#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n05 h GLU 11 N 0.00 0.00 -3.93 0.54 4.81 -2.00 -3.45 114.58 110.54 1n05 h GLU 11 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1n05 h GLU 11 Cb 0.00 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.19 1n05 h GLU 11 CO 0.00 0.06 -0.62 -1.50 -0.73 0.00 0.00 179.01 176.22 1n05 s ILE 12 N -3.45 0.14 0.14 2.32 2.07 -1.26 -4.55 121.20 116.61 1n05 s ILE 12 Ca 0.03 -1.12 -0.02 0.00 -1.41 0.00 0.00 60.65 58.13 1n05 s ILE 12 Cb 0.08 -0.72 -0.04 0.00 0.13 0.00 0.00 42.46 41.91 1n05 s ILE 12 CO 0.62 -0.62 0.08 0.68 -1.91 0.00 0.00 174.94 173.79 1n05 s VAL 13 N -2.29 0.09 0.02 4.00 -7.23 -1.26 -5.04 120.40 108.69 1n05 s VAL 13 Ca -0.08 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1n05 s VAL 13 Cb -0.03 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.86 1n05 s VAL 13 CO -0.04 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 1n05 n GLY 14 N -0.12 -2.91 3.61 2.32 0.00 -1.26 -4.79 105.19 102.05 1n05 n GLY 14 Ca -0.05 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 1n05 n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n05 s PRO 15 N -4.71 0.12 0.25 1.61 0.04 -1.26 -4.92 135.00 126.14 1n05 s PRO 15 Ca 0.00 0.81 -0.03 0.00 0.04 0.00 0.00 61.00 61.83 1n05 s PRO 15 Cb 0.00 -1.68 0.49 0.00 0.04 0.00 0.00 34.50 33.35 1n05 s PRO 15 CO 0.00 -3.02 1.75 0.93 0.04 0.00 0.00 177.00 176.70 1n05 h GLU 16 N -2.11 0.52 -6.45 4.56 4.39 -1.99 -3.42 114.58 110.08 1n05 h GLU 16 Ca -0.55 -0.03 -0.64 0.00 0.34 0.00 0.00 59.36 58.48 1n05 h GLU 16 Cb 1.31 -0.12 -0.14 0.00 -0.10 0.00 0.00 28.75 29.71 1n05 h GLU 16 CO 0.52 0.34 -0.70 -1.59 -1.16 0.00 0.00 179.01 176.42 1n05 s LYS 17 N -6.00 2.23 -0.37 2.33 0.00 -1.26 -4.56 119.74 112.11 1n05 s LYS 17 Ca -0.12 -1.08 -0.29 0.00 0.00 0.00 0.00 55.97 54.47 1n05 s LYS 17 Cb 0.21 -2.31 0.02 0.00 0.00 0.00 0.00 37.83 35.75 1n05 s LYS 17 CO 0.77 0.48 1.10 0.08 0.00 0.00 0.00 175.35 177.78 1n05 s VAL 18 N -1.48 4.41 0.19 1.79 1.01 -1.26 -5.00 120.40 120.06 1n05 s VAL 18 Ca 0.24 1.57 -0.05 0.00 0.00 0.00 0.00 61.98 63.74 1n05 s VAL 18 Cb -0.10 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 1n05 s VAL 18 CO 0.16 -0.65 0.23 -1.10 0.00 0.00 0.00 175.10 173.73 1n05 s GLN 19 N 3.92 1.22 0.18 2.72 -0.21 -1.21 -4.78 119.66 121.49 1n05 s GLN 19 Ca 0.46 -1.43 -0.30 0.00 0.02 0.00 0.00 55.36 54.12 1n05 s GLN 19 Cb -0.11 0.33 -0.17 0.00 1.00 0.00 0.00 33.01 34.06 1n05 s GLN 19 CO 0.21 -0.43 0.64 0.43 -2.12 0.00 0.00 175.29 174.02 1n05 n SER 20 N -0.26 -0.85 0.00 5.90 7.64 -1.26 -0.57 113.62 124.23 1n05 n SER 20 Ca -0.02 1.14 0.08 0.00 1.01 0.00 0.00 58.87 61.08 1n05 n SER 20 Cb 0.64 -0.98 0.40 0.00 -1.01 0.00 0.00 64.21 63.26 1n05 n SER 20 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1n05 n PRO 21 N 1.07 0.20 -3.53 1.43 -0.02 -1.26 -5.06 135.00 127.83 1n05 n PRO 21 Ca 0.18 0.14 -0.30 0.00 -2.02 0.00 0.00 63.50 61.51 1n05 n PRO 21 Cb 0.23 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.17 1n05 n PRO 21 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1n05 s TYR 22 N -2.62 3.47 0.65 6.00 1.51 0.27 -4.40 117.35 122.23 1n05 s TYR 22 Ca 0.14 0.57 -0.08 0.00 -1.01 0.00 0.00 57.07 56.70 1n05 s TYR 22 Cb 0.11 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 1n05 s TYR 22 CO 0.25 0.31 0.99 -1.25 -1.11 0.00 0.00 175.55 174.74 1n05 s PRO 23 N -3.15 2.71 -0.18 -1.71 0.04 -1.26 -3.35 135.00 128.11 1n05 s PRO 23 Ca 0.42 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1n05 s PRO 23 Cb -0.11 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.29 1n05 s PRO 23 CO 0.27 -0.94 -0.10 0.42 0.04 0.00 0.00 177.00 176.69 1n05 s ILE 24 N -3.17 1.51 -0.13 0.56 1.01 -0.68 -4.95 121.20 115.35 1n05 s ILE 24 Ca 0.57 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 60.36 1n05 s ILE 24 Cb -0.11 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1n05 s ILE 24 CO 0.47 0.25 0.04 -0.13 0.00 0.00 0.00 174.94 175.57 1n05 s ARG 25 N 1.47 3.48 0.02 2.79 0.52 -1.26 -0.79 118.95 125.19 1n05 s ARG 25 Ca 0.01 -0.35 -0.28 0.00 -0.52 0.00 0.00 55.73 54.59 1n05 s ARG 25 Cb -0.15 -3.02 0.07 0.00 0.52 0.00 0.00 34.95 32.37 1n05 s ARG 25 CO -0.09 0.52 0.67 -0.59 0.02 0.00 0.00 175.30 175.83 1n05 s PHE 26 N -0.34 -0.59 -0.06 -0.53 -0.12 -0.61 -5.01 117.98 110.72 1n05 s PHE 26 Ca 0.08 0.78 0.05 0.00 -0.05 0.00 0.00 56.93 57.80 1n05 s PHE 26 Cb -0.12 0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 42.73 1n05 s PHE 26 CO 0.02 -0.69 -0.22 -2.00 -0.05 0.00 0.00 175.22 172.28 1n05 s GLU 27 N -2.20 2.34 0.17 1.99 2.12 -1.26 -0.74 118.70 121.11 1n05 s GLU 27 Ca -0.06 -0.80 -0.09 0.00 0.36 0.00 0.00 54.97 54.38 1n05 s GLU 27 Cb -0.00 -1.97 -0.01 0.00 0.26 0.00 0.00 34.13 32.41 1n05 s GLU 27 CO 0.00 0.32 0.28 0.20 -0.54 0.00 0.00 175.26 175.52 1n05 s GLY 28 N -0.04 0.50 0.12 -1.50 0.00 -0.67 -4.85 107.32 100.87 1n05 s GLY 28 Ca -0.05 -0.90 -0.18 0.00 0.00 0.00 0.00 44.72 43.59 1n05 s GLY 28 CO 0.04 -0.85 0.58 0.54 0.00 0.00 0.00 173.10 173.41 1n05 s LYS 29 N -3.97 4.14 -0.25 2.90 1.02 -1.26 -1.53 119.74 120.79 1n05 s LYS 29 Ca 0.18 0.68 -0.23 0.00 0.02 0.00 0.00 55.97 56.62 1n05 s LYS 29 Cb 0.03 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1n05 s LYS 29 CO 0.00 0.56 0.74 0.08 -0.92 0.00 0.00 175.35 175.81 1n05 s VAL 30 N -1.28 4.90 -0.18 3.17 1.01 0.21 -1.55 120.40 126.69 1n05 s VAL 30 Ca 0.34 1.37 -0.11 0.00 0.00 0.00 0.00 61.98 63.58 1n05 s VAL 30 Cb -0.18 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1n05 s VAL 30 CO 0.19 -0.02 0.17 0.54 0.00 0.00 0.00 175.10 175.98 1n05 s VAL 31 N 2.67 5.39 -0.50 2.92 0.11 0.03 -4.34 120.40 126.68 1n05 s VAL 31 Ca 0.31 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 1n05 s VAL 31 Cb -0.15 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1n05 s VAL 31 CO 0.08 0.45 0.00 1.41 -3.33 0.00 0.00 175.10 173.71 1n05 n HIS 32 N 3.38 0.00 -3.79 1.54 8.25 -1.26 -4.37 115.22 118.97 1n05 n HIS 32 Ca -0.15 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.32 1n05 n HIS 32 Cb 0.52 -1.17 -0.00 0.00 1.12 0.00 0.00 29.99 30.46 1n05 n HIS 32 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n05 n GLY 33 N -2.42 -0.80 3.49 -1.41 0.00 -1.26 -4.51 105.19 98.29 1n05 n GLY 33 Ca -0.05 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 1n05 n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n05 s PHE 34 N -0.15 3.11 0.62 1.61 0.40 -1.26 -4.70 117.98 117.60 1n05 s PHE 34 Ca 0.00 -0.25 -0.19 0.00 -0.60 0.00 0.00 56.93 55.89 1n05 s PHE 34 Cb 0.00 -3.18 -0.02 0.00 0.51 0.00 0.00 43.02 40.33 1n05 s PHE 34 CO 0.00 -0.82 1.30 0.20 0.70 0.00 0.00 175.22 176.61 1n05 s GLY 35 N 2.00 2.86 0.35 4.36 0.00 -1.26 -4.93 107.32 110.70 1n05 s GLY 35 Ca 0.17 1.23 0.11 0.00 0.00 0.00 0.00 44.72 46.23 1n05 s GLY 35 CO 0.16 1.68 1.80 3.21 0.00 0.00 0.00 173.10 179.95 1n05 h ARG 36 N 0.76 0.08 0.69 2.90 2.47 -1.97 -2.66 114.38 116.66 1n05 h ARG 36 Ca -0.51 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.15 1n05 h ARG 36 Cb 1.33 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.65 1n05 h ARG 36 CO 0.54 0.44 -0.33 0.78 0.56 0.00 0.00 179.97 181.96 1n05 h GLY 37 N 1.13 -0.97 1.95 0.04 0.00 -1.99 0.85 103.07 104.07 1n05 h GLY 37 Ca 0.01 0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 1n05 h GLY 37 CO 0.05 -0.35 -0.14 1.48 0.00 0.00 0.00 176.54 177.58 1n05 h SER 38 N -1.07 0.06 -0.75 0.19 4.64 -1.84 -1.24 113.55 113.54 1n05 h SER 38 Ca -0.10 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.16 1n05 h SER 38 Cb 0.74 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 1n05 h SER 38 CO 0.16 0.21 0.23 0.50 -0.87 0.00 0.00 176.83 177.06 1n05 h LYS 39 N 0.07 1.16 0.00 4.77 3.64 -1.23 0.38 116.57 125.36 1n05 h LYS 39 Ca 0.01 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.10 1n05 h LYS 39 Cb 0.29 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1n05 h LYS 39 CO 0.02 0.99 -0.19 1.49 -2.27 0.00 0.00 179.45 179.48 1n05 h GLU 40 N 1.12 0.00 -0.01 1.90 4.57 0.37 -1.54 114.58 120.99 1n05 h GLU 40 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1n05 h GLU 40 Cb 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1n05 h GLU 40 CO -0.01 0.19 -0.05 1.28 -1.18 0.00 0.00 179.01 179.25 1n05 n LEU 41 N -3.85 1.03 -0.67 1.64 4.77 -0.73 -4.92 117.00 114.27 1n05 n LEU 41 Ca -0.02 -0.31 -0.07 0.00 -0.03 0.00 0.00 56.01 55.58 1n05 n LEU 41 Cb 0.29 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1n05 n LEU 41 CO 0.33 0.18 -0.08 0.61 -1.33 0.00 0.00 177.39 177.10 1n05 n GLY 42 N 1.18 0.39 2.67 -0.72 0.00 -0.58 -4.99 105.19 103.14 1n05 n GLY 42 Ca 0.18 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 1n05 n GLY 42 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1n05 n ILE 43 N -3.56 0.80 -1.67 -0.61 5.41 0.05 -4.68 119.36 115.09 1n05 n ILE 43 Ca -0.07 -4.46 -0.49 0.00 1.00 0.00 0.00 62.75 58.73 1n05 n ILE 43 Cb 0.43 -2.02 -0.05 0.00 -0.71 0.00 0.00 39.64 37.30 1n05 n ILE 43 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1n05 n PRO 44 N 2.06 1.88 -5.02 0.38 -0.04 -1.26 -4.30 135.00 128.70 1n05 n PRO 44 Ca 0.24 0.68 -0.29 0.00 -0.04 0.00 0.00 63.50 64.09 1n05 n PRO 44 Cb 0.40 -2.45 -0.17 0.00 -0.04 0.00 0.00 33.50 31.25 1n05 n PRO 44 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1n05 s THR 45 N 2.33 1.74 -0.08 0.52 2.01 -1.26 -0.20 115.64 120.70 1n05 s THR 45 Ca 0.87 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 62.04 1n05 s THR 45 Cb -0.78 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.24 1n05 s THR 45 CO 0.48 0.49 -0.15 0.00 -0.69 0.00 0.00 174.62 174.75 1n05 s ALA 46 N 0.20 1.47 -0.28 7.40 0.00 0.94 -4.21 121.76 127.28 1n05 s ALA 46 Ca -0.11 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.18 1n05 s ALA 46 Cb -0.15 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1n05 