#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i12 n ALA 2 N 0.00 0.00 -2.83 -5.12 0.00 -1.26 -5.19 120.51 106.11 3i12 n ALA 2 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3i12 n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3i12 n ALA 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i12 s LYS 3 N -0.57 3.44 0.18 0.00 1.02 -1.26 -5.06 119.74 117.48 3i12 s LYS 3 Ca 0.00 -0.60 -0.32 0.00 0.02 0.00 0.00 55.97 55.08 3i12 s LYS 3 Cb 0.00 -2.80 -0.11 0.00 -0.52 0.00 0.00 37.83 34.41 3i12 s LYS 3 CO 0.00 0.30 1.64 -0.51 -0.92 0.00 0.00 175.35 175.86 3i12 s LEU 4 N -4.12 4.37 -0.22 3.17 1.43 -1.20 -4.67 118.68 117.43 3i12 s LEU 4 Ca 0.37 2.71 -0.22 0.00 -1.03 0.00 0.00 54.13 55.96 3i12 s LEU 4 Cb -0.09 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 3i12 s LEU 4 CO 0.32 -0.89 0.69 -0.13 0.23 0.00 0.00 176.35 176.57 3i12 s ARG 5 N 1.25 4.18 -0.30 1.70 0.52 -1.26 -2.07 118.95 122.96 3i12 s ARG 5 Ca 0.72 0.70 -0.08 0.00 -0.52 0.00 0.00 55.73 56.56 3i12 s ARG 5 Cb -0.46 -3.62 0.00 0.00 0.52 0.00 0.00 34.95 31.40 3i12 s ARG 5 CO 0.32 -0.37 0.10 0.08 0.02 0.00 0.00 175.30 175.45 3i12 s VAL 6 N 2.34 4.17 -0.29 3.52 1.01 -0.34 -0.86 120.40 129.95 3i12 s VAL 6 Ca 0.30 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 3i12 s VAL 6 Cb -0.16 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3i12 s VAL 6 CO 0.09 0.07 0.54 -0.83 0.00 0.00 0.00 175.10 174.97 3i12 s GLY 7 N 1.54 1.82 -0.30 4.51 0.00 0.11 -0.72 107.32 114.27 3i12 s GLY 7 Ca 0.03 -0.71 -0.16 0.00 0.00 0.00 0.00 44.72 43.88 3i12 s GLY 7 CO 0.04 1.29 0.41 -0.42 0.00 0.00 0.00 173.10 174.42 3i12 s ILE 8 N 2.39 5.13 -0.24 0.90 1.01 -0.52 0.07 121.20 129.94 3i12 s ILE 8 Ca 0.21 0.43 -0.09 0.00 0.00 0.00 0.00 60.65 61.20 3i12 s ILE 8 Cb -0.15 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3i12 s ILE 8 CO 0.11 0.01 0.12 -0.69 0.00 0.00 0.00 174.94 174.49 3i12 s VAL 9 N 2.15 5.00 0.16 2.92 1.01 -0.49 -1.12 120.40 130.03 3i12 s VAL 9 Ca 0.16 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 3i12 s VAL 9 Cb -0.16 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.90 3i12 s VAL 9 CO 0.11 0.35 0.35 0.72 0.00 0.00 0.00 175.10 176.63 3i12 s PHE 10 N 1.14 0.15 0.00 5.22 -0.12 -0.98 -0.34 117.98 123.06 3i12 s PHE 10 Ca 0.06 -0.51 0.00 0.00 -0.05 0.00 0.00 56.93 56.43 3i12 s PHE 10 Cb -0.14 0.10 0.00 0.00 -0.63 0.00 0.00 43.02 42.35 3i12 s PHE 10 CO 0.05 -0.75 0.00 0.41 -0.05 0.00 0.00 175.22 174.88 3i12 n GLY 11 N -0.23 0.99 0.00 1.99 0.00 -1.26 -0.07 105.19 106.61 3i12 n GLY 11 Ca -0.10 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3i12 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i12 n GLY 12 N 0.00 2.23 3.51 -0.02 0.00 0.18 -4.47 105.19 106.62 3i12 n GLY 12 Ca 0.00 -1.89 -0.44 0.00 0.00 0.00 0.00 46.02 43.69 3i12 n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i12 s LYS 13 N -3.02 4.05 -0.11 1.61 2.20 -1.25 -4.30 119.74 118.92 3i12 s LYS 13 Ca 0.00 -2.34 -0.28 0.00 -0.36 0.00 0.00 55.97 52.99 3i12 s LYS 13 Cb 0.00 -5.25 0.07 0.00 -1.51 0.00 0.00 37.83 31.13 3i12 s LYS 13 CO 0.00 -1.97 0.67 0.45 -0.36 0.00 0.00 175.35 174.14 3i12 s SER 14 N 3.40 -0.66 0.42 1.43 0.15 -1.26 -4.74 113.70 112.44 3i12 s SER 14 Ca 0.47 0.89 0.25 0.00 0.70 0.00 0.00 55.95 58.26 3i12 s SER 14 Cb -0.00 0.79 1.29 0.00 -1.71 0.00 0.00 66.02 66.38 3i12 s SER 14 CO 0.03 -0.49 1.69 0.00 1.20 0.00 0.00 173.24 175.66 3i12 h ALA 15 N 3.64 2.51 -0.34 5.45 0.00 -1.91 -1.00 119.26 127.62 3i12 h ALA 15 Ca -0.28 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3i12 h ALA 15 Cb 1.15 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3i12 h ALA 15 CO 0.30 -1.05 0.04 0.39 0.00 0.00 0.00 179.25 178.93 3i12 n GLU 16 N -4.67 2.96 -0.12 0.00 1.02 -1.26 -4.54 120.64 114.04 3i12 n GLU 16 Ca 0.32 -1.71 -0.05 0.00 -0.02 0.00 0.00 57.16 55.70 3i12 n GLU 16 Cb 1.19 -1.89 0.01 0.00 -0.02 0.00 0.00 31.44 30.73 3i12 n GLU 16 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i12 h HIS 17 N 1.99 -0.44 -0.24 -0.32 2.76 -1.40 -0.86 115.15 116.64 3i12 h HIS 17 Ca 0.04 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.17 3i12 h HIS 17 Cb 1.40 0.26 -0.01 0.00 1.55 0.00 0.00 27.41 30.60 3i12 h HIS 17 CO 0.63 -0.26 -0.23 0.93 -1.30 0.00 0.00 177.93 177.70 3i12 h GLU 18 N -0.10 0.44 -0.53 5.26 3.07 -1.86 -0.77 114.58 120.09 3i12 h GLU 18 Ca 0.20 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 3i12 h GLU 18 Cb 0.41 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3i12 h GLU 18 CO -0.47 0.65 0.28 0.28 -1.40 0.00 0.00 179.01 178.35 3i12 h VAL 19 N 0.40 1.19 -0.72 3.13 2.07 -1.67 -2.41 116.25 118.23 3i12 h VAL 19 Ca 0.06 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3i12 h VAL 19 Cb 0.63 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3i12 h VAL 19 CO 0.04 0.20 0.46 -1.28 0.02 0.00 0.00 177.57 177.02 3i12 h SER 20 N 0.71 0.84 -0.93 0.57 0.87 -0.73 0.22 113.55 115.10 3i12 h SER 20 Ca 0.19 -0.04 0.12 0.00 -1.23 0.00 0.00 61.79 60.83 3i12 h SER 20 Cb 0.07 -0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 61.74 3i12 h SER 20 CO -0.03 0.62 0.56 -0.07 -0.53 0.00 0.00 176.83 177.39 3i12 h LEU 21 N 0.98 0.81 -0.03 2.23 3.38 -0.95 -0.40 115.31 121.34 3i12 h LEU 21 Ca 0.26 0.05 -0.20 0.00 0.09 0.00 0.00 57.88 58.08 3i12 h LEU 21 Cb -0.09 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 40.57 3i12 h LEU 21 CO -0.05 0.43 -0.77 1.56 0.09 0.00 0.00 178.44 179.69 3i12 h GLN 22 N 0.89 0.57 -0.73 1.13 4.20 -0.76 -2.35 115.11 118.06 3i12 h GLN 22 Ca 0.46 -0.58 0.07 0.00 0.06 0.00 0.00 58.65 58.67 3i12 h GLN 22 Cb 0.47 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 3i12 h GLN 22 CO -0.27 1.20 0.42 0.77 -0.67 0.00 0.00 178.83 180.27 3i12 h SER 23 N 0.17 0.61 -0.45 1.46 0.02 -0.07 -1.82 113.55 113.47 3i12 h SER 23 Ca -0.09 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3i12 h SER 23 Cb 1.45 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.88 3i12 h SER 23 CO 0.15 0.38 0.19 0.00 -1.14 0.00 0.00 176.83 176.42 3i12 h ALA 24 N 1.39 0.58 -0.16 3.77 0.00 -1.08 0.65 119.26 124.42 3i12 h ALA 24 Ca 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3i12 h ALA 24 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3i12 h ALA 24 CO -0.20 0.17 0.10 -0.22 0.00 0.00 0.00 179.25 179.09 3i12 h LYS 25 N 0.58 0.21 -0.79 0.00 3.64 -0.93 0.45 116.57 119.73 3i12 h LYS 25 Ca 0.15 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 3i12 h LYS 25 Cb 0.16 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 3i12 h LYS 25 CO -0.02 0.18 0.47 -0.91 -2.27 0.00 0.00 179.45 176.90 3i12 h ASN 26 N 0.19 0.72 -0.28 4.20 2.35 -1.23 0.48 115.58 122.01 3i12 h ASN 26 Ca 0.06 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3i12 h ASN 26 Cb 0.02 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3i12 h ASN 26 CO -0.01 0.46 0.06 0.40 -1.65 0.00 0.00 177.43 176.69 3i12 h ILE 27 N 0.86 1.22 -0.42 2.81 2.04 -0.20 -0.80 117.51 123.03 3i12 h ILE 27 Ca 0.35 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3i12 h ILE 27 Cb 0.19 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3i12 h ILE 27 CO -0.18 0.24 0.27 0.58 0.00 0.00 0.00 178.15 179.06 3i12 h VAL 28 N 0.29 1.12 -0.60 1.67 2.07 0.36 -0.50 116.25 120.66 3i12 h VAL 28 Ca 0.09 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.40 3i12 h VAL 28 Cb 0.30 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3i12 h VAL 28 CO 0.00 0.12 0.40 0.44 0.02 0.00 0.00 177.57 178.55 3i12 h ASP 29 N 0.56 0.60 0.02 0.57 3.32 0.14 -3.26 116.42 118.37 3i12 h ASP 29 Ca 0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3i12 h ASP 29 Cb -0.04 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3i12 h ASP 29 CO -0.03 0.42 -1.79 0.00 -1.72 0.00 0.00 179.24 176.12 3i12 n ALA 30 N -2.46 3.17 -1.77 3.45 0.00 -0.32 -5.01 120.51 117.57 3i12 n ALA 30 Ca 0.07 -0.53 -0.40 0.00 0.00 0.00 0.00 53.44 52.58 3i12 n ALA 30 Cb 0.14 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3i12 n ALA 30 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3i12 s ILE 31 N -3.42 2.27 -0.63 0.00 2.07 -0.24 -4.44 121.20 116.81 3i12 s ILE 31 Ca -0.05 0.25 -0.26 0.00 -1.41 0.00 0.00 60.65 59.19 3i12 s ILE 31 Cb 0.14 -3.15 -0.05 0.00 0.13 0.00 0.00 42.46 39.53 3i12 s ILE 31 CO 0.90 0.05 2.07 -0.62 -1.91 0.00 0.00 174.94 175.43 3i12 s ASP 32 N -0.46 4.91 0.45 4.50 -1.08 -1.26 -4.81 116.67 118.91 3i12 s ASP 32 Ca 0.56 0.41 0.31 0.00 -0.52 0.00 0.00 52.55 53.31 3i12 s ASP 32 Cb -0.43 -2.53 1.41 0.00 -1.46 0.00 0.00 42.92 39.91 3i12 s ASP 32 CO 0.56 -2.68 1.92 0.11 0.52 0.00 0.00 175.17 175.60 3i12 h LYS 33 N 15.71 0.00 -0.01 4.34 1.79 -1.88 0.67 116.57 137.19 3i12 h LYS 33 Ca -0.19 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.11 3i12 h LYS 33 Cb 1.16 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.79 3i12 h LYS 33 CO 1.19 0.00 -0.77 1.79 -1.08 0.00 0.00 179.45 180.58 3i12 h THR 34 N 0.00 1.51 0.00 -0.16 1.35 -2.02 -3.36 112.91 110.24 3i12 h THR 34 Ca 0.00 -2.52 -0.05 0.00 -0.55 0.00 0.00 66.41 63.29 3i12 h THR 34 Cb 0.31 2.37 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 3i12 h THR 34 CO 0.00 0.73 -1.35 0.54 -0.25 0.00 0.00 175.52 175.18 3i12 n ARG 35 N -3.67 0.62 -3.90 4.72 1.74 0.18 -4.97 116.66 111.39 3i12 n ARG 35 Ca -0.02 0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 57.03 3i12 n ARG 35 Cb 0.74 -1.75 -0.13 0.00 -1.02 0.00 0.00 32.46 30.30 3i12 n ARG 35 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i12 s PHE 36 N -3.27 0.06 -0.17 -1.55 0.08 -0.90 -3.22 117.98 109.03 3i12 s PHE 36 Ca -0.03 -0.12 -0.08 0.00 0.12 0.00 0.00 56.93 56.82 3i12 s PHE 36 Cb 0.10 -0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.46 3i12 s PHE 36 CO 0.82 -0.07 0.10 -0.51 -0.10 0.00 0.00 175.22 175.46 3i12 s ASP 37 N -0.45 5.96 -0.03 1.36 1.01 -0.88 -4.48 116.67 119.16 3i12 s ASP 37 Ca -0.05 0.22 -0.11 0.00 0.71 0.00 0.00 52.55 53.33 3i12 s ASP 37 Cb -0.03 -1.99 -0.05 0.00 1.01 0.00 0.00 42.92 41.86 3i12 s ASP 37 CO -0.00 0.25 0.31 0.68 0.21 0.00 0.00 175.17 176.61 3i12 s VAL 38 N -0.06 5.22 -0.13 -1.27 -7.23 -1.26 -1.20 120.40 114.46 3i12 s VAL 38 Ca 0.08 0.53 0.03 0.00 -1.81 0.00 0.00 61.98 60.81 3i12 s VAL 38 Cb -0.12 -3.59 0.01 0.00 0.56 0.00 0.00 36.38 33.24 3i12 s VAL 38 CO 0.00 0.54 -0.22 0.54 -0.31 0.00 0.00 175.10 175.65 3i12 s VAL 39 N -1.12 2.00 -0.30 1.32 0.11 0.10 -4.92 120.40 117.59 3i12 s VAL 39 Ca 0.22 -0.96 -0.17 0.00 -2.93 0.00 0.00 61.98 58.15 3i12 s VAL 39 Cb -0.15 -1.76 -0.02 0.00 -1.53 0.00 0.00 36.38 32.92 3i12 s VAL 39 CO 0.11 0.54 0.45 -0.76 -3.33 0.00 0.00 175.10 172.11 3i12 s LEU 40 N 0.70 4.18 -0.81 2.54 1.43 -1.26 -1.45 118.68 124.02 3i12 s LEU 40 Ca -0.10 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3i12 s LEU 40 Cb -0.16 -2.52 0.20 0.00 0.03 0.00 0.00 46.19 43.73 3i12 s LEU 40 CO 0.01 -0.32 0.65 -0.76 0.23 0.00 0.00 176.35 176.17 3i12 s LEU 41 N 2.22 5.27 0.07 1.79 1.43 -0.28 -1.68 118.68 127.49 3i12 s LEU 41 Ca 0.17 -3.69 -0.24 0.00 -1.03 0.00 0.00 54.13 49.34 3i12 s LEU 41 Cb -0.16 -1.81 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 3i12 s LEU 41 CO 0.11 -0.16 0.74 -0.83 0.23 0.00 0.00 176.35 176.43 3i12 s GLY 42 N -0.51 2.79 -0.25 -3.19 0.00 -0.94 -2.32 107.32 102.89 3i12 s GLY 42 Ca 0.26 0.26 -0.06 0.00 0.00 0.00 0.00 44.72 45.17 3i12 s GLY 42 CO -0.13 0.98 0.03 -0.42 0.00 0.00 0.00 173.10 173.56 3i12 s ILE 43 N -0.34 3.86 1.23 0.90 -1.09 0.90 -1.28 121.20 125.38 3i12 s ILE 43 Ca 0.37 -0.47 -0.18 0.00 -2.23 0.00 0.00 60.65 58.14 3i12 s ILE 43 Cb -0.21 -2.86 0.30 0.00 -1.58 0.00 0.00 42.46 38.11 3i12 s ILE 43 CO 0.23 0.28 1.04 1.51 -1.23 0.00 0.00 174.94 176.76 3i12 s ASP 44 N 1.53 0.61 0.30 3.58 3.84 -0.70 0.49 116.67 126.31 3i12 s ASP 44 Ca 0.05 0.94 0.26 0.00 -0.00 0.00 0.00 52.55 53.79 3i12 s ASP 44 Cb -0.16 -1.39 0.92 0.00 -1.38 0.00 0.00 42.92 40.91 3i12 s ASP 44 CO 0.01 -4.35 1.76 0.11 -0.00 0.00 0.00 175.17 172.70 3i12 h LYS 45 N -2.73 0.00 0.00 2.11 1.57 -1.90 -1.34 116.57 114.28 3i12 h LYS 