#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i98 s ASN 2 N 0.00 6.33 0.56 3.17 3.04 -1.26 -4.72 114.94 122.06 3i98 s ASN 2 Ca 0.00 -0.34 0.24 0.00 0.04 0.00 0.00 52.86 52.81 3i98 s ASN 2 Cb 0.00 -2.33 1.54 0.00 -1.54 0.00 0.00 41.25 38.92 3i98 s ASN 2 CO 0.00 -0.82 2.14 -0.65 -3.04 0.00 0.00 177.10 174.73 3i98 h PRO 3 N 8.91 0.00 -0.72 0.43 0.11 -1.92 -1.27 132.00 137.54 3i98 h PRO 3 Ca -0.25 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 3i98 h PRO 3 Cb 1.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3i98 h PRO 3 CO 0.91 0.00 0.39 0.35 -0.21 0.00 0.00 178.00 179.45 3i98 h PHE 4 N 0.00 0.97 0.00 0.65 3.57 -1.92 -2.49 116.94 117.72 3i98 h PHE 4 Ca 0.06 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.40 3i98 h PHE 4 Cb 0.30 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3i98 h PHE 4 CO 0.00 0.68 -1.33 0.45 -2.23 0.00 0.00 178.31 175.87 3i98 h HIS 5 N 1.00 0.00 0.14 0.41 3.86 -1.68 -1.93 115.15 116.95 3i98 h HIS 5 Ca 0.25 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.15 3i98 h HIS 5 Cb 0.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 3i98 h HIS 5 CO 0.01 0.52 -1.57 0.93 0.86 0.00 0.00 177.93 178.68 3i98 h GLU 6 N 0.00 0.30 -6.58 2.45 4.39 -1.21 -3.47 114.58 110.46 3i98 h GLU 6 Ca -0.14 -0.51 -0.52 0.00 0.34 0.00 0.00 59.36 58.53 3i98 h GLU 6 Cb 1.52 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 30.33 3i98 h GLU 6 CO 0.04 1.18 0.16 -0.51 -1.16 0.00 0.00 179.01 178.72 3i98 s LEU 7 N -7.09 4.45 0.68 1.33 1.43 -0.95 -5.07 118.68 113.47 3i98 s LEU 7 Ca -0.10 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.43 3i98 s LEU 7 Cb 0.06 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.79 3i98 s LEU 7 CO 0.86 0.10 1.07 -1.61 0.23 0.00 0.00 176.35 177.00 3i98 s GLU 8 N -1.63 2.87 0.59 1.70 2.02 -1.26 -4.25 118.70 118.75 3i98 s GLU 8 Ca 0.41 1.10 0.30 0.00 0.02 0.00 0.00 54.97 56.80 3i98 s GLU 8 Cb -0.20 -1.98 1.81 0.00 0.10 0.00 0.00 34.13 33.87 3i98 s GLU 8 CO 0.23 -1.16 2.22 -1.35 0.02 0.00 0.00 175.26 175.23 3i98 h PRO 9 N -0.45 0.00 0.00 0.39 0.11 -1.88 -3.43 132.00 126.74 3i98 h PRO 9 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i98 h PRO 9 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i98 h PRO 9 CO 0.55 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.75 3i98 n GLY 10 N -1.33 1.53 0.14 -0.55 0.00 -1.26 -0.62 105.19 103.11 3i98 n GLY 10 Ca -0.02 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.28 3i98 n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i98 h PRO 11 N 0.00 0.00 -0.48 1.61 0.13 -1.88 -3.39 132.00 127.99 3i98 h PRO 11 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 3i98 h PRO 11 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 3i98 h PRO 11 CO 0.00 0.00 -0.63 -1.91 -0.23 0.00 0.00 178.00 175.23 3i98 n GLU 12 N -2.56 0.97 -1.86 0.86 2.13 -1.09 -5.04 120.64 114.06 3i98 n GLU 12 Ca 0.04 -2.25 -0.41 0.00 0.66 0.00 0.00 57.16 55.20 3i98 n GLU 12 Cb 0.47 -1.22 -0.01 0.00 0.27 0.00 0.00 31.44 30.95 3i98 n GLU 12 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i98 s VAL 13 N -0.30 2.21 -1.45 6.31 1.01 -1.19 -1.11 120.40 125.89 3i98 s VAL 13 Ca 0.27 0.20 0.18 0.00 0.00 0.00 0.00 61.98 62.63 3i98 s VAL 13 Cb 0.29 -3.13 0.65 0.00 0.00 0.00 0.00 36.38 34.19 3i98 s VAL 13 CO -0.08 0.04 1.54 -0.81 0.00 0.00 0.00 175.10 175.80 3i98 n PRO 14 N 1.11 3.22 -0.07 2.72 -0.04 -1.26 -4.88 135.00 135.80 3i98 n PRO 14 Ca 0.03 -2.58 -0.15 0.00 -0.04 0.00 0.00 63.50 60.76 3i98 n PRO 14 Cb 0.39 -1.75 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 3i98 n PRO 14 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i98 h GLU 15 N 3.85 0.85 -4.17 0.54 4.39 -1.53 -3.43 114.58 115.08 3i98 h GLU 15 Ca 0.00 -0.56 -0.50 0.00 0.34 0.00 0.00 59.36 58.63 3i98 h GLU 15 Cb 1.21 0.08 -0.36 0.00 -0.10 0.00 0.00 28.75 29.58 3i98 h GLU 15 CO 0.15 1.19 -0.80 0.08 -1.16 0.00 0.00 179.01 178.47 3i98 s VAL 16 N -4.07 0.91 0.33 3.13 1.01 -0.26 -4.21 120.40 117.24 3i98 s VAL 16 Ca -0.11 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 61.73 3i98 s VAL 16 Cb 0.10 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.48 3i98 s VAL 16 CO 0.89 0.34 -0.11 0.68 0.00 0.00 0.00 175.10 176.90 3i98 s VAL 17 N 1.57 2.30 -0.04 2.92 -7.23 -0.25 -2.65 120.40 117.01 3i98 s VAL 17 Ca 0.01 -2.24 -0.22 0.00 -1.81 0.00 0.00 61.98 57.72 3i98 s VAL 17 Cb -0.13 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 3i98 s VAL 17 CO -0.06 -0.24 0.66 -0.31 -0.31 0.00 0.00 175.10 174.84 3i98 s TYR 18 N -2.59 3.62 -0.25 2.82 4.12 0.21 -0.47 117.35 124.82 3i98 s TYR 18 Ca 0.32 1.23 -0.08 0.00 0.02 0.00 0.00 57.07 58.56 3i98 s TYR 18 Cb 0.01 -2.73 -0.03 0.00 -1.52 0.00 0.00 41.96 37.68 3i98 s TYR 18 CO 0.16 0.19 0.10 0.00 0.02 0.00 0.00 175.55 176.02 3i98 s ALA 19 N 0.41 3.27 -0.48 3.71 0.00 0.22 -4.26 121.76 124.63 3i98 s ALA 19 Ca 0.35 -1.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 3i98 s ALA 19 Cb -0.18 -2.15 0.06 0.00 0.00 0.00 0.00 23.12 20.85 3i98 s ALA 19 CO 0.18 -0.42 0.54 -1.17 0.00 0.00 0.00 175.76 174.89 3i98 s LEU 20 N 1.50 5.09 0.06 0.00 2.96 -0.14 -1.18 118.68 126.98 3i98 s LEU 20 Ca 0.06 -0.96 -0.30 0.00 -0.22 0.00 0.00 54.13 52.71 3i98 s LEU 20 Cb -0.15 -2.38 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 3i98 s LEU 20 CO 0.05 -0.78 1.10 -0.63 -1.32 0.00 0.00 176.35 174.77 3i98 s ILE 21 N 2.33 4.30 -0.17 6.68 -1.09 -0.61 -1.85 121.20 130.79 3i98 s ILE 21 Ca 0.12 1.70 0.07 0.00 -2.23 0.00 0.00 60.65 60.31 3i98 s ILE 21 Cb -0.20 -4.09 -0.15 0.00 -1.58 0.00 0.00 42.46 36.44 3i98 s ILE 21 CO 0.11 0.16 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.30 3i98 n GLU 22 N 3.62 1.00 -3.85 2.79 1.02 0.67 0.56 120.64 126.45 3i98 n GLU 22 Ca 0.07 0.06 -0.27 0.00 -0.02 0.00 0.00 57.16 56.99 3i98 n GLU 22 Cb 0.48 -1.37 -0.17 0.00 -0.02 0.00 0.00 31.44 30.36 3i98 n GLU 22 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i98 s ILE 23 N -2.36 0.90 0.44 -3.67 1.01 -0.08 -4.65 121.20 112.78 3i98 s ILE 23 Ca -0.17 -0.44 -0.23 0.00 0.00 0.00 0.00 60.65 59.81 3i98 s ILE 23 Cb 0.05 -1.09 -0.08 0.00 0.01 0.00 0.00 42.46 41.35 3i98 s ILE 23 CO 0.51 0.14 1.08 -2.84 0.00 0.00 0.00 174.94 173.84 3i98 s PRO 24 N 1.73 3.93 0.21 2.79 0.02 -1.26 -0.24 135.00 142.19 3i98 s PRO 24 Ca 0.02 1.56 -0.31 0.00 0.02 0.00 0.00 61.00 62.30 3i98 s PRO 24 Cb -0.15 -2.39 -0.15 0.00 0.02 0.00 0.00 34.50 31.84 3i98 s PRO 24 CO -0.07 -0.35 1.02 1.17 -0.33 0.00 0.00 177.00 178.43 3i98 n LYS 25 N -0.43 1.04 -0.01 5.54 4.81 -1.22 -2.29 118.16 125.60 3i98 n LYS 25 Ca 0.07 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 3i98 n LYS 25 Cb 0.50 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.79 3i98 n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i98 n GLY 26 N 1.71 0.21 3.74 3.14 0.00 -0.11 -4.87 105.19 109.01 3i98 n GLY 26 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3i98 n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i98 s SER 27 N -2.25 7.55 0.04 1.61 0.01 -0.97 -4.72 113.70 114.96 3i98 s SER 27 Ca 0.00 1.88 0.22 0.00 1.31 0.00 0.00 55.95 59.36 3i98 s SER 27 Cb 0.00 -2.60 -0.23 0.00 0.21 0.00 0.00 66.02 63.40 3i98 s SER 27 CO 0.00 0.02 0.65 -1.14 0.41 0.00 0.00 173.24 173.18 3i98 n ARG 28 N 2.22 0.64 -2.48 12.44 0.63 -1.26 -1.53 116.66 127.32 3i98 n ARG 28 Ca 0.01 -0.09 -0.42 0.00 -0.92 0.00 0.00 57.85 56.43 3i98 n ARG 28 Cb 0.48 -1.62 -0.03 0.00 0.45 0.00 0.00 32.46 31.74 3i98 n ARG 28 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3i98 s ASN 29 N -4.83 7.16 -0.34 6.15 0.01 -1.26 -2.17 114.94 119.66 3i98 s ASN 29 Ca -0.06 1.98 -0.12 0.00 -0.71 0.00 0.00 52.86 53.95 3i98 s ASN 29 Cb 0.12 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.20 3i98 s ASN 29 CO 0.87 -0.39 0.22 -0.75 -1.51 0.00 0.00 177.10 175.54 3i98 s LYS 30 N 0.75 3.29 0.14 -0.60 2.20 -0.23 -4.97 119.74 120.33 3i98 s LYS 30 Ca 0.56 -0.77 0.04 0.00 -0.36 0.00 0.00 55.97 55.43 3i98 s LYS 30 Cb -0.28 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.26 3i98 s LYS 30 CO 0.30 -0.51 0.18 0.71 -0.36 0.00 0.00 175.35 175.68 3i98 s TYR 31 N 1.66 3.29 0.02 4.03 1.51 -1.26 -0.47 117.35 126.13 3i98 s TYR 31 Ca 0.05 0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 56.11 3i98 s TYR 31 Cb -0.18 -1.59 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 3i98 s TYR 31 CO 0.09 0.52 0.09 -1.83 -1.11 0.00 0.00 175.55 173.31 3i98 s GLU 32 N -3.02 0.52 0.09 -0.62 -1.05 0.45 -4.75 118.70 110.32 3i98 s GLU 32 Ca 0.32 -0.63 -0.31 0.00 -0.15 0.00 0.00 54.97 54.21 3i98 s GLU 32 Cb -0.11 0.21 -0.07 0.00 -0.44 0.00 0.00 34.13 33.72 3i98 s GLU 32 CO 0.25 -0.12 1.35 -0.51 0.95 0.00 0.00 175.26 177.18 3i98 s LEU 33 N -1.81 4.36 -0.21 1.83 1.43 -1.26 -0.22 118.68 122.81 3i98 s LEU 33 Ca -0.09 2.23 -0.29 0.00 -1.03 0.00 0.00 54.13 54.94 3i98 s LEU 33 Cb -0.04 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 3i98 s LEU 33 CO -0.02 -0.62 1.54 -0.62 0.23 0.00 0.00 176.35 176.86 3i98 s ASP 34 N 1.20 6.51 0.00 2.29 2.15 0.49 -4.87 116.67 124.45 3i98 s ASP 34 Ca 0.63 1.64 0.11 0.00 0.43 0.00 0.00 52.55 55.37 3i98 s ASP 34 Cb -0.34 -2.53 0.68 0.00 -0.30 0.00 0.00 42.92 40.42 3i98 s ASP 34 CO 0.29 -1.14 1.38 0.29 -0.17 0.00 0.00 175.17 175.82 3i98 n LYS 35 N 7.44 0.93 -0.12 4.34 5.02 -1.26 0.66 118.16 135.16 3i98 n LYS 35 Ca 0.17 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.21 3i98 n LYS 35 Cb 0.45 -1.19 -0.11 0.00 -0.02 0.00 0.00 35.03 34.16 3i98 n LYS 35 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i98 n LYS 36 N -0.69 0.58 -0.01 1.97 4.76 -1.26 -4.73 118.16 118.77 3i98 n LYS 36 Ca 0.09 0.43 0.05 0.00 -2.87 0.00 0.00 58.31 56.01 3i98 n LYS 36 Cb 0.04 -1.63 -0.11 0.00 -1.84 0.00 0.00 35.03 31.49 3i98 n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3i98 n THR 37 N -4.34 0.13 -0.97 -0.18 -2.24 -1.14 -4.95 114.28 100.58 3i98 n THR 37 Ca -0.43 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 3i98 n THR 37 Cb 0.78 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3i98 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i98 n GLY 38 N 1.77 0.50 3.85 3.38 0.00 0.21 -4.54 105.19 110.37 3i98 n GLY 38 Ca -0.05 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3i98 n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i98 s LEU 39 N 0.00 3.46 0.29 0.99 1.43 -1.25 -4.70 118.68 118.89 3i98 s LEU 39 Ca 0.00 1.52 -0.29 0.00 -1.03 0.00 0.00 54.13 54.33 3i98 s LEU 39 Cb 0.00 -4.49 -0.10 0.00 0.03 0.00 0.00 46.19 41.63 3i98 s LEU 39 CO 0.00 -0.73 1.30 -0.22 0.23 0.00 0.00 176.35 176.92 3i98 s LEU 40 N -4.54 4.43 -0.01 1.79 2.96 -1.26 -0.38 118.68 121.68 3i98 s LEU 40 Ca 0.58 2.58 0.02 0.00 -0.22 0.00 0.00 54.13 57.08 3i98 s LEU 40 Cb -0.11 -3.64 -0.00 0.00 0.50 0.00 0.00 46.19 42.95 3i98 s LEU 40 CO 0.41 -0.51 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.12 3i98 s LYS 41 N -1.24 0.55 -0.24 1.98 2.20 0.70 -4.82 119.74 118.87 3i98 s LYS 41 Ca 0.51 -0.22 -0.29 0.00 -0.36 0.00 0.00 55.97 55.61 3i98 s LYS 41 Cb -0.38 -0.53 -0.01 0.00 -1.51 0.00 0.00 37.83 35.39 3i98 s LYS 41 CO 0.47 0.12 1.41 -1.17 -0.36 0.00 0.00 175.35 175.82 3i98 s LEU 42 N -0.06 3.96 -0.07 5.43 2.96 -1.26 -0.41 118.68 129.23 3i98 s LEU 42 Ca 0.01 1.48 -0.05 0.00 -0.22 0.00 0.00 54.13 55.35 3i98 s LEU 42 Cb -0.04 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 3i98 s LEU 42 CO -0.00 -1.07 0.22 -0.78 -1.32 0.00 0.00 176.35 173.40 3i98 h ASP 43 N 9.54 -0.16 -5.06 3.68 1.82 -1.09 -3.47 116.42 121.68 3i98 h ASP 43 Ca -0.29 0.01 0.12 0.00 -0.39 0.00 0.00 57.03 56.47 3i98 h ASP 43 Cb 1.12 0.04 -0.10 0.00 0.68 0.00 0.00 39.33 41.07 3i98 h ASP 43 CO 1.01 0.30 0.41 0.00 -1.61 0.00 0.00 179.24 179.35 3i98 s ARG 44 N -2.14 1.21 -0.14 0.28 1.70 -1.11 -5.04 118.95 113.70 3i98 s ARG 44 Ca -0.03 -0.60 -0.19 0.00 -0.47 0.00 0.00 55.73 54.44 3i98 s ARG 44 Cb 0.00 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 3i98 s ARG 44 CO 0.08 -0.55 0.54 0.08 -1.08 0.00 0.00 175.30 174.37 3i98 s VAL 45 N -3.41 5.13 0.31 4.99 1.01 -1.26 -1.06 120.40 126.11 3i98 s VAL 45 Ca 0.09 1.