#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i70 s PRO 3 N 0.00 4.56 0.17 0.00 0.04 -1.26 -4.96 135.00 133.55 3i70 s PRO 3 Ca 0.00 1.24 0.09 0.00 0.04 0.00 0.00 61.00 62.37 3i70 s PRO 3 Cb 0.00 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 3i70 s PRO 3 CO 0.00 0.38 -0.19 -1.21 0.04 0.00 0.00 177.00 176.02 3i70 s GLU 4 N -1.79 1.31 0.55 4.56 0.41 -1.26 -4.77 118.70 117.71 3i70 s GLU 4 Ca 0.45 -1.42 -0.16 0.00 -0.41 0.00 0.00 54.97 53.44 3i70 s GLU 4 Cb -0.20 -1.41 -0.06 0.00 -1.78 0.00 0.00 34.13 30.68 3i70 s GLU 4 CO 0.25 0.29 1.01 1.03 -0.49 0.00 0.00 175.26 177.35 3i70 s ARG 5 N -2.77 3.74 0.29 1.61 1.81 -1.26 -4.98 118.95 117.39 3i70 s ARG 5 Ca 0.16 0.99 -0.30 0.00 -1.72 0.00 0.00 55.73 54.86 3i70 s ARG 5 Cb -0.06 -2.10 -0.12 0.00 -0.45 0.00 0.00 34.95 32.21 3i70 s ARG 5 CO 0.07 -0.45 1.47 -0.85 -0.68 0.00 0.00 175.30 174.86 3i70 n GLU 6 N -1.86 2.38 -0.44 3.54 0.28 -1.26 -4.76 120.64 118.52 3i70 n GLU 6 Ca 0.07 0.84 0.36 0.00 -0.16 0.00 0.00 57.16 58.28 3i70 n GLU 6 Cb 0.54 -2.55 0.65 0.00 1.43 0.00 0.00 31.44 31.51 3i70 n GLU 6 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3i70 h LEU 7 N 4.00 0.25 -0.64 -1.84 5.85 -1.99 0.96 115.31 121.91 3i70 h LEU 7 Ca -0.47 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 3i70 h LEU 7 Cb 1.25 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 3i70 h LEU 7 CO 0.73 -0.17 -0.01 -0.61 -0.34 0.00 0.00 178.44 178.05 3i70 h GLN 8 N 0.10 1.06 -0.02 1.25 4.15 -2.00 -1.18 115.11 118.47 3i70 h GLN 8 Ca 0.81 -0.34 -0.16 0.00 0.77 0.00 0.00 58.65 59.73 3i70 h GLN 8 Cb 2.53 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 30.11 3i70 h GLN 8 CO -0.41 1.04 -0.72 -0.09 -1.93 0.00 0.00 178.83 176.72 3i70 h ARG 9 N 0.97 0.11 -0.45 1.69 2.43 -1.17 -2.62 114.38 115.33 3i70 h ARG 9 Ca 0.17 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 3i70 h ARG 9 Cb 0.56 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3i70 h ARG 9 CO 0.03 0.78 -0.19 0.00 -1.51 0.00 0.00 179.97 179.09 3i70 h ARG 10 N 0.07 0.89 -0.21 0.20 3.08 -1.15 -1.25 114.38 116.02 3i70 h ARG 10 Ca -0.02 -0.35 -0.10 0.00 0.07 0.00 0.00 59.98 59.58 3i70 h ARG 10 Cb 1.27 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 3i70 h ARG 10 CO 0.10 1.00 -0.31 1.49 -1.07 0.00 0.00 179.97 181.18 3i70 h GLU 11 N 0.78 0.42 0.30 0.04 4.22 -1.15 -3.18 114.58 116.00 3i70 h GLU 11 Ca 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 3i70 h GLU 11 Cb 0.73 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3i70 h GLU 11 CO 0.06 0.69 -0.14 0.93 -2.18 0.00 0.00 179.01 178.36 3i70 h GLU 12 N 0.36 -0.39 -1.00 1.92 4.39 -1.07 -3.20 114.58 115.59 3i70 h GLU 12 Ca 0.05 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3i70 h GLU 12 Cb 0.73 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3i70 h GLU 12 CO 0.06 -0.12 0.00 0.39 -1.16 0.00 0.00 179.01 178.18 3i70 n GLU 13 N -5.17 0.99 -3.63 2.33 1.02 -0.51 -4.65 120.64 111.02 3i70 n GLU 13 Ca -0.10 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 3i70 n GLU 13 Cb 0.24 -1.24 -0.15 0.00 -0.02 0.00 0.00 31.44 30.27 3i70 n GLU 13 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i70 s ALA 14 N -0.47 -0.20 -1.70 0.62 0.00 -1.21 -4.94 121.76 113.86 3i70 s ALA 14 Ca 0.00 0.52 0.28 0.00 0.00 0.00 0.00 51.96 52.76 3i70 s ALA 14 Cb 0.00 -0.94 1.07 0.00 0.00 0.00 0.00 23.12 23.25 3i70 s ALA 14 CO 0.00 -0.71 1.76 0.09 0.00 0.00 0.00 175.76 176.90 3i70 n ASN 15 N 5.33 0.66 -3.74 0.00 3.02 -1.22 -4.79 115.26 114.52 3i70 n ASN 15 Ca -0.05 -0.69 -0.14 0.00 -0.03 0.00 0.00 54.58 53.67 3i70 n ASN 15 Cb 0.50 -0.01 -0.14 0.00 -0.61 0.00 0.00 39.78 39.52 3i70 n ASN 15 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i70 s VAL 16 N -2.47 -0.05 -0.10 2.41 1.01 -0.71 -3.55 120.40 116.95 3i70 s VAL 16 Ca 0.28 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 3i70 s VAL 16 Cb 0.20 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.36 3i70 s VAL 16 CO 0.49 0.08 -0.06 -0.69 0.00 0.00 0.00 175.10 174.91 3i70 s VAL 17 N 1.21 0.85 0.24 2.92 1.01 -0.37 -0.53 120.40 125.72 3i70 s VAL 17 Ca -0.09 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3i70 s VAL 17 Cb -0.12 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 3i70 s VAL 17 CO -0.06 0.33 0.12 -1.48 0.00 0.00 0.00 175.10 174.01 3i70 s LEU 18 N 