45 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3i12 h LYS 45 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3i12 h LYS 45 CO 0.40 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 179.20 3i12 n ALA 46 N -1.85 2.44 -0.08 3.86 0.00 -1.26 -4.28 120.51 119.35 3i12 n ALA 46 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3i12 n ALA 46 Cb 0.34 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3i12 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i12 n GLY 47 N 1.43 0.91 3.86 0.00 0.00 -0.51 -4.92 105.19 105.97 3i12 n GLY 47 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3i12 n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i12 s GLN 48 N -0.92 3.82 -0.00 1.61 -0.21 -1.26 -4.85 119.66 117.85 3i12 s GLN 48 Ca 0.00 0.27 -0.08 0.00 0.02 0.00 0.00 55.36 55.56 3i12 s GLN 48 Cb 0.00 -2.94 -0.05 0.00 1.00 0.00 0.00 33.01 31.02 3i12 s GLN 48 CO 0.00 0.51 0.28 -1.58 -2.12 0.00 0.00 175.29 172.39 3i12 s TRP 49 N -1.46 3.60 0.12 0.91 0.52 -1.26 -1.71 118.94 119.66 3i12 s TRP 49 Ca 0.36 0.65 0.03 0.00 0.02 0.00 0.00 56.10 57.16 3i12 s TRP 49 Cb -0.14 -2.05 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 3i12 s TRP 49 CO 0.19 0.63 -0.07 -1.01 0.02 0.00 0.00 176.95 176.70 3i12 s HIS 50 N -1.24 1.03 -0.21 -1.98 3.76 -0.40 -0.93 115.29 115.31 3i12 s HIS 50 Ca 0.26 -0.88 -0.16 0.00 -0.15 0.00 0.00 55.06 54.13 3i12 s HIS 50 Cb -0.14 -0.57 -0.04 0.00 1.11 0.00 0.00 32.58 32.95 3i12 s HIS 50 CO 0.14 -0.08 0.42 0.08 -0.85 0.00 0.00 174.74 174.45 3i12 s VAL 51 N -3.54 5.17 0.42 -0.90 1.01 -1.24 -2.21 120.40 119.12 3i12 s VAL 51 Ca 0.14 0.75 0.08 0.00 0.00 0.00 0.00 61.98 62.95 3i12 s VAL 51 Cb 0.05 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3i12 s VAL 51 CO -0.03 0.22 0.40 0.20 0.00 0.00 0.00 175.10 175.90 3i12 s ASN 52 N 1.15 5.11 -0.11 3.32 0.01 -0.68 -4.79 114.94 118.94 3i12 s ASN 52 Ca 0.20 -0.72 0.01 0.00 -0.71 0.00 0.00 52.86 51.63 3i12 s ASN 52 Cb -0.15 -0.55 -0.01 0.00 0.41 0.00 0.00 41.25 40.94 3i12 s ASN 52 CO 0.08 -0.68 -0.15 -0.62 -1.51 0.00 0.00 177.10 174.23 3i12 s ASP 53 N -4.16 3.88 0.56 -1.22 2.15 -1.26 -4.27 116.67 112.34 3i12 s ASP 53 Ca 0.49 -0.34 0.35 0.00 0.43 0.00 0.00 52.55 53.48 3i12 s ASP 53 Cb -0.04 -1.47 1.54 0.00 -0.30 0.00 0.00 42.92 42.66 3i12 s ASP 53 CO 0.28 0.19 2.04 0.00 -0.17 0.00 0.00 175.17 177.52 3i12 h ALA 54 N 6.51 1.00 0.00 3.66 0.00 -1.98 -2.25 119.26 126.20 3i12 h ALA 54 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i12 h ALA 54 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3i12 h ALA 54 CO 0.54 0.00 0.00 0.39 0.00 0.00 0.00 179.25 180.18 3i12 n GLU 55 N -3.05 0.20 -2.74 0.00 1.02 -1.26 -4.36 120.64 110.45 3i12 n GLU 55 Ca 0.00 0.19 -0.08 0.00 -0.02 0.00 0.00 57.16 57.26 3i12 n GLU 55 Cb 0.26 -1.75 0.06 0.00 -0.02 0.00 0.00 31.44 30.00 3i12 n GLU 55 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3i12 n ASN 56 N -2.10 -2.59 -0.00 1.62 5.15 -0.89 -5.00 115.26 111.46 3i12 n ASN 56 Ca 0.05 -3.21 0.04 0.00 -0.60 0.00 0.00 54.58 50.87 3i12 n ASN 56 Cb 0.39 1.73 -0.06 0.00 -0.53 0.00 0.00 39.78 41.32 3i12 n ASN 56 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i12 n TYR 57 N 1.33 0.00 -4.63 1.20 0.18 -0.95 -4.60 117.16 109.69 3i12 n TYR 57 Ca 0.07 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.56 3i12 n TYR 57 Cb 0.66 -0.08 -0.14 0.00 -0.38 0.00 0.00 39.34 39.39 3i12 n TYR 57 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3i12 s LEU 58 N -2.91 2.25 -0.09 -3.48 1.43 -1.26 -0.40 118.68 114.22 3i12 s LEU 58 Ca 0.01 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.41 3i12 s LEU 58 Cb 0.06 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 3i12 s LEU 58 CO 0.36 0.22 -0.01 -1.10 0.23 0.00 0.00 176.35 176.04 3i12 s GLN 59 N -1.68 3.06 -1.42 1.70 -0.21 0.14 -4.55 119.66 116.70 3i12 s GLN 59 Ca 0.13 -0.44 -0.07 0.00 0.02 0.00 0.00 55.36 55.00 3i12 s GLN 59 Cb -0.10 -2.79 0.04 0.00 1.00 0.00 0.00 33.01 31.16 3i12 s GLN 59 CO 0.04 0.63 0.84 0.09 -2.12 0.00 0.00 175.29 174.77 3i12 n ASN 60 N 2.37 -3.03 0.05 5.90 3.02 -1.26 -1.28 115.26 121.03 3i12 n ASN 60 Ca -0.18 -0.80 0.16 0.00 -0.03 0.00 0.00 54.58 53.73 3i12 n ASN 60 Cb 0.53 -3.99 0.65 0.00 -0.61 0.00 0.00 39.78 36.37 3i12 n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i12 h ALA 61 N 0.92 2.32 -0.01 5.41 0.00 -1.89 -1.27 119.26 124.73 3i12 h ALA 61 Ca -0.60 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3i12 h ALA 61 Cb 1.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3i12 h ALA 61 CO 0.62 -0.43 -0.24 -0.25 0.00 0.00 0.00 179.25 178.94 3i12 n ASP 62 N -4.43 1.11 -4.11 0.00 8.00 -1.26 -4.78 116.55 111.08 3i12 n ASP 62 Ca 0.07 -0.97 -0.33 0.00 0.71 0.00 0.00 54.79 54.26 3i12 n ASP 62 Cb 0.46 0.14 -0.14 0.00 -0.02 0.00 0.00 41.12 41.55 3i12 n ASP 62 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i12 s ASP 63 N -2.46 4.74 0.42 -2.24 -1.08 -0.48 -5.03 116.67 110.55 3i12 s ASP 63 Ca 0.25 -1.49 0.14 0.00 -0.52 0.00 0.00 52.55 50.94 3i12 s ASP 63 Cb 0.19 -1.65 1.02 0.00 -1.46 0.00 0.00 42.92 41.02 3i12 s ASP 63 CO 0.51 -0.27 1.95 -0.65 0.52 0.00 0.00 175.17 177.22 3i12 h PRO 64 N 7.87 0.43 -6.17 4.34 0.11 -1.86 -2.20 132.00 134.52 3i12 h PRO 64 Ca -0.18 -0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.34 3i12 h PRO 64 Cb 1.05 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 3i12 h PRO 64 CO 0.52 0.28 -0.33 0.00 -0.21 0.00 0.00 178.00 178.26 3i12 s ALA 65 N -5.42 3.82 0.00 -0.75 0.00 -1.26 -4.43 121.76 113.72 3i12 s ALA 65 Ca -0.08 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3i12 s ALA 65 Cb 0.20 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.25 3i12 s ALA 65 CO 0.76 0.62 0.00 0.72 0.00 0.00 0.00 175.76 177.86 3i12 n HIS 66 N -0.09 0.00 -1.82 0.00 8.25 -1.25 -5.02 115.22 115.28 3i12 n HIS 66 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 3i12 n HIS 66 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 3i12 n HIS 66 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3i12 s ILE 67 N -1.98 2.54 0.02 1.59 2.07 -0.83 -4.48 121.20 120.13 3i12 s ILE 67 Ca 0.00 0.24 -0.04 0.00 -1.41 0.00 0.00 60.65 59.44 3i12 s ILE 67 Cb 0.00 -3.16 -0.01 0.00 0.13 0.00 0.00 42.46 39.42 3i12 s ILE 67 CO 0.00 0.01 0.07 0.00 -1.91 0.00 0.00 174.94 173.11 3i12 s ALA 68 N 1.91 -0.09 -0.11 1.50 0.00 -0.40 -4.90 121.76 119.67 3i12 s ALA 68 Ca 0.75 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 3i12 s ALA 68 Cb -0.45 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 3i12 s ALA 68 CO 0.33 -0.23 1.01 -1.17 0.00 0.00 0.00 175.76 175.70 3i12 s LEU 69 N -1.68 4.24 0.16 0.00 2.96 -1.26 0.25 118.68 123.35 3i12 s LEU 69 Ca -0.12 1.53 -0.31 0.00 -0.22 0.00 0.00 54.13 55.01 3i12 s LEU 69 Cb -0.06 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.98 3i12 s LEU 69 CO -0.01 -0.46 1.58 -0.60 -1.32 0.00 0.00 176.35 175.53 3i12 s ARG 70 N 2.09 4.21 0.54 1.98 3.52 0.46 -4.83 118.95 126.93 3i12 s ARG 70 Ca 0.48 2.36 -0.21 0.00 -0.13 0.00 0.00 55.73 58.23 3i12 s ARG 70 Cb -0.18 -3.19 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 3i12 s ARG 70 CO 0.17 -0.62 1.32 -2.14 -0.81 0.00 0.00 175.30 173.22 3i12 s PRO 71 N 1.28 3.18 0.07 5.12 0.02 -1.26 -4.96 135.00 138.44 3i12 s PRO 71 Ca 0.71 2.13 0.05 0.00 0.02 0.00 0.00 61.00 63.91 3i12 s PRO 71 Cb -0.44 -2.23 -0.03 0.00 0.02 0.00 0.00 34.50 31.83 3i12 s PRO 71 CO 0.31 -1.13 -0.14 0.45 -0.33 0.00 0.00 177.00 176.16 3i12 s SER 72 N -1.08 1.68 -0.04 2.53 0.15 -1.26 -5.08 113.70 110.60 3i12 s SER 72 Ca 0.72 -0.60 -0.22 0.00 0.70 0.00 0.00 55.95 56.54 3i12 s SER 72 Cb -0.38 -0.05 -0.16 0.00 -1.71 0.00 0.00 66.02 63.71 3i12 s SER 72 CO 0.44 -0.07 0.94 0.00 1.20 0.00 0.00 173.24 175.76 3i12 h ALA 73 N 4.34 -0.21 -1.99 5.45 0.00 -1.95 -3.43 119.26 121.48 3i12 h ALA 73 Ca -0.41 -0.23 -0.57 0.00 0.00 0.00 0.00 54.91 53.70 3i12 h ALA 73 Cb 1.19 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3i12 h ALA 73 CO 0.40 -0.32 1.26 0.42 0.00 0.00 0.00 179.25 181.01 3i12 s ILE 74 N -3.59 3.43 0.22 0.00 1.01 -1.26 -5.02 121.20 116.00 3i12 s ILE 74 Ca -0.13 0.47 0.03 0.00 0.00 0.00 0.00 60.65 61.01 3i12 s ILE 74 Cb 0.01 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 3i12 s ILE 74 CO 0.50 -0.27 0.37 -0.94 0.00 0.00 0.00 174.94 174.61 3i12 s SER 75 N 5.69 6.33 0.12 3.58 1.04 -1.26 -3.71 113.70 125.50 3i12 s SER 75 Ca 0.81 0.22 0.10 0.00 0.48 0.00 0.00 55.95 57.55 3i12 s SER 75 Cb -0.27 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 3i12 s SER 75 CO 0.33 -0.06 -0.24 -0.76 0.98 0.00 0.00 173.24 173.49 3i12 s LEU 76 N -3.70 2.32 0.09 2.42 1.43 -0.11 -1.16 118.68 119.97 3i12 s LEU 76 Ca 0.36 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3i12 s LEU 76 Cb -0.10 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 3i12 s LEU 76 CO 0.30 0.12 -0.10 0.00 0.23 0.00 0.00 176.35 176.89 3i12 s ALA 77 N -1.16 1.10 -0.03 4.21 0.00 -0.40 -4.60 121.76 120.87 3i12 s ALA 77 Ca 0.11 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.94 3i12 s ALA 77 Cb -0.10 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3i12 s ALA 77 CO 0.05 -0.01 -0.07 -1.14 0.00 0.00 0.00 175.76 174.59 3i12 s GLN 78 N -2.61 2.65 -0.41 0.00 0.74 -1.26 -1.57 119.66 117.20 3i12 s GLN 78 Ca 0.04 -0.64 -0.06 0.00 0.05 0.00 0.00 55.36 54.75 3i12 s GLN 78 Cb -0.04 -2.54 0.09 0.00 1.10 0.00 0.00 33.01 31.62 3i12 s GLN 78 CO 0.00 0.63 0.22 0.08 -0.55 0.00 0.00 175.29 175.68 3i12 s VAL 79 N -0.90 3.80 0.45 1.34 1.01 0.73 -5.00 120.40 121.82 3i12 s VAL 79 Ca 0.15 -1.64 -0.25 0.00 0.00 0.00 0.00 61.98 60.24 3i12 s VAL 79 Cb -0.11 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.78 3i12 s VAL 79 CO 0.04 -0.54 1.40 -2.65 0.00 0.00 0.00 175.10 173.35 3i12 n PRO 80 N 4.78 2.20 0.00 2.72 -0.02 -1.26 -3.11 135.00 140.31 3i12 n PRO 80 Ca -0.08 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3i12 n PRO 80 Cb 0.42 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3i12 n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i12 n GLY 81 N 0.62 3.30 3.79 -1.23 0.00 -1.23 -5.04 105.19 105.42 3i12 n GLY 81 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3i12 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i12 s LYS 82 N -0.61 4.20 0.00 1.61 1.02 -1.18 -4.96 119.74 119.82 3i12 s LYS 82 Ca 0.00 1.36 0.15 0.00 0.02 0.00 0.00 55.97 57.50 3i12 s LYS 82 Cb 0.00 -2.43 0.11 0.00 -0.52 0.00 0.00 37.83 34.99 3i12 s LYS 82 CO 0.00 -0.08 0.97 0.72 -0.92 0.00 0.00 175.35 176.04 3i12 n HIS 83 N -0.23 0.00 -4.10 3.18 8.25 -1.26 -4.43 115.22 116.63 3i12 n HIS 83 Ca 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.43 3i12 n HIS 83 Cb 0.51 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.52 3i12 n HIS 83 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3i12 s GLN 84 N -1.29 0.65 -1.61 -0.41 -1.52 -1.26 -4.91 119.66 109.31 3i12 s GLN 84 Ca 0.17 -1.19 -0.15 0.00 -1.95 0.00 0.00 55.36 52.25 3i12 s GLN 84 Cb 0.13 0.06 0.12 0.00 -0.22 0.00 0.00 33.01 33.09 3i12 s GLN 84 CO 0.20 -0.07 0.81 0.72 -0.25 0.00 0.00 175.29 176.70 3i12 n HIS 85 N 0.23 -1.92 0.19 0.91 8.25 -1.26 -4.82 115.22 116.80 3i12 n HIS 85 Ca -0.15 0.83 0.04 0.00 -0.26 0.00 0.00 57.72 58.18 3i12 n HIS 85 Cb 0.60 -3.39 0.38 0.00 1.12 0.00 0.00 29.99 28.70 3i12 n HIS 85 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3i12 h GLN 86 N -1.73 0.00 -5.13 -0.41 7.50 -1.88 -3.41 115.11 110.05 3i12 h GLN 86 Ca -0.59 0.00 -0.63 0.00 0.50 0.00 0.00 58.65 57.93 3i12 h GLN 86 Cb 1.38 0.00 -0.19 0.00 0.05 0.00 0.00 27.48 28.72 3i12 h GLN 86 CO 0.73 0.36 -0.59 -0.51 -1.50 0.00 0.00 178.83 177.31 3i12 s LEU 87 N -7.97 3.63 0.17 1.46 1.43 -1.26 -0.19 118.68 115.94 3i12 s LEU 87 Ca -0.02 -0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.08 3i12 s LEU 87 Cb 0.14 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3i12 s LEU 87 CO 0.71 0.08 -0.13 0.27 0.23 0.00 0.00 176.35 177.50 3i12 s ILE 88 N 0.95 1.51 0.00 -0.59 -4.36 -0.61 -0.93 121.20 117.17 3i12 s ILE 88 Ca 0.04 -2.05 -0.30 0.00 -0.26 0.00 0.00 60.65 58.08 3i12 s ILE 88 Cb -0.14 -1.87 -0.08 0.00 1.25 0.00 0.00 42.46 41.62 3i12 s ILE 88 CO 0.03 -0.58 1.90 0.21 0.24 0.00 0.00 174.94 176.74 3i12 s ASN 89 N -3.05 6.46 0.35 4.36 3.84 0.21 -1.28 114.94 125.83 3i12 s ASN 89 Ca 0.18 2.53 0.27 0.00 0.21 0.00 0.00 52.86 56.05 3i12 s ASN 89 Cb -0.01 -2.53 0.99 0.00 -0.55 0.00 0.00 41.25 39.15 3i12 s ASN 89 CO 0.04 -1.06 1.79 0.00 -2.79 0.00 0.00 177.10 175.08 3i12 h ALA 90 N 10.54 1.00 0.16 1.71 0.00 -1.42 0.22 119.26 131.47 3i12 h ALA 90 Ca -0.47 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.14 3i12 h ALA 90 Cb 1.22 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.05 3i12 h ALA 90 CO 0.95 0.00 -1.27 1.96 0.00 0.00 0.00 179.25 180.89 3i12 h GLN 91 N 0.00 0.57 0.00 0.00 1.08 -1.90 -3.43 115.11 111.43 3i12 h GLN 91 Ca 0.00 -0.83 0.00 0.00 -1.45 0.00 0.00 58.65 56.37 3i12 h GLN 91 Cb 0.54 0.29 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 3i12 h GLN 91 CO 0.00 1.38 0.00 0.27 -0.95 0.00 0.00 178.83 179.53 3i12 n ASN 92 N -3.81 0.35 0.00 1.46 0.23 -1.13 -5.02 115.26 107.34 3i12 n ASN 92 Ca -0.15 -1.10 0.00 0.00 -0.53 0.00 0.00 54.58 52.80 3i12 n ASN 92 Cb 1.