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.82 3i98 s VAL 45 Cb -0.02 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.37 3i98 s VAL 45 CO -0.02 0.25 1.35 0.18 0.00 0.00 0.00 175.10 176.86 3i98 n LEU 46 N 4.18 3.50 0.12 3.92 4.77 -0.92 -4.85 117.00 127.72 3i98 n LEU 46 Ca -0.05 1.19 0.12 0.00 -0.03 0.00 0.00 56.01 57.24 3i98 n LEU 46 Cb 0.51 -1.48 0.47 0.00 -2.33 0.00 0.00 43.42 40.59 3i98 n LEU 46 CO 0.43 -0.43 0.87 -1.22 -1.33 0.00 0.00 177.39 175.71 3i98 n TYR 47 N 0.91 0.85 -4.45 -1.77 0.53 -1.26 -4.73 117.16 107.24 3i98 n TYR 47 Ca 0.07 0.31 -0.25 0.00 -1.02 0.00 0.00 57.90 57.01 3i98 n TYR 47 Cb 0.35 -1.00 -0.11 0.00 -1.03 0.00 0.00 39.34 37.55 3i98 n TYR 47 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 3i98 s SER 48 N -4.33 3.49 -1.52 7.72 0.01 -1.26 -5.03 113.70 112.77 3i98 s SER 48 Ca 0.06 -0.96 -0.11 0.00 1.31 0.00 0.00 55.95 56.25 3i98 s SER 48 Cb 0.10 -0.28 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 3i98 s SER 48 CO 0.45 0.07 2.71 -0.81 0.41 0.00 0.00 173.24 176.07 3i98 n PRO 49 N -0.25 3.35 -4.26 12.44 -0.05 -1.26 -4.86 135.00 140.11 3i98 n PRO 49 Ca -0.08 -2.24 -0.27 0.00 -0.05 0.00 0.00 63.50 60.85 3i98 n PRO 49 Cb 0.58 -2.90 -0.09 0.00 -0.05 0.00 0.00 33.50 31.04 3i98 n PRO 49 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 3i98 s PHE 50 N 2.56 2.69 0.08 0.54 0.08 -1.26 -5.14 117.98 117.54 3i98 s PHE 50 Ca 0.62 -0.19 0.09 0.00 0.12 0.00 0.00 56.93 57.56 3i98 s PHE 50 Cb 0.16 -1.33 -0.03 0.00 -0.57 0.00 0.00 43.02 41.25 3i98 s PHE 50 CO -0.06 0.49 -0.23 -0.59 -0.10 0.00 0.00 175.22 174.74 3i98 s PHE 51 N -1.61 1.96 0.06 0.36 -0.12 -1.26 -4.46 117.98 112.92 3i98 s PHE 51 Ca 0.25 -0.40 -0.33 0.00 -0.05 0.00 0.00 56.93 56.40 3i98 s PHE 51 Cb -0.09 -1.12 -0.12 0.00 -0.63 0.00 0.00 43.02 41.06 3i98 s PHE 51 CO 0.15 0.18 1.79 0.66 -0.05 0.00 0.00 175.22 177.95 3i98 n TYR 52 N 1.39 2.42 1.50 3.49 4.02 -0.59 -4.79 117.16 124.61 3i98 n TYR 52 Ca -0.18 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.86 3i98 n TYR 52 Cb 0.53 -2.66 0.61 0.00 -0.02 0.00 0.00 39.34 37.80 3i98 n TYR 52 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3i98 n PRO 53 N 5.43 0.98 -3.96 -0.72 -0.04 -1.26 -0.93 135.00 134.50 3i98 n PRO 53 Ca 0.19 -0.40 -0.08 0.00 -0.04 0.00 0.00 63.50 63.17 3i98 n PRO 53 Cb 0.32 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 3i98 n PRO 53 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i98 s VAL 54 N -2.29 0.16 0.25 0.52 -7.23 -1.26 -4.92 120.40 105.62 3i98 s VAL 54 Ca 0.33 -1.45 -0.30 0.00 -1.81 0.00 0.00 61.98 58.75 3i98 s VAL 54 Cb 0.20 -1.49 -0.10 0.00 0.56 0.00 0.00 36.38 35.56 3i98 s VAL 54 CO 0.43 -0.72 1.39 -1.81 -0.31 0.00 0.00 175.10 174.08 3i98 s ASP 55 N -2.90 6.73 -0.05 4.85 -0.00 -0.88 -3.45 116.67 120.96 3i98 s ASP 55 Ca 0.08 2.61 0.04 0.00 -0.00 0.00 0.00 52.55 55.27 3i98 s ASP 55 Cb 0.06 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.36 3i98 s ASP 55 CO -0.09 -0.64 -0.16 -0.47 -0.00 0.00 0.00 175.17 173.82 3i98 s TYR 56 N -0.15 1.64 0.00 4.23 5.04 0.67 -0.93 117.35 127.85 3i98 s TYR 56 Ca 0.57 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.69 3i98 s TYR 56 Cb -0.40 -1.13 0.00 0.00 0.35 0.00 0.00 41.96 40.78 3i98 s TYR 56 CO 0.43 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.85 3i98 n GLY 57 N 3.35 3.04 3.14 8.97 0.00 -0.02 -0.23 105.19 123.43 3i98 n GLY 57 Ca -0.19 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 3i98 n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i98 s ILE 58 N -1.38 0.66 -0.18 -0.61 -4.36 -0.77 -0.86 121.20 113.69 3i98 s ILE 58 Ca 0.00 -1.72 -0.18 0.00 -0.26 0.00 0.00 60.65 58.49 3i98 s ILE 58 Cb 0.00 -1.41 -0.04 0.00 1.25 0.00 0.00 42.46 42.26 3i98 s ILE 58 CO 0.00 -0.75 0.49 -0.63 0.24 0.00 0.00 174.94 174.30 3i98 s ILE 59 N -3.05 5.14 0.68 8.37 1.01 -0.62 -0.96 121.20 131.76 3i98 s ILE 59 Ca 0.06 0.92 -0.16 0.00 0.00 0.00 0.00 60.65 61.48 3i98 s ILE 59 Cb 0.01 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.67 3i98 s ILE 59 CO -0.03 0.22 1.20 -2.84 0.00 0.00 0.00 174.94 173.48 3i98 s PRO 60 N 1.36 2.46 -1.42 2.79 0.02 -1.26 -3.28 135.00 135.66 3i98 s PRO 60 Ca 0.24 1.74 -0.09 0.00 0.02 0.00 0.00 61.00 62.91 3i98 s PRO 60 Cb -0.15 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.54 3i98 s PRO 60 CO 0.10 -1.59 0.99 1.04 -0.33 0.00 0.00 177.00 177.21 3i98 n GLN 61 N -2.36 -6.18 -4.30 5.54 6.02 -0.73 -3.74 117.38 111.63 3i98 n GLN 61 Ca 0.13 0.68 -0.18 0.00 -0.01 0.00 0.00 57.00 57.63 3i98 n GLN 61 Cb 0.50 -5.57 -0.10 0.00 1.02 0.00 0.00 30.24 26.09 3i98 n GLN 61 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3i98 s THR 62 N -3.37 1.53 -0.03 5.09 -4.23 -1.21 -4.54 115.64 108.88 3i98 s THR 62 Ca 0.48 -2.05 -0.06 0.00 -1.18 0.00 0.00 61.69 58.88 3i98 s THR 62 Cb -0.23 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 71.74 3i98 s THR 62 CO 0.79 -0.57 0.13 0.86 -0.54 0.00 0.00 174.62 175.29 3i98 s TRP 63 N -2.82 -0.06 0.32 3.99 -0.11 -0.71 -4.25 118.94 115.30 3i98 s TRP 63 Ca 0.18 0.15 0.04 0.00 1.22 0.00 0.00 56.10 57.68 3i98 s TRP 63 Cb -0.01 0.00 -0.06 0.00 -1.50 0.00 0.00 33.47 31.90 3i98 s TRP 63 CO 0.05 -0.16 0.05 -0.47 -4.62 0.00 0.00 176.95 171.80 3i98 s TYR 64 N -0.54 1.98 0.59 5.86 5.04 -0.22 -4.38 117.35 125.68 3i98 s TYR 64 Ca -0.06 -0.94 0.29 0.00 -2.44 0.00 0.00 57.07 53.91 3i98 s TYR 64 Cb -0.04 -1.29 1.52 0.00 0.35 0.00 0.00 41.96 42.50 3i98 s TYR 64 CO 0.01 0.03 1.95 -0.44 -1.34 0.00 0.00 175.55 175.75 3i98 h ASP 65 N 2.11 0.00 -0.29 4.32 5.19 -1.87 0.76 116.42 126.65 3i98 h ASP 65 Ca -0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 3i98 h ASP 65 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 3i98 h ASP 65 CO 0.70 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.92 3i98 n ASP 66 N -3.76 1.59 -1.70 6.45 5.75 -1.25 -4.84 116.55 118.79 3i98 n ASP 66 Ca 0.07 -1.98 -0.10 0.00 -0.01 0.00 0.00 54.79 52.76 3i98 n ASP 66 Cb 0.58 -0.19 0.03 0.00 -1.03 0.00 0.00 41.12 40.50 3i98 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i98 n GLY 67 N 0.98 0.22 3.39 6.12 0.00 0.26 -5.04 105.19 111.12 3i98 n GLY 67 Ca 0.10 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 3i98 