#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i98 h PRO 3 N 0.00 0.00 -0.53 1.20 0.11 -1.93 -1.22 132.00 129.63 3i98 h PRO 3 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3i98 h PRO 3 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3i98 h PRO 3 CO 0.00 0.00 0.18 0.35 -0.21 0.00 0.00 178.00 178.32 3i98 h PHE 4 N 0.00 0.79 0.02 0.65 3.57 -1.97 -2.98 116.94 117.02 3i98 h PHE 4 Ca 0.06 -0.05 -0.31 0.00 3.53 0.00 0.00 57.97 61.20 3i98 h PHE 4 Cb 0.36 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 3i98 h PHE 4 CO 0.00 0.64 -1.82 0.72 -2.23 0.00 0.00 178.31 175.61 3i98 n HIS 5 N -4.32 0.95 0.08 0.41 8.25 -0.49 -1.50 115.22 118.60 3i98 n HIS 5 Ca 0.04 0.31 -0.04 0.00 -0.26 0.00 0.00 57.72 57.78 3i98 n HIS 5 Cb 0.18 -1.17 -0.07 0.00 1.12 0.00 0.00 29.99 30.05 3i98 n HIS 5 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 3i98 h GLU 6 N 0.01 0.00 -6.44 -0.41 4.11 -1.49 -3.46 114.58 106.90 3i98 h GLU 6 Ca -0.33 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.56 3i98 h GLU 6 Cb 2.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.25 3i98 h GLU 6 CO 0.07 0.75 0.08 -0.51 0.07 0.00 0.00 179.01 179.48 3i98 s LEU 7 N -6.51 4.48 0.73 3.06 1.43 -1.13 -5.07 118.68 115.67 3i98 s LEU 7 Ca 0.01 1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 54.41 3i98 s LEU 7 Cb 0.09 -3.27 0.04 0.00 0.03 0.00 0.00 46.19 43.08 3i98 s LEU 7 CO 0.80 0.17 1.12 -1.61 0.23 0.00 0.00 176.35 177.05 3i98 s GLU 8 N -1.44 2.40 0.49 1.70 8.01 -1.26 -4.17 118.70 124.43 3i98 s GLU 8 Ca 0.36 1.36 0.23 0.00 0.01 0.00 0.00 54.97 56.93 3i98 s GLU 8 Cb -0.20 -1.90 1.28 0.00 -4.31 0.00 0.00 34.13 29.00 3i98 s GLU 8 CO 0.22 -1.56 2.03 -1.35 0.01 0.00 0.00 175.26 174.61 3i98 h PRO 9 N -0.57 0.00 0.00 0.39 0.11 -1.87 -3.42 132.00 126.63 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 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i98 h PRO 9 CO 0.52 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 3i98 n GLY 10 N -0.76 0.88 0.20 -0.55 0.00 -1.26 -0.94 105.19 102.76 3i98 n GLY 10 Ca -0.02 -0.74 0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.78 1.61 0.14 -1.89 -3.39 132.00 127.69 3i98 h PRO 11 Ca 0.00 0.00 -0.34 0.00 0.14 0.00 0.00 66.00 65.80 3i98 h PRO 11 Cb 0.00 0.00 -0.24 0.00 0.14 0.00 0.00 31.00 30.90 3i98 h PRO 11 CO 0.00 0.18 -0.73 -1.91 0.14 0.00 0.00 178.00 175.67 3i98 n GLU 12 N -3.18 0.91 -2.00 0.86 2.13 -1.10 -5.04 120.64 113.23 3i98 n GLU 12 Ca 0.02 -2.43 -0.40 0.00 0.66 0.00 0.00 57.16 55.02 3i98 n GLU 12 Cb 0.55 -1.32 -0.00 0.00 0.27 0.00 0.00 31.44 30.93 3i98 n GLU 12 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3i98 s VAL 13 N -0.51 2.49 -1.08 6.31 -7.23 -1.19 -0.88 120.40 118.31 3i98 s VAL 13 Ca 0.31 0.44 0.17 0.00 -1.81 0.00 0.00 61.98 61.09 3i98 s VAL 13 Cb 0.27 -3.26 0.71 0.00 0.56 0.00 0.00 36.38 34.66 3i98 s VAL 13 CO -0.11 0.07 1.61 -0.81 -0.31 0.00 0.00 175.10 175.55 3i98 n PRO 14 N 0.09 3.76 0.06 4.82 -0.04 -1.26 -4.86 135.00 137.57 3i98 n PRO 14 Ca 0.04 -2.80 -0.08 0.00 -0.04 0.00 0.00 63.50 60.62 3i98 n PRO 14 Cb 0.43 -1.92 0.06 0.00 -0.04 0.00 0.00 33.50 32.04 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 3.97 0.36 -3.64 0.54 4.39 -1.40 -3.42 114.58 115.38 3i98 h GLU 15 Ca 0.00 -0.27 -0.41 0.00 0.34 0.00 0.00 59.36 59.02 3i98 h GLU 15 Cb 1.47 0.05 -0.38 0.00 -0.10 0.00 0.00 28.75 29.79 3i98 h GLU 15 CO 0.25 0.89 -0.76 0.08 -1.16 0.00 0.00 179.01 178.32 3i98 s VAL 16 N -3.71 0.27 0.36 3.13 1.01 -0.20 -4.16 120.40 117.10 3i98 s VAL 16 Ca -0.05 0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.18 3i98 s VAL 16 Cb 0.11 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.99 3i98 s VAL 16 CO 0.82 0.23 -0.03 0.68 0.00 0.00 0.00 175.10 176.80 3i98 s VAL 17 N 1.87 2.27 0.01 2.92 -7.23 -0.34 -2.71 120.40 117.18 3i98 s VAL 17 Ca 0.03 -2.08 -0.19 0.00 -1.81 0.00 0.00 61.98 57.93 3i98 s VAL 17 Cb -0.12 -2.78 -0.06 0.00 0.56 0.00 0.00 36.38 33.98 3i98 s VAL 17 CO -0.04 -0.14 0.53 -0.31 -0.31 0.00 0.00 175.10 174.83 3i98 s TYR 18 N -2.61 3.71 -0.19 2.82 4.12 -0.11 -0.74 117.35 124.35 3i98 s TYR 18 Ca 0.34 1.14 -0.03 0.00 0.02 0.00 0.00 57.07 58.54 3i98 s TYR 18 Cb 0.04 -2.50 -0.02 0.00 -1.52 0.00 0.00 41.96 37.96 3i98 s TYR 18 CO 0.18 0.47 -0.05 0.00 0.02 0.00 0.00 175.55 176.16 3i98 s ALA 19 N -0.57 2.84 -0.45 3.71 0.00 0.32 -4.26 121.76 123.35 3i98 s ALA 19 Ca 0.28 -1.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 3i98 s ALA 19 Cb -0.18 -1.59 0.04 0.00 0.00 0.00 0.00 23.12 21.39 3i98 s ALA 19 CO 0.16 -0.14 0.45 -1.17 0.00 0.00 0.00 175.76 175.06 3i98 s LEU 20 N 0.99 5.13 0.05 0.00 2.96 0.19 -0.99 118.68 127.01 3i98 s LEU 20 Ca 0.00 -0.94 -0.30 0.00 -0.22 0.00 0.00 54.13 52.68 3i98 s LEU 20 Cb -0.15 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 3i98 s LEU 20 CO 0.00 -0.65 0.99 -0.63 -1.32 0.00 0.00 176.35 174.75 3i98 s ILE 21 N 2.05 4.64 -0.17 6.68 -1.09 -0.64 -1.73 121.20 130.93 3i98 s ILE 21 Ca 0.10 2.01 0.06 0.00 -2.23 0.00 0.00 60.65 60.58 3i98 s ILE 21 Cb -0.20 -4.29 -0.14 0.00 -1.58 0.00 0.00 42.46 36.25 3i98 s ILE 21 CO 0.11 0.22 -0.09 -0.62 -1.23 0.00 0.00 174.94 173.33 3i98 n GLU 22 N 3.41 0.86 -3.85 2.79 1.02 0.45 0.51 120.64 125.83 3i98 n GLU 22 Ca 0.05 0.07 -0.27 0.00 -0.02 0.00 0.00 57.16 56.98 3i98 n GLU 22 Cb 0.50 -1.38 -0.17 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.37 0.91 0.52 -3.67 1.01 -0.20 -4.67 121.20 112.73 3i98 s ILE 23 Ca -0.19 -0.46 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 3i98 s ILE 23 Cb 0.06 -1.10 -0.07 0.00 0.01 0.00 0.00 42.46 41.35 3i98 s ILE 23 CO 0.50 0.14 1.07 -2.84 0.00 0.00 0.00 174.94 173.80 3i98 s PRO 24 N 1.72 3.61 0.33 2.79 0.02 -1.26 -0.17 135.00 142.04 3i98 s PRO 24 Ca 0.02 1.41 -0.27 0.00 0.02 0.00 0.00 61.00 62.17 3i98 s PRO 24 Cb -0.15 -2.06 -0.13 0.00 0.02 