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.70 3i12 n ASN 92 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i12 n GLY 93 N -0.05 2.04 3.68 4.83 0.00 0.76 -5.00 105.19 111.44 3i12 n GLY 93 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3i12 n GLY 93 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i12 n GLN 94 N -2.00 2.69 -2.57 1.61 6.02 -1.25 -4.47 117.38 117.40 3i12 n GLN 94 Ca 0.00 0.98 -0.37 0.00 -0.01 0.00 0.00 57.00 57.60 3i12 n GLN 94 Cb 0.00 -2.88 -0.04 0.00 1.02 0.00 0.00 30.24 28.33 3i12 n GLN 94 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3i12 s PRO 95 N 3.38 4.30 0.62 -1.09 0.04 -1.26 0.65 135.00 141.64 3i12 s PRO 95 Ca 0.86 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 63.26 3i12 s PRO 95 Cb -0.51 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 3i12 s PRO 95 CO 0.41 -0.02 1.12 -0.51 0.04 0.00 0.00 177.00 178.04 3i12 s LEU 96 N -2.37 3.51 0.51 -3.56 1.02 -0.10 -4.87 118.68 112.82 3i12 s LEU 96 Ca 0.55 2.08 -0.23 0.00 0.02 0.00 0.00 54.13 56.55 3i12 s LEU 96 Cb -0.23 -4.56 -0.06 0.00 0.02 0.00 0.00 46.19 41.36 3i12 s LEU 96 CO 0.29 -1.53 1.38 -2.65 0.02 0.00 0.00 176.35 173.86 3i12 n PRO 97 N -2.05 1.88 -2.35 1.29 -0.02 -1.26 -4.60 135.00 127.89 3i12 n PRO 97 Ca 0.11 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.86 3i12 n PRO 97 Cb 0.51 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 3i12 n PRO 97 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3i12 s THR 98 N -1.26 3.58 0.19 3.45 -4.23 -1.26 -4.90 115.64 111.22 3i12 s THR 98 Ca 0.68 1.27 -0.28 0.00 -1.18 0.00 0.00 61.69 62.18 3i12 s THR 98 Cb -0.43 -3.81 -0.08 0.00 1.34 0.00 0.00 72.50 69.52 3i12 s THR 98 CO 0.52 0.18 0.86 -0.69 -0.54 0.00 0.00 174.62 174.95 3i12 s VAL 99 N 0.23 4.25 0.01 2.29 1.01 -1.26 -4.84 120.40 122.09 3i12 s VAL 99 Ca 0.55 1.90 0.11 0.00 0.00 0.00 0.00 61.98 64.54 3i12 s VAL 99 Cb -0.33 -4.24 -0.21 0.00 0.00 0.00 0.00 36.38 31.61 3i12 s VAL 99 CO 0.35 0.50 0.94 0.44 0.00 0.00 0.00 175.10 177.32 3i12 h ASP 100 N 4.35 0.00 -5.01 3.32 3.32 -1.37 -3.48 116.42 117.56 3i12 h ASP 100 Ca -0.46 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.48 3i12 h ASP 100 Cb 1.20 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.56 3i12 h ASP 100 CO 0.67 0.95 -0.25 0.68 -1.72 0.00 0.00 179.24 179.57 3i12 s VAL 101 N -2.67 0.06 -0.12 -1.35 -7.23 -0.91 -4.36 120.40 103.82 3i12 s VAL 101 Ca -0.02 -0.52 -0.02 0.00 -1.81 0.00 0.00 61.98 59.62 3i12 s VAL 101 Cb 0.09 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.29 3i12 s VAL 101 CO 0.82 -0.29 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.64 3i12 s ILE 102 N -1.66 3.76 -0.50 -0.62 -1.09 -0.01 -0.71 121.20 120.37 3i12 s ILE 102 Ca -0.11 -0.43 -0.06 0.00 -2.23 0.00 0.00 60.65 57.82 3i12 s ILE 102 Cb -0.04 -2.60 0.13 0.00 -1.58 0.00 0.00 42.46 38.37 3i12 s ILE 102 CO 0.02 0.54 0.34 0.12 -1.23 0.00 0.00 174.94 174.74 3i12 s PHE 103 N -0.14 3.50 -0.00 3.97 5.99 0.11 -1.12 117.98 130.28 3i12 s PHE 103 Ca 0.02 -2.21 -0.30 0.00 0.00 0.00 0.00 56.93 54.44 3i12 s PHE 103 Cb -0.13 -3.38 -0.03 0.00 0.00 0.00 0.00 43.02 39.48 3i12 s PHE 103 CO 0.03 -0.96 1.04 -1.25 -0.00 0.00 0.00 175.22 174.08 3i12 s PRO 104 N 0.96 4.51 -0.02 10.12 0.04 -1.26 -1.39 135.00 147.95 3i12 s PRO 104 Ca 0.09 1.51 0.22 0.00 0.04 0.00 0.00 61.00 62.87 3i12 s PRO 104 Cb -0.23 -3.45 0.39 0.00 0.04 0.00 0.00 34.50 31.25 3i12 s PRO 104 CO -0.03 -0.14 1.16 1.51 0.04 0.00 0.00 177.00 179.54 3i12 n ILE 105 N 4.01 0.22 -2.47 0.56 0.13 0.54 -4.91 119.36 117.44 3i12 n ILE 105 Ca 0.07 -1.13 -0.42 0.00 -1.10 0.00 0.00 62.75 60.17 3i12 n ILE 105 Cb 0.49 0.83 -0.02 0.00 -0.84 0.00 0.00 39.64 40.11 3i12 n ILE 105 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 3i12 s VAL 106 N -0.32 3.93 0.36 9.51 1.01 -1.20 -4.62 120.40 129.07 3i12 s VAL 106 Ca 0.31 0.86 -0.25 0.00 0.00 0.00 0.00 61.98 62.91 3i12 s VAL 106 Cb 0.35 -4.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 3i12 s VAL 106 CO -0.14 -1.12 0.99 -1.00 0.00 0.00 0.00 175.10 173.83 3i12 s HIS 107 N 5.40 3.48 0.00 5.22 0.09 -1.26 -3.16 115.29 125.06 3i12 s HIS 107 Ca 0.51 1.71 0.00 0.00 -0.00 0.00 0.00 55.06 57.27 3i12 s HIS 107 Cb -0.10 -3.01 0.00 0.00 -0.00 0.00 0.00 32.58 29.47 3i12 s HIS 107 CO 0.28 -0.19 0.00 0.41 -0.00 0.00 0.00 174.74 175.24 3i12 n GLY 108 N 0.38 0.33 0.40 -2.22 0.00 -1.26 -4.62 105.19 98.20 3i12 n GLY 108 Ca 0.04 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 45.06 3i12 n GLY 108 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i12 h THR 109 N 0.00 0.05 0.00 2.61 2.02 -1.90 0.13 112.91 115.82 3i12 h THR 109 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 3i12 h THR 109 Cb 0.00 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 3i12 h THR 109 CO 0.00 0.00 -1.70 0.18 0.37 0.00 0.00 175.52 174.37 3i12 n LEU 110 N -5.39 0.00 0.08 2.58 4.77 -1.26 -4.21 117.00 113.57 3i12 n LEU 110 Ca 0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 3i12 n LEU 110 Cb 0.34 0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 3i12 n LEU 110 CO -0.06 0.12 0.21 1.23 -1.33 0.00 0.00 177.39 177.56 3i12 h GLY 111 N 2.44 0.00 -0.69 -0.72 0.00 -1.72 -2.25 103.07 100.13 3i12 h GLY 111 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3i12 h GLY 111 CO 0.01 0.00 -0.44 -2.21 0.00 0.00 0.00 176.54 173.90 3i12 n GLU 112 N -3.32 1.52 -0.36 4.80 2.13 0.43 -4.62 120.64 121.22 3i12 n GLU 112 Ca 0.00 -0.74 0.07 0.00 0.66 0.00 0.00 57.16 57.16 3i12 n GLU 112 Cb 0.90 -1.33 0.23 0.00 0.27 0.00 0.00 31.44 31.51 3i12 n GLU 112 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3i12 n ASP 113 N -0.29 3.64 0.00 4.31 5.75 -1.24 -4.50 116.55 124.23 3i12 n ASP 113 Ca 0.07 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.40 3i12 n ASP 113 Cb 0.36 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3i12 n ASP 113 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i12 n GLY 114 N 0.29 1.18 0.07 6.12 0.00 -1.26 -3.60 105.19 107.99 3i12 n GLY 114 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 3i12 n GLY 114 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i12 h SER 115 N 0.00 0.05 -0.78 1.61 0.02 -1.89 -0.50 113.55 112.05 3i12 h SER 115 Ca 0.00 -0.59 -0.04 0.00 -0.84 0.00 0.00 61.79 60.32 3i12 h SER 115 Cb 0.00 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3i12 h SER 115 CO 0.00 0.63 0.33 0.25 -1.14 0.00 0.00 176.83 176.90 3i12 h LEU 116 N -0.53 1.07 -1.14 5.07 5.85 -1.68 -1.26 115.31 122.67 3i12 h LEU 116 Ca -0.00 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3i12 h LEU 116 Cb 0.62 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3i12 h LEU 116 CO 0.01 0.94 0.09 1.56 -0.34 0.00 0.00 178.44 180.69 3i12 h GLN 117 N 1.13 0.70 -0.44 1.25 7.50 -1.81 -0.88 115.11 122.56 3i12 h GLN 117 Ca 0.26 -0.14 -0.08 0.00 0.50 0.00 0.00 58.65 59.20 3i12 h GLN 117 Cb 0.19 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.59 3i12 h GLN 117 CO -0.03 0.65 -0.02 0.78 -1.50 0.00 0.00 178.83 178.71 3i12 h GLY 118 N 0.90 0.85 0.86 3.46 0.00 -0.35 0.20 103.07 108.99 3i12 h GLY 118 Ca 0.15 -0.64 0.03 0.00 0.00 0.00 0.00 47.33 46.86 3i12 h GLY 118 CO 0.00 0.59 0.35 1.98 0.00 0.00 0.00 176.54 179.47 3i12 h MET 119 N 0.63 0.68 -0.51 4.80 1.85 -0.81 -1.50 114.93 120.08 3i12 h MET 119 Ca 0.12 -0.04 -0.11 0.00 -0.61 0.00 0.00 59.70 59.06 3i12 h MET 119 Cb 0.53 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.39 3i12 h MET 119 CO 0.03 0.45 -0.13 -0.07 -0.40 0.00 0.00 176.91 176.79 3i12 h LEU 120 N 0.70 0.96 -0.39 3.39 3.38 -0.89 -0.56 115.31 121.89 3i12 h LEU 120 Ca 0.24 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3i12 h LEU 120 Cb 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3i12 h LEU 120 CO -0.10 1.09 0.26 -0.09 0.09 0.00 0.00 178.44 179.68 3i12 h ARG 121 N 0.85 0.51 -0.60 1.13 2.43 -0.29 -0.88 114.38 117.54 3i12 h ARG 121 Ca 0.13 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3i12 h ARG 121 Cb 0.68 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 3i12 h ARG 121 CO 0.05 0.34 0.17 0.28 -1.51 0.00 0.00 179.97 179.30 3i12 h VAL 122 N 0.53 1.23 0.00 0.20 2.07 -0.84 -1.20 116.25 118.24 3i12 h VAL 122 Ca 0.14 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3i12 h VAL 122 Cb -0.06 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3i12 h VAL 122 CO -0.03 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.87 3i12 n ALA 123 N -2.46 2.31 -3.51 1.67 0.00 -0.26 -3.48 120.51 114.79 3i12 n ALA 123 Ca 0.05 -0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3i12 n ALA 123 Cb 0.22 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.54 3i12 n ALA 123 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i12 n ASN 124 N -0.66 -3.88 -4.56 0.00 4.13 -0.45 -4.72 115.26 105.12 3i12 n ASN 124 Ca 0.06 -0.50 -0.41 0.00 1.68 0.00 0.00 54.58 55.41 3i12 n ASN 124 Cb 0.03 -3.19 -0.09 0.00 -1.54 0.00 0.00 39.78 34.99 3i12 n ASN 124 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3i12 s LEU 125 N -6.67 4.35 0.45 3.41 1.43 -0.38 -4.99 118.68 116.28 3i12 s LEU 125 Ca 0.47 -0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 53.26 3i12 s LEU 125 Cb -0.25 -2.45 -0.10 0.00 0.03 0.00 0.00 46.19 43.42 3i12 s LEU 125 CO 0.57 -0.38 0.93 -2.65 0.23 0.00 0.00 176.35 175.06 3i12 n PRO 126 N 5.52 1.17 -3.71 1.29 -0.02 -1.26 -4.62 135.00 133.37 3i12 n PRO 126 Ca -0.07 0.42 -0.14 0.00 -2.02 0.00 0.00 63.50 61.69 3i12 n PRO 126 Cb 0.49 -1.98 -0.09 0.00 -0.02 0.00 0.00 33.50 31.91 3i12 n PRO 126 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3i12 s PHE 127 N -1.34 -0.37 0.33 6.00 -0.12 -1.26 -0.83 117.98 120.38 3i12 s PHE 127 Ca 0.65 0.76 -0.28 0.00 -0.05 0.00 0.00 56.93 58.01 3i12 s PHE 127 Cb -0.54 0.17 -0.10 0.00 -0.63 0.00 0.00 43.02 41.91 3i12 s PHE 127 CO 0.56 -0.35 1.25 0.14 -0.05 0.00 0.00 175.22 176.77 3i12 s VAL 128 N -0.63 2.91 0.00 -2.49 -7.23 -0.28 -4.60 120.40 108.08 3i12 s VAL 128 Ca -0.07 0.90 0.00 0.00 -1.81 0.00 0.00 61.98 61.00 3i12 s VAL 128 Cb -0.04 -3.57 0.00 0.00 0.56 0.00 0.00 36.38 33.34 3i12 s VAL 128 CO 0.03 0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 3i12 n GLY 129 N 0.87 -1.83 3.81 2.32 0.00 -1.26 -4.54 105.19 104.55 3i12 n GLY 129 Ca 0.00 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 3i12 n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i12 s SER 130 N -3.89 5.73 0.20 1.61 0.01 -0.95 -4.48 113.70 111.92 3i12 s SER 130 Ca 0.00 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.04 3i12 s SER 130 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3i12 s SER 130 CO 0.00 -1.20 0.00 -0.67 0.41 0.00 0.00 173.24 171.78 3i12 n ASP 131 N -2.19 0.00 0.28 2.44 4.64 -1.26 -4.65 116.55 115.80 3i12 n ASP 131 Ca 0.09 -0.45 -0.16 0.00 -1.38 0.00 0.00 54.79 52.89 3i12 n ASP 131 Cb 0.53 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.53 