#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u14 s HIS 2 N 0.00 3.14 -0.49 0.00 0.09 -0.66 -4.98 115.29 112.38 1u14 s HIS 2 Ca 0.00 -0.22 -0.22 0.00 -0.00 0.00 0.00 55.06 54.62 1u14 s HIS 2 Cb 0.00 -2.26 0.04 0.00 -0.00 0.00 0.00 32.58 30.36 1u14 s HIS 2 CO 0.00 -0.25 0.75 -0.65 -0.00 0.00 0.00 174.74 174.59 1u14 s GLN 3 N 1.52 3.28 -0.31 1.40 -1.52 -1.26 -1.05 119.66 121.72 1u14 s GLN 3 Ca 0.06 -0.43 -0.08 0.00 -1.95 0.00 0.00 55.36 52.96 1u14 s GLN 3 Cb -0.15 -4.02 0.01 0.00 -0.22 0.00 0.00 33.01 28.63 1u14 s GLN 3 CO 0.05 -1.23 0.12 0.08 -0.25 0.00 0.00 175.29 174.06 1u14 s VAL 4 N 3.20 4.22 -0.27 1.09 1.01 -0.32 -1.44 120.40 127.89 1u14 s VAL 4 Ca 0.24 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.35 1u14 s VAL 4 Cb -0.15 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1u14 s VAL 4 CO 0.18 0.02 0.69 -0.63 0.00 0.00 0.00 175.10 175.36 1u14 s ILE 5 N 1.53 4.92 -0.29 2.22 -1.09 0.43 -1.14 121.20 127.79 1u14 s ILE 5 Ca 0.03 1.19 -0.13 0.00 -2.23 0.00 0.00 60.65 59.51 1u14 s ILE 5 Cb -0.18 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 1u14 s ILE 5 CO 0.04 -0.05 0.27 -0.55 -1.23 0.00 0.00 174.94 173.42 1u14 s SER 6 N 1.48 6.11 -0.73 3.58 0.15 -0.13 -1.05 113.70 123.11 1u14 s SER 6 Ca 0.29 -0.01 -0.06 0.00 0.70 0.00 0.00 55.95 56.87 1u14 s SER 6 Cb -0.15 -2.16 -0.06 0.00 -1.71 0.00 0.00 66.02 61.94 1u14 s SER 6 CO 0.09 -0.15 3.00 0.00 1.20 0.00 0.00 173.24 177.38 1u14 n ALA 7 N 5.19 6.74 -3.62 5.45 0.00 0.24 -1.16 120.51 133.35 1u14 n ALA 7 Ca -0.12 -2.99 -0.06 0.00 0.00 0.00 0.00 53.44 50.28 1u14 n ALA 7 Cb 0.51 -2.58 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 1u14 n ALA 7 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1u14 s THR 8 N -0.13 0.00 -1.17 0.00 -1.32 -0.88 -4.72 115.64 107.42 1u14 s THR 8 Ca 0.63 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.23 1u14 s THR 8 Cb 0.28 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 70.55 1u14 s THR 8 CO -0.10 0.00 1.18 0.35 -2.21 0.00 0.00 174.62 173.84 1u14 n THR 9 N 0.98 0.73 -2.26 5.08 -2.24 -1.26 -3.92 114.28 111.39 1u14 n THR 9 Ca -0.07 -0.86 -0.43 0.00 -2.27 0.00 0.00 64.05 60.42 1u14 n THR 9 Cb 0.58 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.49 1u14 n THR 9 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1u14 s ASN 10 N -1.01 6.79 0.42 3.42 3.84 -1.26 -4.93 114.94 122.21 1u14 s ASN 10 Ca 0.23 1.83 0.09 0.00 0.21 0.00 0.00 52.86 55.22 1u14 s ASN 10 Cb 0.13 -2.54 0.89 0.00 -0.55 0.00 0.00 41.25 39.18 1u14 s ASN 10 CO 0.17 -0.87 2.03 -0.65 -2.79 0.00 0.00 177.10 174.98 1u14 h PRO 11 N 8.90 0.37 -0.53 0.43 0.11 -1.94 -1.33 132.00 138.01 1u14 h PRO 11 Ca -0.31 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 1u14 h PRO 11 Cb 1.13 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1u14 h PRO 11 CO 0.97 0.31 0.18 0.00 -0.21 0.00 0.00 178.00 179.26 1u14 h ALA 12 N 1.75 0.70 -0.31 -0.75 0.00 -1.85 -1.88 119.26 116.91 1u14 h ALA 12 Ca 0.09 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1u14 h ALA 12 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1u14 h ALA 12 CO -0.01 0.34 -0.10 0.87 0.00 0.00 0.00 179.25 180.35 1u14 h LYS 13 N 0.73 0.62 -0.62 0.00 1.57 -1.84 -2.72 116.57 114.32 1u14 h LYS 13 Ca 0.17 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1u14 h LYS 13 Cb 0.25 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1u14 h LYS 13 CO -0.01 0.82 0.39 0.82 -0.57 0.00 0.00 179.45 180.90 1u14 h ILE 14 N 0.39 1.17 -0.39 1.86 2.04 -1.13 -1.32 117.51 120.13 1u14 h ILE 14 Ca 0.08 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 1u14 h ILE 14 Cb 0.61 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1u14 h ILE 14 CO 0.04 0.17 -0.10 -0.61 0.00 0.00 0.00 178.15 177.65 1u14 h GLN 15 N 0.85 0.75 -0.47 2.37 4.15 -1.29 -0.02 115.11 121.44 1u14 h GLN 15 Ca 0.22 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1u14 h GLN 15 Cb -0.06 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1u14 h GLN 15 CO -0.05 0.89 0.22 0.00 -1.93 0.00 0.00 178.83 177.96 1u14 h ALA 16 N 0.83 0.61 0.07 3.38 0.00 -1.11 -1.31 119.26 121.74 1u14 h ALA 16 Ca 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u14 h ALA 16 Cb 0.61 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1u14 h ALA 16 CO 0.04 0.19 -0.03 0.82 0.00 0.00 0.00 179.25 180.26 1u14 h ILE 17 N 0.62 1.10 -0.16 0.00 2.04 -0.93 -1.38 117.51 118.81 1u14 h ILE 17 Ca 0.16 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.46 1u14 h ILE 17 Cb 0.14 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1u14 h ILE 17 CO -0.02 0.15 -0.10 0.25 0.00 0.00 0.00 178.15 178.43 1u14 h LEU 18 N -0.36 -0.31 -0.60 1.44 5.85 -0.98 -0.89 115.31 119.45 1u14 h LEU 18 Ca -0.01 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1u14 h LEU 18 Cb 0.32 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1u14 h LEU 18 CO 0.02 -0.13 0.29 1.56 -0.34 0.00 0.00 178.44 179.83 1u14 h GLN 19 N -0.09 0.87 -0.23 1.25 4.20 -1.22 -1.20 115.11 118.68 1u14 h GLN 19 Ca 0.09 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1u14 h GLN 19 Cb 0.23 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1u14 h GLN 19 CO -0.21 0.70 0.05 0.00 -0.67 0.00 0.00 178.83 178.69 1u14 h ALA 20 N 1.12 0.31 -0.59 3.87 0.00 -1.09 -0.94 119.26 121.94 1u14 h ALA 20 Ca 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1u14 h ALA 20 Cb 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1u14 h ALA 20 CO -0.03 -0.02 0.23 0.74 0.00 0.00 0.00 179.25 180.17 1u14 h PHE 21 N 0.20 0.86 -0.23 0.00 -1.00 -1.00 -2.30 116.94 113.46 1u14 h PHE 21 Ca 0.07 -0.05 -0.13 0.00 2.81 0.00 0.00 57.97 60.67 1u14 h PHE 21 Cb 0.30 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 1u14 h PHE 21 CO 0.02 