 0.00 63.50 59.32 1ln3 n PRO 108 Cb 0.46 -3.35 -0.13 0.00 -0.02 0.00 0.00 33.50 30.46 1ln3 n PRO 108 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1ln3 s SER 110 N 6.67 3.62 1.20 2.55 0.01 -1.26 -5.15 113.70 121.34 1ln3 s SER 110 Ca 0.69 -0.48 -0.11 0.00 1.31 0.00 0.00 55.95 57.37 1ln3 s SER 110 Cb 0.05 -0.52 0.16 0.00 0.21 0.00 0.00 66.02 65.93 1ln3 s SER 110 CO 0.18 0.26 0.39 0.59 0.41 0.00 0.00 173.24 175.07 1ln3 n ASN 111 N 1.60 -2.79 -4.01 2.44 3.02 -1.26 -4.64 115.26 109.62 1ln3 n ASN 111 Ca -0.16 -0.43 -0.17 0.00 -0.03 0.00 0.00 54.58 53.78 1ln3 n ASN 111 Cb 0.52 -0.44 -0.14 0.00 -0.61 0.00 0.00 39.78 39.11 1ln3 n ASN 111 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ln3 s ARG 112 N -3.93 0.59 0.05 3.52 3.00 -0.95 -2.41 118.95 118.82 1ln3 s ARG 112 Ca 0.30 -0.35 0.05 0.00 0.00 0.00 0.00 55.73 55.73 1ln3 s ARG 112 Cb -0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 34.95 34.33 1ln3 s ARG 112 CO 0.25 0.15 -0.15 0.16 0.00 0.00 0.00 175.30 175.70 1ln3 s ASP 113 N -0.41 1.82 0.05 0.23 3.84 -0.08 0.62 116.67 122.74 1ln3 s ASP 113 Ca 0.01 -0.51 0.08 0.00 -0.00 0.00 0.00 52.55 52.13 1ln3 s ASP 113 Cb -0.04 -0.11 -0.03 0.00 -1.38 0.00 0.00 42.92 41.36 1ln3 s ASP 113 CO -0.00 0.03 -0.22 -0.31 -0.00 0.00 0.00 175.17 174.67 1ln3 s TYR 114 N -0.94 1.95 -0.12 2.11 1.51 0.14 -1.45 117.35 120.54 1ln3 s TYR 114 Ca 0.02 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1ln3 s TYR 114 Cb -0.08 -1.15 0.02 0.00 -0.11 0.00 0.00 41.96 40.63 1ln3 s TYR 114 CO 0.02 0.12 -0.14 0.08 -1.11 0.00 0.00 175.55 174.52 1ln3 s VAL 115 N -0.83 1.45 0.16 0.71 1.01 -1.25 -0.49 120.40 121.16 1ln3 s VAL 115 Ca 0.09 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 1ln3 s VAL 115 Cb -0.09 -1.36 0.06 0.00 0.00 0.00 0.00 36.38 34.99 1ln3 s VAL 115 CO 0.02 0.44 0.57 -0.72 0.00 0.00 0.00 175.10 175.41 1ln3 s TYR 116 N 1.27 -0.47 -0.26 5.22 -0.85 -0.12 -2.26 117.35 119.88 1ln3 s TYR 116 Ca -0.01 0.24 -0.16 0.00 -0.52 0.00 0.00 57.07 56.62 1ln3 s TYR 116 Cb -0.14 0.51 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 1ln3 s TYR 116 CO -0.06 -0.84 0.42 -0.51 -1.52 0.00 0.00 175.55 173.05 1ln3 s LEU 117 N -2.76 4.05 -0.06 -3.49 1.43 0.30 0.47 118.68 118.62 1ln3 s LEU 117 Ca 0.02 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1ln3 s LEU 117 Cb -0.01 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1ln3 s LEU 117 CO -0.12 -0.22 -0.14 -0.60 0.23 0.00 0.00 176.35 175.51 1ln3 s ARG 118 N 2.12 2.58 -0.20 1.70 3.52 -1.18 -0.58 118.95 126.92 1ln3 s ARG 118 Ca 0.17 -0.68 -0.11 0.00 -0.13 0.00 0.00 55.73 54.98 1ln3 s ARG 118 Cb -0.16 -2.41 0.07 0.00 -1.56 0.00 0.00 34.95 30.89 1ln3 s ARG 118 CO 0.10 0.60 0.48 -1.14 -0.81 0.00 0.00 175.30 174.52 1ln3 s GLN 119 N -0.66 0.46 0.13 5.12 0.74 0.07 -4.64 119.66 120.89 1ln3 s GLN 119 Ca 0.10 0.91 0.08 0.00 0.05 0.00 0.00 55.36 56.49 1ln3 s GLN 119 Cb -0.11 0.04 -0.04 0.00 1.10 0.00 0.00 33.01 34.00 1ln3 s GLN 119 CO 0.01 -0.16 -0.08 0.50 -0.55 0.00 0.00 175.29 175.00 1ln3 s ARG 120 N 1.53 2.16 -0.15 1.67 3.52 -1.26 0.64 118.95 127.05 1ln3 s ARG 120 Ca -0.09 -1.10 -0.07 0.00 -0.13 0.00 0.00 55.73 54.34 1ln3 s ARG 120 Cb -0.08 -2.28 0.06 0.00 -1.56 0.00 0.00 34.95 31.09 1ln3 s ARG 120 CO -0.14 0.48 0.35 1.03 -0.81 0.00 0.00 175.30 176.21 1ln3 s ARG 121 N -2.48 0.31 -0.27 5.12 0.52 