1.65 1.42 0.04 3.92 0.05 -0.72 0.83 118.68 125.88 3i70 s LEU 18 Ca 0.03 -1.41 0.07 0.00 0.05 0.00 0.00 54.13 52.87 3i70 s LEU 18 Cb -0.13 0.21 -0.03 0.00 -2.05 0.00 0.00 46.19 44.20 3i70 s LEU 18 CO -0.06 -0.80 -0.21 0.42 -0.55 0.00 0.00 176.35 175.15 3i70 s THR 19 N -3.92 1.67 -0.05 5.48 -4.23 -0.61 0.33 115.64 114.32 3i70 s THR 19 Ca 0.38 -1.20 -0.29 0.00 -1.18 0.00 0.00 61.69 59.40 3i70 s THR 19 Cb 0.07 -1.46 0.10 0.00 1.34 0.00 0.00 72.50 72.55 3i70 s THR 19 CO 0.14 0.21 1.32 -0.83 -0.54 0.00 0.00 174.62 174.92 3i70 s GLY 20 N -1.17 -0.17 -0.09 3.99 0.00 -1.12 -0.38 107.32 108.38 3i70 s GLY 20 Ca 0.07 0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.91 3i70 s GLY 20 CO 0.02 5.97 -0.11 -1.59 0.00 0.00 0.00 173.10 177.39 3i70 s THR 21 N -2.02 3.31 -0.46 0.90 2.01 -0.37 -2.55 115.64 116.46 3i70 s THR 21 Ca 0.30 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 3i70 s THR 21 Cb -0.00 -2.36 0.03 0.00 0.01 0.00 0.00 72.50 70.18 3i70 s THR 21 CO -0.02 0.56 1.11 -0.69 -0.69 0.00 0.00 174.62 174.89 3i70 s VAL 22 N -0.29 4.26 -0.05 3.82 1.01 -0.24 -0.23 120.40 128.69 3i70 s VAL 22 Ca 0.03 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.23 3i70 s VAL 22 Cb -0.13 -4.57 -0.25 0.00 0.00 0.00 0.00 36.38 31.43 3i70 s VAL 22 CO 0.03 -0.94 0.66 -0.33 0.00 0.00 0.00 175.10 174.51 3i70 h GLU 23 N 9.11 0.16 -2.17 2.72 5.08 -1.50 0.38 114.58 128.36 3i70 h GLU 23 Ca -0.23 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 57.79 3i70 h GLU 23 Cb 1.06 0.10 -0.20 0.00 0.50 0.00 0.00 28.75 30.21 3i70 h GLU 23 CO 1.11 0.93 0.08 -2.00 -1.00 0.00 0.00 179.01 178.13 3i70 s GLU 24 N -2.60 0.88 -0.10 2.33 2.12 -1.18 -4.80 118.70 115.35 3i70 s GLU 24 Ca -0.11 0.54 -0.21 0.00 0.36 0.00 0.00 54.97 55.54 3i70 s GLU 24 Cb 0.07 0.42 -0.04 0.00 0.26 0.00 0.00 34.13 34.85 3i70 s GLU 24 CO 0.82 -0.20 0.61 0.42 -0.54 0.00 0.00 175.26 176.37 3i70 s ILE 25 N -0.45 5.09 0.00 -3.70 1.09 -1.26 -0.60 121.20 121.37 3i70 s ILE 25 Ca -0.06 1.23 0.00 0.00 -1.10 0.00 0.00 60.65 60.73 3i70 s ILE 25 Cb -0.03 -3.95 0.00 0.00 -1.06 0.00 0.00 42.46 37.43 3i70 s ILE 25 CO 0.05 0.26 0.00 0.23 -0.10 0.00 0.00 174.94 175.38 3i70 n MET 26 N 3.94 0.51 -1.01 2.79 2.81 0.26 -4.92 117.12 121.49 3i70 n MET 26 Ca -0.03 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.57 3i70 n MET 26 Cb 0.51 0.00 0.22 0.00 -0.71 0.00 0.00 33.22 33.24 3i70 n MET 26 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3i70 s ASN 27 N -1.00 1.58 0.20 7.83 0.02 -1.26 -4.50 114.94 117.80 3i70 s ASN 27 Ca 0.00 1.01 0.03 0.00 -1.02 0.00 0.00 52.86 52.88 3i70 s ASN 27 Cb 0.00 -1.54 -0.03 0.00 0.02 0.00 0.00 41.25 39.70 3i70 s ASN 27 CO 0.00 -3.76 0.34 -0.69 0.02 0.00 0.00 177.10 173.01 3i70 s VAL 28 N -2.88 5.28 -0.69 1.60 1.01 -1.26 -2.79 120.40 120.67 3i70 s VAL 28 Ca 0.68 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 3i70 s VAL 28 Cb -0.16 -3.79 0.18 0.00 0.00 0.00 0.00 36.38 32.60 3i70 s VAL 28 CO 0.58 -0.21 0.53 -0.62 0.00 0.00 0.00 175.10 175.38 3i70 s ASP 29 N -3.55 5.56 0.37 3.32 3.68 0.29 -4.94 116.67 121.39 3i70 s ASP 29 Ca 0.35 -2.93 0.15 0.00 2.13 0.00 0.00 52.55 52.25 3i70 s ASP 29 Cb -0.10 -1.92 1.01 0.00 -1.45 0.00 0.00 42.92 40.46 3i70 s ASP 29 CO 0.29 -0.38 1.76 1.55 0.13 0.00 0.00 175.17 178.52 3i70 h PRO 30 N 7.04 0.47 0.12 4.34 0.13 -1.97 0.65 132.00 142.76 3i70 h PRO 30 Ca 0.02 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3i70 h PRO 30 Cb 0.95 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3i70 h PRO 30 CO 0.73 0.31 -0.06 0.28 -0.23 0.00 0.00 178.00 179.03 3i70 h VAL 31 N 0.48 1.00 -0.02 1.56 2.07 -1.95 -3.27 116.25 116.11 3i70 h VAL 31 Ca 0.61 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.67 3i70 h VAL 31 Cb 1.38 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3i70 h VAL 31 CO -0.36 0.11 -0.05 1.41 0.02 0.00 0.00 177.57 178.70 3i70 n HIS 32 N -5.06 0.00 -3.32 1.57 8.25 -0.78 -4.98 115.22 110.90 3i70 n HIS 32 Ca -0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.29 3i70 n HIS 32 Cb 0.17 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 3i70 n HIS 32 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3i70 n HIS 33 N 0.86 -2.65 -3.68 4.41 -0.00 0.22 -4.93 115.22 109.46 3i70 n HIS 33 Ca 0.15 1.02 -0.10 0.00 -0.00 0.00 0.00 57.72 58.79 3i70 n HIS 33 Cb 