#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihu h ALA 16 N 0.00 1.77 -0.76 7.33 0.00 -2.01 -1.93 119.26 123.66 3ihu h ALA 16 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ihu h ALA 16 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3ihu h ALA 16 CO 0.00 0.10 0.30 1.03 0.00 0.00 0.00 179.25 180.68 3ihu h SER 17 N 0.69 1.05 -0.66 0.00 0.87 -1.97 -2.66 113.55 110.87 3ihu h SER 17 Ca 0.32 -0.18 0.06 0.00 -1.23 0.00 0.00 61.79 60.77 3ihu h SER 17 Cb 0.35 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 3ihu h SER 17 CO -0.11 0.94 0.44 0.44 -0.53 0.00 0.00 176.83 178.01 3ihu h ASP 18 N 1.10 0.59 0.01 6.23 3.32 -1.70 -0.83 116.42 125.14 3ihu h ASP 18 Ca 0.25 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 3ihu h ASP 18 Cb 0.22 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3ihu h ASP 18 CO -0.02 0.39 -0.33 0.71 -1.72 0.00 0.00 179.24 178.27 3ihu h THR 19 N 0.67 1.29 -0.02 0.35 1.35 -1.39 0.17 112.91 115.33 3ihu h THR 19 Ca 0.28 -1.41 -0.19 0.00 -0.55 0.00 0.00 66.41 64.54 3ihu h THR 19 Cb 0.26 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 68.17 3ihu h THR 19 CO -0.09 0.44 -0.74 0.58 -0.25 0.00 0.00 175.52 175.46 3ihu h VAL 20 N 0.39 1.36 0.21 6.82 2.07 -1.53 -1.28 116.25 124.29 3ihu h VAL 20 Ca 0.05 -2.09 -0.01 0.00 0.82 0.00 0.00 66.70 65.47 3ihu h VAL 20 Cb 0.77 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 3ihu h VAL 20 CO 0.06 0.63 -0.12 0.15 0.02 0.00 0.00 177.57 178.31 3ihu h PHE 21 N 0.12 -0.31 0.01 1.57 3.57 -0.84 -1.33 116.94 119.73 3ihu h PHE 21 Ca -0.09 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.21 3ihu h PHE 21 Cb 1.42 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 3ihu h PHE 21 CO 0.13 -0.19 -0.88 0.74 -2.23 0.00 0.00 178.31 175.88 3ihu h PHE 22 N -0.31 0.24 -0.98 0.41 0.04 -0.82 -3.23 116.94 112.30 3ihu h PHE 22 Ca -0.02 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.63 3ihu h PHE 22 Cb 0.25 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.33 3ihu h PHE 22 CO -0.08 0.96 0.65 0.78 -0.60 0.00 0.00 178.31 180.02 3ihu h GLY 23 N 1.98 1.40 -1.77 -1.45 0.00 -1.14 0.26 103.07 102.34 3ihu h GLY 23 Ca -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3ihu h GLY 23 CO 0.13 0.48 0.00 1.39 0.00 0.00 0.00 176.54 178.54 3ihu n ILE 24 N -4.40 0.64 0.00 2.60 5.41 -0.51 -0.81 119.36 122.29 3ihu n ILE 24 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.87 3ihu n ILE 24 Cb 0.04 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 3ihu n ILE 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3ihu n SER 26 N 0.47 0.00 -0.15 4.38 3.41 0.92 -1.40 113.62 121.26 3ihu n SER 26 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 3ihu n SER 26 Cb 0.37 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.71 3ihu n SER 26 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ihu h GLY 27 N 0.00 0.85 0.98 5.00 0.00 -1.19 0.30 103.07 109.00 3ihu h GLY 27 Ca 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3ihu h GLY 27 CO 0.00 0.20 0.16 1.41 0.00 0.00 0.00 176.54 178.30 3ihu h LEU 28 N 0.67 0.75 -0.55 3.11 3.38 -1.37 0.57 115.31 121.87 3ihu h LEU 28 Ca 0.29 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 3ihu h LEU 28 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ihu h LEU 28 CO -0.09 0.76 -0.19 -0.08 0.09 0.00 0.00 178.44 178.93 3ihu h GLU 29 N 0.70 0.97 0.00 1.13 4.81 -1.63 -3.03 114.58 117.52 3ihu h GLU 29 Ca 0.16 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3ihu h GLU 29 Cb 0.28 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3ihu h GLU 29 CO -0.00 1.07 0.00 -0.07 -0.73 0.00 0.00 179.01 179.27 3ihu h LEU 30 N 0.84 0.00 0.00 1.64 3.38 -0.10 -3.48 115.31 117.60 3ihu h LEU 30 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ihu h LEU 30 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3ihu h LEU 30 CO 0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.20 3ihu n GLY 31 N 1.14 0.77 0.10 0.83 0.00 0.18 -4.95 105.19 103.26 3ihu n GLY 31 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3ihu n GLY 31 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ihu h THR 32 N 0.00 0.00 -3.83 2.61 1.35 -1.21 -3.44 112.91 108.38 3ihu h THR 32 Ca 0.00 -0.66 -0.54 0.00 -0.55 0.00 0.00 66.41 64.66 3ihu h THR 32 Cb 0.00 1.34 -0.21 0.00 -1.73 0.00 0.00 68.15 67.55 3ihu h THR 32 CO 0.00 0.00 -0.81 -0.36 -0.25 0.00 0.00 175.52 174.10 3ihu s PHE 33 N -3.20 1.74 0.09 4.73 0.40 -1.07 -4.96 117.98 115.70 3ihu s PHE 33 Ca 0.06 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 56.00 3ihu s PHE 33 Cb 0.11 -0.94 -0.03 0.00 0.51 0.00 0.00 43.02 42.67 3ihu s PHE 33 CO 0.71 0.21 -0.13 0.14 0.70 0.00 0.00 175.22 176.85 3ihu s VAL 34 N -1.32 1.10 0.22 -0.44 -7.23 -1.26 -4.02 120.40 107.45 3ihu s VAL 34 Ca 0.07 -1.53 -0.31 0.00 -1.81 0.00 0.00 61.98 58.40 3ihu s VAL 34 Cb -0.09 -1.28 -0.14 0.00 0.56 0.00 0.00 36.38 35.43 3ihu s VAL 34 CO 0.04 -0.40 1.31 -2.65 -0.31 0.00 0.00 175.10 173.10 3ihu n PRO 35 N 0.83 1.75 -0.23 4.82 -0.02 -1.26 -1.50 135.00 139.39 3ihu n PRO 35 Ca -0.18 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3ihu n PRO 35 Cb 0.56 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3ihu n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ihu n GLY 36 N 2.03 1.10 3.75 -1.23 0.00 -0.27 -4.93 105.19 105.64 3ihu n GLY 36 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3ihu n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ihu s GLN 37 N -0.53 4.58 -0.23 1.61 0.74 -0.56 -4.67 119.66 120.60 3ihu s GLN 37 Ca 0.00 1.81 -0.26 0.00 0.05 0.00 0.00 55.36 56.96 3ihu s GLN 37 Cb 0.00 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.89 3ihu s GLN 37 CO 0.00 0.09 0.91 1.03 -0.55 0.00 0.00 175.29 176.77 3ihu s ARG 38 N -0.87 4.22 -0.18 1.67 1.81 -1.26 -0.27 118.95 124.08 3ihu s ARG 38 Ca 0.48 1.12 -0.08 0.00 -1.72 0.00 0.00 55.73 55.53 3ihu s ARG 38 Cb -0.32 -3.64 -0.04 0.00 -0.45 0.00 0.00 34.95 30.50 3ihu s ARG 38 CO 0.39 -0.55 0.08 -0.51 -0.68 0.00 0.00 175.30 174.03 3ihu s LEU 39 N 2.93 3.97 -0.19 2.53 1.43 0.77 -4.99 118.68 125.12 3ihu s LEU 39 Ca 0.39 0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.60 3ihu s LEU 39 Cb -0.15 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 