0.00 0.00 34.50 32.19 3i98 s PRO 24 CO -0.07 -0.60 1.15 1.17 -0.33 0.00 0.00 177.00 178.31 3i98 n LYS 25 N -1.20 1.74 -0.17 5.54 4.81 -1.23 -2.45 118.16 125.19 3i98 n LYS 25 Ca 0.10 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 3i98 n LYS 25 Cb 0.52 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.46 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 0.99 0.79 3.77 3.14 0.00 0.10 -4.87 105.19 109.10 3i98 n GLY 26 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3i98 n GLY 26 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i98 s SER 27 N -2.83 7.47 0.04 1.61 0.15 -1.03 -4.74 113.70 114.37 3i98 s SER 27 Ca 0.00 1.73 0.22 0.00 0.70 0.00 0.00 55.95 58.61 3i98 s SER 27 Cb 0.00 -2.53 -0.22 0.00 -1.71 0.00 0.00 66.02 61.56 3i98 s SER 27 CO 0.00 0.19 0.69 -1.14 1.20 0.00 0.00 173.24 174.17 3i98 n ARG 28 N 1.61 0.61 -2.61 5.44 0.63 -1.26 -1.70 116.66 119.38 3i98 n ARG 28 Ca -0.04 -0.09 -0.42 0.00 -0.92 0.00 0.00 57.85 56.38 3i98 n ARG 28 Cb 0.48 -1.61 -0.04 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 -4.69 7.32 -0.33 6.15 0.01 -1.26 -2.22 114.94 119.92 3i98 s ASN 29 Ca -0.05 1.85 -0.13 0.00 -0.71 0.00 0.00 52.86 53.83 3i98 s ASN 29 Cb 0.13 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 3i98 s ASN 29 CO 0.87 -0.25 0.24 -0.75 -1.51 0.00 0.00 177.10 175.69 3i98 s LYS 30 N 0.50 3.59 0.12 -0.60 2.20 0.36 -4.96 119.74 120.95 3i98 s LYS 30 Ca 0.52 -0.57 0.03 0.00 -0.36 0.00 0.00 55.97 55.60 3i98 s LYS 30 Cb -0.25 -3.78 -0.04 0.00 -1.51 0.00 0.00 37.83 32.25 3i98 s LYS 30 CO 0.30 -0.39 0.13 0.71 -0.36 0.00 0.00 175.35 175.74 3i98 s TYR 31 N 1.74 3.23 0.22 4.03 1.51 -1.26 -0.20 117.35 126.62 3i98 s TYR 31 Ca 0.07 0.06 -0.00 0.00 -1.01 0.00 0.00 57.07 56.19 3i98 s TYR 31 Cb -0.17 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 3i98 s TYR 31 CO 0.11 0.53 0.13 -1.83 -1.11 0.00 0.00 175.55 173.37 3i98 s GLU 32 N -2.74 1.29 -0.01 -0.62 -1.05 0.02 -4.76 118.70 110.82 3i98 s GLU 32 Ca 0.31 -1.69 -0.23 0.00 -0.15 0.00 0.00 54.97 53.21 3i98 s GLU 32 Cb -0.11 0.12 -0.05 0.00 -0.44 0.00 0.00 34.13 33.65 3i98 s GLU 32 CO 0.24 -0.38 0.69 -0.51 0.95 0.00 0.00 175.26 176.25 3i98 s LEU 33 N -3.21 4.39 0.07 1.83 1.02 -1.26 -0.06 118.68 121.45 3i98 s LEU 33 Ca 0.39 1.26 -0.31 0.00 0.02 0.00 0.00 54.13 55.49 3i98 s LEU 33 Cb 0.07 -3.08 -0.07 0.00 0.02 0.00 0.00 46.19 43.13 3i98 s LEU 33 CO 0.13 -0.01 1.47 -0.62 0.02 0.00 0.00 176.35 177.34 3i98 s ASP 34 N 0.24 6.76 0.11 2.29 2.15 0.13 -4.88 116.67 123.47 3i98 s ASP 34 Ca 0.36 2.31 -0.20 0.00 0.43 0.00 0.00 52.55 55.45 3i98 s ASP 34 Cb -0.19 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 39.78 3i98 s ASP 34 CO 0.19 -0.75 1.72 0.11 -0.17 0.00 0.00 175.17 176.28 3i98 h LYS 35 N 7.55 0.25 0.15 4.34 1.79 -1.96 0.35 116.57 129.04 3i98 h LYS 35 Ca -0.41 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.03 3i98 h LYS 35 Cb 1.20 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3i98 h LYS 35 CO 0.90 0.23 -0.07 0.87 -1.08 0.00 0.00 179.45 180.29 3i98 h LYS 36 N 0.21 -0.19 0.00 3.15 6.56 -1.98 -3.36 116.57 120.95 3i98 h LYS 36 Ca 0.07 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.63 3i98 h LYS 36 Cb 0.04 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 3i98 h LYS 36 CO -0.01 -0.05 -1.73 0.25 -2.06 0.00 0.00 179.45 175.84 3i98 n THR 37 N -5.14 0.15 -0.99 -0.16 -2.24 -1.22 -4.89 114.28 99.80 3i98 n THR 37 Ca -0.09 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3i98 n THR 37 Cb 0.14 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 1.72 0.57 3.82 3.38 0.00 0.12 -4.62 105.19 110.19 3i98 n GLY 38 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 3.33 0.33 0.99 1.43 -1.26 -4.63 118.68 118.87 3i98 s LEU 39 Ca 0.00 1.68 -0.28 0.00 -1.03 0.00 0.00 54.13 54.50 3i98 s LEU 39 Cb 0.00 -4.51 -0.10 0.00 0.03 0.00 0.00 46.19 41.61 3i98 s LEU 39 CO 0.00 -1.22 1.22 -0.22 0.23 0.00 0.00 176.35 176.36 3i98 s LEU 40 N -4.97 4.42 -0.00 1.79 2.96 -1.26 0.19 118.68 121.81 3i98 s LEU 40 Ca 0.60 2.51 0.02 0.00 -0.22 0.00 0.00 54.13 57.03 3i98 s LEU 40 Cb -0.14 -3.72 -0.01 0.00 0.50 0.00 0.00 46.19 42.83 3i98 s LEU 40 CO 0.45 -0.46 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.22 3i98 s LYS 41 N -1.80 0.45 -0.21 1.98 2.20 0.91 -4.80 119.74 118.49 3i98 s LYS 41 Ca 0.49 -0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.57 3i98 s LYS 41 Cb -0.36 -0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 35.52 3i98 s LYS 41 CO 0.47 0.11 1.41 -1.17 -0.36 0.00 0.00 175.35 175.82 3i98 s LEU 42 N -0.23 4.03 -0.12 5.43 2.96 -1.26 -0.80 118.68 128.68 3i98 s LEU 42 Ca 0.01 1.58 -0.14 0.00 -0.22 0.00 0.00 54.13 55.36 3i98 s LEU 42 Cb -0.03 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 43.00 3i98 s LEU 42 CO -0.00 -1.01 0.38 -0.78 -1.32 0.00 0.00 176.35 173.61 3i98 h ASP 43 N 9.37 -0.00 -5.10 3.68 3.58 -0.90 -3.47 116.42 123.58 3i98 h ASP 43 Ca -0.30 -0.48 0.11 0.00 0.42 0.00 0.00 57.03 56.79 3i98 h ASP 43 Cb 1.12 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.09 3i98 h ASP 43 CO 1.00 0.73 0.37 0.00 -2.88 0.00 0.00 179.24 178.45 3i98 s ARG 44 N -1.90 1.37 -0.20 0.28 1.70 -1.06 -5.03 118.95 114.11 3i98 s ARG 44 Ca -0.09 -0.71 -0.15 0.00 -0.47 0.00 0.00 55.73 54.30 3i98 s ARG 44 Cb -0.01 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 3i98 s ARG 44 CO 0.33 -0.62 0.36 0.08 -1.08 0.00 0.00 175.30 174.37 3i98 s VAL 45 N -3.54 5.23 0.31 4.99 1.01 -1.26 -0.49 120.40 126.65 3i98 s VAL 45 Ca 0.10 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 3i98 s VAL 45 Cb -0.03 -3.69 -0.13 0.00 0.00 0.00 0.00 36.38 32.53 3i98 s VAL 45 CO 0.01 0.28 1.22 0.18 0.00 0.00 0.00 175.10 176.78 3i98 n LEU 46 N 4.35 2.90 0.13 3.92 4.77 -0.94 -4.84 117.00 127.28 3i98 n LEU 46 Ca -0.09 1.19 0.12 0.00 -0.03 0.00 0.00 56.01 57.20 3i98 