s ALA 46 CO 0.05 0.14 0.28 -0.80 0.00 0.00 0.00 175.76 175.43 1n05 s ASN 47 N 0.62 6.13 0.22 0.00 -0.87 -1.26 0.06 114.94 119.83 1n05 s ASN 47 Ca -0.15 0.09 -0.30 0.00 -1.57 0.00 0.00 52.86 50.94 1n05 s ASN 47 Cb -0.16 -2.16 -0.08 0.00 -0.02 0.00 0.00 41.25 38.82 1n05 s ASN 47 CO 0.04 -0.13 0.94 -0.63 -2.57 0.00 0.00 177.10 174.75 1n05 s ILE 48 N 1.90 4.14 0.34 0.60 -1.09 -0.33 -0.79 121.20 125.97 1n05 s ILE 48 Ca 0.11 2.07 -0.29 0.00 -2.23 0.00 0.00 60.65 60.31 1n05 s ILE 48 Cb -0.16 -4.32 -0.11 0.00 -1.58 0.00 0.00 42.46 36.29 1n05 s ILE 48 CO 0.11 0.48 1.45 -0.55 -1.23 0.00 0.00 174.94 175.19 1n05 s SER 49 N -1.01 6.50 0.34 3.58 0.15 -0.59 -4.33 113.70 118.34 1n05 s SER 49 Ca 0.42 2.89 0.14 0.00 0.70 0.00 0.00 55.95 60.10 1n05 s SER 49 Cb -0.25 -2.65 1.07 0.00 -1.71 0.00 0.00 66.02 62.47 1n05 s SER 49 CO 0.31 -0.76 1.66 -0.08 1.20 0.00 0.00 173.24 175.57 1n05 h GLU 50 N 3.61 0.31 -7.18 5.44 4.57 -1.95 -3.41 114.58 115.98 1n05 h GLU 50 Ca -0.49 -0.02 -0.51 0.00 -1.18 0.00 0.00 59.36 57.16 1n05 h GLU 50 Cb 1.23 -0.07 0.09 0.00 -0.16 0.00 0.00 28.75 29.84 1n05 h GLU 50 CO 0.68 0.21 0.39 0.16 -1.18 0.00 0.00 179.01 179.27 1n05 s ASP 51 N -4.91 5.27 0.00 1.04 -4.77 -1.26 -3.13 116.67 108.91 1n05 s ASP 51 Ca -0.10 2.02 0.00 0.00 -3.30 0.00 0.00 52.55 51.17 1n05 s ASP 51 Cb 0.30 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.57 1n05 s ASP 51 CO 0.79 -1.52 0.00 0.00 0.70 0.00 0.00 175.17 175.14 1n05 n ALA 52 N -2.16 0.00 0.00 2.11 0.00 -1.26 -4.74 120.51 114.45 1n05 n ALA 52 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1n05 n ALA 52 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1n05 n ALA 52 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1n05 n ILE 53 N -2.00 0.00 -0.14 0.00 -5.35 -1.18 -4.63 119.36 106.06 1n05 n ILE 53 Ca 0.00 -0.03 -0.05 0.00 -0.27 0.00 0.00 62.75 62.40 1n05 n ILE 53 Cb 0.00 0.49 0.04 0.00 -1.74 0.00 0.00 39.64 38.43 1n05 n ILE 53 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1n05 h GLN 54 N 0.00 0.37 -0.00 6.28 1.08 -1.84 -0.43 115.11 120.56 1n05 h GLN 54 Ca 0.00 -0.02 -0.15 0.00 -1.45 0.00 0.00 58.65 57.03 1n05 h GLN 54 Cb 0.00 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1n05 h GLN 54 CO 0.00 0.25 -0.59 0.93 -0.95 0.00 0.00 178.83 178.46 1n05 h GLU 55 N 0.38 0.41 0.00 1.46 3.07 -1.92 -2.68 114.58 115.30 1n05 h GLU 55 Ca 0.20 -0.43 -0.03 0.00 -0.50 0.00 0.00 59.36 58.60 1n05 h GLU 55 Cb 0.16 0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1n05 h GLU 55 CO -0.18 1.10 -0.13 -0.07 -1.40 0.00 0.00 179.01 178.33 1n05 h LEU 56 N -0.11 0.00 -2.57 1.33 -0.00 -1.80 -2.92 115.31 109.25 1n05 h LEU 56 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1n05 h LEU 56 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.96 1n05 h LEU 56 CO 0.12 0.13 0.00 0.18 -0.00 0.00 0.00 178.44 178.87 1n05 n LEU 57 N -3.50 2.87 -0.15 1.67 4.77 -0.18 -4.87 117.00 117.61 1n05 n LEU 57 Ca -0.01 -1.78 0.01 0.00 -0.03 0.00 0.00 56.01 54.20 1n05 n LEU 57 Cb 0.29 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1n05 n LEU 57 CO 0.30 0.69 0.26 -1.14 -1.33 0.00 0.00 177.39 176.17 1n05 n ARG 58 N 0.70 -0.07 -0.33 3.23 3.00 -1.01 -1.15 116.66 121.04 1n05 n ARG 58 Ca 0.12 0.64 0.07 0.00 -0.00 0.00 0.00 57.85 58.68 1n05 n ARG 58 Cb 0.43 -0.95 0.21 0.00 0.00 0.00 0.00 32.46 32.15 1n05 n ARG 58 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1n05 n TYR 59 N -4.64 0.74 -3.28 -0.14 4.02 -1.26 -5.03 117.16 107.57 1n05 n TYR 59 Ca 0.05 -0.69 -0.37 0.00 -0.01 0.00 0.00 57.90 56.89 1n05 n TYR 59 Cb 0.19 -0.18 -0.06 0.00 -0.02 0.00 0.00 39.34 39.27 1n05 n TYR 59 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1n05 s ARG 60 N -1.93 4.11 0.53 -0.72 1.81 -0.30 -5.07 118.95 117.38 1n05 s ARG 60 Ca 0.33 0.65 -0.17 0.00 -1.72 0.00 0.00 55.73 54.82 1n05 s ARG 60 Cb 0.24 -3.04 -0.07 0.00 -0.45 0.00 0.00 34.95 31.62 1n05 s ARG 60 CO 0.13 0.53 1.00 -0.51 -0.68 0.00 0.00 175.30 175.77 1n05 s ASP 61 N -1.47 6.43 0.89 0.23 1.01 -1.26 -5.03 116.67 117.47 1n05 s ASP 61 Ca 0.35 1.65 -0.11 0.00 0.71 0.00 0.00 52.55 55.15 1n05 s ASP 61 Cb -0.17 -2.52 0.13 0.00 1.01 0.00 0.00 42.92 41.37 1n05 s ASP 61 CO 0.19 -0.72 1.09 -0.94 0.21 0.00 0.00 175.17 175.00 1n05 s SER 62 N -2.93 3.40 0.00 0.27 1.04 -1.26 -4.91 113.70 109.31 1n05 s SER 62 Ca 0.60 1.68 0.00 0.00 0.48 0.00 0.00 55.95 58.71 1n05 s SER 62 Cb -0.12 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1n05 s SER 62 CO 0.31 -2.71 0.00 0.61 0.98 0.00 0.00 173.24 172.43 1n05 n GLY 63 N -0.76 0.84 3.59 7.32 0.00 0.07 -4.42 105.19 111.83 1n05 n GLY 63 Ca 0.08 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 1n05 n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n05 s VAL 64 N -1.97 4.79 0.41 1.61 1.01 0.57 -0.36 120.40 126.45 1n05 s VAL 64 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1n05 s VAL 64 Cb 0.00 