0.52 -3.66 -0.04 0.00 -0.00 0.00 0.00 29.99 26.80 3i70 n HIS 33 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3i70 s THR 34 N -3.01 0.05 0.16 1.59 2.01 -1.15 -4.45 115.64 110.84 3i70 s THR 34 Ca 0.01 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.35 3i70 s THR 34 Cb -0.00 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 3i70 s THR 34 CO 0.80 -0.25 0.03 -0.72 -0.69 0.00 0.00 174.62 173.80 3i70 s TYR 35 N -3.83 1.05 0.33 4.92 -0.85 -0.13 0.10 117.35 118.94 3i70 s TYR 35 Ca 0.06 -1.14 0.10 0.00 -0.52 0.00 0.00 57.07 55.57 3i70 s TYR 35 Cb 0.01 -0.60 -0.06 0.00 0.38 0.00 0.00 41.96 41.70 3i70 s TYR 35 CO -0.09 -0.38 -0.09 -1.12 -1.52 0.00 0.00 175.55 172.36 3i70 s SER 36 N -3.12 3.83 0.01 -0.18 0.01 -1.12 -2.01 113.70 111.12 3i70 s SER 36 Ca 0.25 -1.10 -0.08 0.00 1.31 0.00 0.00 55.95 56.33 3i70 s SER 36 Cb 0.07 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.90 3i70 s SER 36 CO 0.03 -0.15 0.16 0.00 0.41 0.00 0.00 173.24 173.69 3i70 s LYS 38 N -1.51 4.28 -0.05 0.00 2.20 0.23 -1.34 119.74 123.55 3i70 s LYS 38 Ca -0.14 0.61 0.03 0.00 -0.36 0.00 0.00 55.97 56.11 3i70 s LYS 38 Cb -0.07 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 3i70 s LYS 38 CO 0.01 0.34 -0.14 0.08 -0.36 0.00 0.00 175.35 175.28 3i70 s VAL 39 N -0.02 1.22 -0.45 4.02 1.01 0.75 -1.20 120.40 125.72 3i70 s VAL 39 Ca 0.29 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 3i70 s VAL 39 Cb -0.17 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 35.17 3i70 s VAL 39 CO 0.15 0.36 0.66 -0.60 0.00 0.00 0.00 175.10 175.67 3i70 s ARG 40 N 0.27 3.26 0.27 2.72 3.52 0.68 -1.59 118.95 128.09 3i70 s ARG 40 Ca -0.07 -0.43 -0.29 0.00 -0.13 0.00 0.00 55.73 54.80 3i70 s ARG 40 Cb -0.12 -3.98 -0.09 0.00 -1.56 0.00 0.00 34.95 29.20 3i70 s ARG 40 CO 0.02 -1.07 1.24 0.08 -0.81 0.00 0.00 175.30 174.77 3i70 s VAL 41 N 2.87 3.13 -0.07 7.11 1.01 -0.21 -1.24 120.40 133.00 3i70 s VAL 41 Ca 0.22 1.07 -0.06 0.00 0.00 0.00 0.00 61.98 63.20 3i70 s VAL 41 Cb -0.15 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3i70 s VAL 41 CO 0.18 0.22 -0.12 1.87 0.00 0.00 0.00 175.10 177.25 3i70 n TRP 42 N 1.53 0.08 -3.91 5.22 -0.00 0.49 -4.95 117.44 115.90 3i70 n TRP 42 Ca 0.02 0.03 -0.10 0.00 -0.00 0.00 0.00 57.50 57.45 3i70 n TRP 42 Cb 0.43 -0.25 -0.10 0.00 -0.00 0.00 0.00 31.31 31.39 3i70 n TRP 42 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 3i70 s ARG 43 N -1.70 0.50 -0.14 5.87 0.52 -1.24 -5.01 118.95 117.74 3i70 s ARG 43 Ca -0.10 -0.59 -0.14 0.00 -0.52 0.00 0.00 55.73 54.38 3i70 s ARG 43 Cb 0.01 0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.64 3i70 s ARG 43 CO 0.15 -0.12 0.32 0.71 0.02 0.00 0.00 175.30 176.39 3i70 s TYR 44 N -1.91 3.49 -0.98 -0.53 1.51 -1.26 -1.58 117.35 116.08 3i70 s TYR 44 Ca -0.11 0.66 0.22 0.00 -1.01 0.00 0.00 57.07 56.83 3i70 s TYR 44 Cb -0.05 -2.36 -0.03 0.00 -0.11 0.00 0.00 41.96 39.41 3i70 s TYR 44 CO -0.01 0.27 1.03 1.28 -1.11 0.00 0.00 175.55 177.01 3i70 n LEU 45 N 3.42 0.85 -3.64 -1.29 4.77 0.24 -4.94 117.00 116.41 3i70 n LEU 45 Ca -0.12 -0.35 -0.04 0.00 -0.03 0.00 0.00 56.01 55.47 3i70 n LEU 45 Cb 0.52 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 3i70 n LEU 45 CO 0.40 0.21 1.10 -0.75 -1.33 0.00 0.00 177.39 177.02 3i70 s LYS 46 N -3.01 0.12 -0.06 3.23 2.20 -0.75 -4.86 119.74 116.62 3i70 s LYS 46 Ca 0.08 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 3i70 s LYS 46 Cb 0.16 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 3i70 s LYS 46 CO 0.82 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 176.21 3i70 n GLY 47 N 1.50 0.44 0.19 5.54 0.00 -1.23 -1.23 105.19 110.39 3i70 n GLY 47 Ca -0.09 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.00 3i70 n GLY 47 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i70 h LYS 48 N 0.15 0.30 -0.80 1.61 3.64 -1.92 -1.95 116.57 117.60 3i70 h LYS 48 Ca -0.01 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3i70 h LYS 48 Cb 0.04 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 3i70 h LYS 48 CO 0.02 0.20 0.44 0.38 -2.27 0.00 0.00 179.45 178.22 3i70 h ASP 49 N 0.31 0.62 -0.21 4.20 -0.00 -1.98 -1.80 116.42 117.57 3i70 h ASP 49 Ca 0.23 0.05 0.02 0.00 -0.00 0.00 0.00 57.03 57.33 3i70 h ASP 49 Cb 0.26 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 39.50 3i70 h ASP 49 CO -0.25 