3ihu s LEU 39 CO 0.07 0.21 0.01 -0.69 0.23 0.00 0.00 176.35 176.18 3ihu s VAL 40 N 0.16 4.11 0.23 -1.59 1.01 -1.26 -2.21 120.40 120.85 3ihu s VAL 40 Ca 0.06 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 3ihu s VAL 40 Cb -0.12 -2.85 0.28 0.00 0.00 0.00 0.00 36.38 33.69 3ihu s VAL 40 CO -0.00 0.44 1.59 -0.08 0.00 0.00 0.00 175.10 177.04 3ihu h GLU 41 N 7.28 -0.03 -0.14 2.72 4.81 -1.89 -0.78 114.58 126.55 3ihu h GLU 41 Ca -0.35 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.80 3ihu h GLU 41 Cb 1.18 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 3ihu h GLU 41 CO 0.62 -0.02 -0.29 1.79 -0.73 0.00 0.00 179.01 180.38 3ihu h THR 42 N -0.04 1.26 -0.63 0.32 1.35 -1.95 -0.55 112.91 112.67 3ihu h THR 42 Ca 0.35 -1.22 -0.06 0.00 -0.55 0.00 0.00 66.41 64.93 3ihu h THR 42 Cb 0.59 1.47 -0.03 0.00 -1.73 0.00 0.00 68.15 68.45 3ihu h THR 42 CO -0.82 0.37 0.15 0.44 -0.25 0.00 0.00 175.52 175.41 3ihu h ASP 43 N 0.23 0.95 -0.29 5.36 3.32 -1.61 -2.33 116.42 122.05 3ihu h ASP 43 Ca 0.03 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.72 3ihu h ASP 43 Cb 0.63 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3ihu h ASP 43 CO 0.05 0.94 -0.31 -0.07 -1.72 0.00 0.00 179.24 178.12 3ihu h LEU 44 N 0.92 0.84 -0.29 1.55 3.38 -0.58 0.65 115.31 121.77 3ihu h LEU 44 Ca 0.20 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3ihu h LEU 44 Cb 0.36 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3ihu h LEU 44 CO 0.00 1.08 0.03 0.58 0.09 0.00 0.00 178.44 180.22 3ihu h VAL 45 N 0.68 0.83 -0.26 1.22 2.07 -1.05 -0.53 116.25 119.21 3ihu h VAL 45 Ca 0.08 -0.04 -0.17 0.00 0.82 0.00 0.00 66.70 67.38 3ihu h VAL 45 Cb 0.85 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3ihu h VAL 45 CO 0.07 0.02 -0.52 0.00 0.02 0.00 0.00 177.57 177.17 3ihu h ALA 46 N 1.23 0.41 -0.21 1.67 0.00 -1.25 -0.50 119.26 120.61 3ihu h ALA 46 Ca 0.14 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3ihu h ALA 46 Cb 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ihu h ALA 46 CO -0.20 0.60 -0.05 1.25 0.00 0.00 0.00 179.25 180.85 3ihu h HIS 47 N 0.56 0.45 -0.00 0.00 6.17 -0.76 -3.21 115.15 118.37 3ihu h HIS 47 Ca 0.01 -0.10 0.00 0.00 0.71 0.00 0.00 60.37 60.99 3ihu h HIS 47 Cb 1.13 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.95 3ihu h HIS 47 CO 0.08 0.65 -0.45 1.19 0.71 0.00 0.00 177.93 180.11 3ihu n PHE 48 N -4.61 0.00 -2.61 5.26 3.72 -0.22 -4.95 117.46 114.05 3ihu n PHE 48 Ca -0.05 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.18 3ihu n PHE 48 Cb 0.28 -0.19 0.01 0.00 -0.94 0.00 0.00 39.48 38.64 3ihu n PHE 48 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ihu n GLY 49 N 1.45 -0.31 3.61 1.37 0.00 -0.21 -5.01 105.19 106.09 3ihu n GLY 49 Ca 0.08 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 3ihu n GLY 49 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ihu s VAL 50 N -2.95 1.59 0.63 1.61 -7.23 -1.12 -5.04 120.40 107.89 3ihu s VAL 50 Ca 0.13 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.26 3ihu s VAL 50 Cb -0.06 -2.75 0.04 0.00 0.56 0.00 0.00 36.38 34.17 