#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m79 s LEU 2 N 0.00 4.18 -1.21 -0.89 2.96 -1.26 -4.22 118.68 118.25 1m79 s LEU 2 Ca 0.00 0.21 -0.16 0.00 -0.22 0.00 0.00 54.13 53.97 1m79 s LEU 2 Cb 0.00 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.63 1m79 s LEU 2 CO 0.00 0.17 0.30 0.29 -1.32 0.00 0.00 176.35 175.78 1m79 n LYS 3 N 3.60 -0.62 -1.59 1.98 4.76 -1.26 -4.93 118.16 120.10 1m79 n LYS 3 Ca -0.16 0.03 -0.32 0.00 -2.87 0.00 0.00 58.31 54.99 1m79 n LYS 3 Cb 0.52 -2.56 0.06 0.00 -1.84 0.00 0.00 35.03 31.21 1m79 n LYS 3 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1m79 s PRO 4 N -7.02 2.64 0.27 1.97 0.04 -1.26 -4.99 135.00 126.65 1m79 s PRO 4 Ca 0.22 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 1m79 s PRO 4 Cb -0.12 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1m79 s PRO 4 CO 0.86 -1.37 1.06 -0.80 0.04 0.00 0.00 177.00 176.79 1m79 s ASN 5 N -2.90 7.35 0.03 6.66 0.01 -1.26 -4.86 114.94 119.97 1m79 s ASN 5 Ca 0.65 2.18 0.08 0.00 -0.71 0.00 0.00 52.86 55.05 1m79 s ASN 5 Cb -0.19 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 38.82 1m79 s ASN 5 CO 0.47 -0.07 -0.22 -0.69 -1.51 0.00 0.00 177.10 175.07 1m79 s VAL 6 N -1.18 1.78 0.04 1.60 1.01 -0.57 -4.41 120.40 118.67 1m79 s VAL 6 Ca 0.44 -1.18 0.08 0.00 0.00 0.00 0.00 61.98 61.31 1m79 s VAL 6 Cb -0.30 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1m79 s VAL 6 CO 0.38 0.30 -0.20 0.00 0.00 0.00 0.00 175.10 175.58 1m79 s ALA 7 N -0.74 2.50 -0.05 5.51 0.00 -0.45 -0.78 121.76 127.75 1m79 s ALA 7 Ca 0.09 -1.21 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 1m79 s ALA 7 Cb -0.09 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 1m79 s ALA 7 CO 0.01 0.56 0.28 0.42 0.00 0.00 0.00 175.76 177.03 1m79 s ILE 8 N -0.88 5.26 -0.08 0.00 1.01 -0.18 -0.65 121.20 125.68 1m79 s ILE 8 Ca 0.14 0.48 0.02 0.00 0.00 0.00 0.00 60.65 61.28 1m79 s ILE 8 Cb -0.10 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.82 1m79 s ILE 8 CO 0.04 0.56 -0.11 -0.51 0.00 0.00 0.00 174.94 174.92 1m79 s ILE 9 N -1.10 1.10 0.10 2.92 2.07 -0.45 -0.04 121.20 125.81 1m79 s ILE 9 Ca 0.21 -0.43 -0.20 0.00 -1.41 0.00 0.00 60.65 58.82 1m79 s ILE 9 Cb -0.14 -1.03 0.05 0.00 0.13 0.00 0.00 42.46 41.46 1m79 s ILE 9 CO 0.10 0.36 0.49 0.54 -1.91 0.00 0.00 174.94 174.52 1m79 s VAL 10 N 0.93 0.04 -0.11 4.00 0.11 -0.55 -4.55 120.40 120.28 1m79 s VAL 10 Ca -0.09 -0.32 0.04 0.00 -2.93 0.00 0.00 61.98 58.68 1m79 s VAL 10 Cb -0.15 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.65 1m79 s VAL 10 CO 0.00 -0.17 -0.23 0.00 -3.33 0.00 0.00 175.10 171.37 1m79 s ALA 11 N -3.21 2.20 0.02 1.54 0.00 -1.26 -0.80 121.76 120.24 1m79 s ALA 11 Ca -0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 1m79 s ALA 11 Cb 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1m79 s ALA 11 CO -0.08 0.26 0.02 0.00 0.00 0.00 0.00 175.76 175.96 1m79 s ALA 12 N 0.38 0.03 -0.21 0.00 0.00 -0.09 -4.71 121.76 117.16 1m79 s ALA 12 Ca -0.18 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 51.12 1m79 s ALA 12 Cb -0.18 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1m79 s ALA 12 CO 0.08 -0.20 0.33 -1.17 0.00 0.00 0.00 175.76 174.80 1m79 s LEU 13 N -1.59 4.15 0.46 0.00 2.96 -0.65 -1.05 118.68 122.95 1m79 s LEU 13 Ca -0.13 0.40 -0.18 0.00 -0.22 0.00 0.00 54.13 53.99 1m79 s LEU 13 Cb -0.08 -2.39 -0.09 0.00 0.50 0.00 0.00 46.19 44.13 1m79 s LEU 13 CO -0.01 -0.03 0.95 -0.54 -1.32 0.00 0.00 176.35 175.40 1m79 s LYS 14 N 1.21 4.07 0.00 1.98 1.02 0.26 -0.58 119.74 127.72 1m79 s LYS 14 Ca 0.16 1.00 0.24 0.00 0.02 0.00 0.00 55.97 57.39 1m79 s LYS 14 Cb -0.14 -2.18 0.29 0.00 -0.52 0.00 0.00 37.83 35.28 1m79 s LYS 14 CO 0.07 -0.13 1.26 -0.35 -0.92 0.00 0.00 175.35 175.28 1m79 n PRO 15 N -1.08 0.01 0.01 -1.68 -0.04 -1.26 -4.70 135.00 126.26 1m79 n PRO 15 Ca 0.06 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 1m79 n PRO 15 Cb 0.54 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.94 1m79 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1m79 n ALA 16 N -1.51 2.78 -3.12 0.55 0.00 -1.23 -4.94 120.51 113.03 1m79 n ALA 16 Ca 0.05 -0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 1m79 n ALA 16 Cb 0.34 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.52 1m79 n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1m79 n LEU 17 N -1.61 -3.29 -4.78 0.00 4.77 0.26 -4.58 117.00 107.78 1m79 n LEU 17 Ca 0.06 -0.42 -0.37 0.00 -0.03 0.00 0.00 56.01 55.25 1m79 n LEU 17 Cb 0.35 -2.36 -0.04 0.00 -2.33 0.00 0.00 43.42 39.04 1m79 n LEU 17 CO 0.31 0.35 0.73 -0.83 -1.33 0.00 0.00 177.39 176.61 1m79 s GLY 18 N -3.69 2.81 0.00 -0.72 0.00 -1.09 -1.08 107.32 103.55 1m79 s GLY 18 Ca 0.16 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.59 1m79 s GLY 18 CO 0.52 1.17 0.11 0.29 0.00 0.00 0.00 173.10 175.19 1m79 n ILE 19 N 0.28 0.00 -3.63 0.90 -5.35 -0.14 -1.64 119.36 109.77 1m79 n ILE 19 Ca 0.03 -0.19 -0.05 0.00 -0.27 0.00 0.00 62.75 62.28 1m79 n ILE 19 Cb 0.49 1.37 -0.02 0.00 -1.74 0.00 0.00 39.64 39.74 1m79 n ILE 19 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1m79 s GLY 20 N -0.16 -0.35 -0.22 3.28 0.00 -1.20 -4.61 107.32 104.06 1m79 s GLY 20 Ca 0.00 0.62 -0.06 0.00 0.00 0.00 0.00 44.72 45.27 1m79 s GLY 20 CO 0.00 0.18 0.44 -0.47 0.00 0.00 0.00 173.10 173.25 1m79 s TYR 21 N -3.09 -0.89 -1.52 1.90 6.14 -0.02 -0.46 117.35 119.41 1m79 s TYR 21 Ca 0.09 1.50 -0.09 0.00 0.64 0.00 0.00 57.07 59.22 1m79 s TYR 21 Cb -0.01 0.32 0.07 0.00 0.42 0.00 0.00 41.96 42.76 1m79 s TYR 21 CO -0.03 -0.56 0.69 1.63 0.64 0.00 0.00 175.55 177.93 1m79 n LYS 22 N 5.39 -3.96 -1.00 4.97 5.02 -1.26 -1.98 118.16 125.34 1m79 n LYS 22 Ca -0.08 0.46 -0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1m79 n LYS 22 Cb 0.50 -5.00 -0.00 0.00 -0.02 0.00 0.00 35.03 30.50 1m79 n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m79 n GLY 23 N -1.69 0.48 3.27 0.72 0.00 -1.26 -5.02 105.19 101.68 1m79 n GLY 23 Ca -0.11 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 1m79 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m79 s LYS 24 N -0.21 1.23 0.15 1.61 0.00 -0.84 -5.09 119.74 116.60 1m79 s LYS 24 Ca 0.00 -1.63 -0.30 0.00 0.00 0.00 0.00 55.97 54.05 1m79 s LYS 24 Cb 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 37.83 37.53 1m79 s LYS 24 CO 0.00 -0.21 0.94 -1.64 0.00 0.00 0.00 175.35 174.44 1m79 s MET 25 N -3.98 4.73 0.00 1.78 -1.94 -1.26 -0.84 119.30 117.79 1m79 s MET 25 Ca 0.30 1.43 0.07 0.00 -1.71 0.00 0.00 55.69 55.79 1m79 s MET 25 Cb 0.07 -3.34 0.43 0.00 2.01 0.00 0.00 34.83 33.99 1m79 s MET 25 CO 0.08 0.32 0.99 -2.30 -0.01 0.00 0.00 175.02 174.10 1m79 n PRO 26 N 2.38 0.66 -3.89 2.03 -0.02 -1.26 -4.82 135.00 130.07 1m79 n PRO 26 Ca 