0.35 0.07 0.40 -0.00 0.00 0.00 179.24 179.80 3i70 h ILE 50 N 0.74 0.94 -0.21 4.15 2.04 -1.75 -2.14 117.51 121.28 3i70 h ILE 50 Ca 0.39 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 66.16 3i70 h ILE 50 Cb 0.37 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3i70 h ILE 50 CO -0.26 0.03 -0.02 0.58 0.00 0.00 0.00 178.15 178.48 3i70 h VAL 51 N 0.16 1.15 -0.07 1.67 2.07 -1.09 -1.30 116.25 118.84 3i70 h VAL 51 Ca 0.09 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.90 3i70 h VAL 51 Cb 0.06 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3i70 h VAL 51 CO -0.10 0.19 -0.50 0.74 0.02 0.00 0.00 177.57 177.93 3i70 h THR 52 N 0.31 1.35 -0.00 2.57 2.02 -0.79 -1.56 112.91 116.80 3i70 h THR 52 Ca 0.07 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.52 3i70 h THR 52 Cb 0.24 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3i70 h THR 52 CO 0.01 0.51 -0.85 1.41 0.37 0.00 0.00 175.52 176.97 3i70 n HIS 53 N -3.95 0.00 -0.15 3.16 8.25 -0.86 -4.55 115.22 117.13 3i70 n HIS 53 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3i70 n HIS 53 Cb 0.54 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.62 3i70 n HIS 53 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3i70 n GLU 54 N -1.21 2.07 -4.84 -0.41 1.02 -0.52 -5.04 120.64 111.70 3i70 n GLU 54 Ca 0.05 -0.18 -0.26 0.00 -0.02 0.00 0.00 57.16 56.75 3i70 n GLU 54 Cb 0.36 -0.61 -0.16 0.00 -0.02 0.00 0.00 31.44 31.00 3i70 n GLU 54 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i70 s ILE 55 N -0.35 1.44 -0.44 -3.67 -1.09 -0.59 -4.91 121.20 111.59 3i70 s ILE 55 Ca 0.00 -0.73 -0.22 0.00 -2.23 0.00 0.00 60.65 57.47 3i70 s ILE 55 Cb 0.00 -1.23 0.02 0.00 -1.58 0.00 0.00 42.46 39.67 3i70 s ILE 55 CO 0.00 0.41 0.74 -0.76 -1.23 0.00 0.00 174.94 174.11 3i70 s LEU 56 N 0.00 4.31 0.42 2.97 1.43 -1.26 -4.73 118.68 121.83 3i70 s LEU 56 Ca -0.03 -0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 52.70 3i70 s LEU 56 Cb -0.11 -2.90 -0.10 0.00 0.03 0.00 0.00 46.19 43.11 3i70 s LEU 56 CO 0.02 -0.86 0.97 -0.76 0.23 0.00 0.00 176.35 175.95 3i70 s LEU 57 N 3.14 4.00 -0.24 1.79 1.43 -1.26 -5.03 118.68 122.52 3i70 s LEU 57 Ca 0.28 1.78 -0.15 0.00 -1.03 0.00 0.00 54.13 55.00 3i70 s LEU 57 Cb -0.13 -4.43 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 3i70 s LEU 57 CO 0.21 -0.39 0.39 -0.62 0.23 0.00 0.00 176.35 176.17 3i70 s ASP 58 N -2.01 6.35 -1.39 2.29 -1.08 -0.94 -4.18 116.67 115.71 3i70 s ASP 58 Ca 0.61 0.41 0.00 0.00 -0.52 0.00 0.00 52.55 53.04 3i70 s ASP 58 Cb -0.13 -2.22 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 3i70 s ASP 58 CO 0.17 -0.14 0.00 0.61 0.52 0.00 0.00 175.17 176.33 3i70 n GLY 59 N 4.30 0.56 4.42 2.66 0.00 -1.26 -1.05 105.19 114.82 3i70 n GLY 59 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3i70 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i70 n GLY 60 N -0.52 0.91 0.00 -0.02 0.00 -1.26 -4.56 105.19 99.74 3i70 n GLY 60 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3i70 n GLY 60 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i70 n ASN 61 N 0.00 0.48 -4.39 1.61 6.94 -1.01 -5.02 115.26 113.87 3i70 n ASN 61 Ca 0.00 -1.24 -0.32 0.00 -0.02 0.00 0.00 54.58 53.00 3i70 n ASN 61 Cb 0.00 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.27 3i70 n ASN 61 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3i70 s LYS 62 N -0.24 2.37 0.18 -3.83 3.01 -0.21 -1.04 119.74 119.97 3i70 s LYS 62 Ca 0.00 -0.81 0.03 0.00 -1.01 0.00 0.00 55.97 54.18 3i70 s LYS 62 Cb 0.00 -2.23 -0.05 0.00 -1.01 0.00 0.00 37.83 34.54 3i70 s LYS 62 CO 0.00 0.57 -0.03 0.14 0.51 0.00 0.00 175.35 176.53 3i70 s VAL 63 N -0.61 0.95 -0.13 3.17 -7.23 -0.62 -2.23 120.40 113.71 3i70 s VAL 63 Ca 0.09 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 3i70 s VAL 63 Cb -0.11 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 3i70 s VAL 63 CO 0.00 -0.52 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.43 3i70 s VAL 64 N -3.48 2.92 -0.12 1.32 1.01 -1.26 -0.17 120.40 120.62 3i70 s VAL 64 Ca 0.23 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3i70 s VAL 64 Cb 0.05 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3i70 s VAL 64 CO 0.04 0.53 -0.22 -0.63 0.00 0.00 0.00 175.10 174.82 3i70 s ILE 65 N 0.34 2.16 0.48 2.22 1.01 -0.45 -1.41 121.20 125.55 3i70 s ILE 65 Ca -0.12 