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1n05 s VAL 64 CO 0.00 0.40 0.19 -0.31 0.00 0.00 0.00 175.10 175.38 1n05 s TYR 65 N 0.84 2.62 0.07 5.22 1.51 0.11 0.35 117.35 128.06 1n05 s TYR 65 Ca 0.05 -0.56 -0.02 0.00 -1.01 0.00 0.00 57.07 55.52 1n05 s TYR 65 Cb -0.13 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1n05 s TYR 65 CO 0.02 0.18 0.01 -0.59 -1.11 0.00 0.00 175.55 174.07 1n05 s PHE 66 N -2.58 0.51 0.00 2.71 -0.12 -0.58 -0.40 117.98 117.53 1n05 s PHE 66 Ca 0.41 -1.03 0.00 0.00 -0.05 0.00 0.00 56.93 56.27 1n05 s PHE 66 Cb 0.03 -0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.06 1n05 s PHE 66 CO 0.23 -0.42 0.00 0.41 -0.05 0.00 0.00 175.22 175.39 1n05 n GLY 67 N 0.06 -0.64 3.22 1.99 0.00 -0.72 -0.32 105.19 108.78 1n05 n GLY 67 Ca -0.13 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 1n05 n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n05 s TYR 68 N -3.38 1.25 -0.00 1.61 1.51 -0.57 -1.11 117.35 116.65 1n05 s TYR 68 Ca 0.00 -0.63 -0.04 0.00 -1.01 0.00 0.00 57.07 55.40 1n05 s TYR 68 Cb 0.00 -0.66 -0.00 0.00 -0.11 0.00 0.00 41.96 41.19 1n05 s TYR 68 CO 0.00 0.08 0.07 0.00 -1.11 0.00 0.00 175.55 174.59 1n05 s ALA 69 N -2.46 -0.16 -0.08 3.71 0.00 0.03 -0.84 121.76 121.96 1n05 s ALA 69 Ca 0.09 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 51.95 1n05 s ALA 69 Cb -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1n05 s ALA 69 CO 0.02 -0.14 -0.21 1.41 0.00 0.00 0.00 175.76 176.83 1n05 s MET 70 N -0.93 2.80 -0.04 0.00 1.75 0.17 -0.80 119.30 122.25 1n05 s MET 70 Ca -0.10 -0.84 -0.07 0.00 -1.25 0.00 0.00 55.69 53.43 1n05 s MET 70 Cb -0.06 -2.30 0.01 0.00 2.84 0.00 0.00 34.83 35.32 1n05 s MET 70 CO 0.00 0.34 0.16 0.08 -0.65 0.00 0.00 175.02 174.95 1n05 s VAL 71 N -0.03 0.03 -1.58 10.11 1.01 -0.56 -1.75 120.40 127.64 1n05 s VAL 71 Ca -0.06 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 1n05 s VAL 71 Cb -0.15 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 35.98 1n05 s VAL 71 CO 0.05 -0.15 0.46 0.00 0.00 0.00 0.00 175.10 175.47 1n05 n GLN 72 N 2.38 -2.53 -1.82 2.72 6.02 -1.26 -1.03 117.38 121.86 1n05 n GLN 72 Ca -0.17 0.30 -0.21 0.00 -0.01 0.00 0.00 57.00 56.92 1n05 n GLN 72 Cb 0.57 -4.53 -0.07 0.00 1.02 0.00 0.00 30.24 27.24 1n05 n GLN 72 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1n05 n LYS 73 N -4.41 -1.49 -4.38 -1.09 5.02 -1.26 -4.98 118.16 105.58 1n05 n LYS 73 Ca -0.15 1.16 -0.19 0.00 -2.02 0.00 0.00 58.31 57.11 1n05 n LYS 73 Cb 0.61 -5.61 -0.14 0.00 -0.02 0.00 0.00 35.03 29.86 1n05 n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1n05 s ARG 74 N -4.10 0.87 -0.14 1.97 0.52 -0.20 -5.14 118.95 112.73 1n05 s ARG 74 Ca 0.00 -0.59 -0.07 0.00 -0.52 0.00 0.00 55.73 54.55 1n05 s ARG 74 Cb 0.00 -0.84 -0.04 0.00 0.52 0.00 0.00 34.95 34.59 1n05 s ARG 74 CO 0.00 0.22 0.09 0.08 0.02 0.00 0.00 175.30 175.70 1n05 s VAL 75 N -0.63 5.05 0.03 3.52 1.01 -1.26 -1.50 120.40 126.62 1n05 s VAL 75 Ca 0.02 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1n05 s VAL 75 Cb -0.06 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1n05 s VAL 75 CO 0.00 0.54 -0.08 -0.36 0.00 0.00 0.00 175.10 175.20 1n05 s PHE 76 N -0.37 0.73 0.76 5.22 0.40 0.02 -4.97 117.98 119.77 1n05 s PHE 76 Ca 0.10 -0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 55.94 1n05 s PHE 76 Cb -0.12 -0.44 0.05 0.00 0.51 0.00 0.00 43.02 43.02 1n05 s PHE 76 CO 0.02 -0.04 1.09 -1.25 0.70 0.00 0.00 175.22 175.73 1n05 s PRO 77 N -1.18 2.36 0.28 0.24 0.04 -1.26 -0.79 135.00 134.68 1n05 s PRO 77 Ca -0.05 1.15 -0.21 0.00 0.04 0.00 0.00 61.00 61.93 1n05 s PRO 77 Cb -0.08 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.57 1n05 s PRO 77 CO 0.00 -1.56 0.71 0.00 0.04 0.00 0.00 177.00 176.19 1n05 s MET 78 N -4.89 1.77 0.06 4.56 0.23 -0.27 -0.84 119.30 119.93 1n05 s MET 78 Ca 0.61 -0.99 0.05 0.00 -1.03 0.00 0.00 55.69 54.33 1n05 s MET 78 Cb -0.17 0.61 -0.03 0.00 -1.53 0.00 0.00 34.83 33.71 1n05 s MET 78 CO 0.55 -0.81 -0.15 0.14 -2.03 0.00 0.00 175.02 172.72 1n05 s VAL 79 N -3.92 1.19 -0.02 5.16 -7.23 -0.88 -1.76 120.40 112.94 1n05 s VAL 79 Ca 0.11 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1n05 s VAL 79 Cb -0.06 -1.11 0.02 0.00 0.56 0.00 0.00 36.38 35.80 1n05 s VAL 79 CO 0.07 -0.12 0.00 -0.32 -0.31 0.00 0.00 175.10 174.42 1n05 s MET 80 N -1.53 0.19 -0.17 4.82 0.00 0.47 -0.90 119.30 122.18 1n05 s MET 80 Ca 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 55.69 55.62 1n05 s MET 80 Cb -0.09 -0.35 -0.04 0.00 0.00 0.00 0.00 34.83 34.34 1n05 s MET 80 CO 0.02 -0.10 0.31 -1.12 0.00 0.00 0.00 175.02 174.13 1n05 s SER 81 N 0.77 6.43 -0.00 1.11 0.01 0.11 0.07 113.70 122.19 1n05 s SER 81 Ca -0.07 0.50 0.06 0.00 1.31 0.00 0.00 55.95 57.74 1n05 s SER 81 Cb -0.10 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 1n05 s SER 81 CO -0.02 0.06 -0.17 -0.69 0.41 0.00 0.00 173.24 172.83 1n05 s VAL 82 N 