0.62 -4.98 118.95 117.79 1ln3 s ARG 121 Ca 0.23 0.74 -0.18 0.00 -0.52 0.00 0.00 55.73 56.00 1ln3 s ARG 121 Cb -0.10 -0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.33 1ln3 s ARG 121 CO 0.15 -0.18 0.54 -0.51 0.02 0.00 0.00 175.30 175.31 1ln3 s ASP 122 N 1.59 6.45 0.14 0.23 1.01 -1.26 -2.09 116.67 122.73 1ln3 s ASP 122 Ca -0.08 0.50 -0.08 0.00 0.71 0.00 0.00 52.55 53.60 1ln3 s ASP 122 Cb -0.10 -2.29 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 1ln3 s ASP 122 CO -0.11 -0.33 0.43 -0.76 0.21 0.00 0.00 175.17 174.61 1ln3 s LEU 123 N 2.36 4.28 0.31 1.23 1.43 -1.15 -4.91 118.68 122.24 1ln3 s LEU 123 Ca 0.22 0.75 0.06 0.00 -1.03 0.00 0.00 54.13 54.13 1ln3 s LEU 123 Cb -0.16 -3.26 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 1ln3 s LEU 123 CO 0.10 0.07 0.44 -1.81 0.23 0.00 0.00 176.35 175.38 1ln3 s ASP 124 N -2.14 6.02 0.00 2.29 1.01 -1.25 -1.94 116.67 120.67 1ln3 s ASP 124 Ca 0.39 -0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.51 1ln3 s ASP 124 Cb -0.13 -1.35 0.00 0.00 1.01 0.00 0.00 42.92 42.45 1ln3 s ASP 124 CO 0.21 -0.35 0.00 -0.62 0.21 0.00 0.00 175.17 174.62 1ln3 n GLU 126 N -1.58 0.00 -3.05 8.23 4.71 -1.26 -2.62 120.64 125.07 1ln3 n GLU 126 Ca -0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.16 56.92 1ln3 n GLU 126 Cb 0.58 0.00 0.04 0.00 -1.01 0.00 0.00 31.44 31.05 1ln3 n GLU 126 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ln3 n GLY 127 N 0.00 -0.40 3.04 0.62 0.00 -1.26 -4.99 105.19 102.20 1ln3 n GLY 127 Ca 0.00 0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1ln3 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ln3 s ARG 128 N -5.70 2.12 -0.32 1.61 0.52 -1.08 -5.10 118.95 111.01 1ln3 s ARG 128 Ca 0.32 -0.53 -0.28 0.00 -0.52 0.00 0.00 55.73 54.72 1ln3 s ARG 128 Cb -0.14 -1.83 0.02 0.00 0.52 0.00 0.00 34.95 33.52 1ln3 s ARG 128 CO 0.40 -0.07 1.05 0.15 0.02 0.00 0.00 175.30 176.84 1ln3 s LYS 129 N 1.02 4.05 -0.46 3.54 -0.14 -1.23 -3.75 119.74 122.77 1ln3 s LYS 129 Ca -0.06 1.02 0.03 0.00 -1.36 0.00 0.00 55.97 55.60 1ln3 s LYS 129 Cb -0.15 -3.74 0.13 0.00 -1.68 0.00 0.00 37.83 32.39 1ln3 s LYS 129 CO -0.02 -0.88 0.22 0.42 -0.76 0.00 0.00 175.35 174.33 1ln3 s ILE 130 N 3.59 2.05 -0.21 2.17 1.01 -0.82 -4.42 121.20 124.56 1ln3 s ILE 130 Ca 0.44 -2.84 -0.29 0.00 0.00 0.00 0.00 60.65 57.97 1ln3 s ILE 130 Cb -0.12 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1ln3 s ILE 130 CO 0.15 -0.80 1.90 -1.00 0.00 0.00 0.00 174.94 175.19 1ln3 s HIS 131 N 0.17 1.61 -0.09 3.97 3.76 -0.73 -2.93 115.29 121.05 1ln3 s HIS 131 Ca 0.16 0.43 0.04 0.00 -0.15 0.00 0.00 55.06 55.54 1ln3 s HIS 131 Cb -0.24 -4.04 -0.00 0.00 1.11 0.00 0.00 32.58 29.41 1ln3 s HIS 131 CO -0.02 -3.66 -0.24 0.08 -0.85 0.00 0.00 174.74 170.04 1ln3 s VAL 132 N 6.54 2.05 0.03 -0.90 1.01 -0.89 0.09 120.40 128.33 1ln3 s VAL 132 Ca 0.85 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.87 1ln3 s VAL 132 Cb -0.29 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1ln3 s VAL 132 CO 0.34 0.56 -0.18 -0.63 0.00 0.00 0.00 175.10 175.19 1ln3 s ILE 133 N 0.26 1.45 0.11 2.22 1.09 -0.72 -0.28 121.20 125.34 1ln3 s ILE 133 Ca -0.17 -1.04 0.10 0.00 -1.10 0.00 0.00 60.65 58.45 1ln3 s ILE 133 Cb -0.17 -1.26 -0.04 0.00 -1.06 0.00 0.00 42.46 39.93 1ln3 s ILE 133 CO 0.08 0.20 -0.25 -0.76 -0.10 0.00 0.00 174.94 174.11 