0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 1m79 n PRO 26 Cb 0.49 -1.17 -0.06 0.00 -0.02 0.00 0.00 33.50 32.74 1m79 n PRO 26 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1m79 s TRP 27 N -2.00 0.22 -0.31 6.00 -2.14 -1.26 -5.01 118.94 114.43 1m79 s TRP 27 Ca 0.11 -0.58 0.00 0.00 2.66 0.00 0.00 56.10 58.29 1m79 s TRP 27 Cb 0.05 0.11 0.10 0.00 -3.10 0.00 0.00 33.47 30.62 1m79 s TRP 27 CO 0.08 -0.80 0.09 0.50 -2.66 0.00 0.00 176.95 174.16 1m79 s ARG 28 N -3.94 0.85 -0.37 3.25 3.52 -1.26 -5.08 118.95 115.92 1m79 s ARG 28 Ca 0.15 -1.19 -0.06 0.00 -0.13 0.00 0.00 55.73 54.49 1m79 s ARG 28 Cb 0.02 -2.20 0.07 0.00 -1.56 0.00 0.00 34.95 31.27 1m79 s ARG 28 CO -0.01 -0.97 0.16 -0.51 -0.81 0.00 0.00 175.30 173.16 1m79 s LEU 29 N 1.50 4.69 0.17 -0.88 1.43 -1.26 -5.00 118.68 119.33 1m79 s LEU 29 Ca 0.10 -1.43 -0.09 0.00 -1.03 0.00 0.00 54.13 51.67 1m79 s LEU 29 Cb -0.18 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.21 1m79 s LEU 29 CO -0.22 -0.42 1.59 0.03 0.23 0.00 0.00 176.35 177.56 1m79 h ARG 30 N 8.22 1.03 -0.10 1.70 3.08 -2.00 -1.90 114.38 124.41 1m79 h ARG 30 Ca -0.21 -0.39 -0.14 0.00 0.07 0.00 0.00 59.98 59.31 1m79 h ARG 30 Cb 1.07 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1m79 h ARG 30 CO 0.66 1.08 -0.56 0.87 -1.07 0.00 0.00 179.97 180.95 1m79 h LYS 31 N 0.91 0.31 -0.47 0.04 1.57 -1.99 -2.58 116.57 114.36 1m79 h LYS 31 Ca 0.14 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1m79 h LYS 31 Cb 0.70 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1m79 h LYS 31 CO 0.05 0.79 -0.21 1.49 -0.57 0.00 0.00 179.45 181.00 1m79 h GLU 32 N 0.24 0.95 -0.94 3.15 4.22 -1.93 -1.80 114.58 118.47 1m79 h GLU 32 Ca 0.00 -0.39 0.00 0.00 0.08 0.00 0.00 59.36 59.05 1m79 h GLU 32 Cb 1.05 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 1m79 h GLU 32 CO 0.09 1.06 0.60 0.82 -2.18 0.00 0.00 179.01 179.39 1m79 h ILE 33 N 0.82 1.25 -0.73 2.32 2.04 -1.29 -0.79 117.51 121.12 1m79 h ILE 33 Ca 0.11 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1m79 h ILE 33 Cb 0.77 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1m79 h ILE 33 CO 0.06 0.25 0.29 -0.09 0.00 0.00 0.00 178.15 178.66 1m79 h ARG 34 N 1.28 1.10 0.02 2.37 2.43 -1.12 -1.38 114.38 119.08 1m79 h ARG 34 Ca 0.34 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1m79 h ARG 34 Cb -0.11 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.25 1m79 h ARG 34 CO -0.07 0.90 -0.07 -0.92 -1.51 0.00 0.00 179.97 178.30 1m79 h TYR 35 N 1.05 -0.18 -0.42 2.20 5.03 -0.90 -1.19 116.97 122.56 1m79 h TYR 35 Ca 0.24 0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.64 1m79 h TYR 35 Cb 0.22 0.08 -0.08 0.00 1.55 0.00 0.00 36.73 38.50 1m79 h TYR 35 CO 0.02 -0.11 -0.10 0.35 -1.32 0.00 0.00 178.16 177.00 1m79 h PHE 36 N -0.14 -0.21 -0.09 -3.82 3.04 -0.91 0.22 116.94 115.03 1m79 h PHE 36 Ca 0.02 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1m79 h PHE 36 Cb 0.16 0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1m79 h PHE 36 CO -0.13 -0.18 0.02 -0.22 -2.02 0.00 0.00 178.31 175.78 1m79 h LYS 37 N 0.01 0.06 -0.27 1.11 3.64 -1.02 -1.43 116.57 118.66 1m79 h LYS 37 Ca 0.20 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1m79 h LYS 37 Cb 0.31 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1m79 h LYS 37 CO -0.43 0.04 0.12 -0.44 -2.27 0.00 0.00 179.45 176.46 1m79 h ASP 38 N 0.06 0.37 -0.29 4.20 3.45 -0.78 -0.86 116.42 122.57 1m79 h ASP 38 Ca 0.04 -0.15 -0.03 0.00 0.43 0.00 0.00 57.03 57.31 1m79 h ASP 38 Cb 0.03 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 1m79 h ASP 38 CO -0.05 0.42 0.05 0.58 -1.57 0.00 0.00 179.24 178.67 1m79 h VAL 39 N 0.30 1.23 0.00 -1.35 2.07 -0.91 -0.57 116.25 117.02 1m79 h VAL 39 Ca 0.09 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1m79 h VAL 39 Cb 0.16 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1m79 h VAL 39 CO -0.01 0.26 -0.06 0.71 0.02 0.00 0.00 177.57 178.49 1m79 h THR 40 N 0.29 0.14 0.06 2.57 1.35 -1.24 -3.34 112.91 112.75 1m79 h THR 40 Ca 0.09 -0.79 -0.35 0.00 -0.55 0.00 0.00 66.41 64.81 1m79 h THR 40 Cb 0.33 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 68.41 1m79 h THR 40 CO 0.01 0.06 -1.95 0.35 -0.25 0.00 0.00 175.52 173.73 1m79 n THR 41 N -3.16 1.66 -1.98 6.82 -2.24 -0.33 -4.61 114.28 110.44 1m79 n THR 41 Ca 0.01 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 60.91 1m79 n THR 41 Cb 0.39 -1.77 -0.01 0.00 -2.10 0.00 0.00 70.33 66.84 1m79 n THR 41 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1m79 s ARG 42 N -2.50 4.25 0.19 -0.78 1.81 -0.24 -4.62 118.95 117.05 1m79 s ARG 42 Ca -0.27 2.37 0.04 0.00 -1.72 0.00 0.00 55.73 56.14 1m79 s ARG 42 Cb 0.08 -3.03 -0.05 0.00 -0.45 0.00 0.00 34.95 31.49 1m79 s ARG 42 CO 0.68 -0.35 -0.04 0.95 -0.68 0.00 0.00 175.30 175.85 1m79 s THR 43 N -1.01 1.05 -0.14 0.02 -4.23 -1.26 -4.90 115.64 105.17 1m79 s THR 43 Ca 0.52 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 59.06 1m79 s THR 43 Cb -0.43 -2.12 -0.14 0.00 1.34 0.00 0.00 72.50 71.15 1m79 s THR 43 CO 0.56 -0.51 -0.03 0.35 -0.54 0.00 0.00 174.62 174.45 1m79 n THR 44 N -0.31 0.91 -2.36 3.99 -2.24 -1.26 -5.01 114.28 108.00 1m79 n THR 44 Ca -0.07 -0.47 -0.32 0.00 -2.27 0.00 0.00 64.05 60.91 1m79 n THR 44 Cb 0.62 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 1m79 n THR 44 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1m79 s LYS 45 N -2.32 3.87 0.01 -0.78 3.01 -1.26 -5.05 119.74 117.24 1m79 s LYS 45 Ca -0.13 0.99 -0.08 0.00 -1.01 0.00 0.00 55.97 55.74 1m79 s LYS 45 Cb 0.05 -2.12 -0.04 0.00 -1.01 0.00 0.00 37.83 34.70 1m79 s LYS 45 CO 0.47 -0.33 1.12 -1.00 0.51 0.00 0.00 175.35 176.12 1m79 h PRO 46 N 0.87 -0.27 -1.04 -1.68 0.13 -2.03 -3.33 132.00 124.66 1m79 h PRO 46 Ca -0.47 0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 64.10 1m79 h PRO 46 Cb 1.19 0.06 -0.28 0.00 0.13 0.00 0.00 31.00 32.10 1m79 h PRO 46 CO 0.61 -0.18 0.74 0.09 -0.23 0.00 0.00 178.00 179.03 1m79 n ASN 47 N -2.85 6.06 -4.67 1.44 3.02 -1.26 -4.96 115.26 112.04 1m79 n ASN 47 Ca -0.03 -3.62 -0.27 0.00 -0.03 0.00 0.00 54.58 50.63 1m79 n ASN 47 Cb 0.11 -0.92 -0.09 0.00 -0.61 0.00 0.00 39.78 38.27 1m79 n ASN 47 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1m79 s THR 48 N -3.95 2.08 0.20 3.41 -4.23 -1.25 -4.90 115.64 107.00 1m79 s THR 48 Ca 0.58 -1.88 -0.07 0.00 -1.18 0.00 0.00 61.69 59.13 1m79 s THR 48 Cb 0.46 -2.