0.66 -0.42 0.93 -1.61 0.00 0.00 178.31 177.90 1u14 h GLU 22 N 0.84 0.56 -0.57 1.51 5.08 -1.10 -0.07 114.58 120.83 1u14 h GLU 22 Ca 0.20 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1u14 h GLU 22 Cb 0.17 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1u14 h GLU 22 CO -0.02 0.87 -0.04 1.49 -1.00 0.00 0.00 179.01 180.31 1u14 h GLU 23 N 0.46 1.03 0.16 2.33 4.57 -0.78 0.45 114.58 122.80 1u14 h GLU 23 Ca 0.04 -0.34 -0.24 0.00 -1.18 0.00 0.00 59.36 57.63 1u14 h GLU 23 Cb 0.92 -0.09 0.02 0.00 -0.16 0.00 0.00 28.75 29.44 1u14 h GLU 23 CO 0.08 1.03 -1.13 0.82 -1.18 0.00 0.00 179.01 178.63 1u14 h ILE 24 N 0.93 1.33 0.00 2.32 1.08 -1.32 -3.39 117.51 118.46 1u14 h ILE 24 Ca 0.16 -2.54 0.00 0.00 -0.39 0.00 0.00 64.86 62.09 1u14 h ILE 24 Cb 0.60 3.04 0.00 0.00 -3.07 0.00 0.00 36.82 37.39 1u14 h ILE 24 CO 0.04 0.74 -1.20 0.49 -0.69 0.00 0.00 178.15 177.53 1u14 n PHE 25 N -3.98 0.00 0.00 1.37 3.72 -0.05 -5.07 117.46 113.45 1u14 n PHE 25 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1u14 n PHE 25 Cb 0.91 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 1u14 n PHE 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u14 n GLY 26 N 1.44 2.87 3.72 1.37 0.00 0.14 -4.77 105.19 109.96 1u14 n GLY 26 Ca 0.01 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 1u14 n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1u14 n GLU 27 N 0.29 2.57 -1.17 1.61 2.13 -1.19 -1.82 120.64 123.07 1u14 n GLU 27 Ca 0.00 0.92 -0.06 0.00 0.66 0.00 0.00 57.16 58.68 1u14 n GLU 27 Cb 0.00 -2.71 -0.02 0.00 0.27 0.00 0.00 31.44 28.98 1u14 n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1u14 n GLY 28 N 2.91 0.78 0.07 8.31 0.00 -1.26 -4.90 105.19 111.09 1u14 n GLY 28 Ca 0.12 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.88 1u14 n GLY 28 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u14 n SER 29 N 0.14 0.51 -4.25 1.61 3.41 -0.76 -4.95 113.62 109.34 1u14 n SER 29 Ca -0.06 0.19 -0.28 0.00 -0.26 0.00 0.00 58.87 58.46 1u14 n SER 29 Cb 0.27 1.07 -0.16 0.00 -0.26 0.00 0.00 64.21 65.13 1u14 n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u14 s HIS 31 N -0.49 2.95 -0.20 0.00 2.46 -0.21 -4.94 115.29 114.85 1u14 s HIS 31 Ca 0.08 -0.94 -0.13 0.00 0.47 0.00 0.00 55.06 54.54 1u14 s HIS 31 Cb -0.09 -2.08 -0.05 0.00 -0.13 0.00 0.00 32.58 30.23 1u14 s HIS 31 CO -0.01 -0.53 0.27 0.42 -2.47 0.00 0.00 174.74 172.42 1u14 s ILE 32 N 1.40 5.30 -0.39 0.89 1.09 -1.26 -1.17 121.20 127.06 1u14 s ILE 32 Ca 0.05 0.44 -0.06 0.00 -1.10 0.00 0.00 60.65 59.98 1u14 s ILE 32 Cb -0.14 -3.60 0.08 0.00 -1.06 0.00 0.00 42.46 37.73 1u14 s ILE 32 CO -0.03 0.34 0.19 -0.89 -0.10 0.00 0.00 174.94 174.44 1u14 s THR 33 N 0.90 3.71 0.20 2.92 2.01 -0.29 -4.98 115.64 120.11 1u14 s THR 33 Ca 0.13 -1.56 -0.30 0.00 0.31 0.00 0.00 61.69 60.27 1u14 s THR 33 Cb -0.13 -3.31 -0.09 0.00 0.01 0.00 0.00 72.50 68.98 1u14 s THR 33 CO 0.05 -0.47 1.27 -2.84 -0.69 0.00 0.00 174.62 171.94 1u14 s PRO 34 N 1.31 4.42 0.01 4.92 0.02 -1.26 -0.96 135.00 143.46 1u14 s PRO 34 Ca 0.03 2.00 0.01 0.00 0.02 0.00 0.00 61.00 63.06 1u14 s PRO 34 Cb -0.22 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.09 1u14 s PRO 34 CO -0.00 -0.19 -0.04 0.14 -0.33 0.00 0.00 177.00 176.58 1u14 s VAL 35 N -0.01 0.25 -0.39 3.83 -7.23 -0.30 -4.92 120.40 111.62 1u14 s VAL 35 Ca 0.55 -0.41 -0.20 0.00 -1.81 0.00 0.00 61.98 60.12 1u14 s VAL 35 Cb -0.35 -0.27 0.01 0.00 0.56 0.00 0.00 36.38 36.33 1u14 s VAL 35 CO 0.38 -0.10 0.60 0.00 -0.31 0.00 0.00 175.10 175.67 1u14 s ALA 36 N -0.51 3.42 0.13 1.32 0.00 -1.26 -2.07 121.76 122.79 1u14 s ALA 36 Ca -0.04 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.93 1u14 s ALA 36 Cb -0.04 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1u14 s ALA 36 CO -0.00 -1.48 -0.11 0.14 0.00 0.00 0.00 175.76 174.31 1u14 s VAL 37 N 2.64 1.19 0.28 0.00 -7.23 -1.26 -5.05 120.40 110.98 1u14 s VAL 37 Ca 0.22 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 1u14 s VAL 37 Cb -0.15 -1.66 -0.08 0.00 0.56 0.00 0.00 36.38 35.05 1u14 s VAL 37 CO 0.16 -0.61 0.65 -1.83 -0.31 0.00 0.00 175.10 173.17 1u14 s GLU 38 N -3.23 3.91 0.00 4.82 -1.05 -1.26 -4.95 118.70 116.94 1u14 s GLU 38 Ca 0.12 0.49 0.25 0.00 -0.15 0.00 0.00 54.97 55.68 1u14 s GLU 38 Cb -0.01 -2.52 0.43 0.00 -0.44 0.00 0.00 34.13 31.59 1u14 s GLU 38 CO 0.01 0.22 1.36 -1.13 0.95 0.00 0.00 175.26 176.68 1u14 n SER 39 N -0.28 0.55 0.00 0.83 3.41 -1.26 -4.26 113.62 112.60 1u14 n SER 39 Ca 0.02 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1u14 n SER 39 Cb 0.53 0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1u14 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u14 n GLY 40 N 1.50 1.14 3.25 5.00 0.00 -1.26 -4.63 105.19 110.19 1u14 n GLY 40 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1u14 n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u14 s VAL 41 N -2.98 1.03 0.54 1.61 -7.23 -1.26 -5.14 120.40 106.98 1u14 s VAL 41 Ca 0.00 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 57.93 1u14 s VAL 41 Cb 0.00 -1.95 -0.07 0.00 0.56 0.00 0.00 36.38 34.92 1u14 s VAL 41 CO 0.00 -0.66 0.95 -2.65 -0.31 0.00 0.00 175.10 172.43 1u14 n PRO 42 N -0.22 1.05 -1.93 4.82 -0.02 -1.26 -4.94 135.00 132.50 1u14 n PRO 42 Ca -0.09 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.37 1u14 n PRO 42 Cb 0.61 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.98 1u14 n PRO 42 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1u14 s GLU 43 N -2.45 4.21 -0.55 -0.52 0.41 -1.26 -4.08 118.70 114.46 1u14 s GLU 43 Ca 0.71 2.43 -0.01 0.00 -0.41 0.00 0.00 54.97 57.68 1u14 s GLU 43 Cb -0.46 -3.01 -0.02 0.00 -1.78 0.00 0.00 34.13 28.86 1u14 s GLU 43 CO 0.51 -0.40 0.50 0.94 -0.49 0.00 0.00 175.26 176.32 1u14 n GLN 44 N 0.72 -1.07 -1.70 1.61 7.27 -1.25 -5.00 117.38 117.96 1u14 n GLN 44 Ca 0.01 0.91 -0.36 0.00 0.07 0.00 0.00 57.00 57.63 1u14 n GLN 44 Cb 0.40 -4.23 0.07 0.00 2.41 0.00 0.00 30.24 28.89 1u14 n GLN 44 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1u14 s PRO 45 N -3.34 2.49 -0.21 3.69 0.02 -1.25 -4.70 135.00 131.70 1u14 s PRO 45 Ca 0.11 1.96 -0.18 0.00 0.02 0.00 0.00 61.00 62.91 1u14 s PRO 45 Cb -0.01 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 1u14 s PRO 45 CO 0.47 -1.62 0.51 -0.06 -0.33 0.00 0.00 177.00 175.98 1u14 s PHE 46 N -1.57 3.36 0.00 6.54 0.08 -1.26 -1.64 117.98 123.49 1u14 s PHE 46 Ca 0.80 0.75 0.00 0.00 0.12 0.00 0.00 56.93 58.60 1u14 s PHE 46 Cb -0.34 -2.67 0.00 0.00 -0.57 0.00 0.00 43.02 39.44 1u14 s PHE 46 CO 0.40 -0.12 0.00 0.41 -0.10 0.00 0.00 175.22 175.81 1u14 n GLY 47 N 3.95 2.64 0.11 4.36 0.00 0.52 -4.63 105.19 112.13 1u14 n GLY 47 Ca -0.05 -1.57 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 1u14 n GLY 47 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1u14 h SER 48 N 0.00 0.22 -0.69 1.61 0.87 -1.92 -1.71 113.55 111.92 1u14 h SER 48 Ca 0.00 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 1u14 h SER 48 Cb 0.00 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1u14 h SER 48 CO 0.00 0.16 0.22 -0.33 -0.53 0.00 0.00 176.83 176.35 1u14 h GLU 49 N 0.26 1.08 -0.60 2.24 3.07 -1.98 -1.40 114.58 117.25 1u14 h GLU 49 Ca 0.07 -0.22 -0.10 0.00 -0.50 0.00 0.00 59.36 58.61 1u14 h GLU 49 Cb -0.03 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.70 1u14 h GLU 49 CO -0.02 0.92 -0.03 0.93 -1.40 0.00 0.00 179.01 179.41 1u14 h GLU 50 N 1.04 1.07 -0.19 2.33 3.07 -1.79 -0.89 114.58 119.23 1u14 h GLU 50 Ca 0.23 -0.36 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 1u14 h GLU 50 Cb 0.29 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1u14 h GLU 50 CO -0.01 1.06 0.09 1.15 -1.40 0.00 0.00 179.01 179.90 1u14 h THR 51 N 0.97 1.14 -0.93 1.13 2.02 -0.97 -1.69 112.91 114.57 1u14 h THR 51 Ca 0.17 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1u14 h THR 51 Cb 0.60 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 1u14 h THR 51 CO 0.04 0.13 0.58 -0.09 0.37 0.00 0.00 175.52 176.55 1u14 h ARG 52 N 0.18 1.25 -0.83 6.66 2.43 -1.11 -2.12 114.38 120.84 1u14 h ARG 52 Ca 0.07 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1u14 h ARG 52 Cb 0.13 -0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 1u14 h ARG 52 CO -0.01 0.86 0.54 0.00 -1.51 0.00 0.00 179.97 179.85 1u14 h ALA 53 N 1.37 1.06 -0.58 2.80 0.00 -0.98 -0.05 119.26 122.88 1u14 h ALA 53 Ca 0.34 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1u14 h ALA 53 Cb -0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.34 1u14 h ALA 53 CO -0.07 0.43 0.34 0.78 0.00 0.00 0.00 179.25 180.73 1u14 h GLY 54 N 1.10 0.82 0.95 0.00 0.00 -0.77 -0.05 103.07 105.11 1u14 h GLY 54 Ca 0.31 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 1u14 h GLY 54 CO -0.08 0.20 0.08 0.00 0.00 0.00 0.00 176.54 176.74 1u14 h ALA 55 N 1.27 0.56 -0.62 3.60 0.00 -0.85 -1.04 119.26 122.18 1u14 h ALA 55 Ca 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1u14 h ALA 55 Cb 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1u14 h ALA 55 CO -0.12 0.26 0.32 0.00 0.00 0.00 0.00 179.25 179.71 1u14 h ARG 56 N 0.55 0.87 -0.66 0.00 3.08 -0.76 -1.51 114.38 115.95 1u14 h ARG 56 Ca 0.13 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1u14 h ARG 56 Cb 0.36 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1u14 h ARG 56 CO 0.01 0.68 0.44 -0.91 -1.07 0.00 0.00 179.97 179.12 1u14 h ASN 57 N 0.84 0.75 -0.70 7.04 2.35 -0.79 -1.44 115.58 123.63 1u14 h ASN 57 Ca 0.21 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1u14 h ASN 57 Cb 0.08 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1u14 h ASN 57 CO -0.03 0.54 0.41 0.03 -1.65 0.00 0.00 177.43 176.74 1u14 h ARG 58 N 0.89 0.96 -0.42 0.81 3.08 -0.82 -1.22 114.38 117.66 1u14 h ARG 58 Ca 0.24 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1u14 h ARG 58 Cb -0.10 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 1u14 h ARG 58 CO -0.05 0.69 0.20 0.28 -1.07 0.00 0.00 179.97 180.02 1u14 h VAL 59 N 0.96 1.18 -0.77 2.04 2.07 -1.00 -0.09 116.25 120.63 1u14 h VAL 59 Ca 0.25 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1u14 h VAL 59 Cb -0.01 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1u14 h VAL 59 CO -0.05 0.19 0.45 0.44 0.02 0.00 0.00 177.57 178.63 1u14 h ASP 60 N 0.54 0.94 0.02 0.57 3.32 -0.96 -0.90 116.42 119.95 1u14 h ASP 60 Ca 0.14 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 1u14 h ASP 60 Cb 0.12 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1u14 h ASP 60 CO -0.02 0.74 -0.58 0.78 -1.72 0.00 0.00 179.24 178.44 1u14 h ASN 61 N 1.06 0.64 -0.79 6.45 2.35 -1.06 -1.64 115.58 122.60 1u14 h ASN 61 Ca 0.27 -0.36 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 1u14 h ASN 61 Cb -0.01 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 1u14 h ASN 61 CO -0.05 1.08 0.37 0.00 -1.65 0.00 0.00 177.43 177.19 1u14 h ALA 62 N 0.93 1.16 -0.56 -0.83 0.00 -0.64 -1.42 119.26 117.90 1u14 h ALA 62 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1u14 h ALA 62 Cb 1.14 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1u14 h ALA 62 CO 0.11 0.63 0.15 0.00 0.00 0.00 0.00 179.25 180.14 1u14 h ARG 63 N 1.13 0.89 -0.78 0.00 3.08 -0.90 -0.56 114.38 117.24 1u14 h ARG 63 Ca 0.27 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1u14 h ARG 63 Cb 0.12 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1u14 h ARG 63 CO -0.03 0.83 0.42 0.00 -1.07 0.00 0.00 179.97 180.12 1u14 h ARG 64 N 0.80 1.09 -0.12 0.04 3.08 -0.87 -1.94 114.38 116.45 1u14 h ARG 64 Ca 0.18 -0.12 -0.20 0.00 