1ln3 s LEU 134 N -0.98 2.28 -0.04 2.97 1.43 0.21 -1.61 118.68 122.93 1ln3 s LEU 134 Ca 0.06 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1ln3 s LEU 134 Cb -0.08 -1.14 0.03 0.00 0.03 0.00 0.00 46.19 45.03 1ln3 s LEU 134 CO 0.01 0.16 -0.01 0.00 0.23 0.00 0.00 176.35 176.74 1ln3 s ALA 135 N -1.03 0.50 -0.00 4.21 0.00 0.23 -0.75 121.76 124.93 1ln3 s ALA 135 Ca 0.12 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1ln3 s ALA 135 Cb -0.10 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 1ln3 s ALA 135 CO 0.05 -0.17 -0.04 0.50 0.00 0.00 0.00 175.76 176.10 1ln3 s ARG 136 N 1.27 0.35 0.29 0.00 3.52 0.26 -2.11 118.95 122.53 1ln3 s ARG 136 Ca -0.06 -0.17 -0.28 0.00 -0.13 0.00 0.00 55.73 55.09 1ln3 s ARG 136 Cb -0.13 -0.33 -0.09 0.00 -1.56 0.00 0.00 34.95 32.83 1ln3 s ARG 136 CO -0.02 0.09 0.99 0.45 -0.81 0.00 0.00 175.30 176.00 1ln3 s SER 137 N -0.14 7.39 0.16 -2.12 0.15 -0.71 0.11 113.70 118.53 1ln3 s SER 137 Ca 0.01 2.00 0.01 0.00 0.70 0.00 0.00 55.95 58.67 1ln3 s SER 137 Cb -0.02 -2.60 -0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1ln3 s SER 137 CO -0.00 -0.04 0.19 1.07 1.20 0.00 0.00 173.24 175.66 1ln3 n THR 138 N 1.01 0.00 -3.26 6.45 5.66 -0.96 -4.80 114.28 118.38 1ln3 n THR 138 Ca -0.00 -0.99 0.00 0.00 -3.05 0.00 0.00 64.05 60.01 1ln3 n THR 138 Cb 0.48 0.55 0.00 0.00 -1.55 0.00 0.00 70.33 69.80 1ln3 n THR 138 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ln3 n SER 139 N -2.13 0.00 -0.12 1.09 3.41 -1.26 -4.63 113.62 109.98 1ln3 n SER 139 Ca 0.02 -0.30 -0.25 0.00 -0.26 0.00 0.00 58.87 58.08 1ln3 n SER 139 Cb 0.28 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.14 1ln3 n SER 139 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1ln3 n PRO 141 N 0.00 0.57 0.11 4.33 -0.02 -1.26 -5.04 135.00 133.69 1ln3 n PRO 141 Ca 0.00 0.36 0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1ln3 n PRO 141 Cb 0.00 -1.57 0.46 0.00 -0.02 0.00 0.00 33.50 32.37 1ln3 n PRO 141 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ln3 n GLN 142 N -4.33 0.19 -3.22 -0.52 3.00 -1.26 -3.84 117.38 107.40 1ln3 n GLN 142 Ca -0.44 0.34 -0.27 0.00 -0.01 0.00 0.00 57.00 56.62 1ln3 n GLN 142 Cb 0.78 -1.81 -0.06 0.00 0.00 0.00 0.00 30.24 29.15 1ln3 n GLN 142 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1ln3 n LEU 143 N -2.16 4.15 0.00 1.08 0.00 -1.26 -5.07 117.00 113.74 1ln3 n LEU 143 Ca 0.03 -5.54 -0.24 0.00 0.00 0.00 0.00 56.01 50.26 1ln3 n LEU 143 Cb 0.28 -0.65 0.20 0.00 0.00 0.00 0.00 43.42 43.25 1ln3 n LEU 143 CO 0.22 2.17 0.55 0.61 0.00 0.00 0.00 177.39 180.94 1ln3 n GLY 144 N 0.42 -2.42 3.66 -3.96 0.00 -1.25 -5.02 105.19 96.63 1ln3 n GLY 144 Ca 0.31 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 1ln3 n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ln3 s GLU 145 N -5.11 0.84 0.17 1.61 2.02 -1.26 -5.06 118.70 111.91 1ln3 s GLU 145 Ca 0.59 1.05 0.10 0.00 0.02 0.00 0.00 54.97 56.72 1ln3 s GLU 145 Cb -0.05 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 1ln3 s GLU 145 CO 0.44 -2.59 -0.15 1.03 0.02 0.00 0.00 175.26 174.00 1ln3 s ARG 146 N -4.76 1.84 -0.04 1.61 0.52 -1.26 -5.11 118.95 111.75 1ln3 s ARG 146 Ca 0.65 -1.33 -0.20 0.00 -0.52 0.00 0.00 55.73 54.33 1ln3 s ARG 146 Cb -0.21 -2.06 -0.05 0.00 0.52 0.00 0.00 34.95 33.16 1ln3 s ARG 146 CO 0.59 0.43 0.58 -1.12 0.02 0.00 0.00 175.30 