3i12 n ASP 131 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 3i12 h VAL 132 N -0.20 0.45 0.12 5.18 2.07 -1.88 -0.67 116.25 121.32 3i12 h VAL 132 Ca 0.00 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3i12 h VAL 132 Cb 0.00 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3i12 h VAL 132 CO 0.00 0.04 -0.06 0.25 0.02 0.00 0.00 177.57 177.82 3i12 h LEU 133 N -0.85 -0.13 -0.63 2.57 5.85 -1.94 -1.03 115.31 119.15 3i12 h LEU 133 Ca -0.07 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.42 3i12 h LEU 133 Cb 0.60 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3i12 h LEU 133 CO 0.12 0.21 0.37 -1.28 -0.34 0.00 0.00 178.44 177.52 3i12 h SER 134 N -0.49 0.59 -0.51 1.25 0.87 -1.78 0.19 113.55 113.68 3i12 h SER 134 Ca -0.02 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 3i12 h SER 134 Cb 0.39 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 3i12 h SER 134 CO 0.03 0.40 0.26 0.28 -0.53 0.00 0.00 176.83 177.27 3i12 h SER 135 N 0.72 0.66 -0.55 6.23 0.02 -1.00 -0.30 113.55 119.33 3i12 h SER 135 Ca 0.26 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 3i12 h SER 135 Cb 0.08 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3i12 h SER 135 CO -0.13 0.58 0.07 0.00 -1.14 0.00 0.00 176.83 176.21 3i12 h ALA 136 N 1.10 0.73 -0.25 3.77 0.00 -0.78 -1.86 119.26 121.96 3i12 h ALA 136 Ca 0.18 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 3i12 h ALA 136 Cb 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3i12 h ALA 136 CO -0.02 0.49 -0.51 0.00 0.00 0.00 0.00 179.25 179.21 3i12 h ALA 137 N 0.98 0.63 0.00 0.00 0.00 -0.49 -2.34 119.26 118.04 3i12 h ALA 137 Ca 0.16 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3i12 h ALA 137 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3i12 h ALA 137 CO 0.01 0.68 -0.26 0.00 0.00 0.00 0.00 179.25 179.68 3i12 h MET 139 N 0.00 0.00 -4.50 0.00 -1.53 -1.08 -3.41 114.93 104.41 3i12 h MET 139 Ca -0.00 0.00 -0.72 0.00 -3.44 0.00 0.00 59.70 55.54 3i12 h MET 139 Cb 0.86 0.00 -0.21 0.00 -0.55 0.00 0.00 31.60 31.70 3i12 h MET 139 CO 0.03 0.45 -0.04 0.34 0.14 0.00 0.00 176.91 177.83 3i12 s ASP 140 N -6.40 6.19 0.39 1.39 -1.08 -0.90 -4.20 116.67 112.06 3i12 s ASP 140 Ca 0.04 -1.46 0.10 0.00 -0.52 0.00 0.00 52.55 50.71 3i12 s ASP 140 Cb 0.07 -2.26 0.88 0.00 -1.46 0.00 0.00 42.92 40.15 3i12 s ASP 140 CO 0.74 -0.96 1.95 0.11 0.52 0.00 0.00 175.17 177.54 3i12 h LYS 141 N 9.03 0.58 -0.12 4.34 1.57 -1.53 -0.38 116.57 130.06 3i12 h LYS 141 Ca -0.29 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3i12 h LYS 141 Cb 1.09 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 3i12 h LYS 141 CO 1.04 0.38 0.07 0.22 -0.57 0.00 0.00 179.45 180.59 3i12 h ASP 142 N 0.60 0.14 -0.34 0.86 3.58 -1.90 -1.64 116.42 117.71 3i12 h ASP 142 Ca 0.32 -0.05 -0.14 0.00 0.42 0.00 0.00 57.03 57.58 3i12 h ASP 142 Cb 0.46 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 3i12 h ASP 142 CO -0.11 0.15 -0.33 -0.37 -2.88 0.00 0.00 179.24 175.70 3i12 h VAL 143 N 0.12 1.28 -0.51 2.25 -1.51 -1.40 -2.38 116.25 114.10 3i12 h VAL 143 Ca 0.04 -1.50 0.07 0.00 -1.23 0.00 0.00 66.70 64.09 3i12 h VAL 143 Cb 0.04 1.46 -0.06 0.00 -2.13 0.00 0.00 31.29 30.59 3i12 h VAL 143 CO -0.01 0.49 0.16 0.00 -1.23 0.00 0.00 177.57 176.98 3i12 h ALA 144 N 0.75 0.61 -0.66 5.19 0.00 -1.11 -0.71 119.26 123.32 3i12 h ALA 144 Ca 0.06 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3i12 h ALA 144 Cb 0.91 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3i12 h ALA 144 CO 0.08 -0.24 0.11 0.87 0.00 0.00 0.00 179.25 180.07 3i12 h LYS 145 N 0.32 1.10 -0.32 0.00 1.57 -1.14 -0.56 116.57 117.54 3i12 h LYS 145 Ca 0.25 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3i12 h LYS 145 Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3i12 h LYS 145 CO -0.27 1.00 -0.23 0.00 -0.57 0.00 0.00 179.45 179.38 3i12 h ARG 146 N 1.03 0.62 -0.30 3.15 3.08 -0.88 0.11 114.38 121.18 3i12 h ARG 146 Ca 0.20 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 3i12 h ARG 146 Cb 0.44 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3i12 h ARG 146 CO 0.01 0.80 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.48 3i12 h LEU 147 N 0.55 0.67 -0.34 3.04 3.38 -0.86 -1.48 115.31 120.27 3i12 h LEU 147 Ca 0.08 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3i12 h LEU 147 Cb 0.69 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3i12 h LEU 147 CO 0.05 0.94 0.20 -0.07 0.09 0.00 0.00 178.44 179.65 3i12 h LEU 148 N 0.40 0.41 -0.66 1.67 3.38 -0.98 -0.83 115.31 118.70 3i12 h LEU 148 Ca 0.07 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3i12 h LEU 148 Cb 0.69 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3i12 h LEU 148 CO 0.05 0.36 0.30 -0.09 0.09 0.00 0.00 178.44 179.14 3i12 h ARG 149 N 0.43 0.97 -0.73 1.13 2.43 -0.79 -1.76 114.38 116.07 3i12 h ARG 149 Ca 0.12 -0.15 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3i12 h ARG 149 Cb 0.02 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.36 3i12 h ARG 149 CO -0.02 0.78 0.48 0.22 -1.51 0.00 0.00 179.97 179.92 3i12 h ASP 150 N 0.92 0.64 0.30 -3.80 3.58 -1.00 -0.45 116.42 116.62 3i12 h ASP 150 Ca 0.22 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.68 3i12 h ASP 150 Cb 0.15 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.07 3i12 h ASP 150 CO -0.02 0.41 0.00 0.00 -2.88 0.00 0.00 179.24 176.74 3i12 n ALA 151 N -2.45 2.18 -0.74 -0.78 0.00 -0.34 -4.88 120.51 113.50 3i12 n ALA 151 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i12 n ALA 151 Cb 0.25 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3i12 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i12 n GLY 152 N 0.51 0.59 3.93 0.00 0.00 -0.18 -5.07 105.19 104.98 3i12 n GLY 152 Ca 0.12 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 3i12 n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i12 s LEU 153 N 0.00 4.03 -0.02 0.99 1.43 -0.72 -5.02 118.68 119.37 3i12 s LEU 153 Ca 0.00 0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 53.40 3i12 s LEU 153 Cb 0.00 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 3i12 s LEU 153 CO 0.00 -0.26 0.69 0.20 0.23 0.00 0.00 176.35 177.22 3i12 s ASN 154 N -3.72 7.04 0.28 2.29 0.01 -1.26 -4.20 114.94 115.38 3i12 s ASN 154 Ca 0.41 1.25 0.04 0.00 -0.71 0.00 0.00 52.86 53.85 3i12 s ASN 154 Cb -0.10 -2.42 -0.06 0.00 0.41 0.00 0.00 41.25 39.09 3i12 s ASN 154 CO 0.34 -0.03 0.04 0.27 -1.51 0.00 0.00 177.10 176.20 3i12 s ILE 155 N 0.36 1.09 0.07 0.60 -4.36 -1.26 -1.35 121.20 116.34 3i12 s ILE 155 Ca 0.36 -2.02 -0.31 0.00 -0.26 0.00 0.00 60.65 58.43 3i12 s ILE 155 Cb -0.19 -2.61 -0.06 0.00 1.25 0.00 0.00 42.46 40.85 3i12 s ILE 155 CO 0.19 -0.12 1.27 0.00 0.24 0.00 0.00 174.94 176.52 3i12 s ALA 156 N -3.38 3.47 0.24 2.27 0.00 -1.26 -4.92 121.76 118.18 3i12 s ALA 156 Ca 0.34 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 3i12 s ALA 156 Cb 0.07 -3.49 -0.15 0.00 0.00 0.00 0.00 23.12 19.55 3i12 s ALA 156 CO 0.13 -0.54 0.89 -2.30 0.00 0.00 0.00 175.76 173.94 3i12 n PRO 157 N 4.09 0.91 -3.75 0.00 -0.02 -1.26 -4.76 135.00 130.21 3i12 n PRO 157 Ca 0.10 0.32 -0.09 0.00 -2.02 0.00 0.00 63.50 61.81 3i12 n PRO 157 Cb 0.45 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 3i12 n PRO 157 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3i12 s PHE 158 N -0.89 -0.16 0.10 6.00 -0.12 -1.26 -1.67 117.98 119.98 3i12 s PHE 158 Ca 0.63 -0.20 0.07 0.00 -0.05 0.00 0.00 56.93 57.38 3i12 s PHE 158 Cb -0.80 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.04 3i12 s PHE 158 CO 0.58 -1.00 -0.18 0.42 -0.05 0.00 0.00 175.22 174.98 3i12 s ILE 159 N -3.88 1.53 -0.15 -4.49 1.01 -0.46 -5.00 121.20 109.76 3i12 s ILE 159 Ca 0.10 -1.52 0.01 0.00 0.00 0.00 0.00 60.65 59.23 3i12 s ILE 159 Cb -0.02 -1.44 -0.00 0.00 0.01 0.00 0.00 42.46 41.00 3i12 s ILE 159 CO -0.01 -0.15 -0.16 0.28 0.00 0.00 0.00 174.94 174.90 3i12 s THR 160 N -1.33 2.64 -0.00 2.92 -1.32 -1.26 -1.26 115.64 116.03 3i12 s THR 160 Ca 0.05 -0.78 -0.16 0.00 -1.21 0.00 0.00 61.69 59.59 3i12 s THR 160 Cb -0.09 -2.11 -0.06 0.00 -1.51 0.00 0.00 72.50 68.73 3i12 s THR 160 CO 0.04 0.52 0.44 -0.76 -2.21 0.00 0.00 174.62 172.65 3i12 s LEU 161 N 0.74 4.46 0.45 9.08 1.43 0.11 -4.93 118.68 130.02 3i12 s LEU 161 Ca -0.07 0.99 0.05 0.00 -1.03 0.00 0.00 54.13 54.07 3i12 s LEU 161 Cb -0.16 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 3i12 s LEU 161 CO 0.01 0.28 0.06 0.42 0.23 0.00 0.00 176.35 177.36 3i12 s THR 162 N -0.89 1.78 0.47 5.49 -4.23 -1.26 -1.07 115.64 115.92 3i12 s THR 162 Ca 0.25 -1.91 0.21 0.00 -1.18 0.00 0.00 61.69 59.05 3i12 s THR 162 Cb -0.17 -2.69 0.25 0.00 1.34 0.00 0.00 72.50 71.24 3i12 s THR 162 CO 0.14 0.00 2.08 0.03 -0.54 0.00 0.00 174.62 176.33 3i12 h ARG 163 N 1.51 0.00 0.00 3.99 3.08 -1.99 -1.43 114.38 119.54 3i12 h ARG 163 Ca -0.43 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.42 3i12 h ARG 163 Cb 1.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 3i12 h ARG 163 CO 0.75 0.11 -1.05 1.79 -1.07 0.00 0.00 179.97 180.50 3i12 h THR 164 N 0.00 1.22 -0.04 2.04 1.35 -1.96 -3.35 112.91 112.17 3i12 h THR 164 Ca -0.00 -2.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.01 3i12 h THR 164 Cb 0.23 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 3i12 h THR 164 CO 0.01 0.69 0.00 -0.46 -0.25 0.00 0.00 175.52 175.52 3i12 n ASN 165 N -3.21 2.34 0.30 5.36 0.23 -1.00 -4.65 115.26 114.63 3i12 n ASN 165 Ca -0.04 -1.66 0.17 0.00 -0.53 0.00 0.00 54.58 52.53 3i12 n ASN 165 Cb 0.90 -0.02 0.96 0.00 -2.08 0.00 0.00 39.78 39.54 3i12 n ASN 165 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 3i12 h ARG 166 N 3.01 0.00 0.00 -3.83 0.11 -1.41 -0.03 114.38 112.23 3i12 h ARG 166 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3i12 h ARG 166 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 3i12 h ARG 166 CO 0.00 0.03 -0.83 0.72 0.10 0.00 0.00 179.97 179.98 3i12 n HIS 167 N -3.50 0.04 -0.20 4.08 8.25 -1.26 -4.19 115.22 118.43 3i12 n HIS 167 Ca -0.02 0.01 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 3i12 n HIS 167 Cb 0.13 -0.16 0.04 0.00 1.12 0.00 0.00 29.99 31.12 3i12 n HIS 167 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i12 h ALA 168 N 2.92 0.24 -3.02 -1.41 0.00 -1.30 -3.41 119.26 113.29 3i12 h ALA 168 Ca 0.00 0.21 -0.60 0.00 0.00 0.00 0.00 54.91 54.53 3i12 h ALA 168 Cb 0.54 0.58 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 3i12 h ALA 168 CO 0.00 -0.52 -0.31 -0.06 0.00 0.00 0.00 179.25 178.36 3i12 s PHE 169 N -6.15 3.50 0.55 0.00 0.08 -1.26 -5.07 117.98 109.63 3i12 s PHE 169 Ca -0.14 0.65 -0.07 0.00 0.12 0.00 0.00 56.93 57.49 3i12 s PHE 169 Cb 0.18 -2.32 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 3i12 s PHE 169 CO 0.72 0.31 0.88 -1.54 -0.10 0.00 0.00 175.22 175.49 3i12 s SER 170 N 0.23 6.03 0.25 1.36 1.04 -1.26 -4.91 113.70 116.44 3i12 s SER 170 Ca 0.18 0.97 -0.03 0.00 0.48 0.00 0.00 55.95 57.55 3i12 s SER 170 Cb -0.13 -2.13 0.51 0.00 0.10 0.00 0.00 66.02 64.37 3i12 s SER 170 CO 0.05 -0.81 1.70 0.15 0.98 0.00 0.00 173.24 175.31 3i12 h PHE 171 N -0.03 0.41 -0.59 5.02 3.57 -1.97 -1.08 116.94 122.27 3i12 h PHE 171 Ca -0.46 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 3i12 h PHE 171 Cb 1.22 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 3i12 h PHE 171 CO 0.56 -0.04 0.30 0.00 -2.23 0.00 0.00 178.31 176.91 3i12 h ALA 172 N 1.61 1.43 0.21 2.41 0.00 -1.99 -0.98 119.26 121.96 3i12 h ALA 172 Ca 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3i12 h ALA 172 Cb 0.75 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i12 h ALA 172 CO -0.48 0.46 -0.10 1.49 0.00 0.00 0.00 179.25 180.62 3i12 h GLU 173 N 0.82 -0.27 -0.79 0.00 4.81 -1.64 -2.08 114.58 115.42 3i12 h GLU 173 Ca 0.21 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.64 3i12 h GLU 173 Cb 0.05 0.06 -0.14 0.00 0.63 0.00 0.00 28.75 29.35 3i12 h GLU 173 CO -0.03 0.12 -0.01 0.28 -0.73 0.00 0.00 179.01 178.64 3i12 h VAL 174 N -0.80 0.29 -0.27 0.32 2.07 -1.17 -1.77 116.25 114.93 