0.07 0.00 0.00 59.98 59.90 1u14 h ARG 64 Cb 0.33 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1u14 h ARG 64 CO 0.00 0.80 -0.75 1.25 -1.07 0.00 0.00 179.97 180.20 1u14 h LEU 65 N 1.10 0.72 -6.02 3.04 5.85 -1.05 -3.38 115.31 115.57 1u14 h LEU 65 Ca 0.28 -0.47 -0.57 0.00 0.84 0.00 0.00 57.88 57.96 1u14 h LEU 65 Cb 0.03 -0.21 -0.40 0.00 0.37 0.00 0.00 40.66 40.45 1u14 h LEU 65 CO -0.04 1.24 -0.90 1.41 -0.34 0.00 0.00 178.44 179.81 1u14 n HIS 66 N -3.89 1.42 0.31 1.25 8.25 -0.24 -4.98 115.22 117.34 1u14 n HIS 66 Ca -0.06 -3.83 0.16 0.00 -0.26 0.00 0.00 57.72 53.73 1u14 n HIS 66 Cb 0.72 -0.44 0.73 0.00 1.12 0.00 0.00 29.99 32.12 1u14 n HIS 66 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1u14 h PRO 67 N 3.90 0.00 -0.67 -0.41 0.13 -1.54 -3.19 132.00 130.22 1u14 h PRO 67 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1u14 h PRO 67 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1u14 h PRO 67 CO 0.62 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.43 1u14 n GLN 68 N -2.72 2.60 -1.53 0.86 1.13 -1.26 -4.96 117.38 111.49 1u14 n GLN 68 Ca -0.00 -2.48 -0.22 0.00 -1.94 0.00 0.00 57.00 52.35 1u14 n GLN 68 Cb 0.19 -1.54 0.15 0.00 0.11 0.00 0.00 30.24 29.15 1u14 n GLN 68 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u14 n ALA 69 N 1.53 -1.04 -0.12 -1.58 0.00 -1.21 -5.03 120.51 113.06 1u14 n ALA 69 Ca 0.23 -1.35 -0.17 0.00 0.00 0.00 0.00 53.44 52.15 1u14 n ALA 69 Cb 0.59 -0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.89 1u14 n ALA 69 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u14 n ASP 70 N -3.59 2.08 -4.05 0.00 8.00 -0.52 -4.98 116.55 113.49 1u14 n ASP 70 Ca 0.13 -0.13 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1u14 n ASP 70 Cb 0.45 -0.35 -0.11 0.00 -0.02 0.00 0.00 41.12 41.08 1u14 n ASP 70 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1u14 s PHE 71 N -2.48 0.61 -0.06 1.24 0.08 -0.75 -4.39 117.98 112.24 1u14 s PHE 71 Ca -0.32 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.24 1u14 s PHE 71 Cb 0.08 -0.37 0.01 0.00 -0.57 0.00 0.00 43.02 42.17 1u14 s PHE 71 CO 0.56 -0.10 -0.12 -1.58 -0.10 0.00 0.00 175.22 173.88 1u14 s TRP 72 N -1.42 1.39 -0.03 0.36 0.51 -0.32 -0.43 118.94 119.00 1u14 s TRP 72 Ca -0.11 -0.48 0.01 0.00 -2.12 0.00 0.00 56.10 53.41 1u14 s TRP 72 Cb -0.10 -1.01 0.01 0.00 -0.81 0.00 0.00 33.47 31.56 1u14 s TRP 72 CO 0.00 -0.24 -0.06 0.08 -0.51 0.00 0.00 176.95 176.22 1u14 s VAL 73 N 0.57 0.58 0.08 4.03 1.01 -0.21 -0.96 120.40 125.50 1u14 s VAL 73 Ca -0.12 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.72 1u14 s VAL 73 Cb -0.15 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1u14 s VAL 73 CO 0.03 0.22 -0.16 0.00 0.00 0.00 0.00 175.10 175.18 1u14 s ALA 74 N 0.60 1.38 -0.21 5.51 0.00 -0.35 -0.59 121.76 128.10 1u14 s ALA 74 Ca -0.08 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.80 1u14 s ALA 74 Cb -0.12 -0.15 0.06 0.00 0.00 0.00 0.00 23.12 22.91 1u14 s ALA 74 CO 0.00 0.23 -0.02 0.42 0.00 0.00 0.00 175.76 176.40 1u14 s ILE 75 N -1.21 1.09 -0.16 0.00 1.01 -1.26 -1.34 121.20 119.33 1u14 s ILE 75 Ca 0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1u14 s ILE 75 Cb -0.10 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 1u14 s ILE 75 CO 0.03 -0.10 -0.11 -0.70 0.00 0.00 0.00 174.94 174.06 1u14 s GLU 76 N 1.61 3.33 0.10 2.79 2.56 -0.28 -4.95 118.70 123.86 1u14 s GLU 76 Ca -0.03 -0.69 -0.21 0.00 0.00 0.00 0.00 54.97 54.04 1u14 s GLU 76 Cb -0.18 -2.74 -0.07 0.00 2.00 0.00 0.00 34.13 33.15 1u14 s GLU 76 CO -0.07 0.03 0.64 0.00 -0.56 0.00 0.00 175.26 175.30 1u14 s ALA 77 N 0.82 3.54 0.24 6.30 0.00 -1.26 -0.86 121.76 130.53 1u14 s ALA 77 Ca -0.04 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1u14 s ALA 77 Cb -0.15 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 1u14 s ALA 77 CO 0.01 0.34 0.28 0.41 0.00 0.00 0.00 175.76 176.80 1u14 n GLY 78 N 1.74 2.78 3.24 0.00 0.00 -0.18 -3.95 105.19 108.83 1u14 n GLY 78 Ca -0.08 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 1u14 n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u14 s ILE 79 N -2.80 1.69 -0.25 -0.61 -1.09 -0.65 -2.46 121.20 115.02 1u14 s ILE 79 Ca 0.24 -0.96 -0.28 0.00 -2.23 0.00 0.00 60.65 57.42 1u14 s ILE 79 Cb 0.00 -1.41 0.16 0.00 -1.58 0.00 0.00 42.46 39.63 1u14 s ILE 79 CO 0.17 0.44 1.23 -0.62 -1.23 0.00 0.00 174.94 174.92 1u14 s ASP 80 N -0.61 -0.20 -1.63 3.58 2.15 -0.55 -0.36 116.67 119.05 1u14 s ASP 80 Ca 0.08 0.29 -0.10 0.00 0.43 0.00 0.00 52.55 53.26 1u14 s ASP 80 Cb -0.08 0.26 0.09 0.00 -0.30 0.00 0.00 42.92 42.89 1u14 s ASP 80 CO -0.00 -0.13 0.40 0.47 -0.17 0.00 0.00 175.17 175.74 1u14 n ASP 81 N 1.11 -0.90 -2.76 -0.34 9.92 -1.26 -1.77 116.55 120.55 1u14 n ASP 81 Ca -0.07 -1.15 -0.21 0.00 -0.53 0.00 0.00 54.79 52.83 1u14 n ASP 81 Cb 0.58 -2.17 0.03 0.00 -0.64 0.00 0.00 41.12 38.92 1u14 n ASP 81 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1u14 n ASP 82 N -2.76 -5.78 -3.96 -2.24 9.92 -1.26 -4.96 116.55 105.52 1u14 n ASP 82 Ca -0.13 -0.25 -0.08 0.00 -0.53 0.00 0.00 54.79 53.79 1u14 n ASP 82 Cb 0.59 -4.61 -0.09 0.00 -0.64 0.00 0.00 41.12 36.38 1u14 n ASP 82 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1u14 s ALA 83 N -3.12 0.07 0.05 2.24 0.00 -0.73 -1.36 121.76 118.91 1u14 s ALA 83 Ca 0.27 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1u14 s ALA 83 Cb -0.12 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1u14 s ALA 83 CO 0.33 -0.40 0.11 -0.08 0.00 0.00 0.00 175.76 175.72 1u14 s THR 84 N -3.47 4.79 0.17 0.00 -1.32 -0.58 -1.49 115.64 113.75 1u14 s THR 84 Ca 0.02 -0.57 -0.24 0.00 -1.21 0.00 0.00 61.69 59.70 1u14 s THR 84 Cb 0.04 -3.28 0.06 0.00 -1.51 0.00 0.00 72.50 67.81 1u14 s THR 84 CO -0.09 0.20 0.94 0.72 -2.21 