175.80 1ln3 s SER 147 N -2.64 6.90 0.00 0.23 0.01 -1.26 -3.80 113.70 113.13 1ln3 s SER 147 Ca 0.22 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.56 1ln3 s SER 147 Cb -0.09 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1ln3 s SER 147 CO 0.13 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1ln3 n GLY 148 N 2.77 3.08 3.70 3.44 0.00 -1.26 -5.01 105.19 111.91 1ln3 n GLY 148 Ca -0.06 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 1ln3 n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ln3 s VAL 149 N -1.47 5.11 -0.40 1.61 1.01 -1.25 -4.19 120.40 120.82 1ln3 s VAL 149 Ca 0.00 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 1ln3 s VAL 149 Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1ln3 s VAL 149 CO 0.00 0.47 0.90 -0.63 0.00 0.00 0.00 175.10 175.84 1ln3 s ILE 150 N 0.20 4.57 -0.42 2.22 1.01 -1.01 -4.31 121.20 123.45 1ln3 s ILE 150 Ca 0.07 0.98 -0.29 0.00 0.00 0.00 0.00 60.65 61.41 1ln3 s ILE 150 Cb -0.12 -4.35 0.01 0.00 0.01 0.00 0.00 42.46 38.02 1ln3 s ILE 150 CO -0.00 -0.63 1.35 -0.60 0.00 0.00 0.00 174.94 175.06 1ln3 s ARG 151 N 3.52 3.61 -0.31 2.79 6.06 -1.26 -0.90 118.95 132.46 1ln3 s ARG 151 Ca 0.37 0.87 -0.29 0.00 -2.50 0.00 0.00 55.73 54.18 1ln3 s ARG 151 Cb -0.11 -4.00 0.00 0.00 0.06 0.00 0.00 34.95 30.90 1ln3 s ARG 151 CO 0.21 -1.52 1.33 0.08 -2.50 0.00 0.00 175.30 172.90 1ln3 s VAL 152 N 5.20 4.09 -0.74 7.11 1.01 -0.53 -4.89 120.40 131.65 1ln3 s VAL 152 Ca 0.58 1.22 0.22 0.00 0.00 0.00 0.00 61.98 64.01 1ln3 s VAL 152 Cb -0.12 -4.14 -0.17 0.00 0.00 0.00 0.00 36.38 31.95 1ln3 s VAL 152 CO 0.32 -0.49 0.96 0.29 0.00 0.00 0.00 175.10 176.18 1ln3 n LYS 153 N 7.40 0.18 -4.06 2.72 5.02 -1.26 -4.60 118.16 123.57 1ln3 n LYS 153 Ca 0.15 -0.03 -0.33 0.00 -2.02 0.00 0.00 58.31 56.09 1ln3 n LYS 153 Cb 0.47 -1.54 -0.15 0.00 -0.02 0.00 0.00 35.03 33.79 1ln3 n LYS 153 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1ln3 s GLN 154 N -3.13 2.59 -0.28 1.97 1.11 -1.26 -4.81 119.66 115.85 1ln3 s GLN 154 Ca 0.05 -1.12 -0.24 0.00 0.01 0.00 0.00 55.36 54.06 1ln3 s GLN 154 Cb 0.15 -2.81 0.10 0.00 -1.01 0.00 0.00 33.01 29.44 1ln3 s GLN 154 CO 0.83 -0.43 0.91 -0.47 0.01 0.00 0.00 175.29 176.14 1ln3 s TYR 155 N 1.20 -0.61 -0.28 0.91 5.04 -1.26 -1.07 117.35 121.28 1ln3 s TYR 155 Ca -0.03 1.46 -0.20 0.00 -2.44 0.00 0.00 57.07 55.86 1ln3 s TYR 155 Cb -0.17 0.34 0.10 0.00 0.35 0.00 0.00 41.96 42.58 1ln3 s TYR 155 CO -0.07 -0.29 0.81 -1.59 -1.34 0.00 0.00 175.55 173.07 1ln3 s LYS 156 N 0.39 0.65 0.08 4.97 -2.85 0.81 -1.74 119.74 122.05 1ln3 s LYS 156 Ca 0.01 0.95 -0.08 0.00 -1.00 0.00 0.00 55.97 55.85 1ln3 s LYS 156 Cb -0.05 0.22 -0.00 0.00 -2.06 0.00 0.00 37.83 35.94 1ln3 s LYS 156 CO -0.05 -0.11 0.18 -1.14 0.10 0.00 0.00 175.35 174.33 1ln3 s GLN 157 N 1.00 0.81 -0.13 1.78 0.74 -0.90 -2.04 119.66 120.92 1ln3 s GLN 157 Ca -0.05 -0.95 -0.12 0.00 0.05 0.00 0.00 55.36 54.29 1ln3 s GLN 157 Cb -0.05 0.33 0.03 0.00 1.10 0.00 0.00 33.01 34.43 1ln3 s GLN 157 CO -0.11 -0.25 0.35 -1.54 -0.55 0.00 0.00 175.29 173.19 1ln3 s SER 158 N -2.80 -0.36 -0.04 6.67 1.04 -0.58 -0.60 113.70 117.03 1ln3 s SER 158 Ca 0.04 0.69 0.03 0.00 0.48 0.00 0.00 55.95 57.20 1ln3 s SER 158 Cb 0.05 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1ln3 s SER 158 CO -0.10 -0.14 -0.13 -0.22 0.98 0.00 0.00 173.24 173.63 1ln3 s LEU 