3ihu s VAL 50 CO 0.16 0.00 0.91 -0.83 -0.31 0.00 0.00 175.10 175.03 3ihu s GLY 51 N -3.70 1.70 0.17 2.32 0.00 -1.26 -4.48 107.32 102.07 3ihu s GLY 51 Ca 0.29 -0.99 -0.19 0.00 0.00 0.00 0.00 44.72 43.83 3ihu s GLY 51 CO 0.14 -0.65 1.62 3.21 0.00 0.00 0.00 173.10 177.43 3ihu h ARG 52 N -0.29 -0.14 -0.72 2.90 3.08 -1.97 -1.92 114.38 115.32 3ihu h ARG 52 Ca -0.44 0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.72 3ihu h ARG 52 Cb 1.30 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.30 3ihu h ARG 52 CO 0.58 -0.09 0.35 -0.91 -1.07 0.00 0.00 179.97 178.84 3ihu h ASN 53 N -0.14 0.45 -0.66 7.04 2.35 -1.99 -0.23 115.58 122.40 3ihu h ASN 53 Ca 0.21 0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.94 3ihu h ASN 53 Cb 0.46 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 3ihu h ASN 53 CO -0.52 0.25 0.09 0.28 -1.65 0.00 0.00 177.43 175.88 3ihu h SER 54 N 0.59 1.06 0.06 5.81 0.02 -1.81 -0.68 113.55 118.59 3ihu h SER 54 Ca 0.36 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3ihu h SER 54 Cb 0.40 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3ihu h SER 54 CO -0.28 1.06 -0.06 0.58 -1.14 0.00 0.00 176.83 176.99 3ihu h VAL 55 N 1.02 0.86 -0.51 2.27 2.07 -0.58 0.11 116.25 121.50 3ihu h VAL 55 Ca 0.20 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.78 3ihu h VAL 55 Cb 0.46 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3ihu h VAL 55 CO 0.02 0.00 0.19 0.03 0.02 0.00 0.00 177.57 177.83 3ihu h ARG 56 N -0.13 0.37 -0.46 1.57 3.08 -0.83 0.18 114.38 118.16 3ihu h ARG 56 Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3ihu h ARG 56 Cb 0.13 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3ihu h ARG 56 CO -0.02 0.24 0.17 1.49 -1.07 0.00 0.00 179.97 180.78 3ihu h GLU 57 N 0.38 0.70 -0.61 0.04 4.81 -0.96 -0.31 114.58 118.62 3ihu h GLU 57 Ca 0.24 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3ihu h GLU 57 Cb 0.25 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3ihu h GLU 57 CO -0.24 0.65 0.30 0.00 -0.73 0.00 0.00 179.01 178.99 3ihu h ALA 58 N 1.01 0.79 -0.64 2.92 0.00 -0.31 -1.37 119.26 121.67 3ihu h ALA 58 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ihu h ALA 58 Cb 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3ihu h ALA 58 CO -0.01 0.35 0.28 -0.07 0.00 0.00 0.00 179.25 179.80 3ihu h LEU 59 N 0.84 0.86 -0.47 0.00 3.38 -0.43 0.13 115.31 119.62 3ihu h LEU 59 Ca 0.21 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3ihu h LEU 59 Cb 0.11 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3ihu h LEU 59 CO -0.03 0.77 0.19 1.56 0.09 0.00 0.00 178.44 181.02 3ihu h GLN 60 N 0.89 0.37 -0.59 1.13 4.20 -0.78 0.38 115.11 120.71 3ihu h GLN 60 Ca 0.22 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 3ihu h GLN 60 Cb 0.16 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3ihu h GLN 60 CO -0.02 0.24 0.02 0.00 -0.67 0.00 0.00 178.83 178.40 3ihu h ARG 61 N 0.38 1.00 -0.63 1.46 3.08 -0.77 -0.08 114.38 118.81 3ihu h ARG 61 Ca 0.22 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 3ihu h ARG 61 Cb 0.20 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3ihu