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 1m79 s THR 48 CO 0.03 0.00 0.29 0.00 -0.54 0.00 0.00 174.62 174.41 1m79 s ARG 49 N -3.79 1.30 0.33 3.99 1.70 -1.07 -4.93 118.95 116.48 1m79 s ARG 49 Ca 0.36 -1.36 0.07 0.00 -0.47 0.00 0.00 55.73 54.33 1m79 s ARG 49 Cb 0.07 0.37 -0.01 0.00 -0.57 0.00 0.00 34.95 34.81 1m79 s ARG 49 CO 0.19 -0.48 0.43 -0.80 -1.08 0.00 0.00 175.30 173.56 1m79 s ASN 50 N -3.05 5.87 0.04 -2.89 0.01 -1.26 -0.34 114.94 113.31 1m79 s ASN 50 Ca 0.26 -0.23 0.07 0.00 -0.71 0.00 0.00 52.86 52.26 1m79 s ASN 50 Cb 0.03 -1.21 -0.03 0.00 0.41 0.00 0.00 41.25 40.45 1m79 s ASN 50 CO 0.07 -0.40 -0.19 0.00 -1.51 0.00 0.00 177.10 175.07 1m79 s ALA 51 N -2.19 2.54 -0.08 0.60 0.00 -0.29 -1.25 121.76 121.10 1m79 s ALA 51 Ca 0.44 -1.21 0.05 0.00 0.00 0.00 0.00 51.96 51.23 1m79 s ALA 51 Cb -0.09 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1m79 s ALA 51 CO 0.30 0.57 -0.23 0.14 0.00 0.00 0.00 175.76 176.54 1m79 s VAL 52 N -0.92 2.23 -0.09 0.00 -7.23 0.08 -1.38 120.40 113.10 1m79 s VAL 52 Ca 0.14 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1m79 s VAL 52 Cb -0.10 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 1m79 s VAL 52 CO 0.05 0.56 -0.08 0.27 -0.31 0.00 0.00 175.10 175.59 1m79 s ILE 53 N -0.01 3.60 0.08 -0.62 -5.25 0.13 -0.83 121.20 118.30 1m79 s ILE 53 Ca -0.08 -0.50 -0.04 0.00 -0.99 0.00 0.00 60.65 59.04 1m79 s ILE 53 Cb -0.15 -2.49 -0.03 0.00 2.95 0.00 0.00 42.46 42.75 1m79 s ILE 53 CO 0.05 0.57 0.06 0.00 -1.79 0.00 0.00 174.94 173.84 1m79 s MET 54 N -0.47 0.77 0.59 0.37 0.23 -0.32 -0.82 119.30 119.65 1m79 s MET 54 Ca 0.07 -1.19 -0.11 0.00 -1.03 0.00 0.00 55.69 53.43 1m79 s MET 54 Cb -0.12 0.26 -0.04 0.00 -1.53 0.00 0.00 34.83 33.40 1m79 s MET 54 CO 0.02 -0.20 0.98 0.20 -2.03 0.00 0.00 175.02 173.99 1m79 s GLY 55 N -2.93 1.67 0.26 3.16 0.00 -0.52 -1.09 107.32 107.87 1m79 s GLY 55 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 44.72 44.66 1m79 s GLY 55 CO -0.07 0.12 1.89 -0.09 0.00 0.00 0.00 173.10 174.95 1m79 h ARG 56 N -0.10 1.17 -0.71 2.90 2.43 -1.76 -2.22 114.38 116.09 1m79 h ARG 56 Ca -0.45 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 58.61 1m79 h ARG 56 Cb 1.19 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 1m79 h ARG 56 CO 0.62 0.78 0.29 0.87 -1.51 0.00 0.00 179.97 181.01 1m79 h LYS 57 N 1.21 1.06 -0.04 0.20 1.57 -1.93 -0.50 116.57 118.13 1m79 h LYS 57 Ca 0.42 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1m79 h LYS 57 Cb 0.11 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1m79 h LYS 57 CO -0.16 0.87 0.03 1.15 -0.57 0.00 0.00 179.45 180.78 1m79 h THR 58 N 1.02 1.02 -0.21 -0.16 2.02 -1.78 -2.34 112.91 112.47 1m79 h THR 58 Ca 0.24 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 67.42 1m79 h THR 58 Cb 0.21 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 1m79 h THR 58 CO -0.02 0.02 -0.08 -0.25 0.37 0.00 0.00 175.52 175.56 1m79 h TRP 59 N 0.05 -0.18 0.00 3.16 2.91 -1.13 -1.75 115.95 119.01 1m79 h TRP 59 Ca 0.02 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1m79 h TRP 59 Cb 0.00 0.11 0.00 0.00 -0.51 0.00 0.00 29.16 28.77 1m79 h TRP 59 CO -0.07 -0.13 0.00 0.93 -1.03 0.00 0.00 178.44 178.14 1m79 h GLU 60 N -0.04 0.00 0.00 2.65 5.08 -1.01 -1.94 114.58 119.32 1m79 h GLU 60 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1m79 h GLU 60 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1m79 h GLU 60 CO -0.24 0.00 -0.09 0.43 -1.00 0.00 0.00 179.01 178.10 1m79 n SER 61 N -3.06 0.15 -4.72 1.42 7.64 -0.67 -4.74 113.62 109.65 1m79 n SER 61 Ca -0.02 0.37 -0.39 0.00 1.01 0.00 0.00 58.87 59.84 1m79 n SER 61 Cb 0.12 -0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 62.89 1m79 n SER 61 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1m79 s ILE 62 N -3.01 5.08 0.25 0.44 1.01 -0.73 -5.01 121.20 119.23 1m79 s ILE 62 Ca 0.13 1.27 -0.30 0.00 0.00 0.00 0.00 60.65 61.74 1m79 s ILE 62 Cb 0.18 -3.96 -0.14 0.00 0.01 0.00 0.00 42.46 38.56 1m79 s ILE 62 CO 0.57 0.29 1.29 -2.65 0.00 0.00 0.00 174.94 174.44 1m79 n PRO 63 N 3.63 1.82 -0.24 2.79 -0.02 -1.26 -4.82 135.00 136.90 1m79 n PRO 63 Ca -0.04 0.64 0.24 0.00 -2.02 0.00 0.00 63.50 62.33 1m79 n PRO 63 Cb 0.51 -2.22 0.61 0.00 -0.02 0.00 0.00 33.50 32.38 1m79 n PRO 63 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1m79 h GLN 64 N 3.49 0.22 0.00 -0.52 3.07 -1.93 0.20 115.11 119.64 1m79 h GLN 64 Ca -0.44 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.25 1m79 h GLN 64 Cb 1.30 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.80 1m79 h GLN 64 CO 0.70 0.15 -0.18 0.87 0.09 0.00 0.00 178.83 180.46 1m79 h LYS 65 N 0.23 0.00 -0.67 0.06 6.56 -2.02 -3.07 116.57 117.65 1m79 h LYS 65 Ca 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.07 1m79 h LYS 65 Cb 1.50 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.16 1m79 h LYS 65 CO -0.12 0.18 0.00 1.19 -2.06 0.00 0.00 179.45 178.63 1m79 n PHE 66 N -3.40 1.37 -4.44 -1.35 3.72 0.69 -4.91 117.46 109.14 1m79 n PHE 66 Ca -0.00 -0.59 -0.23 0.00 -0.05 0.00 0.00 57.45 56.58 1m79 n PHE 66 Cb 0.37 -0.19 -0.13 0.00 -0.94 0.00 0.00 39.48 38.59 1m79 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1m79 s ARG 67 N -1.64 1.16 0.82 -1.08 1.70 -1.16 -4.23 118.95 114.51 1m79 s ARG 67 Ca 0.51 -0.95 -0.12 0.00 -0.47 0.00 0.00 55.73 54.70 1m79 s ARG 67 Cb 0.31 -1.27 0.08 0.00 -0.57 0.00 0.00 34.95 33.50 1m79 s ARG 67 CO 0.27 0.31 1.11 -1.25 -1.08 0.00 0.00 175.30 174.66 1m79 s PRO 68 N -1.39 1.89 0.12 3.89 0.04 -1.26 -4.98 135.00 133.30 1m79 s PRO 68 Ca 0.05 0.57 -0.31 0.00 0.04 0.00 0.00 61.00 61.35 1m79 s PRO 68 Cb -0.09 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1m79 s PRO 68 CO 0.02 -1.74 1.65 -0.51 0.04 0.00 0.00 177.00 176.46 1m79 s LEU 69 N -5.83 4.37 0.59 -3.56 1.43 -1.26 -4.92 118.68 109.50 1m79 s LEU 69 Ca 0.61 2.59 -0.18 0.00 -1.03 0.00 0.00 54.13 56.12 1m79 s LEU 69 Cb -0.14 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1m79 s LEU 69 CO 0.54 -0.89 1.17 -2.16 0.23 0.00 0.00 176.35 175.24 1m79 s PRO 70 N 2.04 3.03 -0.08 1.29 0.04 -1.26 -3.68 135.00 136.38 1m79 s PRO 70 Ca 0.74 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1m79 s PRO 70 Cb -0.43 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1m79 s PRO 70 CO 0.32 -1.12 0.00 -0.25 0.04 0.00 0.00 177.00 175.99 1m79 n ASP 71 N -1.66 -4.65 -4.04 6.66 8.00 -1.26 -4.98 116.55 114.63 1m79 n ASP 71 Ca 0.13 0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.54 1m79 n ASP 71 Cb 0.50 -2.22 -0.11 0.00 -0.02 0.00 0.00 41.12 39.28 1m79 n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1m79 s ARG 72 N -1.24 0.46 -0.08 -1.24 0.52 -1.24 -4.61 118.95 111.53 1m79 s ARG 72 Ca 0.00 -0.80 -0.30 0.00 -0.52 0.00 0.00 55.73 54.11 1m79 s ARG 72 Cb 0.00 -0.03 -0.02 0.00 0.52 0.00 0.00 34.95 35.42 1m79 s ARG 72 CO 0.00 -0.02 1.09 -1.17 0.02 0.00 0.00 175.30 175.21 1m79 s LEU 73 N -1.83 4.26 -0.20 2.53 2.96 -0.38 -4.81 118.68 121.21 1m79 s LEU 73 Ca -0.09 1.65 -0.14 0.00 -0.22 0.00 0.00 54.13 55.34 1m79 s LEU 