159 N 0.13 1.84 -0.15 2.42 0.20 -0.64 -0.84 118.68 121.63 1ln3 s LEU 159 Ca -0.01 -0.28 0.02 0.00 0.69 0.00 0.00 54.13 54.55 1ln3 s LEU 159 Cb -0.03 -0.79 0.02 0.00 -0.43 0.00 0.00 46.19 44.96 1ln3 s LEU 159 CO 0.01 0.11 -0.20 0.00 -0.29 0.00 0.00 176.35 175.97 1ln3 s ALA 160 N 0.16 2.19 0.18 5.97 0.00 0.27 -1.75 121.76 128.79 1ln3 s ALA 160 Ca -0.05 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 50.89 1ln3 s ALA 160 Cb -0.11 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1ln3 s ALA 160 CO 0.02 -0.20 0.01 0.42 0.00 0.00 0.00 175.76 176.01 1ln3 s ILE 161 N 1.09 3.75 -0.14 0.00 1.01 0.11 -0.97 121.20 126.06 1ln3 s ILE 161 Ca -0.01 -1.43 -0.31 0.00 0.00 0.00 0.00 60.65 58.90 1ln3 s ILE 161 Cb -0.14 -2.89 0.13 0.00 0.01 0.00 0.00 42.46 39.56 1ln3 s ILE 161 CO -0.07 -0.13 1.07 -0.70 0.00 0.00 0.00 174.94 175.11 1ln3 s GLU 162 N -3.00 0.52 0.65 2.79 2.12 -0.57 -1.78 118.70 119.44 1ln3 s GLU 162 Ca 0.28 -0.08 -0.14 0.00 0.36 0.00 0.00 54.97 55.40 1ln3 s GLU 162 Cb -0.09 0.24 -0.01 0.00 0.26 0.00 0.00 34.13 34.53 1ln3 s GLU 162 CO 0.19 -0.20 1.07 0.45 -0.54 0.00 0.00 175.26 176.22 1ln3 s SER 163 N -1.83 5.44 0.00 -1.70 0.15 -1.26 0.15 113.70 114.66 1ln3 s SER 163 Ca 0.05 1.78 0.15 0.00 0.70 0.00 0.00 55.95 58.62 1ln3 s SER 163 Cb -0.01 -2.52 0.41 0.00 -1.71 0.00 0.00 66.02 62.19 1ln3 s SER 163 CO -0.04 -1.40 1.33 -0.90 1.20 0.00 0.00 173.24 173.43 1ln3 n ASP 164 N -2.58 3.22 0.00 5.45 5.75 -1.21 -4.20 116.55 122.99 1ln3 n ASP 164 Ca 0.09 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1ln3 n ASP 164 Cb 0.53 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1ln3 n ASP 164 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ln3 n GLY 165 N 0.92 2.28 0.00 6.12 0.00 -1.26 -4.91 105.19 108.34 1ln3 n GLY 165 Ca 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1ln3 n GLY 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ln3 n LYS 166 N 0.00 0.00 -0.01 1.61 5.02 -1.26 -5.00 118.16 118.52 1ln3 n LYS 166 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1ln3 n LYS 166 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 1ln3 n LYS 166 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1ln3 h LYS 167 N 0.00 0.11 0.00 1.97 3.64 -1.96 -3.49 116.57 116.84 1ln3 h LYS 167 Ca 0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1ln3 h LYS 167 Cb 0.00 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1ln3 h LYS 167 CO 0.00 0.79 0.00 0.41 -2.27 0.00 0.00 179.45 178.38 1ln3 n GLY 168 N 1.72 1.63 3.36 5.01 0.00 -1.26 -3.69 105.19 111.97 1ln3 n GLY 168 Ca -0.22 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 1ln3 n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ln3 s SER 169 N -1.00 -0.51 0.02 1.61 1.04 -0.58 -3.29 113.70 111.00 1ln3 s SER 169 Ca 0.00 0.96 -0.19 0.00 0.48 0.00 0.00 55.95 57.20 1ln3 s SER 169 Cb 0.00 0.95 -0.06 0.00 0.10 0.00 0.00 66.02 67.01 1ln3 s SER 169 CO 0.00 -0.17 0.55 -0.75 0.98 0.00 0.00 173.24 173.85 1ln3 s LYS 170 N 0.47 4.22 0.03 4.02 2.20 0.12 -1.34 119.74 129.46 1ln3 s LYS 170 Ca -0.02 0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 56.25 1ln3 s LYS 170 Cb -0.04 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1ln3 s LYS 170 CO -0.02 0.51 0.02 0.14 -0.36 0.00 0.00 175.35 175.64 1ln3 s VAL 171 N -0.63 0.14 0.29 4.02 -7.23 -0.53 -1.51 120.40 114.95 1ln3 