h ARG 61 CO -0.21 0.97 0.04 -0.07 -1.07 0.00 0.00 179.97 179.63 3ihu h LEU 62 N 0.92 1.06 -0.53 3.04 3.38 -0.52 -1.55 115.31 121.11 3ihu h LEU 62 Ca 0.17 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3ihu h LEU 62 Cb 0.51 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3ihu h LEU 62 CO 0.02 1.08 0.31 0.00 0.09 0.00 0.00 178.44 179.95 3ihu h ALA 63 N 1.03 0.68 -0.98 1.53 0.00 -0.71 -0.37 119.26 120.44 3ihu h ALA 63 Ca 0.18 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.16 3ihu h ALA 63 Cb 0.52 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3ihu h ALA 63 CO 0.02 0.17 0.62 0.00 0.00 0.00 0.00 179.25 180.06 3ihu h ALA 64 N 1.15 1.63 -0.03 0.00 0.00 -0.46 -1.51 119.26 120.05 3ihu h ALA 64 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ihu h ALA 64 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ihu h ALA 64 CO -0.03 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.71 3ihu n GLU 65 N -4.62 1.45 -0.85 0.00 -0.58 -0.63 -4.93 120.64 110.46 3ihu n GLU 65 Ca 0.19 -0.65 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 3ihu n GLU 65 Cb 0.42 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 3ihu n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ihu n GLY 66 N 1.10 0.52 0.14 0.62 0.00 -0.57 -4.96 105.19 102.04 3ihu n GLY 66 Ca 0.20 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 3ihu n GLY 66 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ihu h ILE 67 N 0.00 0.69 -3.17 -0.61 1.08 -1.30 -3.45 117.51 110.76 3ihu h ILE 67 Ca 0.00 -2.38 -0.48 0.00 -0.39 0.00 0.00 64.86 61.62 3ihu h ILE 67 Cb 0.00 2.56 -0.16 0.00 -3.07 0.00 0.00 36.82 36.15 3ihu h ILE 67 CO 0.00 0.89 -0.76 0.68 -0.69 0.00 0.00 178.15 178.27 3ihu s VAL 68 N -2.56 1.72 -0.23 1.67 -7.23 -1.20 -0.50 120.40 112.06 3ihu s VAL 68 Ca -0.21 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 57.88 3ihu s VAL 68 Cb 0.06 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 3ihu s VAL 68 CO 0.79 -0.44 0.07 -1.81 -0.31 0.00 0.00 175.10 173.39 3ihu s ASP 69 N -2.90 5.27 0.45 4.85 1.01 -0.16 -4.10 116.67 121.10 3ihu s ASP 69 Ca 0.17 -0.13 -0.25 0.00 0.71 0.00 0.00 52.55 53.06 3ihu s ASP 69 Cb -0.04 -1.93 -0.08 0.00 1.01 0.00 0.00 42.92 41.88 3ihu s ASP 69 CO 0.06 0.03 1.41 -0.76 0.21 0.00 0.00 175.17 176.12 3ihu s LEU 70 N 1.25 4.10 0.00 1.23 1.43 -1.26 -0.99 118.68 124.44 3ihu s LEU 70 Ca 0.05 2.89 0.01 0.00 -1.03 0.00 0.00 54.13 56.04 3ihu s LEU 70 Cb -0.15 -3.96 -0.00 0.00 0.03 0.00 0.00 46.19 42.11 3ihu s LEU 70 CO 0.03 -1.18 0.03 0.00 0.23 0.00 0.00 176.35 175.47 3ihu n GLN 71 N -0.23 0.93 -1.58 1.70 1.13 -0.47 -4.88 117.38 113.97 3ihu n GLN 71 Ca 0.05 -2.83 -0.30 0.00 -1.94 0.00 0.00 57.00 51.98 3ihu n GLN 71 Cb 0.42 0.98 0.08 0.00 0.11 0.00 0.00 30.24 31.84 3ihu n GLN 71 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3ihu s ARG 72 N -3.36 2.26 -1.50 -1.09 1.70 -1.26 -3.88 118.95 111.81 3ihu s ARG 72 Ca 0.05 0.66 -0.02 0.00 -0.47 0.00 0.00 55.73 55.96 3ihu s ARG 72 Cb 0.00 -1.94 0.00 0.00 -0.57 0.00 0.00 34.95 32.45 3ihu s ARG 72 CO 0.03 -1.51 0.23 0.72 -1.08 