0.68 2.81 0.05 3.43 1.01 0.51 -0.35 120.40 128.54 1n05 s VAL 82 Ca 0.17 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1n05 s VAL 82 Cb -0.13 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1n05 s VAL 82 CO 0.05 0.47 0.00 -1.54 0.00 0.00 0.00 175.10 174.08 1n05 n SER 94 N 1.97 -0.74 -3.70 3.32 3.41 -1.26 -0.75 113.62 115.86 1n05 n SER 94 Ca -0.16 0.16 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 1n05 n SER 94 Cb 0.52 -1.82 -0.15 0.00 -0.26 0.00 0.00 64.21 62.50 1n05 n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n05 s ALA 95 N -4.10 -0.26 -0.24 7.33 0.00 -1.26 -5.08 121.76 118.16 1n05 s ALA 95 Ca 0.00 0.67 -0.00 0.00 0.00 0.00 0.00 51.96 52.63 1n05 s ALA 95 Cb 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.47 1n05 s ALA 95 CO 0.00 -0.39 -0.10 -2.00 0.00 0.00 0.00 175.76 173.27 1n05 s GLU 96 N 1.81 2.77 -0.21 0.00 2.12 0.53 -1.19 118.70 124.52 1n05 s GLU 96 Ca -0.03 -1.01 -0.13 0.00 0.36 0.00 0.00 54.97 54.17 1n05 s GLU 96 Cb -0.12 -2.89 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 1n05 s GLU 96 CO -0.06 -0.39 0.25 0.08 -0.54 0.00 0.00 175.26 174.60 1n05 s VAL 97 N 1.28 5.31 -0.33 3.70 1.01 0.11 -0.71 120.40 130.77 1n05 s VAL 97 Ca -0.00 0.40 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 1n05 s VAL 97 Cb -0.16 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1n05 s VAL 97 CO -0.06 0.34 0.09 -1.00 0.00 0.00 0.00 175.10 174.47 1n05 s HIS 98 N 0.91 3.23 0.40 5.22 3.76 -0.08 -0.04 115.29 128.68 1n05 s HIS 98 Ca 0.13 -1.33 -0.24 0.00 -0.15 0.00 0.00 55.06 53.47 1n05 s HIS 98 Cb -0.13 -2.26 -0.09 0.00 1.11 0.00 0.00 32.58 31.20 1n05 s HIS 98 CO 0.04 -0.70 1.02 -0.51 -0.85 0.00 0.00 174.74 173.75 1n05 s LEU 99 N 1.42 4.11 -0.33 0.89 1.43 0.71 -2.07 118.68 124.85 1n05 s LEU 99 Ca -0.01 1.96 -0.09 0.00 -1.03 0.00 0.00 54.13 54.96 1n05 s LEU 99 Cb -0.19 -4.24 0.01 0.00 0.03 0.00 0.00 46.19 41.80 1n05 s LEU 99 CO 0.02 -0.45 0.16 -0.63 0.23 0.00 0.00 176.35 175.68 1n05 s ILE 100 N -1.74 4.45 -0.08 -0.59 1.01 -0.02 -4.07 121.20 120.16 1n05 s ILE 100 Ca 0.58 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 1n05 s ILE 100 Cb -0.20 -3.36 0.09 0.00 0.01 0.00 0.00 42.46 39.00 1n05 s ILE 100 CO 0.25 -0.05 0.79 -1.83 0.00 0.00 0.00 174.94 174.10 1n05 s GLU 101 N 1.56 0.90 -0.18 2.79 4.04 -1.26 -4.23 118.70 122.31 1n05 s GLU 101 Ca 0.03 0.17 0.15 0.00 0.04 0.00 0.00 54.97 55.36 1n05 s GLU 101 Cb -0.18 0.42 0.44 0.00 0.02 0.00 0.00 34.13 34.83 1n05 s GLU 101 CO 0.06 -0.29 1.19 0.54 -1.84 0.00 0.00 175.26 174.92 1n05 n ARG 102 N 0.76 1.67 0.00 -4.83 5.12 -1.26 -4.71 116.66 113.41 1n05 n ARG 102 Ca -0.16 -3.21 0.00 0.00 -1.93 0.00 0.00 57.85 52.56 1n05 n ARG 102 Cb 0.58 -1.39 -0.00 0.00 -1.16 0.00 0.00 32.46 30.49 1n05 n ARG 102 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1n05 n GLN 103 N -0.61 3.99 -2.88 5.56 1.13 -1.26 -5.02 117.38 118.30 1n05 n GLN 103 Ca 0.20 -0.20 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 1n05 n GLN 103 Cb 0.87 -0.70 0.05 0.00 0.11 0.00 0.00 30.24 30.56 1n05 n GLN 103 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1n05 n GLY 104 N 0.65 0.02 3.74 1.08 0.00 -1.26 -4.99 105.19 104.43 1n05 n GLY 104 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1n05 n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n05 s GLU 105 N -5.00 2.28 -0.70 1.61 2.02 -1.26 -4.96 118.70 112.69 1n05 s GLU 105 Ca 0.08 1.53 -0.22 0.00 0.02 0.00 0.00 54.97 56.38 1n05 s GLU 105 Cb -0.04 -1.87 0.08 0.00 0.10 0.00 0.00 34.13 32.40 1n05 s GLU 105 CO 0.41 -1.68 0.98 0.34 0.02 0.00 0.00 175.26 175.32 1n05 s ASP 106 N -2.47 6.24 -0.22 -0.19 2.15 -1.26 -5.02 116.67 115.91 1n05 s ASP 106 Ca 0.69 -1.18 -0.10 0.00 0.43 0.00 0.00 52.55 52.39 1n05 s ASP 106 Cb -0.24 -2.41 -0.05 0.00 -0.30 0.00 0.00 42.92 39.92 1n05 s ASP 106 CO 0.46 -1.37 0.14 -0.36 -0.17 0.00 0.00 175.17 173.87 1n05 s PHE 107 N 3.79 3.36 0.00 -5.34 0.08 -1.26 -4.90 117.98 113.72 1n05 s PHE 107 Ca 0.23 0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.55 1n05 s PHE 107 Cb -0.15 -2.20 0.00 0.00 -0.57 0.00 0.00 43.02 40.09 1n05 s PHE 107 CO 0.07 0.19 0.00 2.48 -0.10 0.00 0.00 175.22 177.85 1n05 n TYR 108 N 3.86 0.00 -0.92 0.36 4.11 -1.26 -4.72 117.16 118.58 1n05 n TYR 108 Ca -0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.42 1n05 n TYR 108 Cb 0.52 0.00 0.14 0.00 -0.00 0.00 0.00 39.34 40.00 1n05 n TYR 108 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1n05 s GLU 109 N -0.06 1.36 0.00 -3.48 2.02 -1.26 -4.93 118.70 112.35 1n05 s GLU 109 Ca 0.00 1.65 0.23 0.00 0.02 0.00 0.00 54.97 56.87 1n05 s GLU 109 Cb 0.00 -1.76 0.07 0.00 0.10 0.00 0.00 34.13 32.55 1n05 s GLU 109 CO 0.00 -2.40 1.16 0.39 0.02 0.00 0.00 175.26 174.43 1n05 n GLU 110 N -3.74 1.69 -4.92 1.61 1.02 -1.26 -4.85 120.64 110.18 1n05 n GLU 110 Ca 0.13 -1.40 -0.33 0.00 -0.02 0.00 0.00 57.16 55.54 1n05 n GLU 110 Cb 0.51 