3i12 h VAL 174 Ca -0.03 -0.03 -0.14 0.00 0.82 0.00 0.00 66.70 67.32 3i12 h VAL 174 Cb 0.51 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3i12 h VAL 174 CO 0.05 0.02 -0.40 -0.08 0.02 0.00 0.00 177.57 177.17 3i12 h GLU 175 N 0.09 0.64 -0.35 1.57 4.81 -1.13 0.19 114.58 120.39 3i12 h GLU 175 Ca 0.43 -0.33 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 3i12 h GLU 175 Cb 0.77 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3i12 h GLU 175 CO -0.71 0.93 -0.11 0.66 -0.73 0.00 0.00 179.01 179.06 3i12 h SER 176 N 0.53 0.59 0.19 1.04 4.64 -0.96 0.16 113.55 119.73 3i12 h SER 176 Ca 0.04 -0.16 -0.26 0.00 -0.47 0.00 0.00 61.79 60.94 3i12 h SER 176 Cb 0.92 -0.16 0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3i12 h SER 176 CO 0.08 0.73 -1.08 0.03 -0.87 0.00 0.00 176.83 175.72 3i12 h ARG 177 N 0.56 0.56 0.00 4.77 3.08 -0.38 -3.40 114.38 119.56 3i12 h ARG 177 Ca 0.10 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 59.50 3i12 h ARG 177 Cb 0.51 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3i12 h ARG 177 CO 0.03 1.26 0.00 1.28 -1.07 0.00 0.00 179.97 181.47 3i12 n LEU 178 N -3.78 0.07 0.00 3.04 4.77 0.55 -5.06 117.00 116.59 3i12 n LEU 178 Ca -0.10 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 3i12 n LEU 178 Cb 0.90 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 3i12 n LEU 178 CO 0.55 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3i12 n GLY 179 N 0.88 -2.20 3.27 -0.72 0.00 0.54 -4.61 105.19 102.36 3i12 n GLY 179 Ca 0.00 -1.49 -0.18 0.00 0.00 0.00 0.00 46.02 44.35 3i12 n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i12 s LEU 180 N 0.00 2.46 0.84 0.99 1.43 -1.26 -4.58 118.68 118.56 3i12 s LEU 180 Ca 0.00 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 3i12 s LEU 180 Cb 0.00 -0.55 0.10 0.00 0.03 0.00 0.00 46.19 45.77 3i12 s LEU 180 CO 0.00 -0.18 1.13 -2.16 0.23 0.00 0.00 176.35 175.36 3i12 s PRO 181 N -3.10 1.71 0.23 1.29 0.04 -1.26 -4.89 135.00 129.02 3i12 s PRO 181 Ca 0.14 0.40 0.10 0.00 0.04 0.00 0.00 61.00 61.69 3i12 s PRO 181 Cb -0.03 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 3i12 s PRO 181 CO 0.04 -1.83 -0.13 -0.51 0.04 0.00 0.00 177.00 174.61 3i12 s LEU 182 N -5.83 2.81 -0.11 -3.56 1.43 -0.09 -1.57 118.68 111.76 3i12 s LEU 182 Ca 0.62 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3i12 s LEU 182 Cb -0.14 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 3i12 s LEU 182 CO 0.53 0.06 -0.18 -0.36 0.23 0.00 0.00 176.35 176.63 3i12 s PHE 183 N -2.08 2.70 -0.17 0.29 0.08 0.33 -0.60 117.98 118.52 3i12 s PHE 183 Ca 0.27 -0.81 -0.02 0.00 0.12 0.00 0.00 56.93 56.49 3i12 s PHE 183 Cb -0.07 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 3i12 s PHE 183 CO 0.15 -0.29 -0.08 0.08 -0.10 0.00 0.00 175.22 174.98 3i12 s VAL 184 N 0.31 3.37 0.00 -0.44 1.01 -0.21 -0.52 120.40 123.92 3i12 s VAL 184 Ca -0.14 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3i12 s VAL 184 Cb -0.17 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 3i12 s VAL 184 CO 0.07 0.48 -0.00 -0.54 0.00 0.00 0.00 175.10 175.11 3i12 s LYS 185 N 0.77 0.02 0.46 2.72 1.02 0.01 -1.30 119.74 123.45 3i12 s LYS 185 Ca -0.03 -0.04 -0.24 0.00 0.02 0.00 0.00 55.97 55.68 3i12 s LYS 185 Cb -0.15 0.00 -0.08 0.00 -0.52 0.00 0.00 37.83 37.08 3i12 s LYS 185 CO 0.02 -0.00 1.33 -2.30 -0.92 0.00 0.00 175.35 173.47 3i12 n PRO 186 N 3.00 1.95 -0.33 -1.68 -0.02 -1.26 -0.31 135.00 136.34 3i12 n PRO 186 Ca -0.13 0.70 -0.03 0.00 -2.02 0.00 0.00 63.50 62.03 3i12 n PRO 186 Cb 0.60 -2.50 0.10 0.00 -0.02 0.00 0.00 33.50 31.68 3i12 n PRO 186 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i12 h ALA 187 N 1.95 1.14 -3.49 3.55 0.00 -1.15 -3.41 119.26 117.85 3i12 h ALA 187 Ca -0.49 -0.05 -0.63 0.00 0.00 0.00 0.00 54.91 53.73 3i12 h ALA 187 Cb 1.29 -0.35 -0.37 0.00 0.00 0.00 0.00 17.79 18.37 3i12 h ALA 187 CO 0.59 0.50 -0.81 -0.80 0.00 0.00 0.00 179.25 178.73 3i12 s ASN 188 N -5.98 3.63 0.00 0.00 -0.87 -1.26 -1.61 114.94 108.85 3i12 s ASN 188 Ca -0.13 -0.99 0.00 0.00 -1.57 0.00 0.00 52.86 50.17 3i12 s ASN 188 Cb 0.17 -1.33 0.00 0.00 -0.02 0.00 0.00 41.25 40.07 3i12 s ASN 188 CO 0.80 -0.14 0.00 0.00 -2.57 0.00 0.00 177.10 175.19 3i12 n GLN 189 N 4.62 0.00 -2.60 -0.60 1.13 -1.26 -4.70 117.38 113.97 3i12 n GLN 189 Ca -0.15 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.67 3i12 n GLN 189 Cb 0.46 0.00 0.11 0.00 0.11 0.00 0.00 30.24 30.92 3i12 n GLN 189 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3i12 s GLY 190 N 0.00 1.76 0.00 1.08 0.00 -1.26 -4.85 107.32 104.04 3i12 s GLY 190 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.96 3i12 s GLY 190 CO 0.00 -1.19 0.00 -1.14 0.00 0.00 0.00 173.10 170.77 3i12 n SER 191 N -2.82 0.00 0.00 1.64 3.41 -1.26 -1.00 113.62 113.59 3i12 n SER 191 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 3i12 n SER 191 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 3i12 n SER 191 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i12 n SER 192 N 0.00 -0.70 -0.26 4.04 7.64 -1.26 -4.92 113.62 118.16 3i12 n SER 192 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 3i12 n SER 192 Cb 0.00 -0.17 -0.10 0.00 -1.01 0.00 0.00 64.21 62.94 3i12 n SER 192 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3i12 h VAL 193 N 0.00 0.00 -0.72 0.44 2.07 -1.41 -2.77 116.25 113.86 3i12 h VAL 193 Ca 0.00 0.00 -0.52 0.00 0.82 0.00 0.00 66.70 67.00 3i12 h VAL 193 Cb 0.00 0.00 -0.42 0.00 -1.52 0.00 0.00 31.29 29.35 3i12 h VAL 193 CO 0.00 0.00 -0.84 0.61 0.02 0.00 0.00 177.57 177.36 3i12 n GLY 194 N -1.31 6.01 3.83 2.17 0.00 -1.26 -5.04 105.19 109.59 3i12 n GLY 194 Ca -0.01 -2.52 -0.38 0.00 0.00 0.00 0.00 46.02 43.11 3i12 n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i12 s VAL 195 N -4.52 5.04 0.00 1.61 1.01 -1.05 -4.26 120.40 118.23 3i12 s VAL 195 Ca 0.49 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 63.29 3i12 s VAL 195 Cb 0.40 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 3i12 s VAL 195 CO 0.03 0.57 0.02 -0.44 0.00 0.00 0.00 175.10 175.28 3i12 s SER 196 N -1.00 0.07 -0.03 3.32 0.01 -0.42 -5.00 113.70 110.66 3i12 s SER 196 Ca 0.24 -0.17 -0.20 0.00 1.31 0.00 0.00 55.95 57.13 3i12 s SER 196 Cb -0.17 0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.11 3i12 s SER 196 CO 0.13 -0.15 0.56 -0.75 0.41 0.00 0.00 173.24 173.44 3i12 s LYS 197 N -0.66 4.30 -0.09 12.44 2.20 -1.26 -1.04 119.74 135.63 3i12 s LYS 197 Ca -0.07 0.66 0.02 0.00 -0.36 0.00 0.00 55.97 56.21 3i12 s LYS 197 Cb -0.05 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.93 3i12 s LYS 197 CO -0.00 0.33 -0.13 0.08 -0.36 0.00 0.00 175.35 175.26 3i12 s VAL 198 N -0.02 1.28 0.00 4.02 1.01 0.23 -4.98 120.40 121.94 3i12 s VAL 198 Ca 0.30 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3i12 s VAL 198 Cb -0.17 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3i12 s VAL 198 CO 0.15 0.39 0.27 0.00 0.00 0.00 0.00 175.10 175.92 3i12 n ALA 199 N 4.07 2.17 -3.89 5.51 0.00 -1.26 -0.91 120.51 126.20 3i12 n ALA 199 Ca -0.20 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 52.89 3i12 n ALA 199 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 3i12 n ALA 199 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3i12 n ASN 200 N -0.40 -1.70 -0.12 0.00 0.23 -1.26 -5.01 115.26 107.00 3i12 n ASN 200 Ca 0.00 -2.69 -0.13 0.00 -0.53 0.00 0.00 54.58 51.23 3i12 n ASN 200 Cb 0.01 2.98 -0.02 0.00 -2.08 0.00 0.00 39.78 40.66 3i12 n ASN 200 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3i12 h GLU 201 N 0.00 0.87 -0.32 -3.83 4.81 -1.98 -1.81 114.58 112.32 3i12 h GLU 201 Ca -0.29 -0.44 -0.02 0.00 -0.13 0.00 0.00 59.36 58.48 3i12 h GLU 201 Cb 1.16 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3i12 h GLU 201 CO 0.38 1.09 0.12 0.00 -0.73 0.00 0.00 179.01 179.86 3i12 h ALA 202 N 0.77 0.42 -0.87 2.92 0.00 -2.00 -0.15 119.26 120.35 3i12 h ALA 202 Ca 0.07 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 54.99 3i12 h ALA 202 Cb 0.90 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 3i12 h ALA 202 CO 0.08 0.03 0.57 1.96 0.00 0.00 0.00 179.25 181.89 3i12 h GLN 203 N 0.37 0.59 -0.01 0.00 4.20 -1.91 -2.19 115.11 116.15 3i12 h GLN 203 Ca 0.11 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3i12 h GLN 203 Cb 0.21 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3i12 h GLN 203 CO -0.01 0.39 -0.05 -0.92 -0.67 0.00 0.00 178.83 177.58 3i12 h TYR 204 N 0.61 0.08 -0.89 2.96 3.20 -0.20 0.16 116.97 122.89 3i12 h TYR 204 Ca 0.44 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.26 3i12 h TYR 204 Cb 0.80 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.02 3i12 h TYR 204 CO -0.00 0.67 0.48 1.96 -1.64 0.00 0.00 178.16 179.62 3i12 h GLN 205 N -0.54 1.24 0.38 1.82 4.20 -1.16 -0.73 115.11 120.33 3i12 h GLN 205 Ca -0.00 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 3i12 h GLN 205 Cb 0.67 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3i12 h GLN 205 CO 0.01 0.91 -0.18 1.96 -0.67 0.00 0.00 178.83 180.86 3i12 h GLN 206 N 1.24 -0.49 -0.91 1.46 1.08 -1.32 -2.11 115.11 114.06 3i12 h GLN 206 Ca 0.31 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.61 3i12 h GLN 206 Cb 0.04 0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 27.51 3i12 h GLN 206 CO -0.05 -0.25 0.57 0.00 -0.95 0.00 0.00 178.83 178.16 3i12 h ALA 207 N -0.09 1.27 -0.20 3.87 0.00 -0.44 -1.45 119.26 122.22 3i12 h ALA 207 Ca -0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3i12 h ALA 207 Cb 0.47 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i12 h ALA 207 CO 0.09 0.32 -0.14 0.28 0.00 0.00 0.00 179.25 179.79 3i12 h VAL 208 N 1.03 1.32 -0.96 0.00 2.07 -1.14 -0.99 116.25 117.58 3i12 h VAL 208 Ca 0.40 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.69 3i12 h VAL 208 Cb 0.20 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 3i12 h VAL 208 CO -0.18 0.38 0.63 0.00 0.02 0.00 0.00 177.57 178.42 3i12 h ALA 209 N 0.67 1.36 -0.44 1.67 0.00 -1.20 -2.37 119.26 118.96 3i12 h ALA 209 Ca 0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3i12 h ALA 209 Cb 0.66 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3i12 h ALA 209 CO 0.04 0.55 -0.05 1.25 0.00 0.00 0.00 179.25 181.04 3i12 h LEU 210 N 1.24 0.81 -1.18 0.00 5.85 -0.93 -3.02 115.31 118.08 3i12 h LEU 210 Ca 0.38 -0.34 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 3i12 h LEU 210 Cb -0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3i12 h LEU 210 CO -0.11 0.95 -0.32 0.00 -0.34 0.00 0.00 178.44 178.62 3i12 h ALA 211 N 0.88 1.32 0.00 1.25 0.00 -0.96 -2.00 119.26 119.75 3i12 h ALA 211 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3i12 h ALA 211 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i12 h ALA 211 CO 0.03 0.48 0.00 1.19 0.00 0.00 0.00 179.25 180.95 3i12 n PHE 212 N -4.12 0.00 0.47 0.00 3.01 -0.91 -1.57 117.46 114.34 3i12 n PHE 212 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.56 3i12 n PHE 212 Cb 0.40 -0.02 0.10 0.00 -0.01 0.00 0.00 39.48 39.94 3i12 n PHE 212 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i12 n GLU 213 N -1.02 0.36 -0.01 -1.08 1.02 -0.75 -4.16 120.64 115.00 3i12 n GLU 213 Ca 0.16 0.07 0.10 0.00 -0.02 0.00 0.00 57.16 57.46 3i12 n GLU 213 Cb 0.08 -1.69 -0.15 0.00 -0.02 0.00 0.00 31.44 29.66 3i12 n GLU 213 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3i12 n PHE 214 N -2.19 0.00 -3.79 -0.32 3.72 -0.61 -5.06 117.46 109.21 3i12 n PHE 214 Ca 0.02 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.34 3i12 n PHE 214 Cb 0.46 -0.43 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 3i12 n PHE 214 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3i12 s ASP 215 N -4.18 -0.29 0.00 4.37 2.15 -1.03 -4.94 116.67 112.75 3i12 s ASP 215 Ca -0.07 -0.53 0.24 0.00 0.43 0.00 0.00 52.55 52.62 3i12 s ASP 215 Cb 0.12 0.67 0.48 0.00 -0.30 0.00 0.00 42.92 43.90 3i12 s ASP 215 CO 0.81 -1.22 1.43 1.41 -0.17 0.00 0.00 175.17 177.42 3i12 n HIS 216 N -0.42 0.15 -4.21 -5.34 8.25 -1.26 -4.36 115.22 108.03 3i12 n HIS 216 Ca -0.07 -0.07 -0.16 0.00 -0.26 0.00 0.00 57.72 57.16 3i12 n HIS 216 Cb 0.61 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.57 3i12 n HIS 216 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3i12 s LYS 217 N -1.85 0.51 -0.06 -0.41 1.02 -1.26 -3.88 119.74 113.80 3i12 s LYS 217 Ca 0.33 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 56.10 3i12 s LYS 217 Cb 0.21 -0.48 0.02 0.00 -0.52 0.00 0.00 37.83 37.05 3i12 s LYS 217 CO 0.31 0.13 -0.10 0.08 -0.92 0.00 0.00 175.35 174.84 3i12 s VAL 218 N -0.19 1.01 -0.12 3.17 1.01 -0.23 -0.54 120.40 124.49 3i12 s VAL 218 Ca 0.02 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 3i12 s VAL 218 Cb -0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3i12 s VAL 218 CO -0.00 0.33 0.42 -0.69 0.00 0.00 0.00 175.10 175.15 3i12 s VAL 219 N 0.77 5.21 -0.20 2.92 1.01 0.57 0.07 120.40 130.76 3i12 s VAL 219 Ca -0.13 0.82 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 3i12 s VAL 219 Cb -0.15 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.48 3i12 s VAL 219 CO 0.02 0.36 -0.13 -0.69 0.00 0.00 0.00 175.10 174.66 3i12 s VAL 220 N 0.48 2.62 0.14 2.92 1.01 -0.39 -0.81 120.40 126.38 3i12 s VAL 220 Ca 0.23 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.51 3i12 s VAL 220 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3i12 s VAL 220 CO 0.08 0.47 -0.18 -1.61 0.00 0.00 0.00 175.10 173.86 3i12 s GLU 221 N 1.36 1.18 0.16 2.72 2.02 0.32 -1.36 118.70 125.10 3i12 s GLU 221 Ca 0.05 -1.32 -0.30 0.00 0.02 0.00 0.00 54.97 53.42 3i12 s GLU 221 Cb -0.14 -1.23 -0.08 0.00 0.10 0.00 0.00 34.13 32.78 3i12 s GLU 221 CO -0.09 0.25 1.26 -1.14 0.02 0.00 0.00 175.26 175.57 3i12 s GLN 222 N -2.59 4.42 0.13 1.61 0.74 -0.67 -0.52 119.66 122.79 3i12 s GLN 222 Ca 0.12 1.95 -0.31 0.00 0.05 0.00 0.00 55.36 57.17 3i12 s GLN 222 Cb -0.06 -3.24 -0.09 0.00 1.10 0.00 0.00 33.01 30.72 3i12 s GLN 222 CO 0.05 -0.22 1.46 0.20 -0.55 0.00 0.00 175.29 176.23 3i12 s GLY 223 N 0.50 1.80 -0.16 2.59 0.00 -0.61 -4.74 107.32 106.71 3i12 s GLY 223 Ca 0.57 1.22 -0.09 0.00 0.00 0.00 0.00 44.72 46.41 3i12 s GLY 223 CO 0.35 2.47 0.15 -0.42 0.00 0.00 0.00 173.10 175.65 3i12 s ILE 224 N 1.15 5.43 -0.31 0.90 -1.09 -1.26 -4.88 121.20 121.14 3i12 s ILE 224 Ca 0.67 0.24 -0.17 0.00 -2.23 0.00 0.00 60.65 59.15 3i12 s ILE 224 Cb -0.40 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 3i12 s ILE 224 CO 0.31 0.51 0.48 -0.54 -1.23 0.00 0.00 174.94 174.46 3i12 s LYS 225 N -0.22 3.80 0.00 2.79 -0.14 -1.26 -5.03 119.74 119.67 3i12 s LYS 225 Ca 0.12 -0.03 0.00 0.00 -1.36 0.00 0.00 55.97 54.70 3i12 s LYS 225 Cb -0.12 -3.74 0.00 0.00 -1.68 0.00 0.00 37.83 32.29 3i12 s LYS 225 CO 0.01 -0.50 0.00 0.41 -0.76 0.00 0.00 175.35 174.51 3i12 n GLY 226 N 4.69 -0.57 3.78 -3.33 0.00 -1.26 -4.43 105.19 104.08 3i12 n GLY 226 Ca -0.06 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 3i12 n GLY 226 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i12 s ARG 227 N -2.00 4.51 -0.42 1.61 0.52 -0.36 -4.78 118.95 118.04 3i12 s ARG 227 Ca 0.00 1.35 -0.17 0.00 -0.52 0.00 0.00 55.73 56.39 3i12 s ARG 227 Cb 0.00 -2.74 0.02 0.00 0.52 0.00 0.00 34.95 32.75 3i12 s ARG 227 CO 0.00 0.21 0.42 -1.21 0.02 0.00 0.00 175.30 174.74 3i12 s GLU 228 N -2.17 3.10 -0.02 3.54 2.02 -1.26 -0.78 118.70 123.12 3i12 s GLU 228 Ca 0.52 -0.77 0.05 0.00 0.02 0.00 0.00 54.97 54.79 3i12 s GLU 228 Cb -0.19 -3.96 -0.03 0.00 0.10 0.00 0.00 34.13 30.05 3i12 s GLU 228 CO 0.24 -0.84 -0.18 0.42 0.02 0.00 0.00 175.26 174.92 3i12 s ILE 229 N 2.10 2.73 0.13 -1.63 -1.09 -0.63 -1.07 121.20 121.74 3i12 s ILE 229 Ca 0.11 -0.91 0.09 0.00 -2.23 0.00 0.00 60.65 57.71 3i12 s ILE 229 Cb -0.17 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 38.62 3i12 s ILE 229 CO 0.13 0.54 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.57 3i12 s GLU 230 N -0.82 1.22 -0.01 2.79 2.02 0.49 -0.74 118.70 123.65 3i12 s GLU 230 Ca 0.12 -1.28 -0.00 0.00 0.02 0.00 0.00 54.97 53.82 3i12 s GLU 230 Cb -0.10 -1.43 0.01 0.00 0.10 0.00 0.00 34.13 32.70 3i12 s GLU 230 CO 0.01 0.32 0.02 0.00 0.02 0.00 0.00 175.26 175.63 3i12 s ALA 232 N 0.43 3.64 -0.05 0.00 0.00 -1.26 -0.96 121.76 123.56 3i12 s ALA 232 Ca -0.04 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.35 3i12 s ALA 232 Cb -0.05 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 3i12 s ALA 232 CO -0.01 0.10 -0.13 0.08 0.00 0.00 0.00 175.76 175.80 3i12 s VAL 233 N 0.46 3.19 -0.03 0.00 1.01 0.61 -0.16 120.40 125.47 3i12 s VAL 233 Ca 0.11 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3i12 s VAL 233 Cb -0.12 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.02 3i12 s VAL 233 CO 0.01 0.59 -0.02 -0.22 0.00 0.00 0.00 175.10 175.46 3i12 s LEU 234 N -0.73 1.38 0.00 3.92 2.96 -0.13 -1.52 118.68 124.55 3i12 s LEU 234 Ca 0.11 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 3i12 s LEU 234 Cb -0.11 -0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.29 3i12 s LEU 234 CO 0.01 -0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 3i12 n GLY 235 N 3.89 0.86 0.00 7.98 0.00 0.04 -0.91 105.19 117.04 3i12 n GLY 235 Ca -0.24 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.63 3i12 n GLY 235 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i12 n ASN 236 N 1.36 0.00 -0.01 1.61 5.03 -1.26 -0.88 115.26 121.12 3i12 n ASN 236 Ca 0.00 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.40 3i12 n ASN 236 Cb 0.00 0.00 0.16 0.00 -1.02 0.00 0.00 39.78 38.92 3i12 n ASN 236 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 3i12 h ASP 237 N 0.00 0.56 -2.81 6.41 3.32 -1.98 -3.35 116.42 118.56 3i12 h ASP 237 Ca 0.00 -0.21 -0.64 0.00 0.02 0.00 0.00 57.03 56.21 3i12 h ASP 237 Cb 0.00 -0.15 -0.40 0.00 0.22 0.00 0.00 39.33 38.99 3i12 h ASP 237 CO 0.00 0.83 -0.43 0.59 -1.72 0.00 0.00 179.24 178.51 3i12 n ASN 238 N -4.09 3.65 -4.84 6.45 4.13 -1.26 -5.07 115.26 114.23 3i12 n ASN 238 Ca -0.01 -3.29 -0.31 0.00 1.68 0.00 0.00 54.58 52.65 3i12 n ASN 238 Cb 0.44 -0.80 0.03 0.00 -1.54 0.00 0.00 39.78 37.91 3i12 n ASN 238 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3i12 s PRO 239 N -1.87 3.25 0.07 3.52 0.04 -1.26 -4.89 135.00 133.86 3i12 s PRO 239 Ca 0.31 0.88 0.08 0.00 0.04 0.00 0.00 61.00 62.31 3i12 s PRO 239 Cb 0.02 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 3i12 s PRO 239 CO -0.10 -0.85 -0.21 -0.65 0.04 0.00 0.00 177.00 175.24 3i12 s GLN 240 N -5.04 1.89 -0.16 4.56 -0.21 -0.09 -4.95 119.66 115.66 3i12 s GLN 240 Ca 0.57 -1.09 -0.04 0.00 0.02 0.00 0.00 55.36 54.82 3i12 s GLN 240 Cb -0.13 -2.10 -0.03 0.00 1.00 0.00 0.00 33.01 31.76 3i12 s GLN 240 CO 0.53 0.51 -0.03 0.00 -2.12 0.00 0.00 175.29 174.19 3i12 s ALA 241 N -0.95 3.04 1.27 6.09 0.00 -1.26 -0.96 121.76 128.99 3i12 s ALA 241 Ca 0.15 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 3i12 s ALA 241 Cb -0.10 -1.60 0.31 0.00 0.00 0.00 0.00 23.12 21.73 3i12 s ALA 241 CO 0.06 0.18 1.00 -1.54 0.00 0.00 0.00 175.76 175.46 3i12 s SER 242 N 0.41 0.19 0.77 0.00 1.04 0.77 -4.99 113.70 111.89 3i12 s SER 242 Ca -0.03 1.07 -0.11 0.00 0.48 0.00 0.00 55.95 57.36 3i12 s SER 242 Cb -0.14 -1.60 0.06 0.00 0.10 0.00 0.00 66.02 64.43 3i12 s SER 242 CO 0.03 -4.63 1.10 0.28 0.98 0.00 0.00 173.24 170.99 3i12 s THR 243 N -2.50 3.27 0.51 2.02 -1.32 -1.26 -4.67 115.64 111.69 3i12 s THR 243 Ca 0.69 0.42 -0.10 0.00 -1.21 0.00 0.00 61.69 61.49 3i12 s THR 243 Cb -0.17 -2.89 -0.05 0.00 -1.51 0.00 0.00 72.50 67.87 3i12 s THR 243 CO 0.60 -0.53 0.88 0.00 -2.21 0.00 0.00 174.62 173.36 3i12 s GLY 245 N -3.76 1.67 0.02 0.00 0.00 0.19 -0.81 107.32 104.62 3i12 s GLY 245 Ca 0.52 -1.81 0.06 0.00 0.00 0.00 0.00 44.72 43.49 3i12 s GLY 245 CO 0.42 -1.79 -0.17 1.85 0.00 0.00 0.00 173.10 173.41 3i12 s GLU 246 N -3.73 1.27 -0.22 2.90 2.12 -0.26 -0.38 118.70 120.40 3i12 s GLU 246 Ca 0.27 -0.76 -0.11 0.00 0.36 0.00 0.00 54.97 54.74 3i12 s GLU 246 Cb 0.03 -1.29 -0.05 0.00 0.26 0.00 0.00 34.13 33.08 3i12 s GLU 246 CO 0.10 0.34 0.16 0.42 -0.54 0.00 0.00 175.26 175.74 3i12 s ILE 247 N -0.65 5.37 -0.02 -3.70 1.01 -0.23 -0.47 121.20 122.51 3i12 s ILE 247 Ca 0.06 0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.99 3i12 s ILE 247 Cb -0.08 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 3i12 s ILE 247 CO 0.01 0.38 -0.22 -0.69 0.00 0.00 0.00 174.94 174.42 3i12 s VAL 248 N 0.81 1.70 0.00 2.92 1.01 -1.26 -4.30 120.40 121.28 3i12 s VAL 248 Ca 0.08 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3i12 s VAL 248 Cb -0.13 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3i12 s VAL 248 CO 0.02 0.48 0.00 0.18 0.00 0.00 0.00 175.10 175.78 3i12 n LEU 249 N 2.56 0.00 0.00 3.92 4.77 -1.26 -4.79 117.00 122.20 3i12 n LEU 249 Ca -0.15 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3i12 n LEU 249 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3i12 n LEU 249 CO 0.24 -0.32 0.00 1.67 -1.33 0.00 0.00 177.39 177.65 3i12 n GLN 267 N 1.70 0.00 -3.62 3.23 7.27 -1.26 -5.27 117.38 119.43 3i12 n GLN 267 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.71 3i12 n GLN 267 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 3i12 n GLN 267 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3i12 s VAL 268 N 0.00 5.35 -0.20 1.69 1.01 -1.26 -4.31 120.40 122.68 3i12 s VAL 268 Ca 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 3i12 s VAL 268 Cb 0.00 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.82 3i12 s VAL 268 CO 0.00 0.42 -0.13 -0.69 0.00 0.00 0.00 175.10 174.69 3i12 s VAL 269 N 0.36 2.58 -0.09 2.92 1.01 0.38 -4.99 120.40 122.57 3i12 s VAL 269 Ca 0.13 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3i12 s VAL 269 Cb -0.12 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.13 3i12 s VAL 269 CO 0.02 0.46 -0.08 -0.69 0.00 0.00 0.00 175.10 174.80 3i12 s VAL 270 N 1.35 0.97 0.57 2.92 1.01 -1.26 -1.10 120.40 124.86 3i12 s VAL 270 Ca 0.05 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 3i12 s VAL 270 Cb -0.14 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 3i12 s VAL 270 CO -0.09 0.34 1.04 -2.16 0.00 0.00 0.00 175.10 174.23 3i12 s PRO 271 N 1.27 3.49 0.41 2.72 0.04 -1.26 -5.07 135.00 136.60 3i12 s PRO 271 Ca -0.04 1.18 -0.27 0.00 0.04 0.00 0.00 61.00 61.92 3i12 s PRO 271 Cb -0.14 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 3i12 s PRO 271 CO -0.03 -0.67 1.40 0.00 0.04 0.00 0.00 177.00 177.74 3i12 s ALA 272 N -2.42 3.37 -1.14 8.56 0.00 0.01 -4.82 121.76 125.31 3i12 s ALA 272 Ca 0.63 1.42 -0.17 0.00 0.00 0.00 0.00 51.96 53.84 3i12 s ALA 272 Cb -0.15 -3.56 0.12 0.00 0.00 0.00 0.00 23.12 19.53 3i12 s ALA 272 CO 0.34 -1.00 1.44 -1.14 0.00 0.00 0.00 175.76 175.39 3i12 s GLN 273 N -2.23 3.88 0.06 0.00 0.74 -1.26 -4.92 119.66 115.94 3i12 s GLN 273 Ca 0.56 -2.04 0.01 0.00 0.05 0.00 0.00 55.36 53.94 3i12 s GLN 273 Cb -0.43 -5.19 -0.03 0.00 1.10 0.00 0.00 33.01 28.46 3i12 s GLN 273 CO 0.56 -1.95 -0.06 0.96 -0.55 0.00 0.00 175.29 174.25 3i12 s ILE 274 N 2.97 0.50 1.02 -2.34 -4.36 -1.26 -5.14 121.20 112.59 3i12 s ILE 274 Ca 0.44 -1.56 -0.11 0.00 -0.26 0.00 0.00 60.65 59.16 3i12 s ILE 274 Cb -0.01 -1.19 0.21 0.00 1.25 0.00 0.00 42.46 42.71 3i12 s ILE 274 CO -0.02 -0.72 1.10 -2.84 0.24 0.00 0.00 174.94 172.70 3i12 s PRO 275 N -2.95 0.18 0.35 0.37 0.02 -1.26 -4.79 135.00 126.92 3i12 s PRO 275 Ca 0.02 1.28 0.13 0.00 0.02 0.00 0.00 61.00 62.44 3i12 s PRO 275 Cb -0.00 -1.65 0.63 0.00 0.02 0.00 0.00 34.50 33.50 3i12 s PRO 275 CO -0.04 -3.12 1.76 0.66 -0.33 0.00 0.00 177.00 175.94 3i12 h SER 276 N -2.21 0.00 -0.08 2.53 4.64 -1.99 -1.32 113.55 115.13 3i12 h SER 276 Ca -0.51 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.67 3i12 h SER 276 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3i12 h SER 276 CO 0.45 0.44 -0.42 -0.08 -0.87 0.00 0.00 176.83 176.34 3i12 h GLU 277 N 0.00 0.61 -0.22 4.77 4.57 -1.99 0.67 114.58 123.00 3i12 h GLU 277 Ca -0.00 -0.32 -0.15 0.00 -1.18 0.00 0.00 59.36 57.71 3i12 h GLU 277 Cb 0.80 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 3i12 h GLU 277 CO 0.06 0.92 -0.43 0.28 -1.18 