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i98 s ASP 68 N -3.02 0.02 0.84 1.61 1.01 -1.25 -4.96 116.67 110.91 3i98 s ASP 68 Ca 0.20 -0.94 -0.12 0.00 0.71 0.00 0.00 52.55 52.40 3i98 s ASP 68 Cb -0.09 0.47 0.10 0.00 1.01 0.00 0.00 42.92 44.41 3i98 s ASP 68 CO 0.25 -0.95 1.18 -2.84 0.21 0.00 0.00 175.17 173.03 3i98 s PRO 69 N -4.00 1.45 -0.04 8.23 0.02 -1.26 -1.05 135.00 138.34 3i98 s PRO 69 Ca 0.21 1.68 -0.30 0.00 0.02 0.00 0.00 61.00 62.61 3i98 s PRO 69 Cb 0.03 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.75 3i98 s PRO 69 CO 0.04 -2.34 1.26 0.12 -0.33 0.00 0.00 177.00 175.74 3i98 s PHE 70 N -2.32 3.10 0.46 6.54 5.99 -1.26 -4.71 117.98 125.78 3i98 s PHE 70 Ca 0.71 1.10 -0.21 0.00 0.00 0.00 0.00 56.93 58.53 3i98 s PHE 70 Cb -0.27 -3.49 -0.09 0.00 0.00 0.00 0.00 43.02 39.18 3i98 s PHE 70 CO 0.53 -1.63 1.03 -0.51 -0.00 0.00 0.00 175.22 174.64 3i98 s ASP 71 N 1.59 6.48 -0.00 6.13 -0.00 -1.26 -1.59 116.67 128.01 3i98 s ASP 71 Ca 0.58 1.94 0.00 0.00 -0.00 0.00 0.00 52.55 55.07 3i98 s ASP 71 Cb -0.27 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.09 3i98 s ASP 71 CO 0.23 -0.69 -0.00 -0.51 -0.00 0.00 0.00 175.17 174.20 3i98 s ILE 72 N -1.92 0.01 -0.17 0.77 2.07 -0.04 -1.87 121.20 120.05 3i98 s ILE 72 Ca 0.65 -0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.88 3i98 s ILE 72 Cb -0.17 -0.02 0.00 0.00 0.13 0.00 0.00 42.46 42.40 3i98 s ILE 72 CO 0.21 0.00 -0.15 -0.04 -1.91 0.00 0.00 174.94 173.06 3i98 s MET 73 N 0.01 3.19 -0.13 3.50 -1.94 0.68 -0.84 119.30 123.76 3i98 s MET 73 Ca -0.00 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.23 3i98 s MET 73 Cb -0.00 -2.66 -0.01 0.00 2.01 0.00 0.00 34.83 34.17 3i98 s MET 73 CO -0.00 -0.05 -0.15 0.08 -0.01 0.00 0.00 175.02 174.89 3i98 s VAL 74 N 0.97 2.84 -0.48 -6.03 1.01 -0.11 -0.65 120.40 117.95 3i98 s VAL 74 Ca -0.02 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 3i98 s VAL 74 Cb -0.15 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.08 3i98 s VAL 74 CO -0.03 0.52 1.02 -0.63 0.00 0.00 0.00 175.10 175.99 3i98 s ILE 75 N 0.48 4.34 -0.03 2.22 1.01 -0.55 -2.07 121.20 126.60 3i98 s ILE 75 Ca -0.10 0.92 0.05 0.00 0.00 0.00 0.00 60.65 61.52 3i98 s ILE 75 Cb -0.16 -4.53 -0.02 0.00 0.01 0.00 0.00 42.46 37.76 3i98 s ILE 75 CO 0.05 -0.95 -0.18 -0.04 0.00 0.00 0.00 174.94 173.81 3i98 s MET 76 N 4.11 2.33 0.04 2.79 -1.94 -1.26 -4.29 119.30 121.08 3i98 s MET 76 Ca 0.41 -0.80 -0.18 0.00 -1.71 0.00 0.00 55.69 53.41 3i98 s MET 76 Cb -0.09 -2.25 -0.18 0.00 2.01 0.00 0.00 34.83 34.32 3i98 s MET 76 CO 0.28 0.59 1.23 0.00 -0.01 0.00 0.00 175.02 177.11 3i98 h ARG 77 N 5.29 0.50 -5.12 2.03 3.08 -2.02 -3.42 114.38 114.73 3i98 h ARG 77 Ca -0.46 -0.41 -0.66 0.00 0.07 0.00 0.00 59.98 58.53 3i98 h ARG 77 Cb 1.14 0.08 -0.28 0.00 0.08 0.00 0.00 29.97 31.00 3i98 h ARG 77 CO 0.49 1.04 -0.75 -2.00 -1.07 0.00 0.00 179.97 177.68 3i98 s GLU 78 N -3.68 3.36 0.62 0.04 2.12 -1.26 -5.11 118.70 114.79 3i98 s GLU 78 Ca -0.13 -0.66 -0.18 0.00 0.36 0.00 0.00 54.97 54.37 3i98 s GLU 78 Cb 0.05 -2.84 -0.02 0.00 0.26 0.00 0.00 34.13 31.58 3i98 s GLU 78 CO 0.82 -0.05 1.22 -2.14 -0.54 0.00 0.00 175.26 174.57 3i98 s PRO 79 N 1.04 2.78 0.51 4.30 0.02 -1.26 -5.04 135.00 137.36 3i98 s PRO 79 Ca -0.00 1.83 0.02 0.00 0.02 0.00 0.00 61.00 62.87 3i98 s PRO 79 Cb -0.15 -1.90 0.10 0.00 0.02 0.00 0.00 34.50 32.57 3i98 s PRO 79 CO -0.01 -1.36 0.70 1.33 -0.33 0.00 0.00 177.00 177.33 3i98 n VAL 80 N -1.84 0.00 -3.27 3.83 0.24 -1.26 -5.02 118.33 111.01 3i98 n VAL 80 Ca 0.14 -1.25 -0.28 0.00 -2.04 0.00 0.00 64.34 60.90 3i98 n VAL 80 Cb 0.50 -0.91 -0.03 0.00 -1.47 0.00 0.00 33.84 31.93 3i98 n VAL 80 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3i98 s TYR 81 N -2.09 3.48 0.56 6.34 1.51 -1.26 -4.62 117.35 121.27 3i98 s TYR 81 Ca 0.48 0.66 -0.21 0.00 -1.01 0.00 0.00 57.07 57.00 3i98 s TYR 81 Cb -0.03 -2.12 -0.05 0.00 -0.11 0.00 0.00 41.96 39.65 3i98 s TYR 81 CO 0.32 0.13 1.25 -2.30 -1.11 0.00 0.00 175.55 173.84 3i98 n PRO 82 N -1.08 1.45 -1.09 -1.71 -0.02 -1.26 -2.45 135.00 128.84 3i98 n PRO 82 Ca -0.01 0.54 -0.03 0.00 -2.02 0.00 0.00 63.50 61.97 3i98 n PRO 82 Cb 0.54 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 3i98 n PRO 82 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i98 n LEU 83 N -0.95 -0.08 -4.80 2.45 4.77 0.19 -5.00 117.00 113.58 3i98 n LEU 83 Ca 0.12 0.07 -0.39 0.00 -0.03 0.00 0.00 56.01 55.78 3i98 n LEU 83 Cb 0.45 -1.11 -0.06 0.00 -2.33 0.00 0.00 43.42 40.37 3i98 n LEU 83 CO 0.52 -0.29 0.37 -0.89 -1.33 0.00 0.00 177.39 175.76 3i98 s THR 84 N -1.98 4.57 -0.14 -5.08 2.01 -1.02 -4.82 115.64 109.18 3i98 s THR 84 Ca 0.00 1.42 -0.17 0.00 0.31 0.00 0.00 61.69 63.25 3i98 s THR 84 Cb 0.00 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 3i98 s THR 84 CO 0.00 0.52 0.43 -0.63 -0.69 0.00 0.00 174.62 174.25 3i98 s ILE 85 N -1.15 5.21 -0.09 1.82 1.01 -1.26 -1.57 121.20 125.17 3i98 s ILE 85 Ca 0.33 0.84 0.04 0.00 0.00 0.00 0.00 60.65 61.85 3i98 s ILE 85 Cb -0.21 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.50 3i98 s ILE 85 CO 0.22 0.32 -0.22 -0.63 0.00 0.00 0.00 174.94 174.63 3i98 s ILE 86 N 0.72 1.92 -0.17 2.92 1.01 -0.32 -4.96 121.20 122.32 3i98 s ILE 86 Ca 0.23 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 3i98 s ILE 86 Cb -0.15 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 3i98 s ILE 86 CO 0.08 0.53 1.32 -1.61 0.00 0.00 0.00 174.94 175.26 3i98 s GLU 87 N 0.35 4.17 0.00 2.79 2.02 -1.26 -0.61 118.70 126.17 3i98 s GLU 87 Ca -0.17 1.66 0.05 0.00 0.02 0.00 0.00 54.97 56.53 3i98 s GLU 87 Cb -0.17 -3.81 -0.01 0.00 0.10 0.00 0.00 34.13 30.23 3i98 s GLU 87 CO 0.08 -0.79 -0.16 0.00 0.02 0.00 0.00 175.26 174.41 3i98 s ALA 88 N 3.72 1.31 -0.30 5.21 0.00 0.39 -1.59 121.76 130.50 3i98 s ALA 88 Ca 0.57 -0.73 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 3i98 s ALA 88 Cb -0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 3i98 s ALA 88 CO 0.18 0.31 0.15 1.03 0.00 0.00 0.00 175.76 177.43 3i98 s ARG 89 N -0.58 3.53 0.24 0.00 0.52 0.38 -1.09 118.95 121.95 3i98 s ARG 89 Ca 0.05 -0.59 -0.31 0.00 -0.52 0.00 0.00 55.73 54.37 