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 30.31 1n05 n GLU 110 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n05 s ILE 111 N -2.27 2.78 -0.00 -3.67 1.01 -1.26 0.67 121.20 118.46 1n05 s ILE 111 Ca 0.22 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.13 1n05 s ILE 111 Cb 0.19 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 1n05 s ILE 111 CO 0.46 0.54 -0.10 -0.32 0.00 0.00 0.00 174.94 175.52 1n05 s MET 112 N 0.17 0.77 -0.16 2.79 -2.45 -0.58 -4.64 119.30 115.20 1n05 s MET 112 Ca -0.09 -0.39 -0.05 0.00 -1.25 0.00 0.00 55.69 53.90 1n05 s MET 112 Cb -0.15 -0.74 -0.03 0.00 1.25 0.00 0.00 34.83 35.15 1n05 s MET 112 CO 0.06 0.20 0.01 1.03 1.05 0.00 0.00 175.02 177.37 1n05 s ARG 113 N -0.36 3.75 0.00 4.11 0.52 -0.72 -1.66 118.95 124.60 1n05 s ARG 113 Ca 0.03 -0.43 0.07 0.00 -0.52 0.00 0.00 55.73 54.88 1n05 s ARG 113 Cb -0.04 -3.04 -0.02 0.00 0.52 0.00 0.00 34.95 32.37 1n05 s ARG 113 CO -0.00 0.30 -0.22 0.08 0.02 0.00 0.00 175.30 175.48 1n05 s VAL 114 N 0.25 1.72 -0.23 3.52 1.01 0.08 0.43 120.40 127.18 1n05 s VAL 114 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1n05 s VAL 114 Cb -0.13 -1.45 0.06 0.00 0.00 0.00 0.00 36.38 34.86 1n05 s VAL 114 CO 0.02 0.40 -0.03 -0.63 0.00 0.00 0.00 175.10 174.86 1n05 s ILE 115 N -0.60 1.32 -0.16 2.22 1.01 -0.02 -1.58 121.20 123.40 1n05 s ILE 115 Ca 0.08 -1.12 -0.25 0.00 0.00 0.00 0.00 60.65 59.37 1n05 s ILE 115 Cb -0.09 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 1n05 s ILE 115 CO 0.00 -0.16 0.80 -0.69 0.00 0.00 0.00 174.94 174.89 1n05 s VAL 116 N 1.48 4.91 -0.02 2.92 1.01 0.03 -1.52 120.40 129.22 1n05 s VAL 116 Ca -0.04 1.57 0.16 0.00 0.00 0.00 0.00 61.98 63.67 1n05 s VAL 116 Cb -0.18 -4.11 -0.24 0.00 0.00 0.00 0.00 36.38 31.84 1n05 s VAL 116 CO -0.07 0.06 0.34 0.18 0.00 0.00 0.00 175.10 175.61 1n05 n LEU 117 N 5.04 0.00 -3.87 3.92 4.77 0.57 -1.68 117.00 125.74 1n05 n LEU 117 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1n05 n LEU 117 Cb 0.49 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1n05 n LEU 117 CO 0.48 0.00 0.97 -0.83 -1.33 0.00 0.00 177.39 176.68 1n05 s GLY 118 N -3.80 -0.11 -0.03 -0.72 0.00 -1.05 -4.82 107.32 96.78 1n05 s GLY 118 Ca -0.06 0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.72 1n05 s GLY 118 CO 0.65 3.13 -0.02 -0.47 0.00 0.00 0.00 173.10 176.39 1n05 s TYR 119 N -2.23 3.06 -0.18 1.90 5.04 -1.26 -1.52 117.35 122.14 1n05 s TYR 119 Ca 0.23 0.09 -0.12 0.00 -2.44 0.00 0.00 57.07 54.83 1n05 s TYR 119 Cb -0.00 -1.69 -0.08 0.00 0.35 0.00 0.00 41.96 40.54 1n05 s TYR 119 CO 0.01 0.44 -0.27 -0.89 -1.34 0.00 0.00 175.55 173.49 1n05 n ILE 120 N 1.69 1.26 -3.59 3.14 5.41 0.15 -4.36 119.36 123.06 1n05 n ILE 120 Ca -0.16 -0.14 -0.05 0.00 1.00 0.00 0.00 62.75 63.40 1n05 n ILE 120 Cb 0.53 -1.91 -0.02 0.00 -0.71 0.00 0.00 39.64 37.53 1n05 n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1n05 s ARG 121 N -2.49 0.55 0.80 0.38 1.70 -1.14 -5.01 118.95 113.75 1n05 s ARG 121 Ca -0.27 -0.23 -0.12 0.00 -0.47 0.00 0.00 55.73 54.64 1n05 s ARG 121 Cb 0.09 0.23 0.08 0.00 -0.57 0.00 0.00 34.95 34.78 1n05 s ARG 121 CO 0.36 -0.24 1.17 -1.25 -1.08 0.00 0.00 175.30 174.26 1n05 s PRO 122 N -2.70 1.97 0.61 3.89 0.04 -1.26 -0.32 135.00 137.22 1n05 s PRO 122 Ca 0.09 0.08 -0.19 0.00 0.04 0.00 0.00 61.00 61.02 1n05 s PRO 122 Cb -0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1n05 s PRO 122 CO -0.05 -1.58 1.24 -1.21 0.04 0.00 0.00 177.00 175.44 1n05 s GLU 123 N -5.56 2.84 0.20 4.56 2.02 -1.26 -4.67 118.70 116.83 1n05 s GLU 123 Ca 0.62 1.93 0.08 0.00 0.02 0.00 0.00 54.97 57.62 1n05 s GLU 123 Cb -0.11 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.16 1n05 s GLU 123 CO 0.49 -1.34 -0.02 -0.51 0.02 0.00 0.00 175.26 173.90 1n05 s LEU 124 N -4.14 3.21 0.24 1.80 1.43 -1.26 -5.06 118.68 114.90 1n05 s LEU 124 Ca 0.79 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 53.10 1n05 s LEU 124 Cb -0.33 -1.84 -0.10 0.00 0.03 0.00 0.00 46.19 43.95 1n05 s LEU 124 CO 0.36 0.07 1.41 0.20 0.23 0.00 0.00 176.35 178.62 1n05 s ASN 125 N -3.07 6.71 0.17 2.29 0.01 -1.26 -4.91 114.94 114.88 1n05 s ASN 125 Ca 0.28 2.61 -0.32 0.00 -0.71 0.00 0.00 52.86 54.71 1n05 s ASN 125 Cb -0.09 -2.62 -0.12 0.00 0.41 0.00 0.00 41.25 38.83 1n05 s ASN 125 CO 0.18 -0.66 1.71 0.00 -1.51 0.00 0.00 177.10 176.82 1n05 n TYR 126 N 2.37 2.59 -2.35 2.20 9.36 -1.26 -4.90 117.16 125.18 1n05 n TYR 126 Ca 0.06 0.07 -0.01 0.00 3.32 0.00 0.00 57.90 61.34 1n05 n TYR 126 Cb 0.41 -2.65 0.07 0.00 -0.63 0.00 0.00 39.34 36.53 1n05 n TYR 126 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1n05 n ALA 127 N 4.15 3.11 0.00 2.98 0.00 -1.26 -5.12 120.51 124.37 1n05 n ALA 127 Ca 0.17 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.72 1n05 n ALA 127 Cb 0.33 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1n05 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n05 n GLY 128 