0.00 0.00 179.01 178.65 3i12 h VAL 278 N 0.50 1.32 -0.26 0.32 2.07 -1.83 -1.35 116.25 117.01 3i12 h VAL 278 Ca 0.04 -1.65 0.04 0.00 0.82 0.00 0.00 66.70 65.94 3i12 h VAL 278 Cb 0.94 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 3i12 h VAL 278 CO 0.08 0.52 0.04 -1.13 0.02 0.00 0.00 177.57 177.11 3i12 h ASN 279 N 0.38 -0.01 0.50 0.57 -0.00 -0.90 -0.52 115.58 115.61 3i12 h ASN 279 Ca 0.01 0.04 -0.09 0.00 -0.00 0.00 0.00 56.30 56.26 3i12 h ASN 279 Cb 1.04 0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 39.41 3i12 h ASN 279 CO 0.10 0.03 -0.43 0.44 -0.00 0.00 0.00 177.43 177.57 3i12 h ASP 280 N 0.14 0.00 -0.13 1.15 3.32 -0.87 -0.78 116.42 119.24 3i12 h ASP 280 Ca 0.12 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3i12 h ASP 280 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3i12 h ASP 280 CO -0.17 0.43 -0.08 0.50 -1.72 0.00 0.00 179.24 178.20 3i12 h LYS 281 N 0.00 0.29 -0.03 3.56 3.64 -0.27 -0.80 116.57 122.96 3i12 h LYS 281 Ca -0.00 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3i12 h LYS 281 Cb 0.80 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3i12 h LYS 281 CO 0.06 0.64 0.02 0.82 -2.27 0.00 0.00 179.45 178.72 3i12 h ILE 282 N -0.06 1.07 -0.54 2.00 5.03 -1.09 -1.26 117.51 122.65 3i12 h ILE 282 Ca 0.03 -0.20 0.09 0.00 -0.12 0.00 0.00 64.86 64.66 3i12 h ILE 282 Cb 0.57 1.15 -0.08 0.00 -3.03 0.00 0.00 36.82 35.44 3i12 h ILE 282 CO 0.02 0.06 0.12 0.03 -0.68 0.00 0.00 178.15 177.70 3i12 h ARG 283 N -0.04 0.25 -0.59 2.37 3.08 -0.98 0.93 114.38 119.41 3i12 h ARG 283 Ca 0.01 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3i12 h ARG 283 Cb 0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3i12 h ARG 283 CO -0.00 0.17 0.01 0.00 -1.07 0.00 0.00 179.97 179.08 3i12 h ALA 284 N 1.42 0.90 -0.74 0.04 0.00 -0.95 -2.26 119.26 117.68 3i12 h ALA 284 Ca 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i12 h ALA 284 Cb 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3i12 h ALA 284 CO -0.35 0.65 0.34 0.82 0.00 0.00 0.00 179.25 180.72 3i12 h ILE 285 N 0.94 1.24 -0.68 0.00 2.04 -0.73 -1.42 117.51 118.90 3i12 h ILE 285 Ca 0.17 -0.70 0.08 0.00 1.00 0.00 0.00 64.86 65.41 3i12 h ILE 285 Cb 0.53 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 3i12 h ILE 285 CO 0.03 0.29 0.34 0.00 0.00 0.00 0.00 178.15 178.81 3i12 h ALA 286 N 1.17 0.93 -0.49 1.87 0.00 -0.44 0.72 119.26 123.02 3i12 h ALA 286 Ca 0.25 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 3i12 h ALA 286 Cb 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3i12 h ALA 286 CO -0.03 -0.04 -0.14 0.82 0.00 0.00 0.00 179.25 179.86 3i12 h ILE 287 N 0.60 1.27 -0.57 0.00 2.04 -1.16 0.15 117.51 119.84 3i12 h ILE 287 Ca 0.33 -1.28 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 3i12 h ILE 287 Cb 0.31 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3i12 h ILE 287 CO -0.24 0.45 0.22 1.56 0.00 0.00 0.00 178.15 180.13 3i12 h GLN 288 N 0.83 0.86 -0.55 2.37 4.20 -0.59 -0.58 115.11 121.65 3i12 h GLN 288 Ca 0.13 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3i12 h GLN 288 Cb 0.69 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 3i12 h GLN 288 CO 0.05 0.75 0.34 0.00 -0.67 0.00 0.00 178.83 179.29 3i12 h ALA 289 N 1.07 0.70 -0.92 3.87 0.00 -0.57 -0.47 119.26 122.94 3i12 h ALA 289 Ca 0.19 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3i12 h ALA 289 Cb 0.21 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3i12 h ALA 289 CO -0.01 0.17 0.58 -0.92 0.00 0.00 0.00 179.25 179.07 3i12 h TYR 290 N 0.74 1.08 -0.05 0.00 3.20 -0.29 -1.62 116.97 120.03 3i12 h TYR 290 Ca 0.20 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.87 3i12 h TYR 290 Cb -0.03 -0.35 0.02 0.00 1.54 0.00 0.00 36.73 37.90 3i12 h TYR 290 CO -0.03 0.56 -0.85 1.96 -1.64 0.00 0.00 178.16 178.17 3i12 h GLN 291 N 1.07 0.66 -0.80 1.82 4.20 -0.77 -1.97 115.11 119.31 3i12 h GLN 291 Ca 0.40 -0.64 0.01 0.00 0.06 0.00 0.00 58.65 58.47 3i12 h GLN 291 Cb 0.16 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 3i12 h GLN 291 CO -0.17 1.24 0.53 1.15 -0.67 0.00 0.00 178.83 180.92 3i12 h THR 292 N 0.31 1.21 -0.17 -0.54 2.02 -0.77 -1.99 112.91 112.98 3i12 h THR 292 Ca -0.09 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3i12 h THR 292 Cb 1.50 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3i12 h THR 292 CO 0.17 0.20 0.00 0.18 0.37 0.00 0.00 175.52 176.44 3i12 n LEU 293 N -4.41 1.91 -1.19 2.58 4.32 -0.64 -4.96 117.00 114.60 3i12 n LEU 293 Ca 0.09 -0.77 -0.14 0.00 -0.02 0.00 0.00 56.01 55.17 3i12 n LEU 293 Cb 0.03 -0.10 -0.04 0.00 -1.62 0.00 0.00 43.42 41.68 3i12 n LEU 293 CO 0.36 0.39 -0.14 0.61 -1.22 0.00 0.00 177.39 177.39 3i12 n GLY 294 N 1.19 0.97 3.68 -0.72 0.00 -0.75 -4.46 105.19 105.10 3i12 n GLY 294 Ca 0.17 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3i12 n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i12 s ALA 296 N -2.02 0.22 0.00 0.00 0.00 -1.26 -4.90 121.76 113.80 3i12 s ALA 296 Ca 0.74 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3i12 s ALA 296 Cb -0.30 0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3i12 s ALA 296 CO 0.50 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.50 3i12 n GLY 297 N 1.40 1.63 3.29 0.00 0.00 -0.06 -2.24 105.19 109.21 3i12 n GLY 297 Ca -0.23 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 3i12 n GLY 297 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3i12 s MET 298 N 0.00 0.92 0.16 1.61 0.00 -1.26 -0.78 119.30 119.95 3i12 s MET 298 Ca 0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 55.69 54.91 3i12 s MET 298 Cb 0.00 0.40 0.06 0.00 0.00 0.00 0.00 34.83 35.29 3i12 s MET 298 CO 0.00 -0.32 0.57 0.00 0.00 0.00 0.00 175.02 175.26 3i12 s ALA 299 N -3.01 -1.44 -0.16 3.16 0.00 -0.58 -4.69 121.76 115.05 3i12 s ALA 299 Ca -0.02 0.33 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 3i12 s ALA 299 Cb 0.01 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 3i12 s ALA 299 CO -0.06 -0.76 -0.05 0.50 0.00 0.00 0.00 175.76 175.39 3i12 s ARG 300 N -3.77 3.61 -0.22 0.00 3.52 -0.41 -0.29 118.95 121.40 3i12 s ARG 300 Ca 0.02 -0.55 -0.05 0.00 -0.13 0.00 0.00 55.73 55.01 3i12 s ARG 300 Cb -0.01 -2.88 -0.02 0.00 -1.56 0.00 0.00 34.95 30.48 3i12 s ARG 300 CO -0.12 0.21 0.01 0.08 -0.81 0.00 0.00 175.30 174.67 3i12 s VAL 301 N 0.44 3.95 -0.15 7.11 1.01 -0.13 -1.12 120.40 131.51 3i12 s VAL 301 Ca -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 3i12 s VAL 301 Cb -0.14 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3i12 s VAL 301 CO 0.03 0.40 -0.05 -1.81 0.00 0.00 0.00 175.10 173.68 3i12 s ASP 302 N 1.28 4.74 0.16 3.32 1.01 -0.67 -1.53 116.67 124.97 3i12 s ASP 302 Ca 0.04 -0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.20 3i12 s ASP 302 Cb -0.15 -1.74 -0.05 0.00 1.01 0.00 0.00 42.92 41.99 3i12 s ASP 302 CO 0.01 0.18 -0.07 0.68 0.21 0.00 0.00 175.17 176.19 3i12 s VAL 303 N 0.29 1.05 -0.14 -1.27 -7.23 0.08 -1.12 120.40 112.06 3i12 s VAL 303 Ca -0.04 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.04 3i12 s VAL 303 Cb -0.14 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 3i12 s VAL 303 CO 0.03 -0.64 0.05 -0.36 -0.31 0.00 0.00 175.10 173.87 3i12 s PHE 304 N -3.41 3.27 -0.32 2.82 0.08 0.14 -1.60 117.98 118.94 3i12 s PHE 304 Ca 0.19 0.15 -0.08 0.00 0.12 0.00 0.00 56.93 57.32 3i12 s PHE 304 Cb 0.04 -1.97 0.02 0.00 -0.57 0.00 0.00 43.02 40.54 3i12 s PHE 304 CO 0.02 0.32 0.12 -1.17 -0.10 0.00 0.00 175.22 174.41 3i12 s LEU 305 N -0.21 4.17 0.78 -0.37 2.96 0.04 -1.00 118.68 125.05 3i12 s LEU 305 Ca 0.07 -0.86 -0.12 0.00 -0.22 0.00 0.00 54.13 53.00 3i12 s LEU 305 Cb -0.12 -1.92 0.06 0.00 0.50 0.00 0.00 46.19 44.71 3i12 s LEU 305 CO 0.02 -0.27 1.14 0.42 -1.32 0.00 0.00 176.35 176.34 3i12 s THR 306 N 1.49 2.62 0.41 3.68 -4.23 0.07 -1.22 115.64 118.46 3i12 s THR 306 Ca 0.01 0.20 0.22 0.00 -1.18 0.00 0.00 61.69 60.95 3i12 s THR 306 Cb -0.18 -3.16 0.42 0.00 1.34 0.00 0.00 72.50 70.92 3i12 s THR 306 CO 0.04 -0.26 1.71 0.00 -0.54 0.00 0.00 174.62 175.57 3i12 h ALA 307 N -0.96 2.40 -0.89 3.99 0.00 -1.90 0.19 119.26 122.10 3i12 h ALA 307 Ca -0.46 0.09 -0.41 0.00 0.00 0.00 0.00 54.91 54.13 3i12 h ALA 307 Cb 1.30 0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.94 3i12 h ALA 307 CO 0.64 -0.89 0.50 -0.40 0.00 0.00 0.00 179.25 179.10 3i12 n ASP 308 N -4.67 4.02 -1.77 0.00 5.75 -1.26 -4.92 116.55 113.69 3i12 n ASP 308 Ca 0.30 -3.50 -0.18 0.00 -0.01 0.00 0.00 54.79 51.40 3i12 n ASP 308 Cb 1.08 -0.80 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 3i12 n ASP 308 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3i12 n ASN 309 N -0.85 -5.16 -4.77 -1.12 3.02 0.67 -4.99 115.26 102.07 3i12 n ASN 309 Ca 0.53 0.15 -0.38 0.00 -0.03 0.00 0.00 54.58 54.85 3i12 n ASN 309 Cb 1.56 -4.23 -0.06 0.00 -0.61 0.00 0.00 39.78 36.44 3i12 n ASN 309 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3i12 s GLU 310 N -4.37 4.60 -0.27 3.52 0.41 -1.26 -4.83 118.70 116.51 3i12 s GLU 310 Ca 0.00 1.44 -0.05 0.00 -0.41 0.00 0.00 54.97 55.94 3i12 s GLU 310 Cb 0.00 -2.91 0.01 0.00 -1.78 0.00 0.00 34.13 29.45 3i12 s GLU 310 CO 0.00 0.27 0.03 0.08 -0.49 0.00 0.00 175.26 175.15 3i12 s VAL 311 N -1.48 3.64 -0.20 2.63 1.01 -1.26 -0.75 120.40 123.99 3i12 s VAL 311 Ca 0.49 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 3i12 s VAL 311 Cb -0.22 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 3i12 s VAL 311 CO 0.28 0.18 -0.09 -0.69 0.00 0.00 0.00 175.10 174.78 3i12 s VAL 312 N 1.46 3.06 -0.07 2.92 1.01 -0.17 -4.40 120.40 124.21 3i12 s VAL 312 Ca 0.03 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 3i12 s VAL 312 Cb -0.16 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3i12 s VAL 312 CO -0.00 0.46 0.88 -0.63 0.00 0.00 0.00 175.10 175.81 3i12 s ILE 313 N 1.27 4.90 -0.27 2.22 1.01 -0.46 0.23 121.20 130.10 3i12 s ILE 313 Ca 0.03 1.80 -0.15 0.00 0.00 0.00 0.00 60.65 62.34 3i12 s ILE 313 Cb -0.14 -4.21 -0.12 0.00 0.01 0.00 0.00 42.46 38.00 3i12 s ILE 313 CO -0.04 0.13 -0.33 -3.20 0.00 0.00 0.00 174.94 171.50 3i12 n ASN 314 N 4.35 1.95 -3.82 3.58 5.15 -0.28 -4.29 115.26 121.91 3i12 n ASN 314 Ca 0.04 0.34 -0.12 0.00 -0.60 0.00 0.00 54.58 54.24 3i12 n ASN 314 Cb 0.50 -0.82 -0.11 0.00 -0.53 0.00 0.00 39.78 38.82 3i12 n ASN 314 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3i12 s GLU 315 N -2.53 0.39 -0.17 1.20 2.02 -1.08 -5.02 118.70 113.52 3i12 s GLU 315 Ca -0.38 -0.00 0.01 0.00 0.02 0.00 0.00 54.97 54.62 3i12 s GLU 315 Cb 0.14 0.18 0.02 0.00 0.10 0.00 0.00 34.13 34.57 3i12 s GLU 315 CO 0.49 -0.08 -0.17 0.42 0.02 0.00 0.00 175.26 175.94 3i12 s ILE 316 N -0.59 1.83 -0.30 -1.63 -1.09 -1.26 -1.68 121.20 116.47 3i12 s ILE 316 Ca -0.07 -0.80 -0.08 0.00 -2.23 0.00 0.00 60.65 57.47 3i12 s ILE 316 Cb -0.04 -1.68 -0.00 0.00 -1.58 0.00 0.00 42.46 39.16 3i12 s ILE 316 CO 0.01 0.49 0.12 0.20 -1.23 0.00 0.00 174.94 174.53 3i12 s ASN 317 N 1.38 5.34 0.21 3.58 0.01 -0.27 -4.71 114.94 120.48 3i12 s ASN 317 Ca 0.05 -0.59 0.21 0.00 -0.71 0.00 0.00 52.86 51.81 3i12 s ASN 317 Cb -0.13 -1.94 0.03 0.00 0.41 0.00 0.00 41.25 39.61 3i12 s ASN 317 CO -0.12 -0.19 1.11 0.71 -1.51 0.00 0.00 177.10 177.10 3i12 h THR 318 N 5.75 0.16 -2.47 1.60 1.35 -1.87 -1.08 112.91 116.35 3i12 h THR 318 Ca -0.32 -1.29 -0.60 0.00 -0.55 0.00 0.00 66.41 63.65 3i12 h THR 318 Cb 1.14 1.75 -0.41 0.00 -1.73 0.00 0.00 68.15 68.90 3i12 h THR 318 CO 0.61 0.09 -0.74 0.18 -0.25 0.00 0.00 175.52 175.41 3i12 n LEU 319 N -2.82 2.20 -4.77 3.87 4.32 -1.26 -4.64 117.00 113.90 3i12 n LEU 319 Ca -0.01 -5.06 -0.33 0.00 -0.02 0.00 0.00 56.01 50.59 3i12 n LEU 319 Cb 0.62 -0.27 0.06 0.00 -1.62 0.00 0.00 43.42 42.21 3i12 n LEU 319 CO 0.40 1.93 0.74 -2.16 -1.22 0.00 0.00 177.39 177.08 3i12 s PRO 320 N -1.51 2.69 0.11 3.23 0.04 -1.26 -4.77 135.00 133.53 3i12 s PRO 320 Ca 0.33 1.38 -0.35 0.00 0.04 0.00 0.00 61.00 62.40 3i12 s PRO 320 Cb 0.07 -1.94 -0.17 0.00 0.04 0.00 0.00 34.50 32.50 3i12 s PRO 320 CO -0.11 -1.34 1.02 0.41 0.04 0.00 0.00 177.00 177.02 3i12 n GLY 