3i98 s ARG 89 Cb -0.07 -3.57 -0.11 0.00 0.52 0.00 0.00 34.95 31.73 3i98 s ARG 89 CO -0.00 -0.33 1.56 -2.14 0.02 0.00 0.00 175.30 174.40 3i98 s PRO 90 N 1.66 4.19 0.00 3.54 0.02 -1.26 -2.00 135.00 141.14 3i98 s PRO 90 Ca 0.06 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3i98 s PRO 90 Cb -0.17 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3i98 s PRO 90 CO 0.07 -0.57 0.29 0.44 -0.33 0.00 0.00 177.00 176.90 3i98 n ILE 91 N 2.84 0.00 -0.87 2.83 -5.35 0.19 -4.87 119.36 114.13 3i98 n ILE 91 Ca 0.10 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 3i98 n ILE 91 Cb 0.38 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 3i98 n ILE 91 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i98 n GLY 92 N 0.19 -1.59 3.19 3.28 0.00 -1.09 -0.91 105.19 108.26 3i98 n GLY 92 Ca 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 3i98 n GLY 92 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i98 s ILE 93 N -2.26 -0.02 -0.23 -0.61 2.07 -0.78 -0.67 121.20 118.70 3i98 s ILE 93 Ca 0.00 0.07 -0.17 0.00 -1.41 0.00 0.00 60.65 59.15 3i98 s ILE 93 Cb 0.00 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 42.07 3i98 s ILE 93 CO 0.00 0.03 0.45 -0.32 -1.91 0.00 0.00 174.94 173.19 3i98 s MET 94 N 0.88 4.12 -0.28 3.50 -2.45 0.15 -0.24 119.30 124.98 3i98 s MET 94 Ca -0.06 0.24 -0.15 0.00 -1.25 0.00 0.00 55.69 54.47 3i98 s MET 94 Cb -0.07 -3.59 -0.03 0.00 1.25 0.00 0.00 34.83 32.39 3i98 s MET 94 CO -0.06 -0.18 0.39 0.15 1.05 0.00 0.00 175.02 176.37 3i98 s LYS 95 N 1.76 3.95 0.05 4.11 1.02 0.13 -1.58 119.74 129.18 3i98 s LYS 95 Ca 0.20 0.01 -0.16 0.00 0.02 0.00 0.00 55.97 56.04 3i98 s LYS 95 Cb -0.15 -3.68 0.03 0.00 -0.52 0.00 0.00 37.83 33.51 3i98 s LYS 95 CO 0.09 -0.33 0.36 0.00 -0.92 0.00 0.00 175.35 174.55 3i98 s MET 96 N 2.11 0.88 -0.05 1.68 0.23 -1.26 -0.26 119.30 122.63 3i98 s MET 96 Ca 0.15 -0.46 0.03 0.00 -1.03 0.00 0.00 55.69 54.39 3i98 s MET 96 Cb -0.16 0.39 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 3i98 s MET 96 CO 0.10 -0.30 -0.13 -1.21 -2.03 0.00 0.00 175.02 171.45 3i98 s GLU 97 N -2.62 2.51 -0.19 3.16 8.01 0.12 -1.50 118.70 128.20 3i98 s GLU 97 Ca -0.04 -0.69 -0.00 0.00 0.01 0.00 0.00 54.97 54.24 3i98 s GLU 97 Cb -0.01 -2.39 0.05 0.00 -4.31 0.00 0.00 34.13 27.47 3i98 s GLU 97 CO -0.04 0.62 -0.05 0.34 0.01 0.00 0.00 175.26 176.15 3i98 s ASP 98 N -0.79 3.17 -1.53 -0.19 -1.08 -0.41 -0.71 116.67 115.14 3i98 s ASP 98 Ca 0.12 -0.84 -0.14 0.00 -0.52 0.00 0.00 52.55 51.17 3i98 s ASP 98 Cb -0.11 -1.00 0.08 0.00 -1.46 0.00 0.00 42.92 40.44 3i98 s ASP 98 CO 0.01 -0.20 1.00 -1.20 0.52 0.00 0.00 175.17 175.30 3i98 n SER 99 N 4.81 -4.94 0.00 -0.34 7.64 -1.10 -1.63 113.62 118.07 3i98 n SER 99 Ca -0.12 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 58.99 3i98 n SER 99 Cb 0.47 -3.95 0.00 0.00 -1.01 0.00 0.00 64.21 59.71 3i98 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i98 n GLY 100 N -1.72 1.46 3.89 0.23 0.00 -1.26 -5.03 105.19 102.77 3i98 n GLY 100 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3i98 n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i98 s ASP 101 N -3.22 6.45 -0.52 1.61 1.01 -0.64 -5.04 116.67 116.31 3i98 s ASP 101 Ca 0.00 0.50 -0.28 0.00 0.71 0.00 0.00 52.55 53.48 3i98 s ASP 101 Cb 0.00 -2.07 0.01 0.00 1.01 0.00 0.00 42.92 41.87 3i98 s ASP 101 CO 0.00 0.29 1.51 -0.75 0.21 0.00 0.00 175.17 176.43 3i98 s LYS 102 N -1.65 3.26 -0.51 8.23 2.20 -1.26 -1.29 119.74 128.71 3i98 s LYS 102 Ca 0.25 0.64 0.04 0.00 -0.36 0.00 0.00 55.97 56.55 3i98 s LYS 102 Cb -0.13 -4.15 0.40 0.00 -1.51 0.00 0.00 37.83 32.44 3i98 s LYS 102 CO 0.14 -1.98 1.17 -3.47 -0.36 0.00 0.00 175.35 170.85 3i98 n ASP 103 N 9.95 4.94 -4.78 1.43 2.03 -0.56 -3.84 116.55 125.72 3i98 n ASP 103 Ca 0.15 -3.72 -0.34 0.00 0.52 0.00 0.00 54.79 51.40 3i98 n ASP 103 Cb 0.49 -0.54 0.02 0.00 -0.72 0.00 0.00 41.12 40.37 3i98 n ASP 103 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3i98 s TRP 104 N -3.59 2.76 -0.03 -0.67 0.52 -1.25 -4.45 118.94 112.22 3i98 s TRP 104 Ca 0.48 1.54 0.01 0.00 0.02 0.00 0.00 56.10 58.15 3i98 s TRP 104 Cb 0.38 -3.15 0.02 0.00 -1.15 0.00 0.00 33.47 29.57 3i98 s TRP 104 CO -0.20 -1.43 -0.02 0.15 0.02 0.00 0.00 176.95 175.47 3i98 s LYS 105 N -3.79 0.53 0.24 4.98 1.02 -0.61 -4.41 119.74 117.70 3i98 s LYS 105 Ca 0.68 -0.01 -0.30 0.00 0.02 0.00 0.00 55.97 56.36 3i98 s LYS 105 Cb -0.20 -0.63 -0.09 0.00 -0.52 0.00 0.00 37.83 36.39 3i98 s LYS 105 CO 0.34 -0.11 1.21 0.08 -0.92 0.00 0.00 175.35 175.96 3i98 s VAL 106 N 0.94 3.32 -0.15 3.17 1.01 -0.78 -0.68 120.40 127.23 3i98 s VAL 106 Ca -0.11 1.20 -0.06 0.00 0.00 0.00 0.00 61.98 63.01 3i98 s VAL 106 Cb -0.14 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3i98 s VAL 106 CO -0.01 0.23 0.04 -0.22 0.00 0.00 0.00 175.10 175.14 3i98 s LEU 107 N -0.84 3.71 0.12 3.92 2.96 0.16 -0.23 118.68 128.47 3i98 s LEU 107 Ca 0.50 0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 54.43 3i98 s LEU 107 Cb -0.34 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 3i98 s LEU 107 CO 0.41 0.23 0.19 0.00 -1.32 0.00 0.00 176.35 175.87 3i98 s ALA 108 N -0.01 0.02 0.17 5.97 0.00 0.17 -0.63 121.76 127.46 3i98 s ALA 108 Ca 0.05 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.26 3i98 s ALA 108 Cb -0.12 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 3i98 s ALA 108 CO 0.01 -0.54 -0.21 0.14 0.00 0.00 0.00 175.76 175.16 3i98 s VAL 109 N -3.92 2.01 0.19 0.00 -7.23 -0.85 -1.48 120.40 109.13 3i98 s VAL 109 Ca 0.11 -1.92 -0.30 0.00 -1.81 0.00 0.00 61.98 58.06 3i98 s VAL 109 Cb 0.05 -1.92 -0.08 0.00 0.56 0.00 0.00 36.38 34.99 3i98 s VAL 109 CO -0.06 -0.21 1.15 -2.16 -0.31 0.00 0.00 175.10 173.51 3i98 s PRO 110 N -2.65 4.54 0.35 4.82 0.04 -1.26 -0.47 135.00 140.37 3i98 s PRO 110 Ca 0.17 1.81 0.03 0.00 0.04 0.00 0.00 61.00 63.05 3i98 s PRO 110 Cb -0.07 -3.25 0.65 0.00 0.04 0.00 0.00 34.50 31.87 3i98 s PRO 110 CO 0.08 -0.01 2.01 0.28 0.04 0.00 0.00 177.00 179.39 3i98 h VAL 111 N 3.69 1.16 -0.87 -0.36 2.07 -1.64 -3.25 116.25 117.06 3i98 h VAL 111 Ca -0.45 -0.32 -0.40 0.00 0.82 0.00 0.00 66.70 66.36 3i98 h VAL 