N -0.33 2.39 0.06 0.00 0.00 -1.26 -4.50 105.19 101.55 1n05 n GLY 128 Ca 0.15 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1n05 n GLY 128 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n05 h LEU 129 N 0.00 0.08 -1.07 0.99 5.85 -1.99 -1.90 115.31 117.27 1n05 h LEU 129 Ca 0.00 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 1n05 h LEU 129 Cb 0.00 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1n05 h LEU 129 CO 0.00 0.10 -0.09 0.44 -0.34 0.00 0.00 178.44 178.55 1n05 h ASP 130 N 0.05 0.54 -0.47 1.25 5.19 -1.99 -0.74 116.42 120.25 1n05 h ASP 130 Ca 0.02 -0.13 -0.08 0.00 -0.62 0.00 0.00 57.03 56.22 1n05 h ASP 130 Cb 0.03 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 1n05 h ASP 130 CO -0.00 0.67 -0.00 0.50 -3.12 0.00 0.00 179.24 177.28 1n05 h LYS 131 N 0.52 0.83 -0.13 3.56 3.11 -1.76 0.36 116.57 123.06 1n05 h LYS 131 Ca 0.10 -0.27 0.01 0.00 -2.81 0.00 0.00 60.65 57.69 1n05 h LYS 131 Cb 0.47 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.61 1n05 h LYS 131 CO 0.03 0.88 0.04 1.25 -2.81 0.00 0.00 179.45 178.84 1n05 h LEU 132 N 0.69 0.04 -0.77 5.20 6.46 -0.89 -0.03 115.31 126.00 1n05 h LEU 132 Ca 0.13 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1n05 h LEU 132 Cb 0.51 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 1n05 h LEU 132 CO 0.02 0.04 0.21 0.40 -0.62 0.00 0.00 178.44 178.50 1n05 h ILE 133 N 0.10 1.26 -0.27 4.05 2.04 -0.91 -2.57 117.51 121.21 1n05 h ILE 133 Ca 0.06 -0.92 -0.10 0.00 1.00 0.00 0.00 64.86 64.89 1n05 h ILE 133 Cb 0.04 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1n05 h ILE 133 CO -0.06 0.36 -0.25 -0.33 0.00 0.00 0.00 178.15 177.87 1n05 h GLU 134 N 1.09 0.52 -0.49 2.37 5.08 -0.61 -2.17 114.58 120.37 1n05 h GLU 134 Ca 0.23 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1n05 h GLU 134 Cb 0.32 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1n05 h GLU 134 CO -0.01 0.74 0.01 -0.44 -1.00 0.00 0.00 179.01 178.31 1n05 h ASP 135 N 0.46 0.77 -0.40 1.42 3.45 -0.77 -1.42 116.42 119.92 1n05 h ASP 135 Ca 0.07 -0.18 -0.05 0.00 0.43 0.00 0.00 57.03 57.29 1n05 h ASP 135 Cb 0.68 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.23 1n05 h ASP 135 CO 0.05 0.83 0.06 0.40 -1.57 0.00 0.00 179.24 179.01 1n05 h ILE 136 N 0.75 1.24 -0.47 0.35 2.04 -1.14 0.13 117.51 120.43 1n05 h ILE 136 Ca 0.15 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 1n05 h ILE 136 Cb 0.44 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1n05 h ILE 136 CO 0.02 0.30 0.11 0.45 0.00 0.00 0.00 178.15 179.03 1n05 h HIS 137 N 0.52 0.72 0.00 1.37 3.86 -1.10 -0.78 115.15 119.75 1n05 h HIS 137 Ca 0.12 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1n05 h HIS 137 Cb 0.38 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1n05 h HIS 137 CO 0.03 0.62 -0.00 1.15 0.86 0.00 0.00 177.93 180.58 1n05 h THR 138 N 0.68 1.28 -0.86 2.45 2.02 -0.91 -2.16 112.91 115.42 1n05 h THR 138 Ca 0.15 -0.84 0.16 0.00 0.77 0.00 0.00 66.41 66.65 1n05 h THR 138 Cb 0.26 1.85 -0.10 0.00 -1.74 0.00 0.00 68.15 68.43 1n05 h THR 138 CO -0.00 0.22 0.43 0.44 0.37 0.00 0.00 175.52 176.98 1n05 h ASP 139 N -0.36 0.50 -0.44 4.18 3.45 -0.51 -0.79 116.42 122.45 1n05 h ASP 139 Ca -0.00 0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 1n05 h ASP 139 Cb 0.36 0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 1n05 h ASP 139 CO 0.00 0.19 0.25 0.40 -1.57 0.00 0.00 179.24 178.51 1n05 h ILE 140 N 0.60 1.15 -0.39 0.35 2.04 -0.94 0.13 117.51 120.45 1n05 h ILE 140 Ca 0.48 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.97 1n05 h ILE 140 Cb 0.71 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1n05 h ILE 140 CO -0.38 0.16 0.22 -0.09 0.00 0.00 0.00 178.15 178.06 1n05 h ARG 141 N 0.58 0.44 -0.59 2.37 2.43 -0.59 -1.08 114.38 117.94 1n05 h ARG 141 Ca 0.16 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1n05 h ARG 141 Cb 0.04 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1n05 h ARG 141 CO -0.03 0.29 0.07 0.28 -1.51 0.00 0.00 179.97 179.08 1n05 h VAL 142 N 0.45 1.25 -0.08 0.20 2.07 -0.81 -1.96 116.25 117.38 1n05 h VAL 142 Ca 0.15 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1n05 h VAL 142 Cb 0.01 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1n05 h VAL 142 CO -0.08 0.37 0.03 0.00 0.02 0.00 0.00 177.57 177.92 1n05 h ALA 143 N 1.17 0.11 -0.43 1.67 0.00 -0.39 0.12 119.26 121.50 1n05 h ALA 143 Ca 0.18 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1n05 h ALA 143 Cb 0.43 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1n05 h ALA 143 CO 0.01 -0.31 0.13 -0.07 0.00 0.00 0.00 179.25 179.01 1n05 h LEU 144 N -0.02 0.09 -0.04 0.00 4.07 -1.05 -0.01 115.31 118.36 1n05 h LEU 144 Ca 0.03 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1n05 h LEU 144 Cb 0.16 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.96 1n05 h LEU 144 CO -0.00 0.09 0.02 0.78 -1.08 0.00 0.00 178.44 