321 N -0.57 -0.39 1.41 0.56 0.00 -1.26 -4.88 105.19 100.06 3i12 n GLY 321 Ca 0.10 0.59 0.03 0.00 0.00 0.00 0.00 46.02 46.74 3i12 n GLY 321 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i12 n PHE 322 N 1.28 0.24 -1.75 1.61 7.35 -1.26 -4.29 117.46 120.64 3i12 n PHE 322 Ca 0.18 -1.00 -0.31 0.00 -0.76 0.00 0.00 57.45 55.55 3i12 n PHE 322 Cb 0.19 -0.19 0.03 0.00 0.35 0.00 0.00 39.48 39.85 3i12 n PHE 322 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3i12 s THR 323 N -1.45 4.12 -1.11 -2.13 -4.23 -1.26 -4.63 115.64 104.95 3i12 s THR 323 Ca 0.35 0.76 0.10 0.00 -1.18 0.00 0.00 61.69 61.72 3i12 s THR 323 Cb 0.38 -3.49 0.11 0.00 1.34 0.00 0.00 72.50 70.84 3i12 s THR 323 CO -0.12 -0.83 1.28 -0.46 -0.54 0.00 0.00 174.62 173.96 3i12 n ASN 324 N -2.77 0.00 0.00 3.99 6.94 -1.26 0.05 115.26 122.21 3i12 n ASN 324 Ca 0.07 0.40 0.11 0.00 -0.02 0.00 0.00 54.58 55.15 3i12 n ASN 324 Cb 0.53 -0.44 0.01 0.00 -2.36 0.00 0.00 39.78 37.52 3i12 n ASN 324 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3i12 n ILE 325 N -1.44 0.01 -1.41 1.53 5.41 -1.26 -4.63 119.36 117.58 3i12 n ILE 325 Ca 0.03 -0.03 -0.29 0.00 1.00 0.00 0.00 62.75 63.46 3i12 n ILE 325 Cb 0.10 0.68 0.13 0.00 -0.71 0.00 0.00 39.64 39.84 3i12 n ILE 325 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3i12 s SER 326 N -3.10 3.59 0.11 4.38 0.01 0.11 -4.83 113.70 113.96 3i12 s SER 326 Ca 0.08 1.19 -0.20 0.00 1.31 0.00 0.00 55.95 58.34 3i12 s SER 326 Cb 0.16 -1.85 -0.08 0.00 0.21 0.00 0.00 66.02 64.47 3i12 s SER 326 CO 0.81 -2.53 1.72 -0.03 0.41 0.00 0.00 173.24 173.62 3i12 h MET 327 N -1.48 0.28 0.13 12.44 4.05 -1.87 -2.33 114.93 126.16 3i12 h MET 327 Ca -0.50 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 58.90 3i12 h MET 327 Cb 1.31 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 32.03 3i12 h MET 327 CO 0.59 0.25 -0.19 -0.92 0.23 0.00 0.00 176.91 176.87 3i12 h TYR 328 N 0.23 -0.50 -0.36 1.39 3.20 -1.93 -0.18 116.97 118.82 3i12 h TYR 328 Ca 0.07 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 3i12 h TYR 328 Cb 0.05 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3i12 h TYR 328 CO -0.04 -0.28 -0.11 -1.35 -1.64 0.00 0.00 178.16 174.74 3i12 h PRO 329 N -0.38 0.62 -0.45 1.82 0.11 -1.83 -2.58 132.00 129.31 3i12 h PRO 329 Ca 0.02 -0.19 -0.04 0.00 0.11 0.00 0.00 66.00 65.90 3i12 h PRO 329 Cb 0.39 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 3i12 h PRO 329 CO -0.09 0.72 0.11 0.87 -0.21 0.00 0.00 178.00 179.41 3i12 h LYS 330 N 0.57 0.67 -0.42 1.05 1.79 -0.98 -0.72 116.57 118.53 3i12 h LYS 330 Ca 0.10 -0.12 -0.13 0.00 -2.18 0.00 0.00 60.65 58.33 3i12 h LYS 330 Cb 0.53 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 3i12 h LYS 330 CO 0.03 0.61 -0.24 -0.07 -1.08 0.00 0.00 179.45 178.70 3i12 h LEU 331 N 0.66 0.88 -0.49 2.94 3.38 -0.66 -0.79 115.31 121.23 3i12 h LEU 331 Ca 0.15 -0.33 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 3i12 h LEU 331 Cb 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3i12 h LEU 331 CO -0.00 1.08 -0.34 -0.50 0.09 0.00 0.00 178.44 178.77 3i12 h TRP 332 N 0.74 1.03 -0.83 1.13 4.06 -1.17 -2.49 115.95 118.43 3i12 h TRP 332 Ca 0.10 -0.29 -0.04 0.00 2.06 0.00 0.00 58.89 60.72 3i12 h TRP 332 Cb 0.78 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.68 3i12 h TRP 332 CO 0.04 1.08 0.37 1.96 -3.56 0.00 0.00 178.44 178.33 3i12 h GLN 333 N 0.72 1.21 0.00 0.49 4.20 -0.53 0.13 115.11 121.34 3i12 h GLN 333 Ca 0.07 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3i12 h GLN 333 Cb 0.91 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3i12 h GLN 333 CO 0.08 0.95 0.00 0.00 -0.67 0.00 0.00 178.83 179.20 3i12 n ALA 334 N -2.43 1.81 -0.05 3.87 0.00 -0.32 -1.95 120.51 121.44 3i12 n ALA 334 Ca 0.08 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.52 3i12 n ALA 334 Cb 0.16 -1.28 0.16 0.00 0.00 0.00 0.00 19.45 18.49 3i12 n ALA 334 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i12 n SER 335 N -1.47 2.92 0.00 0.00 7.64 0.13 -4.92 113.62 117.92 3i12 n SER 335 Ca 0.05 -1.91 0.00 0.00 1.01 0.00 0.00 58.87 58.02 3i12 n SER 335 Cb 0.19 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 3i12 n SER 335 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i12 n GLY 336 N 0.75 1.04 3.11 0.23 0.00 -0.66 -5.01 105.19 104.65 3i12 n GLY 336 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3i12 n GLY 336 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i12 s LEU 337 N 0.00 3.07 0.78 0.99 2.96 0.23 -4.98 118.68 121.73 3i12 s LEU 337 Ca 0.00 -1.10 -0.11 0.00 -0.22 0.00 0.00 54.13 52.70 3i12 s LEU 337 Cb 0.00 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.19 3i12 s LEU 337 CO 0.00 -0.13 1.09 -0.83 -1.32 0.00 0.00 176.35 175.16 3i12 s GLY 338 N 1.20 1.63 0.05 7.98 0.00 -1.26 -2.03 107.32 114.89 3i12 s GLY 338 Ca -0.03 -0.12 -0.22 0.00 0.00 0.00 0.00 44.72 44.34 3i12 s GLY 338 CO -0.07 0.28 1.48 -1.82 0.00 0.00 0.00 173.10 172.98 3i12 h TYR 339 N -1.05 0.19 -0.37 1.90 3.20 -1.97 0.19 116.97 119.07 3i12 h TYR 339 Ca -0.46 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.44 3i12 h TYR 339 Cb 1.26 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.42 3i12 h TYR 339 CO 0.50 0.42 0.02 1.15 -1.64 0.00 0.00 178.16 178.60 3i12 h THR 340 N -0.09 0.75 -0.03 1.81 2.02 -1.94 -1.56 112.91 113.87 3i12 h THR 340 Ca 0.03 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 3i12 h THR 340 Cb 0.34 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3i12 h THR 340 CO 0.00 0.02 -0.45 0.44 0.37 0.00 0.00 175.52 175.90 3i12 h ASP 341 N 0.13 0.07 -0.67 4.18 3.32 -1.84 -1.48 116.42 120.13 3i12 h ASP 341 Ca 0.18 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 3i12 h ASP 341 Cb 0.24 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3i12 h ASP 341 CO -0.28 0.52 0.25 0.25 -1.72 0.00 0.00 179.24 178.25 3i12 h LEU 342 N 0.06 0.94 -0.41 1.55 5.85 0.09 -1.39 115.31 122.01 3i12 h LEU 342 Ca 0.00 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3i12 h LEU 342 Cb 0.83 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3i12 h LEU 342 CO 0.06 0.87 0.17 0.40 -0.34 0.00 0.00 178.44 179.61 3i12 h ILE 343 N 0.96 1.19 -0.44 4.05 2.04 -0.57 -0.38 117.51 124.36 3i12 h ILE 343 Ca 0.22 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3i12 h ILE 343 Cb 0.24 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3i12 h ILE 343 CO -0.01 0.21 0.18 0.28 0.00 0.00 0.00 178.15 178.80 3i12 h SER 344 N 0.51 0.61 -0.85 1.72 0.02 -1.22 -2.22 113.55 112.11 3i12 h SER 344 Ca 0.14 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3i12 h SER 344 Cb 0.17 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 3i12 h SER 344 CO -0.01 0.61 0.49 -0.09 -1.14 0.00 0.00 176.83 176.69 3i12 h ARG 345 N 0.57 1.18 -0.82 3.45 9.65 -0.71 -1.58 114.38 126.11 3i12 h ARG 345 Ca 0.15 -0.12 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 3i12 h ARG 345 Cb 0.19 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 28.49 3i12 h ARG 345 CO -0.01 0.84 0.39 -0.07 2.80 0.00 0.00 179.97 183.92 3i12 h LEU 346 N 1.19 1.08 -0.47 3.80 3.38 -0.88 -0.75 115.31 122.66 3i12 h LEU 346 Ca 0.30 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3i12 h LEU 346 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3i12 h LEU 346 CO -0.05 0.91 0.17 0.40 0.09 0.00 0.00 178.44 179.96 3i12 h ILE 347 N 1.17 1.22 0.00 1.22 2.04 -1.16 -1.44 117.51 120.55 3i12 h ILE 347 Ca 0.28 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 3i12 h ILE 347 Cb 0.13 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3i12 h ILE 347 CO -0.03 0.25 -0.36 1.05 0.00 0.00 0.00 178.15 179.06 3i12 h GLU 348 N 0.62 0.00 -0.38 2.37 4.11 -0.91 -2.09 114.58 118.31 3i12 h GLU 348 Ca 0.15 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.51 3i12 h GLU 348 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3i12 h GLU 348 CO -0.01 0.36 -0.08 -0.07 0.07 0.00 0.00 179.01 179.28 3i12 h LEU 349 N 0.00 0.72 -0.62 3.06 3.38 -0.93 0.16 115.31 121.07 3i12 h LEU 349 Ca -0.00 -0.36 0.13 0.00 0.09 0.00 0.00 57.88 57.74 3i12 h LEU 349 Cb 1.00 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.46 3i12 h LEU 349 CO 0.05 0.91 0.09 0.00 0.09 0.00 0.00 178.44 179.57 3i12 h ALA 350 N 0.84 0.71 -0.18 1.53 0.00 -0.84 0.04 119.26 121.36 3i12 h ALA 350 Ca 0.10 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3i12 h ALA 350 Cb 0.58 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i12 h ALA 350 CO 0.03 -0.34 -0.23 -0.07 0.00 0.00 0.00 179.25 178.64 3i12 h LEU 351 N 0.21 0.51 -0.58 0.00 3.38 -1.10 -1.04 115.31 116.69 3i12 h LEU 351 Ca 0.33 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3i12 h LEU 351 Cb 0.52 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3i12 h LEU 351 CO -0.46 0.91 0.35 -0.33 0.09 0.00 0.00 178.44 179.01 3i12 h GLU 352 N 0.13 0.68 -0.39 1.13 5.08 -0.77 -1.20 114.58 119.24 3i12 h GLU 352 Ca 0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3i12 h GLU 352 Cb 0.79 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3i12 h GLU 352 CO 0.05 0.45 0.16 -0.09 -1.00 0.00 0.00 179.01 178.58 3i12 h ARG 353 N 0.70 0.58 -0.70 2.33 2.43 -0.93 -0.71 114.38 118.08 3i12 h ARG 353 Ca 0.23 -0.10 0.07 0.00 -0.81 0.00 0.00 59.98 59.37 3i12 h ARG 353 Cb 0.02 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.41 3i12 h ARG 353 CO -0.10 0.54 0.38 1.25 -1.51 0.00 0.00 179.97 180.54 3i12 h HIS 354 N 0.48 0.70 -0.33 2.20 2.76 -0.95 -0.33 115.15 119.68 3i12 h HIS 354 Ca 0.13 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.28 3i12 h HIS 354 Cb 0.17 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 3i12 h HIS 354 CO -0.00 0.32 0.03 1.15 -1.30 0.00 0.00 177.93 178.12 3i12 h THR 355 N 0.69 1.25 -0.37 6.26 2.02 -0.99 -0.94 112.91 120.83 3i12 h THR 355 Ca 0.32 -0.89 0.03 0.00 0.77 0.00 0.00 66.41 66.64 3i12 h THR 355 Cb 0.24 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3i12 h THR 355 CO -0.20 0.29 0.25 0.00 0.37 0.00 0.00 175.52 176.23 3i12 h ALA 356 N 0.87 1.86 -0.04 6.16 0.00 -0.77 -2.29 119.26 125.05 3i12 h ALA 356 Ca 0.10 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 3i12 h ALA 356 Cb 0.40 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3i12 h ALA 356 CO 0.01 0.10 -0.94 -0.91 0.00 0.00 0.00 179.25 177.51 3i12 h ASN 357 N 0.39 0.81 0.39 0.00 2.35 -0.40 -2.97 115.58 116.14 3i12 h ASN 357 Ca 0.15 -0.61 -0.01 0.00 -0.55 0.00 0.00 56.30 55.27 3i12 h ASN 357 Cb 0.11 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 3i12 h ASN 357 CO -0.03 1.41 -0.06 0.78 -1.65 0.00 0.00 177.43 177.88 3i12 h ASN 358 N 0.39 0.00 1.19 5.81 2.35 -0.77 -2.38 115.58 122.16 3i12 h ASN 358 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3i12 h ASN 358 Cb 1.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.95 3i12 h ASN 358 CO 0.18 0.06 0.00 0.00 -1.65 0.00 0.00 177.43 176.02 3i12 n ALA 359 N -2.19 2.13 -1.77 -0.83 0.00 -0.90 -4.77 120.51 112.18 3i12 n ALA 359 Ca -0.02 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.01 3i12 n ALA 359 Cb 0.20 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 3i12 n ALA 359 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i12 s LEU 360 N -4.16 4.33 0.36 0.00 1.43 -0.90 -4.97 118.68 114.77 3i12 s LEU 360 Ca 0.10 2.60 -0.20 0.00 -1.03 0.00 0.00 54.13 55.59 3i12 s LEU 360 Cb 0.13 -3.79 -0.10 0.00 0.03 0.00 0.00 46.19 42.46 3i12 s LEU 360 CO 0.52 -0.63 0.87 -0.54 0.23 0.00 0.00 176.35 176.80 3i12 s LYS 361 N -1.99 4.24 -0.11 1.70 1.02 -1.26 -4.99 119.74 118.35 3i12 s LYS 361 Ca 0.52 1.02 0.20 0.00 0.02 0.00 0.00 55.97 57.73 3i12 s LYS 361 Cb -0.37 -2.44 -0.28 0.00 -0.52 0.00 0.00 37.83 34.22 3i12 s LYS 361 CO 0.49 0.12 0.30 -2.37 -0.92 0.00 0.00 175.35 172.96 3i12 n THR 362 N -0.19 0.80 -1.57 2.17 5.66 -1.26 -5.20 114.28 114.69 3i12 n THR 362 Ca 0.04 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.34 3i12 n THR 362 Cb 0.53 -0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 3i12 n THR 362 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37