111 Cb 1.21 0.29 -0.24 0.00 -1.52 0.00 0.00 31.29 31.03 3i98 h VAL 111 CO 0.73 0.16 0.48 -0.62 0.02 0.00 0.00 177.57 178.34 3i98 n GLU 112 N -4.43 2.72 -4.03 1.57 -0.58 -1.26 -4.70 120.64 109.93 3i98 n GLU 112 Ca 0.06 -3.05 -0.31 0.00 -0.42 0.00 0.00 57.16 53.43 3i98 n GLU 112 Cb 0.05 -2.17 -0.15 0.00 -0.57 0.00 0.00 31.44 28.60 3i98 n GLU 112 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3i98 s ASP 113 N -1.30 4.29 0.43 1.62 -1.08 -1.23 -5.00 116.67 114.40 3i98 s ASP 113 Ca 0.56 -1.35 0.29 0.00 -0.52 0.00 0.00 52.55 51.53 3i98 s ASP 113 Cb 0.46 -1.45 1.48 0.00 -1.46 0.00 0.00 42.92 41.96 3i98 s ASP 113 CO 0.11 -0.21 1.90 1.55 0.52 0.00 0.00 175.17 179.04 3i98 h PRO 114 N 7.82 0.00 -0.88 4.34 0.13 -1.89 -2.27 132.00 139.24 3i98 h PRO 114 Ca -0.18 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.10 3i98 h PRO 114 Cb 1.05 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.11 3i98 h PRO 114 CO 0.45 0.00 0.57 -0.92 -0.23 0.00 0.00 178.00 177.87 3i98 h TYR 115 N 0.00 0.77 -0.64 1.56 5.03 -1.95 -1.97 116.97 119.76 3i98 h TYR 115 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 3i98 h TYR 115 Cb 0.14 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.18 3i98 h TYR 115 CO 0.00 0.27 0.00 1.19 -1.32 0.00 0.00 178.16 178.30 3i98 n PHE 116 N -4.56 1.40 -0.20 -3.82 3.01 -0.85 -4.59 117.46 107.85 3i98 n PHE 116 Ca 0.18 -0.57 0.15 0.00 1.01 0.00 0.00 57.45 58.22 3i98 n PHE 116 Cb 0.50 -0.21 0.48 0.00 -0.01 0.00 0.00 39.48 40.24 3i98 n PHE 116 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3i98 h ASN 117 N 4.02 0.44 -0.45 4.37 2.35 -1.49 -0.37 115.58 124.45 3i98 h ASN 117 Ca 0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3i98 h ASN 117 Cb 1.36 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.67 3i98 h ASN 117 CO 0.20 0.22 0.00 0.47 -1.65 0.00 0.00 177.43 176.67 3i98 n ASP 118 N -4.50 2.99 -4.56 5.81 8.00 -1.26 -4.80 116.55 118.22 3i98 n ASP 118 Ca 0.16 -1.95 -0.42 0.00 0.71 0.00 0.00 54.79 53.28 3i98 n ASP 118 Cb 0.54 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 41.29 3i98 n ASP 118 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3i98 s TRP 119 N -1.40 3.07 0.00 1.24 0.52 -0.15 -4.83 118.94 117.38 3i98 s TRP 119 Ca 0.38 0.32 0.00 0.00 0.02 0.00 0.00 56.10 56.81 3i98 s TRP 119 Cb 0.21 -3.44 0.00 0.00 -1.15 0.00 0.00 33.47 29.09 3i98 s TRP 119 CO 0.28 -0.81 0.00 1.63 0.02 0.00 0.00 176.95 178.07 3i98 n LYS 120 N 6.43 3.25 -4.02 4.98 5.02 -1.26 -4.99 118.16 127.58 3i98 n LYS 120 Ca 0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 3i98 n LYS 120 Cb 0.48 -0.52 -0.06 0.00 -0.02 0.00 0.00 35.03 34.92 3i98 n LYS 120 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i98 s ASP 121 N -0.79 -0.04 0.53 4.39 -1.08 -1.26 -4.70 116.67 113.73 3i98 s ASP 121 Ca 0.00 -0.98 0.20 0.00 -0.52 0.00 0.00 52.55 51.24 3i98 s ASP 121 Cb 0.00 0.58 1.38 0.00 -1.46 0.00 0.00 42.92 43.42 3i98 s ASP 121 CO 0.00 -1.13 2.14 -0.29 0.52 0.00 0.00 175.17 176.41 3i98 h ILE 122 N 2.27 0.87 0.00 4.11 6.09 -1.34 -1.34 117.51 128.18 3i98 h ILE 122 Ca -0.27 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 3i98 h ILE 122 Cb 1.25 0.95 0.00 0.00 0.47 0.00 0.00 36.82 39.49 3i98 h ILE 122 CO 0.37 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 173.91 3i98 n SER 123 N -4.39 0.06 -0.01 2.19 3.41 -1.26 -2.56 113.62 111.06 3i98 n SER 123 Ca -0.01 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 3i98 n SER 123 Cb 0.17 -0.53 0.44 0.00 -0.26 0.00 0.00 64.21 64.04 3i98 n SER 123 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i98 n ASP 124 N -1.57 0.29 -4.74 4.04 8.00 -0.51 -4.85 116.55 117.22 3i98 n ASP 124 Ca 0.04 0.04 -0.38 0.00 0.71 0.00 0.00 54.79 55.19 3i98 n ASP 124 Cb 0.20 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 3i98 n ASP 124 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i98 s VAL 125 N -2.95 5.08 0.21 2.53 1.01 -1.06 -4.98 120.40 120.24 3i98 s VAL 125 Ca 0.14 1.12 -0.32 0.00 0.00 0.00 0.00 61.98 62.92 3i98 s VAL 125 Cb 0.18 -3.88 -0.14 0.00 0.00 0.00 0.00 36.38 32.54 3i98 s VAL 125 CO 0.60 0.35 1.29 -2.65 0.00 0.00 0.00 175.10 174.70 3i98 n PRO 126 N 3.32 1.64 -0.18 2.72 -0.02 -1.26 -4.86 135.00 136.37 3i98 n PRO 126 Ca -0.06 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3i98 n PRO 126 Cb 0.51 -2.17 0.25 0.00 -0.02 0.00 0.00 33.50 32.08 3i98 n PRO 126 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3i98 h LYS 127 N 3.82 0.91 -0.23 -0.52 3.64 -1.95 -1.48 116.57 120.76 3i98 h LYS 127 Ca -0.44 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3i98 h LYS 127 Cb 1.31 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 3i98 h LYS 127 CO 0.73 0.64 0.13 0.00 -2.27 0.00 0.00 179.45 178.68 3i98 h ALA 128 N 1.52 1.79 -0.15 5.00 0.00 -1.99 -1.14 119.26 124.28 3i98 h ALA 128 Ca 0.24 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3i98 h ALA 128 Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3i98 h ALA 128 CO -0.05 0.18 -0.38 0.35 0.00 0.00 0.00 179.25 179.36 3i98 h PHE 129 N 0.32 0.67 -0.88 0.00 3.57 -1.63 -1.30 116.94 117.68 3i98 h PHE 129 Ca 0.08 -0.26 0.03 0.00 3.53 0.00 0.00 57.97 61.35 3i98 h PHE 129 Cb 0.01 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.58 3i98 h PHE 129 CO 0.00 1.00 0.58 -0.07 -2.23 0.00 0.00 178.31 177.59 3i98 h LEU 130 N 0.16 0.97 -1.01 0.59 3.38 -1.23 -2.08 115.31 116.07 3i98 h LEU 130 Ca -0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3i98 h LEU 130 Cb 0.98 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 3i98 h LEU 130 CO 0.08 0.68 0.40 0.44 0.09 0.00 0.00 178.44 180.12 3i98 h ASP 131 N 1.14 0.98 -0.12 -0.43 3.32 -1.11 -1.64 116.42 118.56 3i98 h ASP 131 Ca 0.34 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 3i98 h ASP 131 Cb -0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3i98 h ASP 131 CO -0.10 0.81 -0.32 1.05 -1.72 0.00 0.00 179.24 178.96 3i98 h GLU 132 N 1.09 0.61 -0.13 3.56 4.11 -0.66 -0.51 114.58 122.65 3i98 h GLU 132 Ca 0.27 -0.28 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 3i98 h GLU 132 Cb 0.07 