0.00 0.00 174.62 174.18 1u14 s PHE 85 N -1.35 -0.11 0.11 9.09 -0.12 -1.03 -1.28 117.98 123.29 1u14 s PHE 85 Ca 0.28 -0.23 0.05 0.00 -0.05 0.00 0.00 56.93 56.99 1u14 s PHE 85 Cb -0.12 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1u14 s PHE 85 CO 0.21 -0.89 -0.13 -1.54 -0.05 0.00 0.00 175.22 172.81 1u14 s SER 86 N -2.98 1.83 -0.13 1.98 1.04 -1.26 -1.01 113.70 113.17 1u14 s SER 86 Ca 0.13 -0.80 -0.05 0.00 0.48 0.00 0.00 55.95 55.70 1u14 s SER 86 Cb -0.02 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1u14 s SER 86 CO 0.03 -0.18 0.06 0.26 0.98 0.00 0.00 173.24 174.40 1u14 s TRP 87 N -2.19 3.32 -0.16 5.02 0.52 -0.04 -0.52 118.94 124.89 1u14 s TRP 87 Ca 0.08 0.25 -0.05 0.00 0.02 0.00 0.00 56.10 56.40 1u14 s TRP 87 Cb -0.04 -1.93 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 1u14 s TRP 87 CO 0.02 0.44 0.00 0.08 0.02 0.00 0.00 176.95 177.52 1u14 s VAL 88 N -0.51 4.28 -0.10 4.03 1.01 0.32 -1.12 120.40 128.31 1u14 s VAL 88 Ca 0.10 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1u14 s VAL 88 Cb -0.12 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1u14 s VAL 88 CO 0.02 0.50 -0.10 -0.69 0.00 0.00 0.00 175.10 174.83 1u14 s VAL 89 N 0.18 1.13 -0.10 2.92 1.01 -0.45 -1.54 120.40 123.56 1u14 s VAL 89 Ca 0.01 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1u14 s VAL 89 Cb -0.13 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 1u14 s VAL 89 CO 0.02 0.37 -0.24 -0.63 0.00 0.00 0.00 175.10 174.62 1u14 s ILE 90 N 1.23 2.03 -0.05 2.22 1.01 -0.03 -1.21 121.20 126.41 1u14 s ILE 90 Ca -0.04 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.65 1u14 s ILE 90 Cb -0.14 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.57 1u14 s ILE 90 CO -0.03 0.55 -0.19 -0.62 0.00 0.00 0.00 174.94 174.65 1u14 s ASP 91 N 0.32 2.38 -0.05 3.58 -1.08 -0.14 -0.40 116.67 121.28 1u14 s ASP 91 Ca -0.18 -0.40 0.16 0.00 -0.52 0.00 0.00 52.55 51.61 1u14 s ASP 91 Cb -0.18 -0.71 0.50 0.00 -1.46 0.00 0.00 42.92 41.07 1u14 s ASP 91 CO 0.09 0.17 1.42 -0.46 0.52 0.00 0.00 175.17 176.90 1u14 n ASN 92 N 3.17 3.69 0.00 -0.34 6.94 -0.74 -1.17 115.26 126.81 1u14 n ASN 92 Ca -0.18 -2.24 0.00 0.00 -0.02 0.00 0.00 54.58 52.13 1u14 n ASN 92 Cb 0.53 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1u14 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u14 n GLY 93 N 0.74 1.28 1.59 4.83 0.00 -1.26 -4.76 105.19 107.61 1u14 n GLY 93 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1u14 n GLY 93 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u14 n VAL 94 N -2.00 0.01 -4.18 1.61 0.31 -1.26 -5.10 118.33 107.72 1u14 n VAL 94 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 1u14 n VAL 94 Cb 0.00 -0.92 -0.08 0.00 -0.91 0.00 0.00 33.84 31.94 1u14 n VAL 94 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1u14 s GLN 95 N -2.00 2.47 -0.01 5.55 2.00 -1.26 -5.14 119.66 121.28 1u14 s GLN 95 Ca 0.00 -1.02 0.05 0.00 -2.00 0.00 0.00 55.36 52.39 1u14 s GLN 95 Cb 0.00 -2.42 -0.01 0.00 0.80 0.00 0.00 33.01 31.37 1u14 s GLN 95 CO 0.00 0.48 -0.17 0.50 -0.50 0.00 0.00 175.29 175.60 1u14 s ARG 96 N -2.79 1.35 -0.03 1.67 3.52 -1.26 -1.80 118.95 119.62 1u14 s ARG 96 Ca 0.27 -0.63 0.06 0.00 -0.13 0.00 0.00 55.73 55.29 1u14 s ARG 96 Cb -0.10 -1.32 -0.01 0.00 -1.56 0.00 0.00 34.95 31.96 1u14 s ARG 96 CO 0.19 0.36 -0.19 0.20 -0.81 0.00 0.00 175.30 175.04 1u14 s GLY 97 N -0.48 0.98 -0.00 8.12 0.00 0.46 -4.94 107.32 111.46 1u14 s GLY 97 Ca 0.06 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.98 1u14 s GLY 97 CO -0.00 -0.60 -0.03 -0.54 0.00 0.00 0.00 173.10 171.93 1u14 s GLU 98 N -0.29 0.24 -0.02 2.90 2.02 -1.26 -0.85 118.70 121.43 1u14 s GLU 98 Ca 0.03 -0.14 -0.12 0.00 0.02 0.00 0.00 54.97 54.77 1u14 s GLU 98 Cb -0.09 -0.21 0.02 0.00 0.10 0.00 0.00 34.13 33.95 1u14 s GLU 98 CO 0.00 0.06 0.26 0.00 0.02 0.00 0.00 175.26 175.60 1u14 s ALA 99 N -0.15 -0.65 -0.09 5.21 0.00 -0.59 -4.70 121.76 120.80 1u14 s ALA 99 Ca 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.12 1u14 s ALA 99 Cb -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 1u14 s ALA 99 CO -0.00 -0.23 0.23 0.50 0.00 0.00 0.00 175.76 176.26 1u14 s ARG 100 N -1.15 3.71 0.92 0.00 3.52 -1.26 -0.52 118.95 124.16 1u14 s ARG 100 Ca -0.12 0.05 -0.12 0.00 -0.13 0.00 0.00 55.73 55.41 1u14 s ARG 100 Cb -0.05 -3.24 0.14 0.00 -1.56 0.00 0.00 34.95 30.24 1u14 s ARG 100 CO 0.03 0.67 1.09 -1.54 -0.81 0.00 0.00 175.30 174.74 1u14 s SER 101 N -0.81 3.32 0.63 -2.12 1.04 0.32 -4.88 113.70 111.21 1u14 s SER 101 Ca 0.17 1.40 -0.18 0.00 0.48 0.00 0.00 55.95 57.83 1u14 s SER 101 Cb -0.13 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 1u14 s SER 101 CO 0.06 -2.72 1.00 0.00 0.98 0.00 0.00 173.24 172.56 1u14 n ALA 102 N -3.93 0.23 -2.51 5.32 0.00 -1.26 -4.63 120.51 113.73 1u14 n ALA 102 Ca 0.07 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 1u14 n ALA 102 Cb 0.56 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.83 1u14 n ALA 102 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1u14 s THR 103 N -1.54 5.02 -0.25 0.00 -4.23 -1.26 -4.66 115.64 108.71 1u14 s THR 103 Ca 0.77 0.14 0.02 0.00 -1.18 0.00 0.00 61.69 61.44 1u14 s THR 103 Cb -0.40 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 69.79 1u14 s THR 103 CO 0.46 -0.24 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.97 1u14 s LEU 104 N -3.32 3.19 0.23 4.79 2.96 -0.41 -4.98 118.68 121.15 1u14 s LEU 104 Ca 0.44 -1.20 -0.31 0.00 -0.22 0.00 0.00 54.13 52.85 1u14 s LEU 104 Cb -0.11 -1.56 -0.10 0.00 0.50 0.00 0.00 46.19 44.92 1u14 s LEU 104 CO 0.28 -0.15 1.54 -2.16 -1.32 0.00 0.00 176.35 174.53 1u14 s PRO 105 N 1.17 4.21 -0.02 0.98 0.04 -1.26 -1.53 135.00 138.58 1u14 s PRO 105 Ca -0.05 2.41 -0.06 0.00 0.04 0.00 0.00 