n LEU 46 Cb 0.51 -1.41 0.48 0.00 -2.33 0.00 0.00 43.42 40.67 3i98 n LEU 46 CO 0.39 -0.79 0.86 -1.22 -1.33 0.00 0.00 177.39 175.31 3i98 n TYR 47 N 0.55 0.84 -4.44 -1.77 4.02 -1.26 -4.77 117.16 110.32 3i98 n TYR 47 Ca 0.07 0.31 -0.24 0.00 -0.01 0.00 0.00 57.90 58.04 3i98 n TYR 47 Cb 0.34 -1.01 -0.10 0.00 -0.02 0.00 0.00 39.34 38.55 3i98 n TYR 47 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i98 s SER 48 N -4.31 3.42 -1.56 7.72 0.01 -1.26 -5.02 113.70 112.69 3i98 s SER 48 Ca 0.05 -1.00 -0.10 0.00 1.31 0.00 0.00 55.95 56.21 3i98 s SER 48 Cb 0.10 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 3i98 s SER 48 CO 0.43 0.02 2.77 -0.81 0.41 0.00 0.00 173.24 176.06 3i98 n PRO 49 N -0.44 3.68 -3.47 12.44 -0.04 -1.26 -4.86 135.00 141.05 3i98 n PRO 49 Ca -0.07 -2.43 -0.20 0.00 -0.04 0.00 0.00 63.50 60.76 3i98 n PRO 49 Cb 0.59 -2.86 -0.00 0.00 -0.04 0.00 0.00 33.50 31.19 3i98 n PRO 49 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i98 s PHE 50 N 1.91 3.22 0.04 0.54 0.08 -1.26 -5.14 117.98 117.37 3i98 s PHE 50 Ca 0.64 -0.06 0.03 0.00 0.12 0.00 0.00 56.93 57.66 3i98 s PHE 50 Cb 0.17 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 3i98 s PHE 50 CO -0.07 0.02 -0.09 -0.59 -0.10 0.00 0.00 175.22 174.39 3i98 s PHE 51 N -2.22 0.78 0.10 0.36 -0.12 -1.26 -4.44 117.98 111.19 3i98 s PHE 51 Ca 0.43 -0.45 -0.32 0.00 -0.05 0.00 0.00 56.93 56.54 3i98 s PHE 51 Cb -0.10 -0.46 -0.11 0.00 -0.63 0.00 0.00 43.02 41.72 3i98 s PHE 51 CO 0.32 -0.05 1.83 0.66 -0.05 0.00 0.00 175.22 177.94 3i98 n TYR 52 N 1.57 2.57 1.39 3.49 4.02 -0.69 -4.79 117.16 124.72 3i98 n TYR 52 Ca -0.21 -0.11 0.14 0.00 -0.01 0.00 0.00 57.90 57.70 3i98 n TYR 52 Cb 0.55 -2.71 0.58 0.00 -0.02 0.00 0.00 39.34 37.73 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 5.63 0.75 -4.05 -0.72 -0.04 -1.26 -0.72 135.00 134.58 3i98 n PRO 53 Ca 0.18 -0.29 -0.08 0.00 -0.04 0.00 0.00 63.50 63.27 3i98 n PRO 53 Cb 0.36 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.45 0.16 0.08 0.52 -7.23 -1.26 -4.90 120.40 105.31 3i98 s VAL 54 Ca 0.29 -1.69 -0.31 0.00 -1.81 0.00 0.00 61.98 58.47 3i98 s VAL 54 Cb 0.20 -1.68 -0.06 0.00 0.56 0.00 0.00 36.38 35.40 3i98 s VAL 54 CO 0.47 -0.71 1.23 -1.81 -0.31 0.00 0.00 175.10 173.97 3i98 s ASP 55 N -2.95 7.04 -0.07 4.85 1.11 -0.77 -3.53 116.67 122.36 3i98 s ASP 55 Ca 0.13 2.08 0.05 0.00 0.18 0.00 0.00 52.55 54.98 3i98 s ASP 55 Cb 0.07 -2.58 -0.00 0.00 1.07 0.00 0.00 42.92 41.47 3i98 s ASP 55 CO -0.06 -0.49 -0.23 -0.47 1.18 0.00 0.00 175.17 175.11 3i98 s TYR 56 N 0.97 2.28 0.00 4.23 5.04 0.76 -0.32 117.35 130.32 3i98 s TYR 56 Ca 0.59 -0.76 0.00 0.00 -2.44 0.00 0.00 57.07 54.46 3i98 s TYR 56 Cb -0.31 -1.52 0.00 0.00 0.35 0.00 0.00 41.96 40.48 3i98 s TYR 56 CO 0.30 -0.27 0.00 0.41 -1.34 0.00 0.00 175.55 174.65 3i98 n GLY 57 N 3.19 2.88 3.17 8.97 0.00 0.13 -0.41 105.19 123.13 3i98 n GLY 57 Ca -0.18 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.49 0.88 -0.22 -0.61 -4.36 -0.70 -0.88 121.20 113.81 3i98 s ILE 58 Ca 0.00 -1.70 -0.18 0.00 -0.26 0.00 0.00 60.65 58.51 3i98 s ILE 58 Cb 0.00 -1.42 -0.03 0.00 1.25 0.00 0.00 42.46 42.26 3i98 s ILE 58 CO 0.00 -0.63 0.48 -0.63 0.24 0.00 0.00 174.94 174.40 3i98 s ILE 59 N -2.71 5.12 0.72 8.37 1.01 -0.60 -0.63 121.20 132.47 3i98 s ILE 59 Ca 0.07 0.86 -0.16 0.00 0.00 0.00 0.00 60.65 61.42 3i98 s ILE 59 Cb -0.01 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.68 3i98 s ILE 59 CO -0.01 0.16 1.25 -2.84 0.00 0.00 0.00 174.94 173.51 3i98 s PRO 60 N 1.82 2.16 -1.48 2.79 0.02 -1.26 -3.27 135.00 135.78 3i98 s PRO 60 Ca 0.22 1.93 -0.08 0.00 0.02 0.00 0.00 61.00 63.08 3i98 s PRO 60 Cb -0.15 -1.82 0.06 0.00 0.02 0.00 0.00 34.50 32.61 3i98 s PRO 60 CO 0.09 -1.86 0.74 1.04 -0.33 0.00 0.00 177.00 176.68 3i98 n GLN 61 N -2.51 -4.39 -4.33 5.54 6.02 -0.56 -3.85 117.38 113.29 3i98 n GLN 61 Ca 0.15 0.51 -0.17 0.00 -0.01 0.00 0.00 57.00 57.48 3i98 n GLN 61 Cb 0.49 -5.10 -0.10 0.00 1.02 0.00 0.00 30.24 26.55 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 -3.56 1.35 -0.02 5.09 -4.23 -1.20 -4.60 115.64 108.46 3i98 s THR 62 Ca 0.35 -2.10 -0.13 0.00 -1.18 0.00 0.00 61.69 58.64 3i98 s THR 62 Cb -0.18 -2.17 0.02 0.00 1.34 0.00 0.00 72.50 71.51 3i98 s THR 62 CO 0.86 -0.49 0.27 0.86 -0.54 0.00 0.00 174.62 175.58 3i98 s TRP 63 N -3.22 -0.15 0.26 3.99 -0.11 -0.69 -4.25 118.94 114.77 3i98 s TRP 63 Ca 0.24 0.24 0.02 0.00 1.22 0.00 0.00 56.10 57.82 3i98 s TRP 63 Cb 0.03 0.07 -0.05 0.00 -1.50 0.00 0.00 33.47 32.01 3i98 s TRP 63 CO 0.07 -0.34 0.05 -0.47 -4.62 0.00 0.00 176.95 171.64 3i98 s TYR 64 N -1.16 1.60 0.59 5.86 5.04 0.23 -4.41 117.35 125.09 3i98 s TYR 64 Ca -0.12 -1.05 0.29 0.00 -2.44 0.00 0.00 57.07 53.75 3i98 s TYR 64 Cb -0.05 -0.96 1.50 0.00 0.35 0.00 0.00 41.96 42.80 3i98 s TYR 64 CO 0.03 -0.17 1.93 -0.44 -1.34 0.00 0.00 175.55 175.56 3i98 h ASP 65 N 2.39 0.00 -0.24 4.32 5.19 -1.87 0.05 116.42 126.27 3i98 h ASP 65 Ca -0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 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 0.64 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.86 3i98 n ASP 66 N -3.76 1.50 -1.63 6.45 5.75 -1.25 -4.87 116.55 118.73 3i98 n ASP 66 Ca 0.08 -1.87 -0.08 0.00 -0.01 0.00 0.00 54.79 52.91 3i98 n ASP 66 Cb 0.62 -0.16 0.03 0.00 -1.03 0.00 0.00 41.12 40.59 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 1.01 0.38 3.39 6.12 0.00 0.01 -5.05 105.19 111.04 3i98 n GLY 67 Ca 0.12 -0.34 -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 -3.18 -0.08 0.78 1.61 1.01 -1.25 -4.97 116.67 110.60 3i98 s ASP 68 Ca 0.17 -0.67 -0.14 0.00 0.71 0.00 0.00 52.55 52.61 3i98 s ASP 68 Cb -0.07 0.48 0.05 0.00 1.01 0.00 0.00 42.92 44.39 3i98 s ASP 68 CO 0.26 -0.93 1.06 -2.65 0.21 0.00 0.00 175.17 173.11 3i98 n PRO 69 N -0.25 0.28 -2.47 8.23 -0.02 -1.26 -0.60 135.00 138.92 