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3i98 h GLU 132 CO -0.04 0.86 -0.06 0.82 0.07 0.00 0.00 179.01 180.66 3i98 h ILE 133 N 0.52 1.32 -0.85 -1.06 2.04 -1.18 -2.00 117.51 116.29 3i98 h ILE 133 Ca 0.06 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 3i98 h ILE 133 Cb 0.81 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 3i98 h ILE 133 CO 0.07 0.32 0.46 0.00 0.00 0.00 0.00 178.15 178.99 3i98 h ALA 134 N 0.66 1.21 -0.61 1.87 0.00 -1.20 -2.40 119.26 118.78 3i98 h ALA 134 Ca 0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3i98 h ALA 134 Cb 0.52 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i98 h ALA 134 CO 0.02 0.64 0.01 1.25 0.00 0.00 0.00 179.25 181.16 3i98 h HIS 135 N 1.20 1.18 -0.17 0.00 -0.00 -1.03 0.62 115.15 116.95 3i98 h HIS 135 Ca 0.30 -0.20 0.05 0.00 -0.00 0.00 0.00 60.37 60.52 3i98 h HIS 135 Cb 0.03 -0.31 -0.05 0.00 -0.00 0.00 0.00 27.41 27.09 3i98 h HIS 135 CO 0.01 1.03 -0.15 0.35 -0.00 0.00 0.00 177.93 179.17 3i98 h PHE 136 N 0.98 -0.38 0.00 5.26 3.57 -1.02 -1.58 116.94 123.77 3i98 h PHE 136 Ca 0.18 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 3i98 h PHE 136 Cb 0.56 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 3i98 h PHE 136 CO 0.04 -0.22 -0.39 0.74 -2.23 0.00 0.00 178.31 176.24 3i98 h PHE 137 N -0.17 0.00 -0.39 0.41 0.04 -1.20 0.47 116.94 116.10 3i98 h PHE 137 Ca 0.11 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.80 3i98 h PHE 137 Cb 0.33 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 3i98 h PHE 137 CO -0.29 0.39 -0.10 0.37 -0.60 0.00 0.00 178.31 178.09 3i98 h GLN 138 N 0.00 0.67 -0.00 1.51 4.15 -0.42 -3.37 115.11 117.64 3i98 h GLN 138 Ca -0.00 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.21 3i98 h GLN 138 Cb 0.87 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.49 3i98 h GLN 138 CO 0.05 0.75 -0.20 0.54 -1.93 0.00 0.00 178.83 178.04 3i98 n ARG 139 N -4.19 5.53 0.28 1.69 5.12 -0.64 -4.57 116.66 119.89 3i98 n ARG 139 Ca 0.01 -0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.10 3i98 n ARG 139 Cb 0.34 -0.71 0.75 0.00 -1.16 0.00 0.00 32.46 31.68 3i98 n ARG 139 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 177.63 175.80 3i98 h TYR 140 N 0.01 0.00 -0.40 -1.55 -0.00 -1.08 -1.76 116.97 112.18 3i98 h TYR 140 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3i98 h TYR 140 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.83 3i98 h TYR 140 CO 0.00 0.02 0.00 1.63 -0.00 0.00 0.00 178.16 179.81 3i98 n LYS 141 N -3.14 3.08 -0.33 0.10 5.02 -1.26 -4.52 118.16 117.11 3i98 n LYS 141 Ca -0.00 -2.49 -0.01 0.00 -2.02 0.00 0.00 58.31 53.80 3i98 n LYS 141 Cb 0.28 -1.58 0.16 0.00 -0.02 0.00 0.00 35.03 33.87 3i98 n LYS 141 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3i98 h GLU 142 N 2.51 1.20 0.00 1.97 4.81 -1.52 -1.48 114.58 122.08 3i98 h GLU 142 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3i98 h GLU 142 Cb 1.10 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3i98 h GLU 142 CO 0.11 0.80 0.00 1.28 -0.73 0.00 0.00 179.01 180.47 3i98 n LEU 143 N -4.41 0.02 -0.52 1.64 4.77 -1.26 -1.49 117.00 115.76 3i98 n LEU 143 Ca 0.11 0.50 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 3i98 n LEU 143 Cb 0.04 -0.50 0.48 0.00 -2.33 0.00 0.00 43.42 41.12 3i98 n LEU 143 CO 0.36 -0.05 0.85 0.00 -1.33 0.00 0.00 177.39 177.22 3i98 n GLN 144 N -1.52 1.71 -0.99 3.23 6.02 -0.57 -4.93 117.38 120.33 3i98 n GLN 144 Ca 0.06 -1.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.01 3i98 n GLN 144 Cb 0.31 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3i98 n GLN 144 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i98 n GLY 145 N 1.18 0.44 3.86 1.08 0.00 -0.55 -5.01 105.19 106.18 3i98 n GLY 145 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3i98 n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i98 s LYS 146 N -0.39 3.90 -0.08 1.61 -0.14 -1.14 -5.04 119.74 118.46 3i98 s LYS 146 Ca 0.00 0.68 0.04 0.00 -1.36 0.00 0.00 55.97 55.33 3i98 s LYS 146 Cb 0.00 -2.32 -0.01 0.00 -1.68 0.00 0.00 37.83 33.82 3i98 s LYS 146 CO 0.00 -0.05 -0.20 0.95 -0.76 0.00 0.00 175.35 175.28 3i98 s THR 147 N -2.34 2.46 0.22 2.17 -4.23 -1.26 -4.39 115.64 108.27 3i98 s THR 147 Ca 0.54 -0.91 0.11 0.00 -1.18 0.00 0.00 61.69 60.26 3i98 s THR 147 Cb -0.10 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.75 3i98 s THR 147 CO 0.27 0.56 -0.22 0.42 -0.54 0.00 0.00 174.62 175.12 3i98 s THR 148 N -0.11 2.32 -0.10 3.99 -4.23 -1.26 -2.70 115.64 113.55 3i98 s THR 148 Ca -0.04 -2.15 -0.00 0.00 -1.18 0.00 0.00 61.69 58.32 3i98 s THR 148 Cb -0.14 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.57 3i98 s THR 148 CO 0.04 -0.24 -0.08 -0.75 -0.54 0.00 0.00 174.62 173.05 3i98 s LYS 149 N -2.98 1.48 -0.27 3.99 2.47 0.12 -4.94 119.74 119.62 3i98 s LYS 149 Ca 0.23 -0.26 -0.19 0.00 -1.56 0.00 0.00 55.97 54.20 3i98 s LYS 149 Cb -0.07 -1.50 -0.02 0.00 -1.46 0.00 0.00 37.83 34.78 3i98 s LYS 149 CO 0.11 -0.22 0.57 0.42 0.16 0.00 0.00 175.35 176.39 3i98 s ILE 150 N 1.53 5.02 -0.70 5.43 -1.09 -1.26 -0.70 121.20 129.43 3i98 s ILE 150 Ca 0.01 0.94 0.21 0.00 -2.23 0.00 0.00 60.65 59.59 3i98 s ILE 150 Cb -0.13 -3.89 -0.26 0.00 -1.58 0.00 0.00 42.46 36.60 3i98 s ILE 150 CO -0.06 0.03 0.76 -0.62 -1.23 0.00 0.00 174.94 173.82 3i98 n GLU 151 N 5.65 0.27 0.00 2.79 1.02 0.64 -4.99 120.64 126.02 3i98 n GLU 151 Ca -0.03 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3i98 n GLU 151 Cb 0.49 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 3i98 n GLU 151 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i98 n GLY 152 N 1.43 0.69 3.26 0.62 0.00 -1.16 -4.95 105.19 105.07 3i98 n GLY 152 Ca 0.02 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 3i98 n GLY 152 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i98 s TRP 153 N -1.26 2.34 0.31 1.61 0.52 -1.26 -0.70 118.94 120.50 3i98 s TRP 153 Ca 0.00 -0.66 0.06 0.00 0.02 0.00 0.00 56.10 55.52 3i98 s TRP 153 Cb 0.00 -1.53 -0.01 0.00 -1.15 0.00 0.00 33.47 30.77 3i98 s TRP 153 CO 0.00 -0.19 0.44 0.20 0.02 0.00 0.00 176.95 177.43 3i98 s GLY 154 N -0.21 1.49 0.55 0.98 0.00 