61.00 63.34 1u14 s PRO 105 Cb -0.18 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1u14 s PRO 105 CO -0.06 -0.56 0.22 -0.51 0.04 0.00 0.00 177.00 176.13 1u14 s LEU 106 N 0.23 4.38 0.57 -3.56 1.43 -0.47 -4.91 118.68 116.35 1u14 s LEU 106 Ca 0.65 0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 54.03 1u14 s LEU 106 Cb -0.44 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 1u14 s LEU 106 CO 0.39 0.29 1.28 -2.84 0.23 0.00 0.00 176.35 175.70 1u14 s PRO 107 N -1.65 3.05 0.27 1.29 0.02 -1.26 -4.76 135.00 131.95 1u14 s PRO 107 Ca 0.25 2.03 -0.02 0.00 0.02 0.00 0.00 61.00 63.27 1u14 s PRO 107 Cb -0.13 -2.10 0.41 0.00 0.02 0.00 0.00 34.50 32.71 1u14 s PRO 107 CO 0.14 -1.20 1.88 0.00 -0.33 0.00 0.00 177.00 177.49 1u14 h ALA 108 N 1.18 1.39 -0.01 -1.55 0.00 -1.98 0.44 119.26 118.74 1u14 h ALA 108 Ca -0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1u14 h ALA 108 Cb 1.30 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1u14 h ALA 108 CO 0.56 0.42 -0.06 -0.24 0.00 0.00 0.00 179.25 179.93 1u14 h VAL 109 N 1.16 1.05 0.17 0.00 3.04 -2.00 0.92 116.25 120.58 1u14 h VAL 109 Ca 0.44 -0.24 -0.24 0.00 -1.01 0.00 0.00 66.70 65.64 1u14 h VAL 109 Cb 0.19 1.12 0.02 0.00 -2.01 0.00 0.00 31.29 30.61 1u14 h VAL 109 CO -0.18 0.07 -1.11 0.40 -1.01 0.00 0.00 177.57 175.74 1u14 h ILE 110 N 0.01 1.36 -0.85 3.17 1.08 -1.65 -3.33 117.51 117.30 1u14 h ILE 110 Ca 0.00 -2.55 0.03 0.00 -0.39 0.00 0.00 64.86 61.94 1u14 h ILE 110 Cb 0.12 3.07 -0.05 0.00 -3.07 0.00 0.00 36.82 36.90 1u14 h ILE 110 CO 0.01 0.74 0.56 -0.07 -0.69 0.00 0.00 178.15 178.70 1u14 h LEU 111 N -0.22 0.93 -1.64 1.44 3.38 -0.40 -1.50 115.31 117.30 1u14 h LEU 111 Ca -0.20 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1u14 h LEU 111 Cb 1.81 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.30 1u14 h LEU 111 CO 0.17 0.65 0.37 0.44 0.09 0.00 0.00 178.44 180.16 1u14 h ASP 112 N 1.08 0.37 0.10 -0.43 3.32 -0.96 0.06 116.42 119.96 1u14 h ASP 112 Ca 0.33 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.25 1u14 h ASP 112 Cb -0.02 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.47 1u14 h ASP 112 CO -0.09 0.23 -0.57 0.03 -1.72 0.00 0.00 179.24 177.12 1u14 h ARG 113 N 0.42 0.21 0.00 3.56 2.47 -1.49 -3.01 114.38 116.54 1u14 h ARG 113 Ca 0.25 -0.36 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 1u14 h ARG 113 Cb 0.45 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1u14 h ARG 113 CO -0.07 1.17 -0.03 -0.39 0.56 0.00 0.00 179.97 181.21 1u14 h VAL 114 N -0.56 0.32 0.00 2.04 -1.51 -0.87 -2.04 116.25 113.63 1u14 h VAL 114 Ca -0.10 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 1u14 h VAL 114 Cb 1.45 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1u14 h VAL 114 CO 0.11 0.03 -0.29 0.54 -1.23 0.00 0.00 177.57 176.72 1u14 n ARG 115 N -3.47 0.25 -0.63 5.19 1.74 -0.03 -1.74 116.66 117.97 1u14 n ARG 115 Ca -0.02 0.14 -0.06 0.00 -0.77 0.00 0.00 57.85 57.13 1u14 n ARG 115 Cb 0.14 -1.72 0.16 0.00 -1.02 0.00 0.00 32.46 30.01 1u14 n ARG 115 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1u14 n GLN 116 N -2.13 2.38 -0.69 5.56 6.02 -0.78 -4.95 117.38 122.80 1u14 n GLN 116 Ca 0.05 -1.77 0.00 0.00 -0.01 0.00 0.00 57.00 55.26 1u14 n GLN 116 Cb 0.43 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.89 1u14 n GLN 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u14 n GLY 117 N -0.10 0.76 3.79 1.08 0.00 -0.71 -5.05 105.19 104.96 1u14 n GLY 117 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 1u14 n GLY 117 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u14 s GLU 118 N -0.31 4.52 0.30 1.61 2.12 -1.13 -5.00 118.70 120.81 1u14 s GLU 118 Ca 0.00 1.32 -0.29 0.00 0.36 0.00 0.00 54.97 56.36 1u14 s GLU 118 Cb 0.00 -2.71 -0.10 0.00 0.26 0.00 0.00 34.13 31.58 1u14 s GLU 118 CO 0.00 0.22 1.11 0.00 -0.54 0.00 0.00 175.26 176.05 1u14 s ALA 119 N -1.68 3.38 0.23 6.30 0.00 -1.26 -4.31 121.76 124.42 1u14 s ALA 119 Ca 0.52 0.91 -0.07 0.00 0.00 0.00 0.00 51.96 53.32 1u14 s ALA 119 Cb -0.18 -3.33 0.30 0.00 0.00 0.00 0.00 23.12 19.91 1u14 s ALA 119 CO 0.23 -0.21 1.83 1.25 0.00 0.00 0.00 175.76 178.86 1u14 h LEU 120 N 3.64 0.68 0.16 0.00 5.85 -1.97 -2.85 115.31 120.83 1u14 h LEU 120 Ca -0.47 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.28 1u14 h LEU 120 Cb 1.21 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1u14 h LEU 120 CO 0.66 0.43 -0.44 1.23 -0.34 0.00 0.00 178.44 179.99 1u14 h GLY 121 N 0.81 -1.18 0.44 3.75 0.00 -2.00 -2.47 103.07 102.43 1u14 h GLY 121 Ca 0.34 0.61 0.15 0.00 0.00 0.00 0.00 47.33 48.43 1u14 h GLY 121 CO -0.19 -0.31 0.60 -2.55 0.00 0.00 0.00 176.54 174.09 1u14 h PRO 122 N -0.67 0.76 -0.43 4.80 0.11 -1.96 0.12 132.00 134.74 1u14 h PRO 122 Ca -0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1u14 h PRO 122 Cb 0.65 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1u14 h PRO 122 CO -0.20 0.50 0.00 0.28 -0.21 0.00 0.00 178.00 178.37 1u14 n VAL 123 N -4.61 0.03 0.00 3.15 0.31 -0.93 -1.66 118.33 114.62 1u14 n VAL 123 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1u14 n VAL 123 Cb 0.46 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 1u14 n VAL 123 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1u14 n SER 125 N 0.48 0.00 -0.12 4.52 7.64 0.42 -0.99 113.62 125.57 1u14 n SER 125 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1u14 n SER 125 Cb 0.05 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.27 1u14 n SER 125 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1u14 h GLN 126 N 0.00 0.91 -0.35 1.43 5.75 -1.58 0.37 115.11 121.65 1u14 h GLN 126 Ca 0.00 -0.43 -0.11 0.00 -0.15 0.00 0.00 58.65 57.96 1u14 h GLN 126 Cb 0.00 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1u14 h GLN 126 