3i98 n PRO 69 Ca -0.10 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.13 3i98 n PRO 69 Cb 0.63 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 3i98 n PRO 69 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i98 s PHE 70 N -2.02 3.41 0.34 6.00 5.99 -1.26 -4.70 117.98 125.74 3i98 s PHE 70 Ca 0.72 1.33 -0.25 0.00 0.00 0.00 0.00 56.93 58.73 3i98 s PHE 70 Cb -0.31 -3.38 -0.10 0.00 0.00 0.00 0.00 43.02 39.23 3i98 s PHE 70 CO 0.52 -1.13 0.96 -0.51 -0.00 0.00 0.00 175.22 175.06 3i98 s ASP 71 N 1.15 7.21 0.00 6.13 1.01 -1.26 -1.55 116.67 129.35 3i98 s ASP 71 Ca 0.57 1.86 0.00 0.00 0.71 0.00 0.00 52.55 55.69 3i98 s ASP 71 Cb -0.27 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.08 3i98 s ASP 71 CO 0.28 -0.16 -0.01 -0.51 0.21 0.00 0.00 175.17 174.97 3i98 s ILE 72 N -1.67 0.10 -0.18 0.77 2.07 -0.06 -1.66 121.20 120.57 3i98 s ILE 72 Ca 0.52 -0.12 -0.01 0.00 -1.41 0.00 0.00 60.65 59.64 3i98 s ILE 72 Cb -0.18 -0.10 -0.00 0.00 0.13 0.00 0.00 42.46 42.30 3i98 s ILE 72 CO 0.23 -0.01 -0.12 -0.04 -1.91 0.00 0.00 174.94 173.09 3i98 s MET 73 N -0.14 3.26 -0.15 3.50 -1.94 0.38 -0.69 119.30 123.52 3i98 s MET 73 Ca -0.01 -0.71 -0.01 0.00 -1.71 0.00 0.00 55.69 53.26 3i98 s MET 73 Cb -0.01 -2.76 -0.01 0.00 2.01 0.00 0.00 34.83 34.06 3i98 s MET 73 CO -0.00 -0.07 -0.12 0.08 -0.01 0.00 0.00 175.02 174.90 3i98 s VAL 74 N 1.06 2.97 -0.48 -6.03 1.01 0.57 -0.59 120.40 118.91 3i98 s VAL 74 Ca -0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 3i98 s VAL 74 Cb -0.15 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 33.99 3i98 s VAL 74 CO -0.03 0.51 1.18 -0.63 0.00 0.00 0.00 175.10 176.13 3i98 s ILE 75 N 0.66 4.14 -0.07 2.22 1.01 -0.72 -1.84 121.20 126.60 3i98 s ILE 75 Ca -0.06 1.15 0.05 0.00 0.00 0.00 0.00 60.65 61.78 3i98 s ILE 75 Cb -0.15 -4.57 -0.01 0.00 0.01 0.00 0.00 42.46 37.73 3i98 s ILE 75 CO 0.02 -1.02 -0.21 -0.04 0.00 0.00 0.00 174.94 173.69 3i98 s MET 76 N 4.59 2.70 0.07 2.79 -1.94 -1.26 -4.30 119.30 121.94 3i98 s MET 76 Ca 0.49 -0.83 -0.19 0.00 -1.71 0.00 0.00 55.69 53.44 3i98 s MET 76 Cb -0.08 -2.28 -0.11 0.00 2.01 0.00 0.00 34.83 34.37 3i98 s MET 76 CO 0.31 0.39 1.46 0.00 -0.01 0.00 0.00 175.02 177.17 3i98 h ARG 77 N 6.07 0.39 -5.14 2.03 3.08 -2.02 -3.41 114.38 115.37 3i98 h ARG 77 Ca -0.33 -0.15 -0.65 0.00 0.07 0.00 0.00 59.98 58.92 3i98 h ARG 77 Cb 1.18 -0.02 -0.26 0.00 0.08 0.00 0.00 29.97 30.95 3i98 h ARG 77 CO 0.49 0.63 -0.72 -2.00 -1.07 0.00 0.00 179.97 177.30 3i98 s GLU 78 N -4.78 3.44 0.67 0.04 2.12 -1.26 -5.11 118.70 113.83 3i98 s GLU 78 Ca -0.14 -0.62 -0.16 0.00 0.36 0.00 0.00 54.97 54.41 3i98 s GLU 78 Cb 0.06 -2.89 0.01 0.00 0.26 0.00 0.00 34.13 31.57 3i98 s GLU 78 CO 0.74 0.00 1.18 -2.14 -0.54 0.00 0.00 175.26 174.51 3i98 s PRO 79 N 0.95 2.54 0.63 4.30 0.02 -1.26 -5.03 135.00 137.15 3i98 s PRO 79 Ca -0.01 1.69 0.06 0.00 0.02 0.00 0.00 61.00 62.76 3i98 s PRO 79 Cb -0.15 -1.89 0.10 0.00 0.02 0.00 0.00 34.50 32.59 3i98 s PRO 79 CO 0.00 -1.51 0.87 0.14 -0.33 0.00 0.00 177.00 176.17 3i98 s VAL 80 N -1.95 2.14 0.38 3.83 -7.23 -1.26 -5.02 120.40 111.29 3i98 s VAL 80 Ca 0.74 -0.85 -0.13 0.00 -1.81 0.00 0.00 61.98 59.93 3i98 s VAL 80 Cb -0.27 -2.29 -0.08 0.00 0.56 0.00 0.00 36.38 34.29 3i98 s VAL 80 CO 0.41 0.00 0.78 -0.31 -0.31 0.00 0.00 175.10 175.67 3i98 s TYR 81 N -2.85 3.42 0.60 2.82 1.51 -1.26 -4.58 117.35 117.01 3i98 s TYR 81 Ca 0.64 1.18 -0.19 0.00 -1.01 0.00 0.00 57.07 57.69 3i98 s TYR 81 Cb -0.05 -2.53 -0.04 0.00 -0.11 0.00 0.00 41.96 39.22 3i98 s TYR 81 CO 0.41 -0.05 1.05 -2.30 -1.11 0.00 0.00 175.55 173.56 3i98 n PRO 82 N -0.90 0.99 -1.42 -1.71 -0.02 -1.26 -2.52 135.00 128.16 3i98 n PRO 82 Ca 0.03 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.79 3i98 n PRO 82 Cb 0.54 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 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 -0.98 -0.87 -4.78 2.45 4.77 0.18 -5.00 117.00 112.76 3i98 n LEU 83 Ca 0.14 0.24 -0.38 0.00 -0.03 0.00 0.00 56.01 55.98 3i98 n LEU 83 Cb 0.47 -1.74 -0.06 0.00 -2.33 0.00 0.00 43.42 39.76 3i98 n LEU 83 CO 0.49 -0.52 0.15 -0.89 -1.33 0.00 0.00 177.39 175.29 3i98 s THR 84 N -2.42 5.06 -0.08 -5.08 2.01 -1.05 -4.84 115.64 109.24 3i98 s THR 84 Ca 0.00 0.93 -0.23 0.00 0.31 0.00 0.00 61.69 62.70 3i98 s THR 84 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3i98 s THR 84 CO 0.00 0.47 0.68 -0.63 -0.69 0.00 0.00 174.62 174.45 3i98 s ILE 85 N -0.35 5.05 -0.06 1.82 1.01 -1.26 -1.62 121.20 125.79 3i98 s ILE 85 Ca 0.25 1.39 0.06 0.00 0.00 0.00 0.00 60.65 62.35 3i98 s ILE 85 Cb -0.16 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 3i98 s ILE 85 CO 0.13 0.24 -0.25 -0.63 0.00 0.00 0.00 174.94 174.43 3i98 s ILE 86 N 0.89 2.03 -0.22 2.92 1.01 -0.16 -4.96 121.20 122.70 3i98 s ILE 86 Ca 0.36 -1.05 -0.28 0.00 0.00 0.00 0.00 60.65 59.67 3i98 s ILE 86 Cb -0.17 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.59 3i98 s ILE 86 CO 0.17 0.56 1.01 -1.61 0.00 0.00 0.00 174.94 175.07 3i98 s GLU 87 N -0.13 4.26 0.00 2.79 2.02 -1.26 -0.52 118.70 125.86 3i98 s GLU 87 Ca -0.04 1.30 0.05 0.00 0.02 0.00 0.00 54.97 56.30 3i98 s GLU 87 Cb -0.14 -3.63 -0.02 0.00 0.10 0.00 0.00 34.13 30.44 3i98 s GLU 87 CO 0.04 -0.59 -0.16 0.00 0.02 0.00 0.00 175.26 174.57 3i98 s ALA 88 N 3.08 1.29 -0.28 5.21 0.00 0.08 -1.38 121.76 129.76 3i98 s ALA 88 Ca 0.43 -0.73 -0.10 0.00 0.00 0.00 0.00 51.96 51.56 3i98 s ALA 88 Cb -0.15 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3i98 s ALA 88 CO 0.07 0.30 0.17 0.50 0.00 0.00 0.00 175.76 176.80 3i98 s ARG 89 N -0.61 3.87 0.20 0.00 3.52 0.72 -1.20 118.95 125.45 3i98 s ARG 89 Ca 0.05 -0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 54.98 3i98 s ARG 89 Cb -0.07 -3.60 -0.09 0.00 -1.56 0.00 0.00 34.95 29.64 3i98 s ARG 89 CO 0.00 -0.19 1.38 -2.14 -0.81 0.00 0.00 175.30 173.53 3i98 s