73 Cb -0.06 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1m79 s LEU 73 CO -0.02 -0.50 0.32 0.20 -1.32 0.00 0.00 176.35 175.03 1m79 s ASN 74 N 1.24 6.37 -0.11 3.68 0.02 0.49 -0.74 114.94 125.89 1m79 s ASN 74 Ca 0.52 0.43 0.02 0.00 -1.02 0.00 0.00 52.86 52.81 1m79 s ASN 74 Cb -0.21 -2.19 -0.01 0.00 0.02 0.00 0.00 41.25 38.86 1m79 s ASN 74 CO 0.20 -0.00 -0.19 -0.63 0.02 0.00 0.00 177.10 176.50 1m79 s ILE 75 N 1.04 2.54 -0.12 0.60 1.01 -0.01 -0.86 121.20 125.40 1m79 s ILE 75 Ca 0.16 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.99 1m79 s ILE 75 Cb -0.14 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1m79 s ILE 75 CO 0.06 0.54 -0.22 -0.63 0.00 0.00 0.00 174.94 174.70 1m79 s ILE 76 N 0.32 2.18 -0.12 2.92 1.09 -0.29 -1.17 121.20 126.13 1m79 s ILE 76 Ca -0.15 -0.96 -0.06 0.00 -1.10 0.00 0.00 60.65 58.38 1m79 s ILE 76 Cb -0.17 -1.86 -0.04 0.00 -1.06 0.00 0.00 42.46 39.34 1m79 s ILE 76 CO 0.07 0.55 0.12 -0.76 -0.10 0.00 0.00 174.94 174.83 1m79 s LEU 77 N 0.51 4.30 -0.11 2.97 1.43 -0.25 -2.44 118.68 125.10 1m79 s LEU 77 Ca -0.14 0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.25 1m79 s LEU 77 Cb -0.17 -2.04 0.04 0.00 0.03 0.00 0.00 46.19 44.04 1m79 s LEU 77 CO 0.05 0.40 0.38 -0.55 0.23 0.00 0.00 176.35 176.86 1m79 s SER 78 N -1.00 -0.36 0.50 2.29 0.15 -0.76 -1.96 113.70 112.56 1m79 s SER 78 Ca 0.15 0.60 0.33 0.00 0.70 0.00 0.00 55.95 57.73 1m79 s SER 78 Cb -0.12 0.66 1.50 0.00 -1.71 0.00 0.00 66.02 66.35 1m79 s SER 78 CO 0.04 -0.23 1.98 0.03 1.20 0.00 0.00 173.24 176.26 1m79 h ARG 79 N 5.01 0.00 -0.00 5.44 3.08 -1.85 -2.37 114.38 123.68 1m79 h ARG 79 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1m79 h ARG 79 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1m79 h ARG 79 CO 0.30 0.00 -0.39 -1.13 -1.07 0.00 0.00 179.97 177.69 1m79 n SER 80 N -2.85 0.61 -4.82 7.04 3.41 -1.26 -4.94 113.62 110.81 1m79 n SER 80 Ca -0.00 -0.39 -0.36 0.00 -0.26 0.00 0.00 58.87 57.86 1m79 n SER 80 Cb 0.22 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 1m79 n SER 80 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1m79 s TYR 81 N -2.84 3.61 0.45 7.33 2.02 -0.89 -5.08 117.35 121.95 1m79 s TYR 81 Ca 0.16 1.35 -0.12 0.00 -0.37 0.00 0.00 57.07 58.09 1m79 s TYR 81 Cb 0.18 -2.60 -0.07 0.00 -0.40 0.00 0.00 41.96 39.08 1m79 s TYR 81 CO 0.63 0.31 0.84 -1.21 -1.57 0.00 0.00 175.55 174.55 1m79 s GLU 82 N -2.10 3.80 -0.53 -0.62 0.41 -1.26 -3.85 118.70 114.55 1m79 s GLU 82 Ca 0.44 0.60 -0.28 0.00 -0.41 0.00 0.00 54.97 55.32 1m79 s GLU 82 Cb -0.16 -2.30 0.02 0.00 -1.78 0.00 0.00 34.13 29.91 1m79 s GLU 82 CO 0.20 -0.14 1.31 -0.80 -0.49 0.00 0.00 175.26 175.35 1m79 s ASN 83 N -3.23 6.33 -0.04 -0.19 0.01 -1.26 -3.83 114.94 112.72 1m79 s ASN 83 Ca 0.53 0.33 -0.13 0.00 -0.71 0.00 0.00 52.86 52.89 1m79 s ASN 83 Cb -0.10 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.03 1m79 s ASN 83 CO 0.33 -1.53 0.30 -0.70 -1.51 0.00 0.00 177.10 173.99 1m79 s GLU 84 N 5.11 0.57 -0.27 -0.60 2.12 -0.29 -5.00 118.70 120.33 1m79 s GLU 84 Ca 0.50 -0.03 -0.16 0.00 0.36 0.00 0.00 54.97 55.64 1m79 s GLU 84 Cb -0.10 0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.52 1m79 s GLU 84 CO 0.27 -0.14 0.44 0.42 -0.54 0.00 0.00 175.26 175.71 1m79 s ILE 85 N -0.91 5.12 -0.11 -3.70 1.01 -1.26 -0.61 121.20 120.74 1m79 s ILE 85 Ca -0.10 0.71 -0.06 0.00 0.00 0.00 0.00 60.65 61.20 1m79 s ILE 85 Cb -0.05 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 1m79 s ILE 85 CO 0.03 0.12 0.17 0.40 0.00 0.00 0.00 174.94 175.66 1m79 h ILE 86 N 5.40 0.36 -1.96 2.92 1.08 -1.46 -3.49 117.51 120.35 1m79 h ILE 86 Ca -0.30 -1.26 0.00 0.00 -0.39 0.00 0.00 64.86 62.91 1m79 h ILE 86 Cb 1.15 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 1m79 h ILE 86 CO 0.68 0.12 0.00 -0.90 -0.69 0.00 0.00 178.15 177.36 1m79 n ASP 87 N -4.76 0.00 0.00 1.72 3.85 -1.10 -4.99 116.55 111.28 1m79 n ASP 87 Ca -0.02 -0.96 0.06 0.00 -0.71 0.00 0.00 54.79 53.15 1m79 n ASP 87 Cb 0.10 0.00 0.26 0.00 -1.35 0.00 0.00 41.12 40.13 1m79 n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1m79 n ASP 88 N -2.02 0.00 0.00 -1.12 4.64 -1.26 -2.81 116.55 113.98 1m79 n ASP 88 Ca 0.00 0.36 0.00 0.00 -1.38 0.00 0.00 54.79 53.77 1m79 n ASP 88 Cb 0.00 -0.42 0.00 0.00 -1.04 0.00 0.00 41.12 39.66 1m79 n ASP 88 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 1m79 n ASN 89 N -1.42 0.49 -3.93 1.67 3.02 -1.26 -4.91 115.26 108.91 1m79 n ASN 89 Ca 0.04 -0.74 -0.21 0.00 -0.03 0.00 0.00 54.58 53.63 1m79 n ASN 89 Cb 0.12 0.51 -0.16 0.00 -0.61 0.00 0.00 39.78 39.64 1m79 n ASN 89 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1m79 s ILE 90 N -0.51 0.70 -0.01 2.41 1.01 -1.12 -0.38 121.20 123.30 1m79 s ILE 90 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.48 1m79 s ILE 90 Cb 0.00 -0.69 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 1m79 s ILE 90 CO 0.00 0.26 -0.18 -0.63 0.00 0.00 0.00 174.94 174.38 1m79 s ILE 91 N 0.79 1.46 -0.06 2.92 1.01 -0.03 -1.04 121.20 126.24 1m79 s ILE 91 Ca -0.12 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1m79 s ILE 91 Cb -0.14 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1m79 s ILE 91 CO 0.01 0.39 -0.13 -1.00 0.00 0.00 0.00 174.94 174.22 1m79 s HIS 92 N -0.46 2.76 0.19 3.97 3.76 0.22 -1.14 115.29 124.59 1m79 s HIS 92 Ca 0.07 -0.16 -0.17 0.00 -0.15 0.00 0.00 55.06 54.65 1m79 s HIS 92 Cb -0.07 -1.66 0.03 0.00 1.11 0.00 0.00 32.58 31.98 1m79 s HIS 92 CO -0.01 0.19 0.51 0.00 -0.85 0.00 0.00 174.74 174.58 1m79 s ALA 93 N -0.66 -0.94 -1.69 -1.40 0.00 -1.02 -1.14 121.76 114.90 1m79 s ALA 93 Ca 0.10 -0.19 0.14 0.00 0.00 0.00 0.00 51.96 52.01 1m79 s ALA 93 Cb -0.11 0.84 0.10 0.00 0.00 0.00 0.00 23.12 23.94 1m79 s ALA 93 CO 0.01 -0.78 0.92 -1.13 0.00 0.00 0.00 175.76 174.78 1m79 n SER 94 N -0.33 2.08 -3.81 0.00 3.41 -1.25 -1.83 113.62 111.90 1m79 n SER 94 Ca -0.11 -1.54 -0.12 0.00 -0.26 0.00 0.00 58.87 56.85 1m79 n SER 94 Cb 0.63 0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.56 1m79 n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1m79 s SER 95 N -1.25 -0.07 0.13 4.04 1.04 -1.26 -4.70 113.70 111.64 1m79 s SER 95 Ca 0.16 -0.16 -0.19 0.00 0.48 0.00 0.00 55.95 56.25 1m79 s SER 95 Cb 0.12 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 1m79 s SER 95 CO 0.20 -0.49 1.79 -0.29 0.98 0.00 0.00 173.24 175.42 1m79 h ILE 96 N 3.72 1.07 -0.60 -1.02 2.10 -2.00 -1.87 117.51 118.90 1m79 h ILE 96 Ca -0.31 -0.12 -0.08 0.00 1.08 0.00 0.00 64.86 65.43 1m79 h ILE 96 Cb 1.19 0.69 -0.02 0.00 -1.09 0.00 0.00 36.82 37.58 1m79 h ILE 96 CO 0.44 0.06 0.05 -0.08 -1.08 0.00 0.00 178.15 177.54 1m79 h GLU 97 N 0.35 1.01 -0.53 2.19 4.81 -2.00 -2.31 114.58 118.09 1m79 h GLU 97 Ca 0.09 