CO 0.00 1.08 -0.22 -0.92 -2.65 0.00 0.00 178.83 176.12 1u14 h TYR 127 N 0.77 0.77 0.00 3.99 3.20 -1.33 -3.31 116.97 121.06 1u14 h TYR 127 Ca 0.08 -0.17 -0.07 0.00 3.14 0.00 0.00 58.73 61.72 1u14 h TYR 127 Cb 0.87 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1u14 h TYR 127 CO 0.05 0.85 -1.85 0.25 -1.64 0.00 0.00 178.16 175.82 1u14 n THR 128 N -4.12 0.26 -1.00 1.81 -2.24 -1.23 -5.00 114.28 102.76 1u14 n THR 128 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1u14 n THR 128 Cb 0.42 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1u14 n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u14 n GLY 129 N 1.65 0.67 3.53 3.38 0.00 0.12 -5.03 105.19 109.51 1u14 n GLY 129 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1u14 n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u14 s ILE 130 N -2.67 4.98 0.41 -0.61 1.01 -1.21 -5.01 121.20 118.10 1u14 s ILE 130 Ca 0.00 0.12 -0.26 0.00 0.00 0.00 0.00 60.65 60.51 1u14 s ILE 130 Cb 0.00 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 1u14 s ILE 130 CO 0.00 -0.37 1.29 -1.81 0.00 0.00 0.00 174.94 174.05 1u14 s ASP 131 N 1.84 6.28 -1.58 3.58 1.01 -1.26 -3.45 116.67 123.10 1u14 s ASP 131 Ca 0.18 2.63 -0.14 0.00 0.71 0.00 0.00 52.55 55.93 1u14 s ASP 131 Cb -0.15 -2.64 0.10 0.00 1.01 0.00 0.00 42.92 41.24 1u14 s ASP 131 CO 0.15 -0.87 0.85 -0.62 0.21 0.00 0.00 175.17 174.90 1u14 n GLU 132 N 0.06 -4.44 -0.17 8.23 1.02 -1.26 -4.86 120.64 119.23 1u14 n GLU 132 Ca 0.04 0.50 0.20 0.00 -0.02 0.00 0.00 57.16 57.88 1u14 n GLU 132 Cb 0.44 -5.25 0.57 0.00 -0.02 0.00 0.00 31.44 27.18 1u14 n GLU 132 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1u14 h ILE 133 N -1.84 0.70 0.00 -3.67 2.10 -1.83 -1.85 117.51 111.13 1u14 h ILE 133 Ca -0.59 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.26 1u14 h ILE 133 Cb 1.38 0.40 0.00 0.00 -1.09 0.00 0.00 36.82 37.51 1u14 h ILE 133 CO 0.71 0.05 0.00 1.23 -1.08 0.00 0.00 178.15 179.06 1u14 h GLY 134 N 0.28 0.00 -0.90 8.18 0.00 -1.89 -0.99 103.07 107.75 1u14 h GLY 134 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1u14 h GLY 134 CO -0.10 0.00 -0.06 0.54 0.00 0.00 0.00 176.54 176.92 1u14 n ARG 135 N -2.47 1.76 0.00 4.80 1.74 -0.70 -4.76 116.66 117.04 1u14 n ARG 135 Ca 0.01 -1.23 0.00 0.00 -0.77 0.00 0.00 57.85 55.86 1u14 n ARG 135 Cb 0.21 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1u14 n ARG 135 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1u14 n LYS 136 N 0.46 0.00 0.06 5.56 5.02 -0.76 -3.98 118.16 124.52 1u14 n LYS 136 Ca 0.16 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.58 1u14 n LYS 136 Cb 0.44 0.00 0.33 0.00 -0.02 0.00 0.00 35.03 35.78 1u14 n LYS 136 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1u14 n GLU 137 N 0.00 0.21 -0.28 1.97 1.02 -1.24 -4.62 120.64 117.70 1u14 n GLU 137 Ca 0.00 0.12 0.04 0.00 -0.02 0.00 0.00 57.16 57.30 1u14 n GLU 137 Cb 0.00 -1.69 -0.01 0.00 -0.02 0.00 0.00 31.44 29.72 1u14 n GLU 137 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u14 n GLY 138 N 1.36 -1.59 0.38 0.62 0.00 -0.45 -1.40 105.19 104.11 1u14 n GLY 138 Ca 0.05 -1.45 0.20 0.00 0.00 0.00 0.00 46.02 44.82 1u14 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u14 h ALA 139 N -0.26 2.04 -0.26 4.61 0.00 -1.96 -1.39 119.26 122.03 1u14 h ALA 139 Ca -0.00 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1u14 h ALA 139 Cb 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1u14 h ALA 139 CO 0.00 -0.46 0.13 0.82 0.00 0.00 0.00 179.25 179.74 1u14 h ILE 140 N 0.49 0.99 -0.64 0.00 2.04 -1.92 -1.11 117.51 117.37 1u14 h ILE 140 Ca 0.60 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 66.43 1u14 h ILE 140 Cb 1.35 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 1u14 h ILE 140 CO -0.35 0.05 0.36 1.23 0.00 0.00 0.00 178.15 179.43 1u14 h GLY 141 N 0.27 0.94 0.70 5.37 0.00 -0.16 -1.35 103.07 108.83 1u14 h GLY 141 Ca 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1u14 h GLY 141 CO -0.07 0.16 -0.05 -2.08 0.00 0.00 0.00 176.54 174.50 1u14 h VAL 142 N 0.67 1.07 0.00 4.60 2.07 -0.93 0.99 116.25 124.71 1u14 h VAL 142 Ca 0.29 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1u14 h VAL 142 Cb 0.17 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1u14 h VAL 142 CO -0.17 0.16 0.00 -0.26 0.02 0.00 0.00 177.57 177.32 1u14 h PHE 143 N -0.44 0.00 -0.74 1.57 0.04 -1.17 -2.60 116.94 113.60 1u14 h PHE 143 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1u14 h PHE 143 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1u14 h PHE 143 CO 0.03 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 177.99 1u14 n THR 144 N -2.36 1.01 -3.36 -1.55 -2.24 -0.51 -4.95 114.28 100.31 1u14 n THR 144 Ca 0.04 -1.00 -0.24 0.00 -2.27 0.00 0.00 64.05 60.59 1u14 n THR 144 Cb 0.39 0.49 0.02 0.00 -2.10 0.00 0.00 70.33 69.13 1u14 n THR 144 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u14 n ALA 145 N 1.66 -1.08 -0.97 6.98 0.00 -0.98 -1.72 120.51 124.40 1u14 n ALA 145 Ca 0.25 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1u14 n ALA 145 Cb 0.63 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.52 1u14 n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u14 n GLY 146 N -1.41 0.49 0.18 0.00 0.00 0.32 -4.89 105.19 99.87 1u14 n GLY 146 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1u14 n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u14 h LYS 147 N 1.18 0.00 -5.28 1.61 1.79 -1.59 -3.43 116.57 110.84 1u14 h LYS 147 Ca 0.00 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.09 1u14 h LYS 147 Cb 0.17 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.68 1u14 h LYS 147 CO 0.00 0.42 -0.72 -0.51 -1.08 0.00 0.00 179.45 177.56 1u14 s LEU 148 N -7.13 2.54 0.28 2.94 1.43 -1.26 -5.13 