PRO 90 N 1.73 4.33 0.00 5.12 0.02 -1.26 -1.54 135.00 143.40 3i98 s PRO 90 Ca 0.07 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.24 3i98 s PRO 90 Cb -0.16 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3i98 s PRO 90 CO 0.09 -0.35 0.36 0.44 -0.33 0.00 0.00 177.00 177.21 3i98 n ILE 91 N 2.84 0.00 -0.74 2.83 -5.35 0.42 -4.87 119.36 114.49 3i98 n ILE 91 Ca 0.08 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 3i98 n ILE 91 Cb 0.42 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.50 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 0.07 -1.68 3.21 3.28 0.00 -1.09 -1.45 105.19 107.54 3i98 n GLY 92 Ca 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.22 -0.03 -0.21 -0.61 2.07 -0.71 -0.40 121.20 119.10 3i98 s ILE 93 Ca 0.00 0.10 -0.20 0.00 -1.41 0.00 0.00 60.65 59.14 3i98 s ILE 93 Cb 0.00 -0.53 -0.03 0.00 0.13 0.00 0.00 42.46 42.03 3i98 s ILE 93 CO 0.00 0.04 0.59 -0.32 -1.91 0.00 0.00 174.94 173.34 3i98 s MET 94 N 1.20 4.18 -0.29 3.50 -2.45 0.46 -0.28 119.30 125.63 3i98 s MET 94 Ca -0.08 0.53 -0.15 0.00 -1.25 0.00 0.00 55.69 54.73 3i98 s MET 94 Cb -0.08 -3.59 -0.03 0.00 1.25 0.00 0.00 34.83 32.38 3i98 s MET 94 CO -0.10 -0.24 0.37 0.15 1.05 0.00 0.00 175.02 176.26 3i98 s LYS 95 N 1.92 3.91 0.02 4.11 1.02 0.21 -1.48 119.74 129.45 3i98 s LYS 95 Ca 0.26 -0.07 -0.17 0.00 0.02 0.00 0.00 55.97 56.01 3i98 s LYS 95 Cb -0.16 -3.69 0.03 0.00 -0.52 0.00 0.00 37.83 33.49 3i98 s LYS 95 CO 0.10 -0.34 0.39 0.00 -0.92 0.00 0.00 175.35 174.57 3i98 s MET 96 N 2.07 0.85 -0.06 1.68 0.23 -1.26 -0.19 119.30 122.61 3i98 s MET 96 Ca 0.14 -0.30 0.02 0.00 -1.03 0.00 0.00 55.69 54.53 3i98 s MET 96 Cb -0.16 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.49 3i98 s MET 96 CO 0.11 -0.27 -0.12 -1.21 -2.03 0.00 0.00 175.02 171.50 3i98 s GLU 97 N -2.09 2.65 -0.25 3.16 2.02 0.04 -1.13 118.70 123.09 3i98 s GLU 97 Ca -0.08 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.28 3i98 s GLU 97 Cb -0.02 -2.47 0.06 0.00 0.10 0.00 0.00 34.13 31.81 3i98 s GLU 97 CO 0.00 0.61 -0.07 0.34 0.02 0.00 0.00 175.26 176.16 3i98 s ASP 98 N -0.67 4.20 -1.45 -0.19 -1.08 -0.39 -0.64 116.67 116.44 3i98 s ASP 98 Ca 0.10 -1.35 -0.08 0.00 -0.52 0.00 0.00 52.55 50.70 3i98 s ASP 98 Cb -0.11 -1.38 0.05 0.00 -1.46 0.00 0.00 42.92 40.02 3i98 s ASP 98 CO 0.01 -0.23 0.84 -1.20 0.52 0.00 0.00 175.17 175.12 3i98 n SER 99 N 4.53 -3.18 0.00 -0.34 7.64 -0.93 -1.81 113.62 119.53 3i98 n SER 99 Ca -0.12 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 58.95 3i98 n SER 99 Cb 0.43 -3.85 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 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 -1.67 0.93 3.77 0.23 0.00 -1.26 -5.02 105.19 102.17 3i98 n GLY 100 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.96 5.95 -0.38 1.61 1.01 -0.75 -5.05 116.67 116.10 3i98 s ASP 101 Ca 0.00 0.29 -0.28 0.00 0.71 0.00 0.00 52.55 53.27 3i98 s ASP 101 Cb 0.00 -1.91 -0.02 0.00 1.01 0.00 0.00 42.92 42.01 3i98 s ASP 101 CO 0.00 0.33 1.78 -0.75 0.21 0.00 0.00 175.17 176.74 3i98 s LYS 102 N -0.58 3.24 -0.43 8.23 2.20 -1.26 -1.26 119.74 129.88 3i98 s LYS 102 Ca 0.12 1.25 0.06 0.00 -0.36 0.00 0.00 55.97 57.04 3i98 s LYS 102 Cb -0.12 -4.21 0.42 0.00 -1.51 0.00 0.00 37.83 32.41 3i98 s LYS 102 CO 0.02 -1.98 1.09 -3.47 -0.36 0.00 0.00 175.35 170.66 3i98 n ASP 103 N 10.57 4.35 -4.79 1.43 2.03 -0.28 -3.95 116.55 125.91 3i98 n ASP 103 Ca 0.22 -3.61 -0.33 0.00 0.52 0.00 0.00 54.79 51.59 3i98 n ASP 103 Cb 0.48 -0.47 0.02 0.00 -0.72 0.00 0.00 41.12 40.43 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 -3.49 2.80 -0.03 -0.67 0.52 -1.25 -4.47 118.94 112.35 3i98 s TRP 104 Ca 0.46 1.53 0.00 0.00 0.02 0.00 0.00 56.10 58.12 3i98 s TRP 104 Cb 0.40 -3.11 0.03 0.00 -1.15 0.00 0.00 33.47 29.64 3i98 s TRP 104 CO -0.16 -1.40 0.00 0.15 0.02 0.00 0.00 176.95 175.56 3i98 s LYS 105 N -3.96 0.26 0.25 4.98 1.02 -0.55 -4.46 119.74 117.29 3i98 s LYS 105 Ca 0.66 0.08 -0.30 0.00 0.02 0.00 0.00 55.97 56.44 3i98 s LYS 105 Cb -0.19 -0.45 -0.09 0.00 -0.52 0.00 0.00 37.83 36.59 3i98 s LYS 105 CO 0.37 -0.13 1.16 0.08 -0.92 0.00 0.00 175.35 175.91 3i98 s VAL 106 N 0.98 3.42 -0.16 3.17 1.01 -0.66 -0.40 120.40 127.75 3i98 s VAL 106 Ca -0.10 1.34 -0.07 0.00 0.00 0.00 0.00 61.98 63.16 3i98 s VAL 106 Cb -0.13 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3i98 s VAL 106 CO -0.02 0.29 0.08 -0.22 0.00 0.00 0.00 175.10 175.23 3i98 s LEU 107 N -1.09 3.96 0.10 3.92 2.96 0.47 -0.47 118.68 128.53 3i98 s LEU 107 Ca 0.48 0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 54.51 3i98 s LEU 107 Cb -0.33 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 3i98 s LEU 107 CO 0.41 0.26 0.18 0.00 -1.32 0.00 0.00 176.35 175.88 3i98 s ALA 108 N -0.13 -0.06 0.18 5.97 0.00 0.25 -0.44 121.76 127.52 3i98 s ALA 108 Ca 0.08 -0.76 0.10 0.00 0.00 0.00 0.00 51.96 51.37 3i98 s ALA 108 Cb -0.12 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 3i98 s ALA 108 CO 0.01 -0.52 -0.21 0.14 0.00 0.00 0.00 175.76 175.18 3i98 s VAL 109 N -3.90 2.09 0.23 0.00 -7.23 -0.59 -1.75 120.40 109.25 3i98 s VAL 109 Ca 0.08 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 3i98 s VAL 109 Cb 0.05 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 3i98 s VAL 109 CO -0.08 -0.22 1.00 -2.16 -0.31 0.00 0.00 175.10 173.32 3i98 s PRO 110 N -2.75 4.76 0.35 4.82 0.04 -1.26 -0.20 135.00 140.75 3i98 s PRO 110 Ca 0.18 1.59 0.09 0.00 0.04 0.00 0.00 61.00 62.90 3i98 s PRO 110 Cb -0.07 -3.27 0.64 0.00 0.04 0.00 0.00 34.50 31.84 3i98 s PRO 110 CO 0.08 0.36 1.81 0.28 0.04 0.00 0.00 177.00 179.57 3i98 h VAL 111 N 3.32 1.25 -0.66 -0.36 2.07 -1.57 -3.24 116.25 117.06 3i98 h VAL 111 Ca -0.45 -1.20 -0.12 0.00 0.82 0.00 0.00 66.70 65.75 3i98 h VAL 111 Cb 1.21 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 32.42 3i98 h VAL 111 CO 0.69 