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1m79 h GLU 97 Cb -0.04 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 1m79 h GLU 97 CO -0.02 0.96 0.26 0.77 -0.73 0.00 0.00 179.01 180.25 1m79 h SER 98 N 0.94 0.37 -0.77 1.04 0.02 -1.95 -2.84 113.55 110.35 1m79 h SER 98 Ca 0.18 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1m79 h SER 98 Cb 0.47 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 1m79 h SER 98 CO 0.02 0.25 0.48 0.77 -1.14 0.00 0.00 176.83 177.20 1m79 h SER 99 N 0.50 0.76 0.82 3.07 4.64 -0.91 -2.78 113.55 119.65 1m79 h SER 99 Ca 0.24 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1m79 h SER 99 Cb 0.17 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1m79 h SER 99 CO -0.18 0.51 0.00 -0.07 -0.87 0.00 0.00 176.83 176.22 1m79 h LEU 100 N 0.90 0.00 -1.28 5.97 3.38 -1.18 -2.11 115.31 120.99 1m79 h LEU 100 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1m79 h LEU 100 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1m79 h LEU 100 CO -0.14 0.00 -0.05 0.78 0.09 0.00 0.00 178.44 179.11 1m79 h ASN 101 N 0.00 0.00 0.16 -0.43 2.35 -1.42 0.04 115.58 116.28 1m79 h ASN 101 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1m79 h ASN 101 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1m79 h ASN 101 CO 0.00 0.05 -0.13 0.18 -1.65 0.00 0.00 177.43 175.88 1m79 n LEU 102 N -3.17 1.06 -4.69 1.61 7.99 -0.79 -4.28 117.00 114.73 1m79 n LEU 102 Ca 0.01 -0.29 -0.28 0.00 -0.01 0.00 0.00 56.01 55.44 1m79 n LEU 102 Cb 0.35 -0.08 -0.08 0.00 -0.11 0.00 0.00 43.42 43.50 1m79 n LEU 102 CO 0.29 0.19 -0.32 0.68 -1.51 0.00 0.00 177.39 176.72 1m79 s VAL 103 N -2.30 3.93 0.07 4.08 -7.23 -1.12 -5.01 120.40 112.83 1m79 s VAL 103 Ca 0.31 -1.19 -0.08 0.00 -1.81 0.00 0.00 61.98 59.22 1m79 s VAL 103 Cb 0.20 -2.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 1m79 s VAL 103 CO 0.44 -0.00 0.16 -0.94 -0.31 0.00 0.00 175.10 174.45 1m79 s SER 104 N -2.66 0.15 -1.47 4.85 1.04 -1.26 -2.00 113.70 112.35 1m79 s SER 104 Ca 0.27 -0.63 -0.12 0.00 0.48 0.00 0.00 55.95 55.95 1m79 s SER 104 Cb -0.10 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.38 1m79 s SER 104 CO 0.19 -0.67 1.05 0.47 0.98 0.00 0.00 173.24 175.27 1m79 n ASP 105 N 0.16 -5.29 -4.59 7.02 10.43 -1.26 -4.99 116.55 118.04 1m79 n ASP 105 Ca -0.16 -0.70 -0.34 0.00 2.57 0.00 0.00 54.79 56.16 1m79 n ASP 105 Cb 0.61 -4.29 -0.11 0.00 1.84 0.00 0.00 41.12 39.17 1m79 n ASP 105 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1m79 s VAL 106 N -3.31 3.80 -0.09 2.53 1.01 -1.26 -2.59 120.40 120.48 1m79 s VAL 106 Ca 0.63 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 1m79 s VAL 106 Cb -0.30 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1m79 s VAL 106 CO 0.80 0.59 -0.14 1.21 0.00 0.00 0.00 175.10 177.56 1m79 n GLU 107 N 2.33 0.26 -4.41 2.72 2.13 0.53 -4.92 120.64 119.30 1m79 n GLU 107 Ca -0.18 0.26 -0.24 0.00 0.66 0.00 0.00 57.16 57.66 1m79 n GLU 107 Cb 0.53 -1.13 -0.11 0.00 0.27 0.00 0.00 31.44 31.00 1m79 n GLU 107 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1m79 s ARG 108 N -1.84 1.49 -0.09 5.31 0.52 -1.26 -5.04 118.95 118.04 1m79 s ARG 108 Ca -0.12 -1.57 0.04 0.00 -0.52 0.00 0.00 55.73 53.57 1m79 s ARG 108 Cb 0.02 -1.65 -0.00 0.00 0.52 0.00 0.00 34.95 33.84 1m79 s ARG 108 CO 0.17 0.33 -0.24 0.54 0.02 0.00 0.00 175.30 176.12 1m79 s VAL 109 N -2.10 2.07 -0.04 3.52 0.11 -1.26 -1.13 120.40 121.56 1m79 s VAL 109 Ca 0.22 -1.03 0.04 0.00 -2.93 0.00 0.00 61.98 58.29 1m79 s VAL 109 Cb -0.06 -1.78 -0.00 0.00 -1.53 0.00 0.00 36.38 33.01 1m79 s VAL 109 CO 0.10 0.56 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.91 1m79 s PHE 110 N 0.23 1.65 -0.15 1.54 0.08 -0.48 -1.34 117.98 119.51 1m79 s PHE 110 Ca -0.16 -0.48 -0.20 0.00 0.12 0.00 0.00 56.93 56.21 1m79 s PHE 110 Cb -0.17 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1m79 s PHE 110 CO 0.08 -0.17 0.58 0.42 -0.10 0.00 0.00 175.22 176.02 1m79 s ILE 111 N 0.10 5.09 -0.53 0.64 1.01 0.18 0.21 121.20 127.90 1m79 s ILE 111 Ca -0.05 1.12 0.06 0.00 0.00 0.00 0.00 60.65 61.78 1m79 s ILE 111 Cb -0.12 -3.90 0.15 0.00 0.01 0.00 0.00 42.46 38.60 1m79 s ILE 111 CO 0.02 0.21 1.08 2.30 0.00 0.00 0.00 174.94 178.55 1m79 n ILE 112 N 4.19 0.86 0.00 2.92 -5.35 0.00 -1.34 119.36 120.66 1m79 n ILE 112 Ca -0.04 -0.93 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 1m79 n ILE 112 Cb 0.51 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 1m79 n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1m79 n GLY 113 N 0.09 1.52 0.00 3.28 0.00 -1.26 -4.96 105.19 103.86 1m79 n GLY 113 Ca 0.06 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1m79 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m79 n GLY 114 N -1.14 1.33 0.27 -0.02 0.00 -1.26 -1.44 105.19 102.93 1m79 n GLY 114 Ca 0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 1m79 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m79 h ALA 115 N -1.42 0.85 -0.31 4.61 0.00 -1.97 0.13 119.26 121.16 1m79 h ALA 115 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1m79 h ALA 115 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1m79 h ALA 115 CO 0.00 0.31 0.11 1.49 0.00 0.00 0.00 179.25 181.16 1m79 h GLU 116 N 0.91 0.47 0.09 0.00 4.81 -1.97 -1.85 114.58 117.04 1m79 h GLU 116 Ca 0.24 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1m79 h GLU 116 Cb -0.05 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1m79 h GLU 116 CO -0.05 0.50 -0.32 0.82 -0.73 0.00 0.00 179.01 179.23 1m79 h ILE 117 N 0.34 0.31 -0.18 2.32 1.08 -1.80 -1.88 117.51 117.71 1m79 h ILE 117 Ca 0.10 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.62 1m79 h ILE 117 Cb 0.21 0.31 -0.06 0.00 -3.07 0.00 0.00 36.82 34.21 1m79 h ILE 117 CO -0.01 0.00 -0.26 1.88 -0.69 0.00 0.00 178.15 179.08 1m79 h TYR 118 N -0.53 -0.68 0.00 1.37 0.05 -0.55 0.41 116.97 117.04 1m79 h TYR 118 Ca 0.04 0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 1m79 h TYR 118 Cb 0.57 0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.64 1m79 h TYR 118 CO -0.30 -0.33 -0.19 -0.91 -1.05 0.00 0.00 178.16 175.37 1m79 h ASN 119 N -0.30 0.00 0.01 3.88 2.35 -1.22 -2.28 115.58 118.02 1m79 h ASN 119 Ca 0.12 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 1m79 h ASN 119 Cb 0.47 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 1m79 h ASN 119 CO -0.35 0.19 -0.80 -0.33 -1.65 0.00 0.00 177.43 174.49 1m79 h GLU 120 N 0.00 0.02 0.00 0.81 4.39 -1.22 -3.40 114.58 115.19 1m79 h GLU 120 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1m79 h GLU 120 Cb 0.35 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1m79 h GLU 120 CO 0.02 1.02 0.00 1.28 -1.16 0.00 0.00 179.01 180.17 1m79 n LEU 121 N -4.45 0.34 0.20 1.33 4.32 0.12 -2.90 117.00 115.96 1m79 n LEU 121 Ca -0.23 0.57 0.06 0.00 -0.02 0.00 0.00 56.01 56.39 1m79 n LEU 121 Cb 0.63 -0.51 0.54 0.00 -1.62 0.00 0.00 43.42 42.46 1m79 n LEU 121 CO 0.27 -0.32 1.00 -0.29 -1.22 0.00 0.00 177.39 176.82 1m79 h ILE 122 N 0.00 1.08 -0.36 -0.08 6.09 -1.62 -1.72 117.51 120.90 1m79 h ILE 122 Ca 0.00 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1m79 h ILE 122 Cb 0.38 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.76 1m79 h ILE 122 CO 0.00 0.10 0.00 0.59 -3.07 0.00 0.00 178.15 175.77 1m79 n ASN 123 N -4.43 2.31 -4.67 2.19 3.02 -1.14 -4.83 115.26 107.71 1m79 n ASN 123 Ca -0.02 -2.10 -0.38 0.00 -0.03 0.00 0.00 54.58 52.06 1m79 n ASN 123 Cb 0.16 -0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 38.93 1m79 n ASN 123 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1m79 s ASN 124 N -0.88 6.35 0.00 6.41 3.84 -0.65 -4.96 114.94 125.05 1m79 s ASN 124 Ca 0.26 0.41 0.07 0.00 0.21 0.00 0.00 52.86 53.80 1m79 s ASN 124 Cb 0.15 -2.19 0.28 0.00 -0.55 0.00 0.00 41.25 38.94 1m79 s ASN 124 CO 0.15 -0.02 1.20 -1.54 -2.79 0.00 0.00 177.10 174.11 1m79 n SER 125 N 4.34 0.00 0.23 -4.21 3.41 -1.26 -1.28 113.62 114.86 1m79 n SER 125 Ca -0.10 0.49 0.10 0.00 -0.26 0.00 0.00 58.87 59.09 1m79 n SER 125 Cb 0.51 -0.49 0.55 0.00 -0.26 0.00 0.00 64.21 64.52 1m79 n SER 125 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1m79 h LEU 126 N 0.00 0.00 -9.02 1.04 3.38 -1.92 -3.42 115.31 105.37 1m79 h LEU 126 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1m79 h LEU 126 Cb 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1m79 h LEU 126 CO 0.00 0.22 1.00 -0.69 0.09 0.00 0.00 178.44 179.06 1m79 s VAL 127 N -3.95 4.03 -0.09 1.22 1.01 -0.40 -1.51 120.40 120.72 1m79 s VAL 127 Ca -0.01 1.18 0.08 0.00 0.00 0.00 0.00 61.98 63.23 1m79 s VAL 127 Cb 0.12 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 1m79 s VAL 127 CO 0.63 -0.35 0.20 -1.54 0.00 0.00 0.00 175.10 174.04 1m79 n SER 128 N 7.63 2.60 -3.86 3.32 3.41 0.04 -4.91 113.62 121.85 1m79 n SER 128 Ca 0.16 -0.15 -0.12 0.00 -0.26 0.00 0.00 58.87 58.50 1m79 n SER 128 Cb 0.46 1.28 -0.12 0.00 -0.26 0.00 0.00 64.21 65.56 1m79 n SER 128 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1m79 s HIS 129 N -2.35 -0.05 -0.12 7.33 3.76 -1.19 -3.93 115.29 118.73 1m79 s HIS 129 Ca -0.02 0.14 0.03 0.00 -0.15 0.00 0.00 55.06 55.06 1m79 s HIS 129 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 32.58 33.75 1m79 s HIS 129 CO 0.32 -0.10 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.38 1m79 s LEU 130 N -0.28 2.16 -0.43 0.89 1.43 -0.56 -1.02 118.68 120.87 1m79 s LEU 130 Ca -0.03 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 1m79 s LEU 130 Cb -0.02 -1.44 0.11 0.00 0.03 0.00 0.00 46.19 44.86 1m79 s LEU 130 CO 0.00 0.13 0.26 -0.76 0.23 0.00 0.00 176.35 176.22 1m79 s LEU 131 N 0.52 5.42 -0.19 1.79 1.02 0.95 -0.79 118.68 127.40 1m79 s LEU 131 Ca -0.14 -1.95 -0.03 0.00 0.02 0.00 0.00 54.13 52.03 1m79 s LEU 131 Cb -0.17 -1.91 -0.01 0.00 0.02 0.00 0.00 46.19 44.12 1m79 s LEU 131 CO 0.05 -0.60 -0.07 -0.63 0.02 0.00 0.00 176.35 175.12 1m79 s ILE 132 N 1.25 3.33 -0.28 -0.59 1.01 -0.97 -1.48 121.20 123.47 1m79 s ILE 132 Ca 0.07 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 59.98 1m79 s ILE 132 Cb -0.24 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 1m79 s ILE 132 CO -0.02 0.46 0.65 -0.89 0.00 0.00 0.00 174.94 175.13 1m79 s THR 133 N 1.09 4.94 -0.36 2.92 2.01 0.01 -1.55 115.64 124.71 1m79 s THR 133 Ca 0.01 1.03 -0.19 0.00 0.31 0.00 0.00 61.69 62.85 1m79 s THR 133 Cb -0.15 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1m79 s THR 133 CO -0.01 -0.07 0.57 -1.61 -0.69 0.00 0.00 174.62 172.81 1m79 s GLU 134 N 2.60 3.62 -0.12 4.92 2.02 0.57 -0.92 118.70 131.40 1m79 s GLU 134 Ca 0.27 -0.08 -0.07 0.00 0.02 0.00 0.00 54.97 55.11 1m79 s GLU 134 Cb -0.15 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 1m79 s GLU 134 CO 0.10 -0.70 0.13 0.42 0.02 0.00 0.00 175.26 175.23 1m79 s ILE 135 N 2.55 5.42 0.07 -1.63 1.01 -0.22 -2.24 121.20 126.16 1m79 s ILE 135 Ca 0.21 0.18 0.06 0.00 0.00 0.00 0.00 60.65 61.10 1m79 s ILE 135 Cb -0.15 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1m79 s ILE 135 CO 0.14 0.61 -0.15 -1.61 0.00 0.00 0.00 174.94 173.93 1m79 s GLU 136 N -0.96 0.91 -0.04 2.79 2.02 0.77 -0.57 118.70 123.61 1m79 s GLU 136 Ca 0.15 -0.93 -0.08 0.00 0.02 0.00 0.00 54.97 54.12 1m79 s GLU 136 Cb -0.12 -0.96 0.01 0.00 0.10 0.00 0.00 34.13 33.17 1m79 s GLU 136 CO 0.04 0.22 0.19 -1.58 0.02 0.00 0.00 175.26 174.15 1m79 s HIS 137 N -1.13 -0.11 0.37 1.61 5.65 -1.26 -1.41 115.29 119.01 1m79 s HIS 137 Ca 0.00 0.23 0.05 0.00 0.25 0.00 0.00 55.06 55.60 1m79 s HIS 137 Cb -0.09 0.03 0.74 0.00 -1.18 0.00 0.00 32.58 32.07 1m79 s HIS 137 CO 0.02 -0.22 1.99 -1.00 -0.65 0.00 0.00 174.74 174.88 1m79 h PRO 138 N 4.90 0.73 -2.22 2.88 0.13 -2.00 -3.33 132.00 133.08 1m79 h PRO 138 Ca -0.28 -0.04 -0.58 0.00 -0.87 0.00 0.00 66.00 64.22 1m79 h PRO 138 Cb 1.19 -0.16 -0.39 0.00 0.13 0.00 0.00 31.00 31.77 1m79 h PRO 138 CO 0.39 0.48 -0.97 0.45 -0.23 0.00 0.00 178.00 178.13 1m79 n SER 139 N -4.46 0.59 0.34 1.44 2.88 -1.26 -4.97 113.62 108.18 1m79 n SER 139 Ca 0.08 -2.72 0.22 0.00 -1.33 0.00 0.00 58.87 55.12 1m79 n SER 139 Cb 0.15 -0.62 1.16 0.00 -0.75 0.00 0.00 64.21 64.15 1m79 n SER 139 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1m79 h PRO 140 N 4.65 0.00 0.00 -1.46 0.13 -1.90 -1.04 132.00 132.38 1m79 h PRO 140 Ca 0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 1m79 h PRO 140 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 1m79 h PRO 140 CO 0.50 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.17 1m79 h GLU 141 N 0.00 0.00 0.00 0.86 3.07 -1.94 -2.88 114.58 113.69 1m79 h GLU 141 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1m79 h GLU 141 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1m79 h GLU 141 CO -0.00 0.03 0.00 -1.13 -1.40 0.00 0.00 179.01 176.51 1m79 n SER 142 N -3.11 0.78 -4.61 1.42 3.41 -0.39 -4.72 113.62 106.38 1m79 n SER 142 Ca 0.02 0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 58.82 1m79 n SER 142 Cb 0.41 -0.79 -0.07 0.00 -0.26 0.00 0.00 64.21 63.50 1m79 n SER 142 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1m79 s ILE 143 N -3.14 5.00 0.11 -1.33 1.01 -1.09 -5.04 121.20 116.72 1m79 s ILE 143 Ca 0.09 0.91 -0.30 0.00 0.00 0.00 0.00 60.65 61.36 1m79 s ILE 143 Cb 0.12 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 1m79 s ILE 143 CO 0.56 -0.03 1.21 -1.61 0.00 0.00 0.00 174.94 175.07 1m79 s GLU 144 N 2.48 4.45 -0.04 2.79 0.41 -1.26 -5.02 118.70 122.50 1m79 s GLU 144 Ca 0.24 1.83 -0.11 0.00 -0.41 0.00 0.00 54.97 56.52 1m79 s GLU 144 Cb -0.15 -3.30 0.02 0.00 -1.78 0.00 0.00 34.13 28.92 1m79 s GLU 144 CO 0.10 -0.20 0.26 1.41 -0.49 0.00 0.00 175.26 176.34 1m79 s MET 145 N 0.57 0.51 0.00 1.61 1.75 -1.26 -4.67 119.30 117.81 1m79 s MET 145 Ca 0.57 -0.05 0.00 0.00 -1.25 0.00 0.00 55.69 54.96 1m79 s MET 145 Cb -0.31 0.23 0.00 0.00 2.84 0.00 0.00 34.83 37.59 1m79 s MET 145 CO 0.32 -0.12 0.18 -0.40 -0.65 0.00 0.00 175.02 174.35 1m79 n ASP 146 N 1.86 0.36 -4.01 1.11 3.85 0.40 -4.96 116.55 115.16 1m79 n ASP 146 Ca -0.19 -0.71 -0.22 0.00 -0.71 0.00 0.00 54.79 52.96 1m79 n ASP 146 Cb 0.57 0.26 -0.16 0.00 -1.35 0.00 0.00 41.12 40.44 1m79 n ASP 146 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1m79 s THR 147 N -0.26 0.92 0.02 2.12 2.01 -1.10 -5.00 115.64 114.35 1m79 s THR 147 Ca 0.00 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1m79 s THR 147 Cb 0.00 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 1m79 s THR 147 CO 0.00 0.29 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.82 1m79 s PHE 148 N 0.40 0.33 0.24 4.92 0.40 -1.26 -0.96 117.98 122.05 1m79 s PHE 148 Ca -0.08 -0.53 -0.30 0.00 -0.60 0.00 0.00 56.93 55.43 1m79 s PHE 148 Cb -0.12 -0.23 -0.09 0.00 0.51 0.00 0.00 43.02 43.10 1m79 s PHE 148 CO 0.02 -0.18 1.10 -0.51 0.70 0.00 0.00 175.22 176.35 1m79 s LEU 149 N -1.50 4.53 -0.69 -0.37 1.43 -0.24 -4.93 118.68 116.92 1m79 s LEU 149 Ca -0.15 2.19 0.05 0.00 -1.03 0.00 0.00 54.13 55.20 1m79 s LEU 149 Cb -0.10 -3.62 0.24 0.00 0.03 0.00 0.00 46.19 42.75 1m79 s LEU 149 CO -0.01 -0.16 0.76 2.29 0.23 0.00 0.00 176.35 179.46 1m79 n LYS 150 N 1.64 2.56 -4.17 1.70 2.85 -1.26 -4.90 118.16 116.58 1m79 n LYS 150 Ca 0.00 -4.64 -0.35 0.00 -1.05 0.00 0.00 58.31 52.27 1m79 n LYS 150 Cb 0.45 -2.28 -0.10 0.00 -0.65 0.00 0.00 35.03 32.45 1m79 n LYS 150 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1m79 s PHE 151 N -2.33 3.22 -1.44 5.58 0.08 -1.26 -4.89 117.98 116.94 1m79 s PHE 151 Ca 0.37 0.10 -0.12 0.00 0.12 0.00 0.00 56.93 57.39 1m79 s PHE 151 Cb 0.11 -1.95 0.05 0.00 -0.57 0.00 0.00 43.02 40.66 1m79 s PHE 151 CO -0.03 0.28 2.26 -0.35 -0.10 0.00 0.00 175.22 177.29 1m79 n PRO 152 N 2.94 3.17 0.13 0.24 -0.04 -1.26 -4.75 135.00 135.43 1m79 n PRO 152 Ca -0.18 -2.76 0.10 0.00 -0.04 0.00 0.00 63.50 60.63 1m79 n PRO 152 Cb 0.53 -3.13 0.50 0.00 -0.04 0.00 0.00 33.50 31.35 1m79 n PRO 152 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1m79 n LEU 153 N 5.18 0.52 0.11 1.53 4.77 -1.26 -1.60 117.00 126.25 1m79 n LEU 153 Ca 0.53 0.70 0.11 0.00 -0.03 0.00 0.00 56.01 57.33 1m79 n LEU 153 Cb 0.36 -0.71 0.46 0.00 -2.33 0.00 0.00 43.42 41.20 1m79 n LEU 153 CO 0.87 -0.77 0.83 -1.84 -1.33 0.00 0.00 177.39 175.16 1m79 n GLU 154 N -2.16 0.16 -0.01 3.23 0.00 -1.26 -1.52 120.64 119.08 1m79 n GLU 154 Ca -0.00 0.40 0.13 0.00 0.00 0.00 0.00 57.16 57.69 1m79 n GLU 154 Cb 0.09 -1.82 0.31 0.00 0.00 0.00 0.00 31.44 30.03 1m79 n GLU 154 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1m79 n SER 155 N -2.12 2.30 -4.31 -1.84 7.64 -0.63 -4.95 113.62 109.69 1m79 n SER 155 Ca 0.02 -1.76 -0.21 0.00 1.01 0.00 0.00 58.87 57.92 1m79 n SER 155 Cb 0.21 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.28 1m79 n SER 155 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1m79 s TRP 156 N -1.96 1.76 -0.13 1.43 0.52 -0.57 -1.54 118.94 118.44 1m79 s TRP 156 Ca 0.33 -0.48 0.01 0.00 0.02 0.00 0.00 56.10 55.98 1m79 s TRP 156 Cb 0.20 -0.89 -0.01 0.00 -1.15 0.00 0.00 33.47 31.63 1m79 s TRP 156 CO 0.31 0.29 -0.16 0.99 0.02 0.00 0.00 176.95 178.40 1m79 s THR 157 N -1.98 2.70 -0.11 2.01 2.01 0.94 -4.80 115.64 116.40 1m79 s THR 157 Ca 0.14 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 61.06 1m79 s THR 157 Cb -0.06 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 1m79 s THR 157 CO 0.06 0.53 1.00 -0.75 -0.69 0.00 0.00 174.62 174.77 1m79 s LYS 158 N 0.46 4.42 0.54 4.92 2.20 -1.26 -1.12 119.74 129.90 1m79 s LYS 158 Ca -0.12 1.37 -0.05 0.00 -0.36 0.00 0.00 55.97 56.81 1m79 s LYS 158 Cb -0.16 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 1m79 s LYS 158 CO 0.05 -0.31 0.85 -0.65 -0.36 0.00 0.00 175.35 174.93 1m79 s GLN 159 N 2.01 3.20 0.71 4.03 -1.52 0.03 -5.00 119.66 123.12 1m79 s GLN 159 Ca 0.48 0.08 -0.13 0.00 -1.95 0.00 0.00 55.36 53.84 1m79 s GLN 159 Cb -0.18 -2.32 0.03 0.00 -0.22 0.00 0.00 33.01 30.31 1m79 s GLN 159 CO 0.18 -0.48 1.10 -1.25 -0.25 0.00 0.00 175.29 174.59 1m79 s PRO 160 N -4.88 2.55 0.48 2.91 0.04 -1.26 -4.63 135.00 130.22 1m79 s PRO 160 Ca 0.51 1.26 0.23 0.00 0.04 0.00 0.00 61.00 63.04 1m79 s PRO 160 Cb -0.10 -1.93 1.26 0.00 0.04 0.00 0.00 34.50 33.77 1m79 s PRO 160 CO 0.45 -1.43 1.93 -0.22 0.04 0.00 0.00 177.00 177.77 1m79 h LYS 161 N -0.56 0.18 -1.00 4.56 3.64 -1.97 0.77 116.57 122.19 1m79 h LYS 161 Ca -0.45 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1m79 h LYS 161 Cb 1.24 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 1m79 h LYS 161 CO 0.53 0.12 0.65 0.66 -2.27 0.00 0.00 179.45 179.14 1m79 h SER 162 N 0.19 1.04 -0.42 4.20 4.64 -1.99 0.23 113.55 121.43 1m79 h SER 162 Ca 0.36 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.55 1m79 h SER 162 Cb 1.15 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1m79 h SER 162 CO -0.07 0.66 -0.30 -0.33 -0.87 0.00 0.00 176.83 175.92 1m79 h GLU 163 N 1.17 0.94 -0.52 4.77 4.39 -1.20 -2.16 114.58 121.97 1m79 h GLU 163 Ca 0.43 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1m79 h GLU 163 Cb 0.17 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1m79 h GLU 163 CO -0.17 1.12 0.27 1.25 -1.16 0.00 0.00 179.01 180.32 1m79 h LEU 164 N 0.77 0.67 -0.61 1.33 5.85 -1.19 -1.76 115.31 120.37 1m79 h LEU 164 Ca 0.08 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.78 1m79 h LEU 164 Cb 0.89 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 1m79 h LEU 164 CO 0.08 0.59 0.24 -0.61 -0.34 0.00 0.00 178.44 178.40 1m79 h GLN 165 N 0.70 0.42 -0.32 1.25 5.75 -0.48 -0.70 115.11 121.74 1m79 h GLN 165 Ca 0.18 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.59 1m79 h GLN 165 Cb 0.08 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 1m79 h GLN 165 CO -0.03 0.28 -0.09 0.87 -2.65 0.00 0.00 178.83 177.22 1m79 h LYS 166 N 0.44 0.52 -0.44 1.69 1.57 -1.24 -1.41 116.57 117.70 1m79 h LYS 166 Ca 0.30 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1m79 h LYS 166 Cb 0.35 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1m79 h LYS 166 CO -0.29 0.62 0.13 0.35 -0.57 0.00 0.00 179.45 179.69 1m79 h PHE 167 N 0.49 0.72 -0.01 -1.35 3.04 -0.26 -3.22 116.94 116.36 1m79 h PHE 167 Ca 0.10 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1m79 h PHE 167 Cb 0.45 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.75 1m79 h PHE 167 CO 0.02 0.66 -0.27 1.33 -2.02 0.00 0.00 178.31 178.02 1m79 n VAL 168 N -4.55 0.00 0.00 1.41 0.24 -0.52 -5.04 118.33 109.88 1m79 n VAL 168 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1m79 n VAL 168 Cb 0.19 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1m79 n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1m79 n GLY 169 N 1.35 3.61 0.25 7.63 0.00 -0.55 -3.26 105.19 114.22 1m79 n GLY 169 Ca 0.12 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1m79 n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1m79 h ASP 170 N 0.00 0.00 -2.06 1.61 3.45 -1.95 -3.45 116.42 114.02 1m79 h ASP 170 Ca 0.00 0.00 -0.64 0.00 0.43 0.00 0.00 57.03 56.82 1m79 h ASP 170 Cb 0.00 0.00 0.07 0.00 -0.56 0.00 0.00 39.33 38.84 1m79 h ASP 170 CO 0.00 0.14 0.46 0.41 -1.57 0.00 0.00 179.24 178.68 1m79 n THR 171 N -3.50 0.54 -2.56 0.35 -1.04 -1.20 -4.92 114.28 101.95 1m79 n THR 171 Ca -0.01 -0.14 -0.42 0.00 -2.04 0.00 0.00 64.05 61.44 1m79 n THR 171 Cb 0.30 -1.05 -0.03 0.00 -1.82 0.00 0.00 70.33 67.73 1m79 n THR 171 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1m79 s VAL 172 N 0.16 4.48 -0.42 12.58 1.01 -1.26 -5.01 120.40 131.95 1m79 s VAL 172 Ca 0.76 1.78 -0.03 0.00 0.00 0.00 0.00 61.98 64.49 1m79 s VAL 172 Cb -0.82 -4.15 0.11 0.00 0.00 0.00 0.00 36.38 31.53 1m79 s VAL 172 CO 0.48 0.01 0.22 -0.76 0.00 0.00 0.00 175.10 175.05 1m79 s LEU 173 N 2.06 5.28 0.56 3.92 1.43 -1.26 -5.06 118.68 125.61 1m79 s LEU 173 Ca 0.53 -2.05 -0.12 0.00 -1.03 0.00 0.00 54.13 51.45 1m79 s LEU 173 Cb -0.22 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 1m79 s LEU 173 CO 0.21 -0.55 0.97 -1.61 0.23 0.00 0.00 176.35 175.60 1m79 s GLU 174 N 1.11 3.71 0.00 1.70 2.02 -1.26 -5.07 118.70 120.91 1m79 s GLU 174 Ca 0.08 0.73 -0.01 0.00 0.02 0.00 0.00 54.97 55.79 1m79 s GLU 174 Cb -0.23 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 1m79 s GLU 174 CO -0.04 -0.40 0.11 -0.51 0.02 0.00 0.00 175.26 174.44 1m79 s ASP 175 N -3.77 5.89 -1.22 -0.19 1.01 -1.26 -4.70 116.67 112.44 1m79 s ASP 175 Ca 0.55 0.20 -0.30 0.00 0.71 0.00 0.00 52.55 53.71 1m79 s ASP 175 Cb -0.11 -1.74 0.03 0.00 1.01 0.00 0.00 42.92 42.12 1m79 s ASP 175 CO 0.45 0.26 0.67 0.47 0.21 0.00 0.00 175.17 177.22 1m79 n ASP 176 N 1.04 -4.06 -4.73 0.27 10.43 -1.23 -4.88 116.55 113.39 1m79 n ASP 176 Ca -0.12 -1.24 -0.41 0.00 2.57 0.00 0.00 54.79 55.59 1m79 n ASP 176 Cb 0.53 -2.04 -0.03 0.00 1.84 0.00 0.00 41.12 41.41 1m79 n ASP 176 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1m79 s ILE 177 N -3.57 3.58 -0.08 0.53 1.01 -0.38 -4.72 121.20 117.57 1m79 s ILE 177 Ca 0.46 1.25 0.04 0.00 0.00 0.00 0.00 60.65 62.40 1m79 s ILE 177 Cb -0.23 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1m79 s ILE 177 CO 0.95 0.16 -0.19 -0.54 0.00 0.00 0.00 174.94 175.32 1m79 s LYS 178 N 0.23 2.81 -0.16 2.79 1.02 -1.26 -0.38 119.74 124.78 1m79 s LYS 178 Ca 0.56 -0.80 -0.04 0.00 0.02 0.00 0.00 55.97 55.71 1m79 s LYS 178 Cb -0.33 -2.35 0.07 0.00 -0.52 0.00 0.00 37.83 34.71 1m79 s LYS 178 CO 0.34 0.37 0.19 -1.21 -0.92 0.00 0.00 175.35 174.12 1m79 s GLU 179 N -0.11 0.13 6.86 1.68 2.02 -0.66 -5.03 118.70 123.58 1m79 s GLU 179 Ca -0.04 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.24 1m79 s GLU 179 Cb -0.14 -0.99 0.00 0.00 0.10 0.00 0.00 34.13 33.10 1m79 s GLU 179 CO 0.04 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.19 1m79 n GLY 180 N 5.32 2.74 0.51 -1.39 0.00 -1.26 -1.70 105.19 109.41 1m79 n GLY 180 Ca -0.05 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.78 1m79 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1m79 n ASP 181 N 4.09 1.59 -4.86 1.61 10.43 -1.26 -4.89 116.55 123.25 1m79 n ASP 181 Ca 0.00 -1.54 -0.36 0.00 2.57 0.00 0.00 54.79 55.45 1m79 n ASP 181 Cb 0.00 -0.01 -0.06 0.00 1.84 0.00 0.00 41.12 42.89 1m79 n ASP 181 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1m79 s PHE 182 N -1.98 3.63 -0.04 1.24 0.08 -0.69 -4.28 117.98 115.95 1m79 s PHE 182 Ca 0.37 0.74 0.06 0.00 0.12 0.00 0.00 56.93 58.22 1m79 s PHE 182 Cb 0.21 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 1m79 s PHE 182 CO 0.33 0.64 -0.23 0.99 -0.10 0.00 0.00 175.22 176.85 1m79 s THR 183 N -1.18 1.82 0.08 0.64 2.01 -0.50 -1.66 115.64 116.85 1m79 s THR 183 Ca 0.24 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 1m79 s THR 183 Cb -0.14 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1m79 s THR 183 CO 0.13 0.51 0.06 -0.72 -0.69 0.00 0.00 174.62 173.91 1m79 s TYR 184 N -0.29 0.45 -0.02 4.92 1.13 0.49 -0.17 117.35 123.86 1m79 s TYR 184 Ca 0.02 -0.93 -0.06 0.00 -1.41 0.00 0.00 57.07 54.69 1m79 s TYR 184 Cb -0.11 -0.29 0.00 0.00 -1.10 0.00 0.00 41.96 40.46 1m79 s TYR 184 CO 0.01 -0.46 0.13 -0.80 -2.51 0.00 0.00 175.55 171.92 1m79 s ASN 185 N -2.92 -0.02 0.06 -0.18 -0.87 -0.95 -1.25 114.94 108.80 1m79 s ASN 185 Ca 0.09 -0.05 -0.19 0.00 -1.57 0.00 0.00 52.86 51.14 1m79 s ASN 185 Cb 0.07 0.23 -0.06 0.00 -0.02 0.00 0.00 41.25 41.46 1m79 s ASN 185 CO -0.08 -0.25 0.55 -0.31 -2.57 0.00 0.00 177.10 174.43 1m79 s TYR 186 N -0.86 3.79 0.06 2.20 2.02 -1.26 -0.31 117.35 122.99 1m79 s TYR 186 Ca -0.10 1.23 -0.00 0.00 -0.37 0.00 0.00 57.07 57.84 1m79 s TYR 186 Cb -0.05 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.99 1m79 s TYR 186 CO 0.01 0.58 -0.04 0.95 -1.57 0.00 0.00 175.55 175.48 1m79 s THR 187 N -1.05 0.37 -0.03 -0.71 -4.23 -0.59 -4.95 115.64 104.45 1m79 s THR 187 Ca 0.28 -1.78 0.04 0.00 -1.18 0.00 0.00 61.69 59.05 1m79 s THR 187 Cb -0.19 -1.48 -0.01 0.00 1.34 0.00 0.00 72.50 72.16 1m79 s THR 187 CO 0.18 -0.92 -0.16 -0.22 -0.54 0.00 0.00 174.62 172.97 1m79 s LEU 188 N -2.85 1.93 0.02 4.79 2.96 -1.26 -2.30 118.68 121.97 1m79 s LEU 188 Ca 0.07 -0.31 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 1m79 s LEU 188 Cb 0.06 -0.86 -0.02 0.00 0.50 0.00 0.00 46.19 45.87 1m79 s LEU 188 CO -0.08 0.15 -0.16 0.26 -1.32 0.00 0.00 176.35 175.21 1m79 s TRP 189 N -0.07 1.39 0.25 5.38 0.52 0.03 -0.79 118.94 125.65 1m79 s TRP 189 Ca -0.01 -0.31 0.04 0.00 0.02 0.00 0.00 56.10 55.84 1m79 s TRP 189 Cb -0.09 -0.86 -0.05 0.00 -1.15 0.00 0.00 33.47 31.32 1m79 s TRP 189 CO 0.01 0.02 0.00 0.95 0.02 0.00 0.00 176.95 177.95 1m79 s THR 190 N -0.63 1.14 0.36 2.01 -4.23 -0.27 -1.50 115.64 112.52 1m79 s THR 190 Ca 0.04 -2.04 -0.26 0.00 -1.18 0.00 0.00 61.69 58.26 1m79 s THR 190 Cb -0.07 -2.45 -0.09 0.00 1.34 0.00 0.00 72.50 71.23 1m79 s THR 190 CO 0.01 -0.26 1.06 -0.13 -0.54 0.00 0.00 174.62 174.76 1m79 s ARG 191 N -3.85 4.32 0.00 3.99 0.52 -1.25 -0.04 118.95 122.63 1m79 s ARG 191 Ca 0.30 1.58 0.26 0.00 -0.52 0.00 0.00 55.73 57.35 1m79 s ARG 191 Cb 0.06 -2.73 1.53 0.00 0.52 0.00 0.00 34.95 34.33 1m79 s ARG 191 CO 0.10 -0.02 1.89 0.36 0.02 0.00 0.00 175.30 177.65