178.25 1n05 h ASN 145 N 0.28 0.04 0.12 -0.43 -0.26 -1.11 -2.84 115.58 111.38 1n05 h ASN 145 Ca 0.21 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.93 1n05 h ASN 145 Cb 0.23 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.48 1n05 h ASN 145 CO -0.24 0.04 -0.06 0.28 -1.06 0.00 0.00 177.43 176.39 1n05 h SER 146 N 0.04 0.00 -0.22 5.81 0.02 -0.06 -2.14 113.55 117.00 1n05 h SER 146 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1n05 h SER 146 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1n05 h SER 146 CO -0.00 0.06 0.00 0.23 -1.14 0.00 0.00 176.83 175.98 1n05 n MET 147 N -3.98 2.05 0.24 3.45 2.81 -0.08 -4.10 117.12 117.51 1n05 n MET 147 Ca -0.03 -1.58 0.11 0.00 -1.81 0.00 0.00 57.70 54.40 1n05 n MET 147 Cb 0.15 -1.45 0.58 0.00 -0.71 0.00 0.00 33.22 31.79 1n05 n MET 147 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1n05 h ASP 148 N 3.26 0.00 -3.96 7.83 1.82 -1.16 -3.09 116.42 121.11 1n05 h ASP 148 Ca 0.00 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.13 1n05 h ASP 148 Cb 0.71 0.00 0.06 0.00 0.68 0.00 0.00 39.33 40.78 1n05 h ASP 148 CO 0.00 0.18 0.52 -0.13 -1.61 0.00 0.00 179.24 178.20 1n05 s ARG 149 N -3.88 3.94 0.28 0.28 0.52 -1.26 -4.80 118.95 114.03 1n05 s ARG 149 Ca -0.01 1.90 0.01 0.00 -0.52 0.00 0.00 55.73 57.11 1n05 s ARG 149 Cb 0.11 -2.62 0.56 0.00 0.52 0.00 0.00 34.95 33.53 1n05 s ARG 149 CO 0.61 -0.43 1.80 -1.00 0.02 0.00 0.00 175.30 176.29 1n05 h PRO 150 N 2.48 0.79 -0.02 3.54 0.13 -1.90 -0.59 132.00 136.42 1n05 h PRO 150 Ca -0.49 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 1n05 h PRO 150 Cb 1.24 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1n05 h PRO 150 CO 0.62 0.52 -0.10 1.03 -0.23 0.00 0.00 178.00 179.84 1n05 h SER 151 N 0.81 0.03 0.00 1.44 0.87 -1.93 -2.93 113.55 111.84 1n05 h SER 151 Ca 0.49 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.92 1n05 h SER 151 Cb 0.60 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1n05 h SER 151 CO -0.31 0.13 -0.75 1.88 -0.53 0.00 0.00 176.83 177.25 1n05 h TYR 152 N 0.03 0.00 -0.15 2.24 -1.99 -1.49 -3.39 116.97 112.22 1n05 h TYR 152 Ca 0.01 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.78 1n05 h TYR 152 Cb 0.20 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1n05 h TYR 152 CO 0.00 1.15 0.15 0.66 -0.00 0.00 0.00 178.16 180.12 1n05 h SER 153 N -1.00 0.00 0.49 3.88 4.64 -1.07 -1.63 113.55 118.85 1n05 h SER 153 Ca -0.20 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.09 1n05 h SER 153 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1n05 h SER 153 CO -0.12 0.00 -0.14 0.77 -0.87 0.00 0.00 176.83 176.47 1n05 h SER 154 N 0.00 0.00 0.37 4.97 4.64 -1.71 -2.29 113.55 119.54 1n05 h SER 154 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1n05 h SER 154 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1n05 h SER 154 CO -0.00 0.14 0.00 -1.22 -0.87 0.00 0.00 176.83 174.88 1n05 n TYR 155 N -3.58 0.00 0.24 4.77 4.02 -0.61 -1.96 117.16 120.03 1n05 n TYR 155 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.98 1n05 n TYR 155 Cb 0.28 -0.41 0.58 0.00 -0.02 0.00 0.00 39.34 39.78 1n05 n TYR 155 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1n05 h LYS 156 N 0.00 0.00 -0.47 -0.72 3.64 -1.59 -2.01 116.57 115.42 1n05 h LYS 156 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1n05 h LYS 156 Cb 0.19 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1n05 h LYS 156 CO 0.00 0.20 0.07 1.63 -2.27 0.00 0.00 179.45 179.08 1n05 n LYS 157 N -3.63 3.36 -1.74 1.90 5.02 -0.83 -4.96 118.16 117.29 1n05 n LYS 157 Ca -0.01 -3.02 -0.41 0.00 -2.02 0.00 0.00 58.31 52.85 1n05 n LYS 157 Cb 0.33 -2.03 0.01 0.00 -0.02 0.00 0.00 35.03 33.32 1n05 n LYS 157 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1n05 n ASP 158 N -0.30 3.21 0.10 4.39 2.03 -0.76 -4.86 116.55 120.36 1n05 n ASP 158 Ca 0.30 1.17 0.19 0.00 0.52 0.00 0.00 54.79 56.97 1n05 n ASP 158 Cb 1.11 -1.56 0.75 0.00 -0.72 0.00 0.00 41.12 40.70 1n05 n ASP 158 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1n05 h PRO 159 N 2.53 0.00 0.00 -0.67 0.11 -1.95 0.14 132.00 132.16 1n05 h PRO 159 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1n05 h PRO 159 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1n05 h PRO 159 CO 0.62 0.00 -0.02 0.35 -0.21 0.00 0.00 178.00 178.74 1n05 h PHE 160 N 0.00 0.00 -0.52 0.65 3.57 -1.96 -0.35 116.94 118.33 1n05 h PHE 160 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1n05 h PHE 160 Cb 0.81 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1n05 h PHE 160 CO 0.00 0.02 0.00 1.19 -2.23 0.00 0.00 178.31 177.29 1n05 n PHE 161 N -3.39 0.84 0.00 0.41 0.99 0.49 -5.07 117.46 111.73 1n05 n PHE 161 Ca -0.02 -0.38 0.00 0.00 -0.00 0.00 0.00 57.45 57.04 1n05 n PHE 161 Cb 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 39.48 38.54 1n05 n PHE 161 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93