s VAL 171 Ca 0.29 -1.13 0.02 0.00 -1.81 0.00 0.00 61.98 59.35 1ln3 s VAL 171 Cb -0.18 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 1ln3 s VAL 171 CO 0.17 -0.62 0.13 0.12 -0.31 0.00 0.00 175.10 174.59 1ln3 s PHE 172 N -2.30 1.58 -0.28 2.82 5.36 -0.14 -2.54 117.98 122.48 1ln3 s PHE 172 Ca -0.08 -1.27 -0.18 0.00 -0.96 0.00 0.00 56.93 54.44 1ln3 s PHE 172 Cb -0.03 -0.90 0.10 0.00 -0.34 0.00 0.00 43.02 41.85 1ln3 s PHE 172 CO -0.04 -0.41 0.80 -0.47 -1.46 0.00 0.00 175.22 173.64 1ln3 s TYR 174 N -3.66 -0.84 0.03 10.12 5.04 -0.02 0.96 117.35 128.97 1ln3 s TYR 174 Ca 0.36 1.75 0.01 0.00 -2.44 0.00 0.00 57.07 56.75 1ln3 s TYR 174 Cb 0.06 0.49 -0.02 0.00 0.35 0.00 0.00 41.96 42.84 1ln3 s TYR 174 CO 0.15 -0.42 -0.05 -0.47 -1.34 0.00 0.00 175.55 173.43 1ln3 s TYR 175 N 1.27 0.43 -0.29 4.97 5.04 -0.76 -1.53 117.35 126.48 1ln3 s TYR 175 Ca -0.07 -0.53 -0.21 0.00 -2.44 0.00 0.00 57.07 53.82 1ln3 s TYR 175 Cb -0.05 -0.28 0.17 0.00 0.35 0.00 0.00 41.96 42.15 1ln3 s TYR 175 CO -0.15 -0.15 1.19 0.12 -1.34 0.00 0.00 175.55 175.22 1ln3 s PHE 176 N -1.47 -0.29 0.02 4.97 5.36 -0.87 -1.58 117.98 124.12 1ln3 s PHE 176 Ca -0.13 0.64 -0.27 0.00 -0.96 0.00 0.00 56.93 56.20 1ln3 s PHE 176 Cb -0.10 0.33 0.09 0.00 -0.34 0.00 0.00 43.02 43.00 1ln3 s PHE 176 CO -0.01 -0.14 0.78 0.16 -1.46 0.00 0.00 175.22 174.56 1ln3 s ASP 177 N 0.59 -0.47 -0.41 6.13 3.84 -1.26 -0.13 116.67 124.96 1ln3 s ASP 177 Ca -0.01 0.16 -0.07 0.00 -0.00 0.00 0.00 52.55 52.63 1ln3 s ASP 177 Cb -0.04 0.46 0.08 0.00 -1.38 0.00 0.00 42.92 42.05 1ln3 s ASP 177 CO -0.12 -0.69 0.23 0.21 -0.00 0.00 0.00 175.17 174.80 1ln3 s ASN 178 N -2.19 5.50 0.00 2.11 3.84 -0.23 -4.80 114.94 119.17 1ln3 s ASN 178 Ca 0.00 -1.61 0.02 0.00 0.21 0.00 0.00 52.86 51.48 1ln3 s ASN 178 Cb -0.01 -1.93 0.10 0.00 -0.55 0.00 0.00 41.25 38.86 1ln3 s ASN 178 CO -0.06 -0.52 0.59 -2.65 -2.79 0.00 0.00 177.10 171.67 1ln3 n PRO 179 N 4.83 0.05 -1.37 0.43 -0.02 -1.26 -4.53 135.00 133.13 1ln3 n PRO 179 Ca -0.09 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.27 1ln3 n PRO 179 Cb 0.42 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.35 1ln3 n PRO 179 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ln3 n GLY 180 N -0.89 1.24 3.63 -1.23 0.00 -1.26 -4.89 105.19 101.79 1ln3 n GLY 180 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1ln3 n GLY 180 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ln3 s GLY 181 N -2.52 -0.35 -0.06 -0.02 0.00 -1.26 -5.12 107.32 97.99 1ln3 s GLY 181 Ca 0.00 0.80 -0.29 0.00 0.00 0.00 0.00 44.72 45.23 1ln3 s GLY 181 CO 0.00 0.22 0.98 1.20 0.00 0.00 0.00 173.10 175.50 1ln3 s GLN 182 N -2.76 4.48 -0.40 2.90 -0.21 -1.26 -5.01 119.66 117.40 1ln3 s GLN 182 Ca 0.11 1.38 -0.21 0.00 0.02 0.00 0.00 55.36 56.66 1ln3 s GLN 182 Cb 0.01 -3.51 0.01 0.00 1.00 0.00 0.00 33.01 30.53 1ln3 s GLN 182 CO -0.03 -0.19 0.68 0.42 -2.12 0.00 0.00 175.29 174.05 1ln3 s ILE 183 N 1.55 4.81 0.35 1.08 -1.09 -1.26 -5.02 121.20 121.62 1ln3 s ILE 183 Ca 0.49 0.42 -0.29 0.00 -2.23 0.00 0.00 60.65 59.05 1ln3 s ILE 183 Cb -0.19 -4.18 -0.11 0.00 -1.58 0.00 0.00 42.46 36.40 1ln3 s ILE 183 CO 0.22 -0.50 1.48 -2.84 -1.23 0.00 0.00 174.94 172.07 1ln3 s PRO 184 N 2.90 4.15 0.63 2.79 0.02 -1.26 -4.88 135.00 139.34 1ln3 s PRO 184 Ca 0.26 2.52 0.35 0.00 0.02 0.00 0.00 61.00 64.15 1ln3 s PRO 184 Cb -0.14 -3.00 2.03 0.00 0.02 0.00 0.00 34.50 33.41 1ln3 s PRO 184 CO 0.18 -0.50 2.25 0.66 -0.33 0.00 0.00 177.00 179.26 1ln3 h SER 185 N 3.43 0.00 -0.21 2.53 4.64 -2.00 -0.22 113.55 121.73 1ln3 h SER 185 Ca -0.50 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.67 1ln3 h SER 185 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1ln3 h SER 185 CO 0.67 0.00 -0.41 4.11 -0.87 0.00 0.00 176.83 180.34 1ln3 h TRP 186 N 0.00 0.90 -0.71 4.77 5.08 -1.98 0.21 115.95 124.22 1ln3 h TRP 186 Ca 0.01 -0.27 0.01 0.00 1.08 0.00 0.00 58.89 59.73 1ln3 h TRP 186 Cb 0.13 -0.19 -0.04 0.00 -3.00 0.00 0.00 29.16 26.06 1ln3 h TRP 186 CO 0.00 1.03 0.47 1.25 -1.28 0.00 0.00 178.44 179.91 1ln3 h LEU 187 N 0.61 0.80 -0.26 0.11 5.85 -1.40 0.53 115.31 121.55 1ln3 h LEU 187 Ca 0.05 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1ln3 h LEU 187 Cb 0.96 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1ln3 h LEU 187 CO 0.09 0.58 0.12 0.40 -0.34 0.00 0.00 178.44 179.29 1ln3 h ILE 188 N 0.95 1.15 -0.91 4.05 2.04 -1.25 0.36 117.51 123.90 1ln3 h ILE 188 Ca 0.27 -0.44 0.11 0.00 1.00 0.00 0.00 64.86 65.80 1ln3 h ILE 188 Cb -0.09 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 1ln3 h ILE 188 CO -0.07 0.15 0.58 -1.13 0.00 0.00 0.00 178.15 177.69 1ln3 h ASN 189 N 0.29 0.80 -0.01 1.72 -0.73 0.49 0.96 115.58 119.10 1ln3 h ASN 189 Ca 0.09 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 1ln3 h ASN 189 Cb 0.13 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.58 1ln3 h ASN 189 CO -0.01 0.46 -0.06 -0.25 -0.37 0.00 0.00 177.43 177.19 1ln3 h TRP 190 N 0.87 0.07 -0.33 0.67 7.01 0.37 0.44 115.95 125.06 1ln3 h TRP 190 Ca 0.43 -0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.47 1ln3 h TRP 190 Cb 0.46 -0.01 -0.08 0.00 -2.10 0.00 0.00 29.16 27.43 1ln3 h TRP 190 CO -0.00 0.76 -0.24 0.00 -2.79 0.00 0.00 178.44 176.16 1ln3 h ALA 191 N 0.30 -0.07 0.73 2.65 0.00 0.67 1.50 119.26 125.04 1ln3 h ALA 191 Ca -0.01 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ln3 h ALA 191 Cb 0.77 0.54 0.01 0.00 0.00 0.00 0.00 17.79 19.10 1ln3 h ALA 191 CO 0.01 -0.65 -0.35 0.00 0.00 0.00 0.00 179.25 178.27 1ln3 h ALA 192 N 0.90 -1.04 0.00 0.00 0.00 0.89 0.32 119.26 120.34 1ln3 h ALA 192 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ln3 h ALA 192 Cb 0.47 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ln3 h ALA 192 CO -0.45 -0.97 0.00 0.87 0.00 0.00 0.00 179.25 178.70 1ln3 h LYS 193 N -1.19 0.00 0.00 0.00 1.79 -0.06 -3.42 116.57 113.69 1ln3 h LYS 193 Ca -0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1ln3 h LYS 193 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1ln3 h LYS 193 CO 0.16 0.00 0.00 -1.71 -1.08 0.00 0.00 179.45 176.82 1ln3 n ASN 194 N -2.92 -0.28 0.00 0.86 4.05 0.11 -4.91 115.26 112.17 1ln3 n ASN 194 Ca 0.02 0.22 0.00 0.00 0.45 0.00 0.00 54.58 55.27 1ln3 n ASN 194 Cb 0.36 0.38 0.00 0.00 1.23 0.00 0.00 39.78 41.75 1ln3 n ASN 194 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ln3 n GLY 195 N 1.13 -2.51 0.43 8.20 0.00 0.47 -2.25 105.19 110.66 1ln3 n GLY 195 Ca 0.00 0.51 -0.17 0.00 0.00 0.00 0.00 46.02 46.36 1ln3 n GLY 195 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ln3 h VAL 196 N 0.00 0.19 -0.81 1.61 2.07 -0.58 -2.10 116.25 116.63 1ln3 h VAL 196 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1ln3 h