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.62 3i70 s ILE 65 Cb -0.16 -1.84 -0.00 0.00 0.01 0.00 0.00 42.46 40.46 3i70 s ILE 65 CO 0.06 0.55 0.29 -0.83 0.00 0.00 0.00 174.94 175.01 3i70 s GLY 66 N 0.52 2.40 0.00 6.18 0.00 0.56 -1.13 107.32 115.85 3i70 s GLY 66 Ca -0.14 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.06 3i70 s GLY 66 CO 0.05 -1.93 0.00 0.61 0.00 0.00 0.00 173.10 171.83 3i70 n GLY 67 N -1.51 0.54 3.74 0.20 0.00 -1.09 -1.38 105.19 105.70 3i70 n GLY 67 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3i70 n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i70 s PHE 68 N -2.00 3.28 0.00 1.61 0.40 -0.85 -2.74 117.98 117.67 3i70 s PHE 68 Ca 0.00 1.27 0.00 0.00 -0.60 0.00 0.00 56.93 57.60 3i70 s PHE 68 Cb 0.00 -3.57 0.00 0.00 0.51 0.00 0.00 43.02 39.96 3i70 s PHE 68 CO 0.00 -1.75 0.00 0.41 0.70 0.00 0.00 175.22 174.58 3i70 n GLY 69 N 2.23 0.49 3.67 4.36 0.00 -0.92 -0.95 105.19 114.07 3i70 n GLY 69 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3i70 n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i70 s ASP 70 N -2.94 6.53 0.52 1.61 3.68 -1.11 -4.83 116.67 120.12 3i70 s ASP 70 Ca 0.00 2.55 0.21 0.00 2.13 0.00 0.00 52.55 57.44 3i70 s ASP 70 Cb 0.00 -2.54 1.33 0.00 -1.45 0.00 0.00 42.92 40.26 3i70 s ASP 70 CO 0.00 -0.99 2.05 -0.65 0.13 0.00 0.00 175.17 175.71 3i70 h PRO 71 N 9.66 0.02 0.00 4.34 0.11 -1.93 -2.14 132.00 142.07 3i70 h PRO 71 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i70 h PRO 71 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i70 h PRO 71 CO 0.94 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 180.03 3i70 n LEU 72 N -4.44 0.00 -4.28 2.35 7.99 -1.26 -4.68 117.00 112.68 3i70 n LEU 72 Ca 0.05 0.09 -0.36 0.00 -0.01 0.00 0.00 56.01 55.79 3i70 n LEU 72 Cb 0.42 -0.09 -0.13 0.00 -0.11 0.00 0.00 43.42 43.50 3i70 n LEU 72 CO 0.36 -0.00 -0.34 -0.63 -1.51 0.00 0.00 177.39 175.26 3i70 s ILE 73 N -2.18 3.43 0.00 -0.08 1.01 -0.81 -5.02 121.20 117.56 3i70 s ILE 73 Ca 0.41 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3i70 s ILE 73 Cb 0.21 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.94 3i70 s ILE 73 CO 0.39 0.17 0.91 0.00 0.00 0.00 0.00 174.94 176.41 3i70 s ASP 75 N -2.59 6.26 -0.02 0.00 3.68 -1.26 -4.82 116.67 117.91 3i70 s ASP 75 Ca 0.00 -0.74 0.02 0.00 2.13 0.00 0.00 52.55 53.96 3i70 s ASP 75 Cb 0.00 -2.37 0.04 0.00 -1.45 0.00 0.00 42.92 39.14 3i70 s ASP 75 CO 0.00 -1.12 0.89 -0.46 0.13 0.00 0.00 175.17 174.61 3i70 n ASN 76 N 6.93 0.43 -4.53 -0.34 2.04 -1.25 -2.00 115.26 116.53 3i70 n ASN 76 Ca -0.03 -1.89 -0.30 0.00 -0.44 0.00 0.00 54.58 51.92 3i70 n ASN 76 Cb 0.46 -0.17 -0.11 0.00 -2.53 0.00 0.00 39.78 37.44 3i70 n ASN 76 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 3i70 s GLN 77 N -0.44 1.96 0.07 -3.83 -1.52 -1.26 -2.16 119.66 112.48 3i70 s GLN 77 Ca 0.04 -1.09 -0.10 0.00 -1.95 0.00 0.00 55.36 52.26 3i70 s GLN 77 Cb 0.04 -2.21 0.01 0.00 -0.22 0.00 0.00 33.01 30.62 3i70 s GLN 77 CO 0.00 0.50 0.22 0.14 -0.25 0.00 0.00 175.29 175.90 3i70 s VAL 78 N -1.16 0.12 0.21 1.09 -7.23 -1.26 -5.07 120.40 107.10 3i70 s VAL 78 Ca 0.19 -0.96 0.04 0.00 -1.81 0.00 0.00 61.98 59.44 3i70 s VAL 78 Cb -0.11 -1.11 -0.05 0.00 0.56 0.00 0.00 36.38 35.67 3i70 s VAL 78 CO 0.11 -0.53 -0.03 -0.44 -0.31 0.00 0.00 175.10 173.91 3i70 s SER 79 N -2.45 1.85 0.17 4.85 0.01 -1.26 -5.08 113.70 111.80 3i70 s SER 79 Ca -0.00 -1.17 -0.32 0.00 1.31 0.00 0.00 55.95 55.77 3i70 s SER 79 Cb 0.02 -0.00 -0.11 0.00 0.21 0.00 0.00 66.02 66.14 3i70 s SER 79 CO -0.07 -0.47 1.64 -0.89 0.41 0.00 0.00 173.24 173.87 3i70 s THR 80 N -3.38 2.41 0.00 1.44 2.01 -1.26 -2.11 115.64 114.75 3i70 s THR 80 Ca 0.26 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.53 3i70 s THR 80 Cb 0.05 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.39 3i70 s THR 80 CO 0.07 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 3i70 n GLY 81 N 3.87 2.38 3.77 4.40 0.00 0.13 -5.01 105.19 114.73 3i70 n GLY 81 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3i70 n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i70 s ASP 82 N -1.40 6.20 -0.08 1.61 -0.00 -0.90 -4.67 116.67 117.43 3i70 s ASP 82 Ca 0.00 2.72 0.05 0.00 -0.00 0.00 0.00 52.55 55.32 3i70 s ASP 82 Cb 0.00 -2.64 -0.00 0.00 -0.00 0.00 0.00 42.92 40.27 3i70 s ASP 82 CO 0.00 -0.93 -0.24 0.42 -0.00 0.00 0.00 175.17 174.42 3i70 s THR 83 N -1.25 2.02 0.32 -1.27 -4.23 -1.26 -1.08 115.64 108.89 3i70 s THR 83 Ca 0.58 -1.01 -0.07 0.00 -1.18 0.00 0.00 61.69 60.00 3i70 s THR 83 Cb -0.39 -1.73 0.01 0.00 1.34 0.00 0.00 72.50 71.72 3i70 s THR 83 CO 0.51 0.55 0.52 -0.13 -0.54 0.00 0.00 174.62 175.53 3i70 s ARG 84 N 0.18 1.84 -0.21 3.99 1.81 -1.06 -4.36 118.95 121.16 3i70 s ARG 84 Ca -0.14 -1.56 -0.07 0.00 -1.72 0.00 0.00 55.73 52.24 3i70 s ARG 84 Cb -0.16 0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 34.77 3i70 s ARG 84 CO 0.07 -0.78 0.07 0.42 -0.68 0.00 0.00 175.30 174.40 3i70 s ILE 85 N -3.24 4.65 -0.22 1.52 1.01 0.81 -2.78 121.20 122.95 3i70 s ILE 85 Ca 0.26 -0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.78 3i70 s ILE 85 Cb -0.01 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 3i70 s ILE 85 CO 0.16 0.41 0.02 -0.36 0.00 0.00 0.00 174.94 175.17 3i70 s PHE 86 N 0.80 3.04 -0.48 3.97 0.40 0.15 -2.53 117.98 123.33 3i70 s PHE 86 Ca 0.04 -0.54 -0.17 0.00 -0.60 0.00 0.00 56.93 55.66 3i70 s PHE 86 Cb -0.13 -2.15 0.06 0.00 0.51 0.00 0.00 43.02 41.31 3i70 s PHE 86 CO 0.02 -0.34 0.50 -0.06 0.70 0.00 0.00 175.22 176.04 3i70 s PHE 87 N 1.32 3.15 0.20 0.36 0.40 -1.26 -1.75 117.98 120.40 3i70 s PHE 87 Ca 0.04 -0.67 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 3i70 s PHE 87 Cb -0.15 -3.28 -0.04 0.00 0.51 0.00 0.00 43.02 40.06 3i70 s PHE 87 CO 0.01 -0.88 0.08 0.14 0.70 0.00 0.00 175.22 175.27 3i70 s VAL 88 N 2.14 0.35 0.06 -0.44 -7.23 0.31 0.24 120.40 115.82 3i70 s VAL 88 Ca 0.10 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 3i70 s VAL 88 Cb -0.21 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 3i70 s VAL 88 CO 0.10 -0.20 -0.09 0.20 -0.31 0.00 0.00 175.10 174.80 3i70 s ASN 89 N -3.19 1.13 0.59 4.85 0.01 -0.94 -1.73 114.94 115.66 3i70 s ASN 89 Ca 0.32 -0.62 -0.19 0.00 -0.71 0.00 0.00 52.86 51.66 3i70 s ASN 89 Cb 0.07 0.02 -0.04 0.00 0.41 0.00 0.00 41.25 41.71 3i70 s ASN 89 CO 0.09 -0.20 1.24 -2.84 -1.51 0.00 0.00 177.10 173.88 3i70 s PRO 90 N -1.88 2.97 0.02 -0.60 0.02 -1.26 -0.33 135.00 133.94 3i70 s PRO 90 Ca -0.05 1.93 -0.30 0.00 0.02 0.00 0.00 61.00 62.59 3i70 s PRO 90 Cb -0.08 -1.99 -0.07 0.00 0.02 0.00 0.00 34.50 32.38 3i70 s PRO 90 CO 0.00 -1.23 1.54 0.00 -0.33 0.00 0.00 177.00 176.98 3i70 s ALA 91 N -1.51 3.63 0.80 -1.55 0.00 0.11 -4.71 121.76 118.53 3i70 s ALA 91 Ca 0.77 1.02 -0.14 0.00 0.00 0.00 0.00 51.96 53.62 3i70 s ALA 91 Cb -0.33 -3.66 0.08 0.00 0.00 0.00 0.00 23.12 19.21 3i70 s ALA 91 CO 0.36 -1.05 1.20 -2.30 0.00 0.00 0.00 175.76 173.97 3i70 n PRO 92 N 5.68 0.24 -0.12 0.00 -0.02 -1.26 -4.86 135.00 134.67 3i70 n PRO 92 Ca 0.15 0.16 -0.05 0.00 -2.02 0.00 0.00 63.50 61.74 3i70 n PRO 92 Cb 0.42 -2.44 0.02 0.00 -0.02 0.00 0.00 33.50 31.48 3i70 n PRO 92 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3i70 h GLN 93 N -0.81 0.02 0.00 -0.52 1.08 -1.98 -2.06 115.11 110.84 3i70 h GLN 93 Ca -0.47 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 3i70 h GLN 93 Cb 1.30 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 3i70 h GLN 93 CO 0.46 0.01 0.00 2.48 -0.95 0.00 0.00 178.83 180.84 3i70 n TYR 94 N -5.28 0.00 -0.93 2.96 0.18 -1.26 -1.56 117.16 111.27 3i70 n TYR 94 Ca 0.02 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.89 3i70 n TYR 94 Cb 0.21 0.00 0.14 0.00 -0.38 0.00 0.00 39.34 39.31 3i70 n TYR 94 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 3i70 n MET 95 N -0.54 1.65 -3.99 -3.48 2.81 -0.77 -5.01 117.12 107.78 3i70 n MET 95 Ca 0.01 -2.48 -0.26 0.00 -1.81 0.00 0.00 57.70 53.15 3i70 n MET 95 Cb 0.00 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.00 3i70 n MET 95 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 3i70 s TRP 96 N -2.64 3.38 -1.83 2.03 0.52 -0.60 -0.79 118.94 119.00 3i70 s TRP 96 Ca 0.29 0.08 0.12 0.00 0.02 0.00 0.00 56.10 56.62 3i70 s TRP 96 Cb 0.25 -1.62 0.39 0.00 -1.15 0.00 0.00 33.47 31.34 3i70 s TRP 96 CO 0.03 0.52 1.30 -0.35 0.02 0.00 0.00 176.95 178.48 3i70 n PRO 97 N -0.42 2.13 0.26 4.98 -0.04 -1.26 -4.88 135.00 135.77 3i70 n PRO 97 Ca -0.07 -1.56 -0.16 0.00 -0.04 0.00 0.00 63.50 61.67 3i70 n PRO 97 Cb 0.54 -1.40 -0.08 0.00 -0.04 0.00 0.00 33.50 32.52 3i70 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i70 h ALA 98 N 3.70 -0.64 -0.96 0.55 