0.36 0.15 -0.62 0.02 0.00 0.00 177.57 178.16 3i98 n GLU 112 N -4.13 4.26 -4.05 1.57 -0.58 -1.26 -4.69 120.64 111.77 3i98 n GLU 112 Ca -0.01 -3.08 -0.33 0.00 -0.42 0.00 0.00 57.16 53.32 3i98 n GLU 112 Cb 0.39 -2.24 -0.15 0.00 -0.57 0.00 0.00 31.44 28.87 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 -0.88 4.37 0.27 1.62 -1.08 -1.22 -4.99 116.67 114.75 3i98 s ASP 113 Ca 0.54 -1.28 0.22 0.00 -0.52 0.00 0.00 52.55 51.52 3i98 s ASP 113 Cb 0.43 -1.57 1.02 0.00 -1.46 0.00 0.00 42.92 41.33 3i98 s ASP 113 CO 0.15 -0.18 1.66 -0.81 0.52 0.00 0.00 175.17 176.51 3i98 n PRO 114 N 4.49 0.16 -0.13 4.34 -0.04 -1.26 -1.98 135.00 140.58 3i98 n PRO 114 Ca -0.15 0.51 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 3i98 n PRO 114 Cb 0.43 -1.89 0.48 0.00 -0.04 0.00 0.00 33.50 32.48 3i98 n PRO 114 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3i98 h TYR 115 N 0.00 0.51 -0.61 0.54 5.03 -1.95 -2.44 116.97 118.06 3i98 h TYR 115 Ca 0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 3i98 h TYR 115 Cb 0.20 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.32 3i98 h TYR 115 CO 0.00 0.23 0.00 1.19 -1.32 0.00 0.00 178.16 178.26 3i98 n PHE 116 N -4.48 1.24 -0.30 -3.82 3.01 -0.84 -4.61 117.46 107.66 3i98 n PHE 116 Ca 0.12 -0.59 0.14 0.00 1.01 0.00 0.00 57.45 58.12 3i98 n PHE 116 Cb 0.41 -0.17 0.39 0.00 -0.01 0.00 0.00 39.48 40.09 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 3.76 0.64 -0.47 4.37 2.35 -1.58 -0.79 115.58 123.87 3i98 h ASN 117 Ca 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3i98 h ASN 117 Cb 1.28 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3i98 h ASN 117 CO 0.16 0.28 0.00 0.47 -1.65 0.00 0.00 177.43 176.68 3i98 n ASP 118 N -4.61 2.93 -4.56 5.81 8.00 -1.26 -4.79 116.55 118.06 3i98 n ASP 118 Ca 0.20 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 53.32 3i98 n ASP 118 Cb 0.57 -0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.38 3.07 0.00 1.24 0.52 -0.30 -4.82 118.94 117.27 3i98 s TRP 119 Ca 0.37 0.31 0.00 0.00 0.02 0.00 0.00 56.10 56.80 3i98 s TRP 119 Cb 0.20 -3.43 0.00 0.00 -1.15 0.00 0.00 33.47 29.09 3i98 s TRP 119 CO 0.27 -0.82 0.00 1.63 0.02 0.00 0.00 176.95 178.06 3i98 n LYS 120 N 6.43 3.01 -4.04 4.98 5.02 -1.26 -4.97 118.16 127.33 3i98 n LYS 120 Ca 0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 3i98 n LYS 120 Cb 0.48 -0.35 -0.07 0.00 -0.02 0.00 0.00 35.03 35.08 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 -0.51 0.00 0.48 4.39 -1.08 -1.26 -4.69 116.67 114.01 3i98 s ASP 121 Ca 0.00 -1.03 0.14 0.00 -0.52 0.00 0.00 52.55 51.14 3i98 s ASP 121 Cb 0.00 0.49 1.13 0.00 -1.46 0.00 0.00 42.92 43.08 3i98 s ASP 121 CO 0.00 -1.00 2.09 -0.29 0.52 0.00 0.00 175.17 176.49 3i98 h ILE 122 N 2.42 1.06 0.00 4.11 6.09 -1.57 -1.41 117.51 128.21 3i98 h ILE 122 Ca -0.30 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 3i98 h ILE 122 Cb 1.24 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.58 3i98 h ILE 122 CO 0.43 0.07 0.00 -1.54 -3.07 0.00 0.00 178.15 174.04 3i98 n SER 123 N -4.46 0.02 -0.06 2.19 3.41 -1.26 -2.42 113.62 111.05 3i98 n SER 123 Ca -0.02 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 3i98 n SER 123 Cb 0.14 -0.51 0.39 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.53 0.50 -4.76 4.04 8.00 -0.53 -4.86 116.55 117.41 3i98 n ASP 124 Ca 0.03 -0.28 -0.38 0.00 0.71 0.00 0.00 54.79 54.86 3i98 n ASP 124 Cb 0.14 0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.84 5.04 0.28 2.53 1.01 -1.01 -4.98 120.40 120.43 3i98 s VAL 125 Ca 0.16 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 3i98 s VAL 125 Cb 0.18 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.60 3i98 s VAL 125 CO 0.61 0.42 1.47 -2.65 0.00 0.00 0.00 175.10 174.95 3i98 n PRO 126 N 2.91 2.36 -0.27 2.72 -0.02 -1.26 -4.87 135.00 136.57 3i98 n PRO 126 Ca -0.08 0.84 0.06 0.00 -2.02 0.00 0.00 63.50 62.29 3i98 n PRO 126 Cb 0.51 -2.54 0.20 0.00 -0.02 0.00 0.00 33.50 31.65 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 4.13 0.49 -0.08 -0.52 3.64 -1.95 -0.83 116.57 121.44 3i98 h LYS 127 Ca -0.46 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 3i98 h LYS 127 Cb 1.25 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3i98 h LYS 127 CO 0.75 0.32 -0.03 0.00 -2.27 0.00 0.00 179.45 178.21 3i98 h ALA 128 N 1.54 1.79 -0.07 5.00 0.00 -1.99 -1.18 119.26 124.35 3i98 h ALA 128 Ca 0.43 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 3i98 h ALA 128 Cb 0.62 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3i98 h ALA 128 CO -0.38 0.16 -0.56 0.35 0.00 0.00 0.00 179.25 178.82 3i98 h PHE 129 N 0.12 0.70 -0.81 0.00 3.57 -1.51 -1.54 116.94 117.46 3i98 h PHE 129 Ca 0.03 -0.33 0.04 0.00 3.53 0.00 0.00 57.97 61.24 3i98 h PHE 129 Cb 0.15 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 3i98 h PHE 129 CO 0.00 1.12 0.51 -0.07 -2.23 0.00 0.00 178.31 177.65 3i98 h LEU 130 N 0.08 0.84 -0.86 0.59 3.38 -1.25 -2.03 115.31 116.06 3i98 h LEU 130 Ca -0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3i98 h LEU 130 Cb 1.22 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3i98 h LEU 130 CO 0.11 0.57 0.57 0.44 0.09 0.00 0.00 178.44 180.23 3i98 h ASP 131 N 0.99 0.99 -0.10 -0.43 3.32 -1.12 -1.54 116.42 118.53 3i98 h ASP 131 Ca 0.33 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.24 3i98 h ASP 131 Cb 0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3i98 h ASP 131 CO -0.12 0.71 -0.32 1.05 -1.72 0.00 0.00 179.24 178.84 3i98 h GLU 132 N 1.16 0.58 -0.14 3.56 4.11 -0.86 0.53 114.58 123.53 3i98 h GLU 132 Ca 0.32 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 59.47 3i98 h GLU 132 Cb -0.13 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3i98 h GLU 132 CO -0.07 0.83 -0.01 0.82 0.07 0.00 0.00 179.01 180.65 3i98 h ILE 133 N 0.50 1.26 -0.89 -1.06 2.04 -1.12 -1.88 117.51 116.35 3i98 h ILE 133 Ca 0.06 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 3i98 h ILE 133 Cb 0.80 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 3i98 h ILE 133 CO 0.07 0.25 0.54 0.00 0.00 0.00 0.00 178.15 179.01 3i98 h ALA 134 N 0.75 1.14 -0.71 1.87 0.00 -1.13 -2.49 119.26 118.69 3i98 h ALA 134 Ca 0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3i98 h ALA 134 Cb 0.38 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3i98 h ALA 134 CO 0.01 0.60 0.20 1.25 0.00 0.00 0.00 179.25 181.31 3i98 h HIS 135 N 1.23 1.17 -0.04 0.00 -0.00 -0.82 0.87 115.15 117.56 3i98 h HIS 135 Ca 0.32 -0.13 0.03 0.00 -0.00 0.00 0.00 60.37 60.60 3i98 h HIS 135 Cb -0.05 -0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 26.98 3i98 h HIS 135 CO 0.00 0.93 -0.21 0.35 -0.00 0.00 0.00 177.93 179.00 3i98 h PHE 136 N 1.06 -0.56 0.00 5.26 3.57 -1.01 -1.97 116.94 123.29 3i98 h PHE 136 Ca 0.23 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 3i98 h PHE 136 Cb 0.33 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3i98 h PHE 136 CO 0.03 -0.29 -0.22 0.74 -2.23 0.00 0.00 178.31 176.34 3i98 h PHE 137 N -0.31 0.00 -0.19 0.41 0.04 -1.17 0.36 116.94 116.08 3i98 h PHE 137 Ca 0.07 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.72 3i98 h PHE 137 Cb 0.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 3i98 h PHE 137 CO -0.27 0.22 -0.39 0.37 -0.60 0.00 0.00 178.31 177.63 3i98 h GLN 138 N 0.00 0.42 -0.00 1.51 4.15 -0.37 -3.37 115.11 117.44 3i98 h GLN 138 Ca -0.00 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.22 3i98 h GLN 138 Cb 0.76 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.45 3i98 h GLN 138 CO 0.03 0.74 -0.11 0.54 -1.93 0.00 0.00 178.83 178.10 3i98 n ARG 139 N -4.04 4.58 0.25 1.69 5.12 -0.78 -4.56 116.66 118.92 3i98 n ARG 139 Ca -0.01 -0.15 0.16 0.00 -1.93 0.00 0.00 57.85 55.92 3i98 n ARG 139 Cb 0.49 -0.74 0.67 0.00 -1.16 0.00 0.00 32.46 31.72 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 0.15 0.00 -0.35 -1.55 -0.00 -1.10 -1.91 116.97 112.21 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 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.82 3i98 h TYR 140 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 3i98 n LYS 141 N -2.91 2.98 -0.30 0.10 5.02 -1.26 -4.57 118.16 117.23 3i98 n LYS 141 Ca 0.01 -2.41 0.01 0.00 -2.02 0.00 0.00 58.31 53.90 3i98 n LYS 141 Cb 0.28 -1.53 0.14 0.00 -0.02 0.00 0.00 35.03 33.90 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 2.18 0.88 0.00 1.97 4.81 -1.53 -1.07 114.58 121.81 3i98 h GLU 142 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3i98 h GLU 142 Cb 1.05 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.23 3i98 h GLU 142 CO 0.10 0.58 0.00 1.28 -0.73 0.00 0.00 179.01 180.24 3i98 n LEU 143 N -4.66 0.10 -0.49 1.64 4.77 -1.26 -1.46 117.00 115.63 3i98 n LEU 143 Ca 0.12 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 3i98 n LEU 143 Cb 0.19 -0.49 0.47 0.00 -2.33 0.00 0.00 43.42 41.26 3i98 n LEU 143 CO 0.30 -0.11 0.83 0.00 -1.33 0.00 0.00 177.39 177.08 3i98 n GLN 144 N -1.60 1.67 -0.97 3.23 6.02 -0.42 -4.92 117.38 120.39 3i98 n GLN 144 Ca 0.06 -0.99 0.00 0.00 -0.01 0.00 0.00 57.00 56.06 3i98 n GLN 144 Cb 0.29 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.12 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 1.14 0.70 3.84 1.08 0.00 -0.54 -5.02 105.19 106.39 3i98 n GLY 145 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.03 4.10 -0.14 1.61 -0.14 -1.12 -5.03 119.74 118.98 3i98 s LYS 146 Ca 0.00 0.77 -0.03 0.00 -1.36 0.00 0.00 55.97 55.35 3i98 s LYS 146 Cb 0.00 -2.54 -0.03 0.00 -1.68 0.00 0.00 37.83 33.58 3i98 s LYS 146 CO 0.00 0.21 -0.05 0.99 -0.76 0.00 0.00 175.35 175.74 3i98 s THR 147 N -1.86 3.77 0.04 2.17 2.01 -1.26 -4.33 115.64 116.19 3i98 s THR 147 Ca 0.52 -0.41 0.09 0.00 0.31 0.00 0.00 61.69 62.20 3i98 s THR 147 Cb -0.12 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 3i98 s THR 147 CO 0.18 0.51 -0.25 0.42 -0.69 0.00 0.00 174.62 174.79 3i98 s THR 148 N 0.24 2.27 -0.17 -0.82 -4.23 -1.26 -2.19 115.64 109.48 3i98 s THR 148 Ca -0.04 -1.35 -0.00 0.00 -1.18 0.00 0.00 61.69 59.13 3i98 s THR 148 Cb -0.14 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.80 3i98 s THR 148 CO 0.03 0.36 -0.15 -0.75 -0.54 0.00 0.00 174.62 173.57 3i98 s LYS 149 N -1.27 3.16 -0.23 3.99 2.47 0.18 -4.91 119.74 123.14 3i98 s LYS 149 Ca 0.12 -0.76 -0.16 0.00 -1.56 0.00 0.00 55.97 53.61 3i98 s LYS 149 Cb -0.10 -2.66 -0.04 0.00 -1.46 0.00 0.00 37.83 33.57 3i98 s LYS 149 CO 0.03 -0.09 0.41 0.42 0.16 0.00 0.00 175.35 176.28 3i98 s ILE 150 N 1.08 5.17 -0.78 5.43 -1.09 -1.26 -0.78 121.20 128.97 3i98 s ILE 150 Ca -0.00 0.71 0.17 0.00 -2.23 0.00 0.00 60.65 59.30 3i98 s ILE 150 Cb -0.14 -3.74 -0.20 0.00 -1.58 0.00 0.00 42.46 36.80 3i98 s ILE 150 CO -0.05 0.20 0.72 -0.62 -1.23 0.00 0.00 174.94 173.97 3i98 n GLU 151 N 4.84 1.16 0.00 2.79 1.02 0.73 -4.99 120.64 126.19 3i98 n GLU 151 Ca -0.08 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3i98 n GLU 151 Cb 0.51 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 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 1.42 0.57 3.36 0.62 0.00 -1.17 -4.95 105.19 105.04 3i98 n GLY 152 Ca 0.03 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.88 2.51 0.30 1.61 0.52 -1.26 -0.62 118.94 121.13 3i98 s TRP 153 Ca 0.00 -0.45 0.07 0.00 0.02 0.00 0.00 56.10 55.74 3i98 s TRP 153 Cb 0.00 -1.59 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 3i98 s TRP 153 CO 0.00 -0.03 0.34 0.20 0.02 0.00 0.00 176.95 177.47 3i98 s GLY 154 N -0.45 1.55 0.53 0.98 0.00 0.61 -4.95 107.32 105.60 3i98 s GLY 154 Ca 0.05 -1.48 -0.04 0.00 0.00 0.00 0.00 44.72 43.25 3i98 s GLY 154 CO 0.01 -1.44 0.73 1.16 0.00 0.00 0.00 173.10 173.56 3i98 n ASN 155 N -1.42 0.55 -0.34 1.64 0.23 -1.26 -1.73 