118.68 112.35 1u14 s LEU 148 Ca 0.00 -1.02 0.05 0.00 -1.03 0.00 0.00 54.13 52.13 1u14 s LEU 148 Cb 0.11 -0.49 -0.06 0.00 0.03 0.00 0.00 46.19 45.79 1u14 s LEU 148 CO 0.70 -0.26 -0.00 0.42 0.23 0.00 0.00 176.35 177.44 1u14 s THR 149 N -3.17 1.30 0.21 5.49 -4.23 -1.26 -3.53 115.64 110.44 1u14 s THR 149 Ca 0.19 -2.05 -0.14 0.00 -1.18 0.00 0.00 61.69 58.51 1u14 s THR 149 Cb 0.01 -2.51 0.22 0.00 1.34 0.00 0.00 72.50 71.56 1u14 s THR 149 CO 0.03 -0.22 1.63 -0.09 -0.54 0.00 0.00 174.62 175.43 1u14 h ARG 150 N 2.30 0.01 -0.48 3.99 2.43 -1.51 -1.52 114.38 119.60 1u14 h ARG 150 Ca -0.40 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.79 1u14 h ARG 150 Cb 1.23 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1u14 h ARG 150 CO 0.67 0.01 0.30 0.77 -1.51 0.00 0.00 179.97 180.21 1u14 h SER 151 N 0.01 0.51 0.65 -3.80 0.02 -1.84 -0.63 113.55 108.46 1u14 h SER 151 Ca 0.29 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.14 1u14 h SER 151 Cb 0.45 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1u14 h SER 151 CO -0.62 0.36 -0.45 0.77 -1.14 0.00 0.00 176.83 175.76 1u14 h SER 152 N 0.61 0.00 -0.01 3.07 4.64 -1.75 0.40 113.55 120.51 1u14 h SER 152 Ca 0.18 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.35 1u14 h SER 152 Cb -0.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1u14 h SER 152 CO -0.06 0.45 -0.57 0.58 -0.87 0.00 0.00 176.83 176.36 1u14 h VAL 153 N 0.00 1.43 -0.17 0.95 2.07 -1.20 -3.24 116.25 116.08 1u14 h VAL 153 Ca -0.00 -2.04 -0.05 0.00 0.82 0.00 0.00 66.70 65.42 1u14 h VAL 153 Cb 0.89 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 1u14 h VAL 153 CO 0.06 0.59 -0.11 1.88 0.02 0.00 0.00 177.57 180.01 1u14 h TYR 154 N -0.11 0.28 -0.39 1.57 0.05 -0.99 -2.61 116.97 114.76 1u14 h TYR 154 Ca -0.07 -0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.75 1u14 h TYR 154 Cb 1.28 -0.08 -0.06 0.00 1.01 0.00 0.00 36.73 38.87 1u14 h TYR 154 CO 0.15 0.38 -0.01 -0.92 -1.05 0.00 0.00 178.16 176.71 1u14 h TYR 155 N 0.25 -0.04 -0.61 4.88 3.20 -0.97 0.17 116.97 123.86 1u14 h TYR 155 Ca 0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1u14 h TYR 155 Cb 0.36 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1u14 h TYR 155 CO 0.01 -0.08 0.30 1.96 -1.64 0.00 0.00 178.16 178.70 1u14 h GLN 156 N 0.09 0.86 -0.91 1.82 4.20 -1.50 -1.35 115.11 118.33 1u14 h GLN 156 Ca 0.19 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1u14 h GLN 156 Cb 0.27 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 1u14 h GLN 156 CO -0.33 0.69 0.53 0.00 -0.67 0.00 0.00 178.83 179.05 1u14 h ALA 157 N 1.13 1.17 -0.33 3.87 0.00 -1.23 -0.66 119.26 123.22 1u14 h ALA 157 Ca 0.21 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1u14 h ALA 157 Cb 0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1u14 h ALA 157 CO -0.03 0.65 0.05 0.28 0.00 0.00 0.00 179.25 180.19 1u14 h VAL 158 N 1.27 1.24 -0.63 0.00 2.07 -0.76 -0.51 116.25 118.93 1u14 h VAL 158 Ca 0.32 -0.84 0.10 0.00 0.82 0.00 0.00 66.70 67.10 1u14 h VAL 158 Cb -0.01 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1u14 h VAL 158 CO -0.06 0.28 0.25 0.40 0.02 0.00 0.00 177.57 178.46 1u14 h ILE 159 N 0.37 0.77 -0.61 4.57 1.08 -0.91 -1.06 117.51 121.72 1u14 h ILE 159 Ca 0.10 -0.15 -0.06 0.00 -0.39 0.00 0.00 64.86 64.36 1u14 h ILE 159 Cb 0.36 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 1u14 h ILE 159 CO 0.01 0.08 0.16 -0.07 -0.69 0.00 0.00 178.15 177.63 1u14 h LEU 160 N 0.43 0.92 -1.40 1.44 3.38 -0.94 -2.44 115.31 116.69 1u14 h LEU 160 Ca 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1u14 h LEU 160 Cb 0.40 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1u14 h LEU 160 CO -0.31 0.91 -0.04 0.00 0.09 0.00 0.00 178.44 179.09 1u14 h ALA 161 N 1.04 1.01 0.00 1.53 0.00 -0.62 -2.32 119.26 119.91 1u14 h ALA 161 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1u14 h ALA 161 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1u14 h ALA 161 CO 0.00 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1u14 n LEU 162 N -3.16 0.00 -0.23 0.00 4.77 -0.44 -4.16 117.00 113.78 1u14 n LEU 162 Ca 0.00 0.38 0.03 0.00 -0.03 0.00 0.00 56.01 56.39 1u14 n LEU 162 Cb 0.33 -0.38 0.15 0.00 -2.33 0.00 0.00 43.42 41.19 1u14 n LEU 162 CO 0.28 -0.05 0.99 0.28 -1.33 0.00 0.00 177.39 177.57 1u14 h SER 163 N 0.00 0.21 0.15 -1.43 0.02 -1.41 -0.87 113.55 110.23 1u14 h SER 163 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1u14 h SER 163 Cb 0.33 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1u14 h SER 163 CO 0.00 0.10 0.00 -0.65 -1.14 0.00 0.00 176.83 175.14 1u14 h PRO 164 N 0.40 0.00 -0.30 3.45 0.11 -1.84 -3.01 132.00 130.82 1u14 h PRO 164 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1u14 h PRO 164 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1u14 h PRO 164 CO -0.38 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.60 1u14 n PHE 165 N -2.47 0.38 -2.12 0.65 3.72 -0.33 -4.23 117.46 113.05 1u14 n PHE 165 Ca -0.01 -0.20 -0.01 0.00 -0.05 0.00 0.00 57.45 57.18 1u14 n PHE 165 Cb 0.08 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.61 1u14 n PHE 165 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1u14 n HIS 166 N 1.40 0.00 -3.75 1.38 1.44 -1.18 -5.11 115.22 109.40 1u14 n HIS 166 Ca 0.17 -0.27 -0.23 0.00 -2.01 0.00 0.00 57.72 55.39 1u14 n HIS 166 Cb 0.58 0.16 -0.18 0.00 0.12 0.00 0.00 29.99 30.68 1u14 n HIS 166 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1u14 s ASN 167 N -1.00 1.54 0.00 4.39 0.01 -1.14 -5.08 114.94 113.66 1u14 s ASN 167 Ca 0.08 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 1u14 s ASN 167 Cb 0.10 -0.39 0.00 0.00 0.41 0.00 0.00 41.25 41.36 1u14 s ASN 167 CO -0.04 -0.21 0.00 0.00 -1.51 0.00 0.00 177.10 175.34