0.00 -1.97 -3.23 119.26 116.72 3i70 h ALA 98 Ca 0.00 -0.13 -0.59 0.00 0.00 0.00 0.00 54.91 54.18 3i70 h ALA 98 Cb 0.66 0.29 -0.39 0.00 0.00 0.00 0.00 17.79 18.34 3i70 h ALA 98 CO 0.03 -0.87 -0.38 0.72 0.00 0.00 0.00 179.25 178.76 3i70 n HIS 99 N -5.38 2.98 -2.62 0.00 8.25 0.03 -5.03 115.22 113.45 3i70 n HIS 99 Ca -0.11 -2.55 -0.40 0.00 -0.26 0.00 0.00 57.72 54.40 3i70 n HIS 99 Cb 0.28 -0.55 -0.05 0.00 1.12 0.00 0.00 29.99 30.80 3i70 n HIS 99 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3i70 s ARG 100 N -3.66 4.74 -1.22 -0.41 3.52 -1.22 -3.24 118.95 117.45 3i70 s ARG 100 Ca 0.53 1.63 -0.01 0.00 -0.13 0.00 0.00 55.73 57.74 3i70 s ARG 100 Cb 0.43 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.57 3i70 s ARG 100 CO -0.04 0.33 0.19 -1.71 -0.81 0.00 0.00 175.30 173.26 3i70 n ASN 101 N 1.59 -4.70 -4.25 -2.12 5.15 -1.26 -5.01 115.26 104.65 3i70 n ASN 101 Ca -0.01 -0.10 -0.23 0.00 -0.60 0.00 0.00 54.58 53.65 3i70 n ASN 101 Cb 0.46 -3.72 -0.13 0.00 -0.53 0.00 0.00 39.78 35.87 3i70 n ASN 101 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3i70 s GLU 102 N -5.03 1.08 -0.00 1.20 2.02 -1.20 -4.66 118.70 112.11 3i70 s GLU 102 Ca 0.10 -1.08 -0.09 0.00 0.02 0.00 0.00 54.97 53.91 3i70 s GLU 102 Cb -0.04 -1.27 -0.05 0.00 0.10 0.00 0.00 34.13 32.87 3i70 s GLU 102 CO 0.12 0.30 0.30 -0.51 0.02 0.00 0.00 175.26 175.49 3i70 s LEU 103 N -1.78 4.39 -0.12 1.80 1.43 -0.50 0.04 118.68 123.94 3i70 s LEU 103 Ca 0.05 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 3i70 s LEU 103 Cb -0.10 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 3i70 s LEU 103 CO 0.03 0.28 -0.15 -0.04 0.23 0.00 0.00 176.35 176.71 3i70 s MET 104 N -1.50 3.31 0.07 1.70 -1.94 0.56 -0.32 119.30 121.17 3i70 s MET 104 Ca 0.25 -0.71 -0.33 0.00 -1.71 0.00 0.00 55.69 53.19 3i70 s MET 104 Cb -0.14 -2.58 -0.12 0.00 2.01 0.00 0.00 34.83 34.00 3i70 s MET 104 CO 0.14 0.22 1.74 -0.11 -0.01 0.00 0.00 175.02 177.00 3i70 n LEU 105 N 3.48 3.43 -0.09 -0.03 7.94 -0.48 -2.21 117.00 129.04 3i70 n LEU 105 Ca -0.18 1.02 -0.11 0.00 -1.11 0.00 0.00 56.01 55.63 3i70 n LEU 105 Cb 0.53 -1.43 -0.15 0.00 0.53 0.00 0.00 43.42 42.89 3i70 n LEU 105 CO 0.30 -0.10 -1.07 -3.20 -1.11 0.00 0.00 177.39 172.21 3i70 n ASN 106 N 5.03 0.39 -2.42 1.96 2.85 0.14 -4.93 115.26 118.29 3i70 n ASN 106 Ca 0.19 0.06 -0.09 0.00 -0.11 0.00 0.00 54.58 54.62 3i70 n ASN 106 Cb 0.31 0.64 -0.01 0.00 1.24 0.00 0.00 39.78 41.96 3i70 n ASN 106 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3i70 n SER 107 N -2.87 -1.23 -4.64 1.20 3.41 -1.23 -5.04 113.62 103.24 3i70 n SER 107 Ca -0.32 -2.32 -0.45 0.00 -0.26 0.00 0.00 58.87 55.52 3i70 n SER 107 Cb 1.12 2.18 -0.02 0.00 -0.26 0.00 0.00 64.21 67.23 3i70 n SER 107 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i70 n SER 108 N -1.63 2.09 -4.76 4.04 7.64 -1.26 -4.66 113.62 115.07 3i70 n SER 108 Ca -0.02 1.17 -0.35 0.00 1.01 0.00 0.00 58.87 60.68 3i70 n SER 108 Cb 0.43 -1.36 0.03 0.00 -1.01 0.00 0.00 64.21 62.30 3i70 n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i70 s LEU 109 N 0.07 3.62 0.05 -3.43 1.43 -0.85 -4.74 118.68 114.83 3i70 s LEU 109 Ca 0.64 2.20 0.08 0.00 -1.03 0.00 0.00 54.13 56.01 3i70 s LEU 109 Cb -0.68 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 40.93 3i70 s LEU 109 CO 0.56 -1.47 -0.21 -0.04 0.23 0.00 0.00 176.35 175.41 3i70 s MET 110 N -3.52 1.38 0.64 1.70 -1.94 -1.05 -4.85 119.30 111.66 3i70 s MET 110 Ca 0.73 -0.99 -0.14 0.00 -1.71 0.00 0.00 55.69 53.58 3i70 s MET 110 Cb -0.25 -1.52 -0.01 0.00 2.01 0.00 0.00 34.83 35.05 3i70 s MET 110 CO 0.33 0.38 1.06 1.03 -0.01 0.00 0.00 175.02 177.82 3i70 s ARG 111 N -1.29 3.09 -0.44 2.03 1.81 -1.26 -0.14 118.95 122.76 3i70 s ARG 111 Ca 0.08 1.14 -0.23 0.00 -1.72 0.00 0.00 55.73 55.00 3i70 s ARG 111 Cb -0.09 -2.00 0.02 0.00 -0.45 0.00 0.00 34.95 32.43 3i70 s ARG 111 CO 0.02 -0.99 0.75 0.42 -0.68 0.00 0.00 175.30 174.83 3i70 s ILE 112 N -2.66 4.70 0.08 1.52 -1.09 -1.26 -4.67 121.20 117.81 3i70 s ILE 112 Ca 0.62 0.40 -0.09 0.00 -2.23 0.00 0.00 60.65 59.35 3i70 s ILE 112 Cb -0.16 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.44 3i70 s ILE 112 CO 0.44 -0.66 0.20 0.42 -1.23 0.00 0.00 174.94 174.10 3i70 s THR 113 N 3.17 0.13 0.23 2.92 -4.23 -1.26 -5.05 115.64 111.55 3i70 s THR 113 Ca 0.28 -1.10 -0.06 0.00 -1.18 0.00 