0.67 -4.95 107.32 105.84 3i98 s GLY 154 Ca -0.02 -1.38 -0.05 0.00 0.00 0.00 0.00 44.72 43.27 3i98 s GLY 154 CO 0.03 -1.32 0.75 1.16 0.00 0.00 0.00 173.10 173.71 3i98 n ASN 155 N -1.59 0.46 -0.11 1.64 2.04 -1.26 -1.87 115.26 114.57 3i98 n ASN 155 Ca -0.03 -1.51 -0.02 0.00 -0.44 0.00 0.00 54.58 52.58 3i98 n ASN 155 Cb 0.58 -0.53 0.22 0.00 -2.53 0.00 0.00 39.78 37.52 3i98 n ASN 155 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3i98 h ALA 156 N -1.23 1.28 -0.56 -2.53 0.00 -1.85 -1.56 119.26 112.82 3i98 h ALA 156 Ca -0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3i98 h ALA 156 Cb 0.77 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3i98 h ALA 156 CO 0.21 0.51 0.31 1.49 0.00 0.00 0.00 179.25 181.77 3i98 h GLU 157 N 0.75 0.78 -0.45 0.00 4.57 -1.93 -1.29 114.58 117.01 3i98 h GLU 157 Ca 0.17 -0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 58.13 3i98 h GLU 157 Cb 0.26 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3i98 h GLU 157 CO -0.00 0.60 -0.24 1.49 -1.18 0.00 0.00 179.01 179.68 3i98 h GLU 158 N 0.75 0.93 -0.65 1.92 4.81 -1.79 -2.34 114.58 118.21 3i98 h GLU 158 Ca 0.20 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 3i98 h GLU 158 Cb 0.04 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3i98 h GLU 158 CO -0.03 1.06 0.37 0.00 -0.73 0.00 0.00 179.01 179.68 3i98 h ALA 159 N 0.92 0.84 -0.56 2.92 0.00 -0.98 -1.85 119.26 120.55 3i98 h ALA 159 Ca 0.10 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3i98 h ALA 159 Cb 0.80 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3i98 h ALA 159 CO 0.07 0.34 -0.07 0.87 0.00 0.00 0.00 179.25 180.45 3i98 h LYS 160 N 0.89 1.03 -0.49 0.00 1.57 -1.09 -0.68 116.57 117.79 3i98 h LYS 160 Ca 0.23 -0.36 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3i98 h LYS 160 Cb 0.02 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 3i98 h LYS 160 CO -0.04 1.05 0.27 -0.09 -0.57 0.00 0.00 179.45 180.07 3i98 h ARG 161 N 0.91 0.52 -0.48 3.15 2.43 -1.21 -1.99 114.38 117.71 3i98 h ARG 161 Ca 0.15 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 3i98 h ARG 161 Cb 0.64 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3i98 h ARG 161 CO 0.04 0.34 -0.02 0.93 -1.51 0.00 0.00 179.97 179.76 3i98 h GLU 162 N 0.53 0.80 -0.41 0.20 4.39 -1.03 -1.90 114.58 117.17 3i98 h GLU 162 Ca 0.21 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.69 3i98 h GLU 162 Cb 0.08 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3i98 h GLU 162 CO -0.12 0.82 0.27 0.82 -1.16 0.00 0.00 179.01 179.63 3i98 h ILE 163 N 0.75 1.09 -0.76 3.13 2.04 -0.74 -1.06 117.51 121.95 3i98 h ILE 163 Ca 0.14 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3i98 h ILE 163 Cb 0.48 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3i98 h ILE 163 CO 0.02 0.10 0.39 -0.07 0.00 0.00 0.00 178.15 178.59 3i98 h LEU 164 N 0.54 0.97 -0.79 1.44 3.38 -1.08 -0.95 115.31 118.83 3i98 h LEU 164 Ca 0.15 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i98 h LEU 164 Cb -0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 3i98 h LEU 164 CO -0.04 0.80 0.49 0.03 0.09 0.00 0.00 178.44 179.81 3i98 h ARG 165 N 1.07 1.06 -0.24 1.13 3.08 -1.00 -1.82 114.38 117.67 3i98 h ARG 165 Ca 0.27 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 3i98 h ARG 165 Cb 0.07 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3i98 h ARG 165 CO -0.04 0.73 -0.40 0.00 -1.07 0.00 0.00 179.97 179.19 3i98 h ALA 166 N 1.26 0.86 -0.42 0.04 0.00 -0.57 -0.50 119.26 119.94 3i98 h ALA 166 Ca 0.28 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3i98 h ALA 166 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3i98 h ALA 166 CO -0.06 0.64 0.11 0.82 0.00 0.00 0.00 179.25 180.77 3i98 h ILE 167 N 0.46 1.23 -0.65 0.00 2.04 -0.98 -1.71 117.51 117.89 3i98 h ILE 167 Ca 0.04 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 3i98 h ILE 167 Cb 0.90 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 3i98 h ILE 167 CO 0.08 0.27 0.35 -0.08 0.00 0.00 0.00 178.15 178.77 3i98 h GLU 168 N 0.54 0.92 -0.70 2.37 4.57 -1.05 -2.59 114.58 118.63 3i98 h GLU 168 Ca 0.13 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3i98 h GLU 168 Cb 0.30 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 3i98 h GLU 168 CO -0.00 0.70 0.37 0.52 -1.18 0.00 0.00 179.01 179.42 3i98 h MET 169 N 0.89 0.97 -0.38 1.92 2.86 -0.91 -1.91 114.93 118.37 3i98 h MET 169 Ca 0.23 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3i98 h MET 169 Cb 0.06 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3i98 h MET 169 CO -0.03 0.72 0.17 -0.92 1.06 0.00 0.00 176.91 177.90 3i98 h TYR 170 N 0.97 0.57 -0.75 -0.22 5.03 -1.13 -2.04 116.97 119.40 3i98 h TYR 170 Ca 0.25 -0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.54 3i98 h TYR 170 Cb 0.04 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 38.10 3i98 h TYR 170 CO 0.01 0.50 0.48 0.87 -1.32 0.00 0.00 178.16 178.70 3i98 h LYS 171 N 0.48 0.92 -0.36 1.82 1.57 -1.03 -0.50 116.57 119.48 3i98 h LYS 171 Ca 0.13 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 3i98 h LYS 171 Cb 0.16 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3i98 h LYS 171 CO -0.01 0.61 -0.18 0.93 -0.57 0.00 0.00 179.45 180.22 3i98 h GLU 172 N 0.95 0.67 0.00 3.15 5.08 -1.22 -1.20 114.58 122.02 3i98 h GLU 172 Ca 0.29 -0.24 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 3i98 h GLU 172 Cb -0.02 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3i98 h GLU 172 CO -0.10 0.82 -1.13 -0.22 -1.00 0.00 0.00 179.01 177.38 3i98 h LYS 173 N 0.60 0.00 0.00 2.33 3.64 -1.02 -3.43 116.57 118.70 3i98 h LYS 173 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3i98 h LYS 173 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3i98 h LYS 173 CO 0.05 0.34 -0.41 1.19 -2.27 0.00 0.00 179.45 178.35 3i98 n PHE 174 N -2.98 -0.17 0.00 1.91 3.72 -0.23 -5.09 117.46 114.62 3i98 n PHE 174 Ca -0.06 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3i98 n PHE 174 Cb 0.79 0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 3i98 n PHE 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12