115.26 112.94 3i98 n ASN 155 Ca -0.04 -1.57 -0.03 0.00 -0.53 0.00 0.00 54.58 52.42 3i98 n ASN 155 Cb 0.58 -0.51 0.11 0.00 -2.08 0.00 0.00 39.78 37.88 3i98 n ASN 155 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i98 h ALA 156 N -1.07 1.22 -0.51 -2.53 0.00 -1.85 -1.24 119.26 113.27 3i98 h ALA 156 Ca -0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3i98 h ALA 156 Cb 0.78 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3i98 h ALA 156 CO 0.22 0.66 0.23 0.93 0.00 0.00 0.00 179.25 181.29 3i98 h GLU 157 N 1.27 0.75 -0.66 0.00 3.07 -1.93 -0.51 114.58 116.56 3i98 h GLU 157 Ca 0.33 -0.12 -0.06 0.00 -0.50 0.00 0.00 59.36 59.01 3i98 h GLU 157 Cb -0.03 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.72 3i98 h GLU 157 CO -0.06 0.63 0.18 1.49 -1.40 0.00 0.00 179.01 179.85 3i98 h GLU 158 N 0.69 1.05 -0.40 2.33 4.81 -1.82 -1.46 114.58 119.78 3i98 h GLU 158 Ca 0.17 -0.24 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3i98 h GLU 158 Cb 0.14 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3i98 h GLU 158 CO -0.02 0.93 0.19 0.00 -0.73 0.00 0.00 179.01 179.38 3i98 h ALA 159 N 1.07 0.50 -0.37 2.92 0.00 -0.79 -2.02 119.26 120.57 3i98 h ALA 159 Ca 0.21 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3i98 h ALA 159 Cb 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3i98 h ALA 159 CO -0.00 -0.18 -0.13 0.87 0.00 0.00 0.00 179.25 179.81 3i98 h LYS 160 N 0.39 0.66 -0.55 0.00 1.57 -0.76 -1.26 116.57 116.61 3i98 h LYS 160 Ca 0.17 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3i98 h LYS 160 Cb 0.10 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3i98 h LYS 160 CO -0.13 0.77 0.33 0.00 -0.57 0.00 0.00 179.45 179.84 3i98 h ARG 161 N 0.60 0.75 -0.38 3.15 3.08 -1.04 -2.16 114.38 118.38 3i98 h ARG 161 Ca 0.10 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 3i98 h ARG 161 Cb 0.57 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3i98 h ARG 161 CO 0.04 0.54 -0.08 0.93 -1.07 0.00 0.00 179.97 180.33 3i98 h GLU 162 N 0.74 0.64 -0.38 0.04 4.39 -0.91 -1.64 114.58 117.46 3i98 h GLU 162 Ca 0.20 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3i98 h GLU 162 Cb -0.02 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3i98 h GLU 162 CO -0.04 0.71 0.22 0.82 -1.16 0.00 0.00 179.01 179.57 3i98 h ILE 163 N 0.59 1.13 -0.80 3.13 2.04 -0.96 0.21 117.51 122.85 3i98 h ILE 163 Ca 0.11 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.67 3i98 h ILE 163 Cb 0.49 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 3i98 h ILE 163 CO 0.03 0.13 0.51 -0.07 0.00 0.00 0.00 178.15 178.76 3i98 h LEU 164 N 0.49 0.86 -0.86 1.44 3.38 -1.15 -0.30 115.31 119.17 3i98 h LEU 164 Ca 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3i98 h LEU 164 Cb 0.03 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3i98 h LEU 164 CO -0.02 0.60 0.48 -0.09 0.09 0.00 0.00 178.44 179.50 3i98 h ARG 165 N 1.01 1.19 0.00 1.13 2.43 -0.87 -1.93 114.38 117.34 3i98 h ARG 165 Ca 0.31 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 59.23 3i98 h ARG 165 Cb -0.02 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.28 3i98 h ARG 165 CO -0.10 0.86 -0.60 0.00 -1.51 0.00 0.00 179.97 178.62 3i98 h ALA 166 N 1.26 0.99 -0.31 2.80 0.00 -0.22 -1.10 119.26 122.68 3i98 h ALA 166 Ca 0.30 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 3i98 h ALA 166 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3i98 h ALA 166 CO -0.05 0.75 -0.43 0.82 0.00 0.00 0.00 179.25 180.34 3i98 h ILE 167 N 0.00 1.29 -0.35 0.00 2.04 -0.76 -1.72 117.51 118.01 3i98 h ILE 167 Ca -0.01 -1.61 -0.11 0.00 1.00 0.00 0.00 64.86 64.13 3i98 h ILE 167 Cb 1.07 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 3i98 h ILE 167 CO 0.08 0.52 -0.21 -0.33 0.00 0.00 0.00 178.15 178.21 3i98 h GLU 168 N 0.63 0.77 -0.65 2.37 5.08 -1.16 -2.88 114.58 118.74 3i98 h GLU 168 Ca 0.04 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 58.08 3i98 h GLU 168 Cb 0.99 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 3i98 h GLU 168 CO 0.09 0.98 0.43 0.52 -1.00 0.00 0.00 179.01 180.03 3i98 h MET 169 N 0.55 0.77 -0.27 2.33 2.86 -1.13 -2.14 114.93 117.91 3i98 h MET 169 Ca 0.07 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3i98 h MET 169 Cb 0.77 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3i98 h MET 169 CO 0.06 0.51 0.05 -0.92 1.06 0.00 0.00 176.91 177.67 3i98 h TYR 170 N 0.79 0.46 -0.69 -0.22 5.03 -1.33 -2.26 116.97 118.75 3i98 h TYR 170 Ca 0.25 -0.06 0.05 0.00 2.58 0.00 0.00 58.73 61.55 3i98 h TYR 170 Cb 0.04 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.15 3i98 h TYR 170 CO -0.00 0.53 0.46 0.87 -1.32 0.00 0.00 178.16 178.70 3i98 h LYS 171 N 0.26 0.76 0.05 1.82 1.57 -1.20 -1.37 116.57 118.45 3i98 h LYS 171 Ca 0.08 -0.05 -0.25 0.00 -1.87 0.00 0.00 60.65 58.57 3i98 h LYS 171 Cb 0.31 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.46 3i98 h LYS 171 CO 0.00 0.50 -1.05 1.05 -0.57 0.00 0.00 179.45 179.38 3i98 h GLU 172 N 0.78 0.40 0.04 3.15 4.11 -1.22 -2.65 114.58 119.19 3i98 h GLU 172 Ca 0.29 -0.49 -0.22 0.00 0.07 0.00 0.00 59.36 59.00 3i98 h GLU 172 Cb 0.15 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3i98 h GLU 172 CO -0.09 1.17 -1.00 -0.22 0.07 0.00 0.00 179.01 178.94 3i98 h LYS 173 N 0.20 0.22 0.00 1.06 3.64 -1.15 -3.42 116.57 117.10 3i98 h LYS 173 Ca -0.11 -0.28 -0.07 0.00 -1.27 0.00 0.00 60.65 58.92 3i98 h LYS 173 Cb 1.72 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.62 3i98 h LYS 173 CO 0.18 1.05 -0.92 1.19 -2.27 0.00 0.00 179.45 178.68 3i98 n PHE 174 N -3.60 0.00 0.00 1.91 3.72 -0.54 -5.11 117.46 113.84 3i98 n PHE 174 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3i98 n PHE 174 Cb 0.88 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 3i98 n PHE 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12