VAL 196 Cb 0.00 0.19 -0.14 0.00 -1.52 0.00 0.00 31.29 29.82 1ln3 h VAL 196 CO 0.00 0.00 -0.27 -2.65 0.02 0.00 0.00 177.57 174.67 1ln3 n PRO 197 N -5.52 -0.14 -0.16 1.57 -0.02 -1.17 0.11 135.00 129.67 1ln3 n PRO 197 Ca -0.12 1.26 -0.08 0.00 -2.02 0.00 0.00 63.50 62.53 1ln3 n PRO 197 Cb 0.41 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1ln3 n PRO 197 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1ln3 h ASN 198 N 0.00 0.62 0.33 2.55 -0.26 -1.26 -0.67 115.58 116.88 1ln3 h ASN 198 Ca 0.33 -0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1ln3 h ASN 198 Cb 0.53 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.60 1ln3 h ASN 198 CO -0.82 0.61 -0.51 0.15 -1.06 0.00 0.00 177.43 175.80 1ln3 h PHE 199 N 0.60 -1.45 -0.84 1.19 3.57 0.15 0.87 116.94 121.03 1ln3 h PHE 199 Ca 0.15 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.88 1ln3 h PHE 199 Cb 0.17 0.59 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 1ln3 h PHE 199 CO -0.00 -0.64 0.57 -0.07 -2.23 0.00 0.00 178.31 175.94 1ln3 h LEU 200 N -0.89 0.28 0.39 0.59 3.38 -0.57 -0.46 115.31 118.04 1ln3 h LEU 200 Ca -0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ln3 h LEU 200 Cb 0.82 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1ln3 h LEU 200 CO -0.17 0.12 -0.19 0.50 0.09 0.00 0.00 178.44 178.79 1ln3 h LYS 201 N 0.28 -0.51 -1.84 1.13 3.64 0.52 -2.19 116.57 117.60 1ln3 h LYS 201 Ca 0.42 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1ln3 h LYS 201 Cb 1.22 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1ln3 h LYS 201 CO -0.11 -0.19 0.00 -0.25 -2.27 0.00 0.00 179.45 176.62 1ln3 n ASP 202 N -5.16 0.00 0.00 4.20 8.00 0.28 -1.97 116.55 121.90 1ln3 n ASP 202 Ca -0.09 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1ln3 n ASP 202 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1ln3 n ASP 202 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ln3 n ALA 204 N 0.94 0.00 -0.32 2.24 0.00 -0.83 -1.44 120.51 121.10 1ln3 n ALA 204 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1ln3 n ALA 204 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 1ln3 n ALA 204 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ln3 h ARG 205 N 0.00 0.76 0.00 0.00 9.65 -1.67 0.21 114.38 123.32 1ln3 h ARG 205 Ca 0.00 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1ln3 h ARG 205 Cb 0.00 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.41 1ln3 h ARG 205 CO 0.00 0.50 -0.02 0.00 2.80 0.00 0.00 179.97 183.25 1ln3 h ALA 206 N 1.55 1.49 0.00 2.80 0.00 -1.50 -2.48 119.26 121.12 1ln3 h ALA 206 Ca 0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1ln3 h ALA 206 Cb 0.61 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ln3 h ALA 206 CO -0.32 0.03 -0.04 0.00 0.00 0.00 0.00 179.25 178.92 1ln3 h GLN 208 N -1.00 0.00 -0.56 0.00 4.15 -1.35 0.08 115.11 116.43 1ln3 h GLN 208 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1ln3 h GLN 208 Cb 0.27 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1ln3 h GLN 208 CO -0.00 0.00 0.03 0.09 -1.93 0.00 0.00 178.83 177.02 1ln3 n ASN 209 N -3.76 5.39 -0.01 -0.69 4.13 -0.94 -5.12 115.26 114.25 1ln3 n ASN 209 Ca 0.11 -2.99 0.16 0.00 1.68 0.00 0.00 54.58 53.54 1ln3 n ASN 209 Cb 0.79 -0.68 0.94 0.00 -1.54 0.00 0.00 39.78 39.29 1ln3 n ASN 209 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54