0.00 61.69 59.64 3i70 s THR 113 Cb -0.13 -1.24 0.14 0.00 1.34 0.00 0.00 72.50 72.61 3i70 s THR 113 CO 0.21 -0.61 1.77 -0.07 -0.54 0.00 0.00 174.62 175.38 3i70 h LEU 114 N 2.89 0.98 -0.05 4.79 3.38 -1.99 -1.78 115.31 123.52 3i70 h LEU 114 Ca -0.34 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.48 3i70 h LEU 114 Cb 1.20 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 3i70 h LEU 114 CO 0.54 0.93 -0.17 -0.09 0.09 0.00 0.00 178.44 179.74 3i70 h ARG 115 N 1.00 -0.25 -0.02 1.13 2.43 -1.98 0.12 114.38 116.80 3i70 h ARG 115 Ca 0.21 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 3i70 h ARG 115 Cb 0.32 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3i70 h ARG 115 CO -0.00 -0.17 -0.02 -0.91 -1.51 0.00 0.00 179.97 177.36 3i70 h ASN 116 N -0.26 -0.06 -0.20 -3.80 -0.26 -1.84 0.11 115.58 109.27 3i70 h ASN 116 Ca 0.07 0.01 0.05 0.00 -0.56 0.00 0.00 56.30 55.87 3i70 h ASN 116 Cb 0.36 0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.60 3i70 h ASN 116 CO -0.20 -0.03 -0.12 -0.07 -1.06 0.00 0.00 177.43 175.95 3i70 h LEU 117 N -0.03 -0.39 -0.35 1.61 3.38 -1.03 -0.21 115.31 118.30 3i70 h LEU 117 Ca 0.02 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3i70 h LEU 117 Cb 0.05 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3i70 h LEU 117 CO -0.04 -0.15 0.22 -0.33 0.09 0.00 0.00 178.44 178.23 3i70 h GLU 118 N -0.11 0.46 -0.75 1.13 5.08 -0.47 -1.00 114.58 118.92 3i70 h GLU 118 Ca 0.11 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3i70 h GLU 118 Cb 0.28 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3i70 h GLU 118 CO -0.27 0.32 0.32 0.93 -1.00 0.00 0.00 179.01 179.31 3i70 h GLU 119 N 0.47 1.10 -0.08 2.33 5.08 -0.40 -0.88 114.58 122.19 3i70 h GLU 119 Ca 0.13 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3i70 h GLU 119 Cb -0.04 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 3i70 h GLU 119 CO -0.03 0.88 -0.10 0.28 -1.00 0.00 0.00 179.01 179.04 3i70 h VAL 120 N 1.08 1.38 -0.94 3.13 2.07 -0.84 -2.22 116.25 119.91 3i70 h VAL 120 Ca 0.25 -1.30 0.12 0.00 0.82 0.00 0.00 66.70 66.60 3i70 h VAL 120 Cb 0.17 2.07 -0.09 0.00 -1.52 0.00 0.00 31.29 31.93 3i70 h VAL 120 CO -0.02 0.36 0.57 -0.33 0.02 0.00 0.00 177.57 178.16 3i70 h GLU 121 N -0.24 0.85 0.26 1.57 5.08 -1.07 0.57 114.58 121.60 3i70 h GLU 121 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3i70 h GLU 121 Cb 0.63 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3i70 h GLU 121 CO 0.02 0.56 -0.28 1.25 -1.00 0.00 0.00 179.01 179.56 3i70 h HIS 122 N 0.88 -0.76 -0.16 4.33 2.76 -1.00 0.43 115.15 121.63 3i70 h HIS 122 Ca 0.48 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.61 3i70 h HIS 122 Cb 0.52 0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.77 3i70 h HIS 122 CO -0.03 -0.41 -0.11 0.00 -1.30 0.00 0.00 177.93 176.08 3i70 h VAL 124 N 0.24 1.32 0.05 0.00 2.07 -0.37 -2.60 116.25 116.96 3i70 h VAL 124 Ca 0.05 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 3i70 h VAL 124 Cb 0.35 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3i70 h VAL 124 CO 0.02 0.51 -0.03 -0.08 0.02 0.00 0.00 177.57 178.02 3i70 h GLU 125 N 0.36 -0.07 0.22 1.57 4.57 0.11 -2.88 114.58 118.46 3i70 h GLU 125 Ca 0.02 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3i70 h GLU 125 Cb 0.96 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.56 3i70 h GLU 125 CO 0.08 0.43 -0.14 1.49 -1.18 0.00 0.00 179.01 179.69 3i70 h GLU 126 N -0.60 -0.33 -1.75 1.92 4.81 -0.90 -2.75 114.58 114.98 3i70 h GLU 126 Ca -0.01 0.02 0.51 0.00 -0.13 0.00 0.00 59.36 59.76 3i70 h GLU 126 Cb 0.53 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.90 3i70 h GLU 126 CO 0.01 -0.22 1.25 1.25 -0.73 0.00 0.00 179.01 180.57 3i70 h HIS 127 N -0.34 0.06 0.00 0.92 2.76 -1.60 -1.91 115.15 115.03 3i70 h HIS 127 Ca -0.03 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 3i70 h HIS 127 Cb 0.28 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3i70 h HIS 127 CO 0.02 -0.02 -0.05 -2.13 -1.30 0.00 0.00 177.93 174.45 3i70 n ARG 128 N -4.07 1.06 0.00 5.26 0.63 -1.04 -5.10 116.66 113.40 3i70 n ARG 128 Ca 0.40 -0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 3i70 n ARG 128 Cb 1.80 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 33.54 3i70 n ARG 128 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75