0.00 0.00 175.30 173.70 3ihu n HIS 73 N -3.36 -1.25 -1.36 5.89 8.25 -1.26 -2.89 115.22 119.25 3ihu n HIS 73 Ca 0.07 0.20 -0.08 0.00 -0.26 0.00 0.00 57.72 57.65 3ihu n HIS 73 Cb 0.56 -3.85 -0.03 0.00 1.12 0.00 0.00 29.99 27.80 3ihu n HIS 73 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ihu n ARG 74 N -3.15 -0.54 -2.48 -0.41 5.12 -1.26 -4.84 116.66 109.10 3ihu n ARG 74 Ca -0.17 0.70 -0.12 0.00 -1.93 0.00 0.00 57.85 56.33 3ihu n ARG 74 Cb 0.64 -4.54 0.01 0.00 -1.16 0.00 0.00 32.46 27.42 3ihu n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ihu n GLY 75 N -1.90 2.55 3.51 -0.13 0.00 -1.14 -4.02 105.19 104.06 3ihu n GLY 75 Ca -0.08 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.62 3ihu n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihu s ALA 76 N -2.40 -1.58 -0.05 4.61 0.00 -0.94 -1.37 121.76 120.03 3ihu s ALA 76 Ca 0.22 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.64 3ihu s ALA 76 Cb -0.02 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.92 3ihu s ALA 76 CO 0.14 -0.81 -0.12 0.08 0.00 0.00 0.00 175.76 175.05 3ihu s VAL 77 N -3.67 1.08 0.20 0.00 1.01 -0.16 -0.16 120.40 118.69 3ihu s VAL 77 Ca 0.04 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 3ihu s VAL 77 Cb -0.02 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 3ihu s VAL 77 CO -0.09 0.34 1.35 -0.63 0.00 0.00 0.00 175.10 176.07 3ihu s ILE 78 N 0.53 3.10 0.57 2.22 1.01 0.63 -0.99 121.20 128.27 3ihu s ILE 78 Ca -0.11 0.89 -0.18 0.00 0.00 0.00 0.00 60.65 61.24 3ihu s ILE 78 Cb -0.14 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 3ihu s ILE 78 CO 0.03 0.13 1.13 -0.13 0.00 0.00 0.00 174.94 176.10 3ihu s ARG 79 N 0.01 3.20 -0.00 2.79 0.52 0.34 -1.12 118.95 124.69 3ihu s ARG 79 Ca 0.58 1.60 0.05 0.00 -0.52 0.00 0.00 55.73 57.44 3ihu s ARG 79 Cb -0.38 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 33.08 3ihu s ARG 79 CO 0.38 -0.97 -0.16 1.03 0.02 0.00 0.00 175.30 175.60 3ihu s ARG 80 N -3.45 2.28 -0.05 3.54 0.52 -1.26 -3.96 118.95 116.59 3ihu s ARG 80 Ca 0.72 -0.84 -0.04 0.00 -0.52 0.00 0.00 55.73 55.05 3ihu s ARG 80 Cb -0.24 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.91 3ihu s ARG 80 CO 0.30 0.58 0.15 -0.51 0.02 0.00 0.00 175.30 175.84 3ihu s LEU 81 N -1.11 4.29 1.03 2.53 1.43 -1.26 -5.05 118.68 120.54 3ihu s LEU 81 Ca 0.13 0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 3ihu s LEU 81 Cb -0.11 -2.37 0.21 0.00 0.03 0.00 0.00 46.19 43.95 3ihu s LEU 81 CO 0.03 0.31 1.08 -0.94 0.23 0.00 0.00 176.35 177.07 3ihu s SER 82 N -1.59 2.29 0.14 2.29 1.04 -1.26 -4.80 113.70 111.81 3ihu s SER 82 Ca 0.22 1.29 -0.16 0.00 0.48 0.00 0.00 55.95 57.78 3ihu s SER 82 Cb -0.12 -1.98 0.01 0.00 0.10 0.00 0.00 66.02 64.02 3ihu s SER 82 CO 0.13 -3.36 1.75 0.25 0.98 0.00 0.00 173.24 172.99 3ihu h LEU 83 N -2.05 0.52 -1.00 2.42 5.85 -1.99 -0.06 115.31 119.00 3ihu h LEU 83 Ca -0.56 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.03 3ihu h LEU 83 Cb 1.33 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 3ihu h LEU 83 CO 0.56 0.46 0.21 -0.61 -0.34 0.00 0.00 178.44 178.72 3ihu h GLN 84 N 0.53 0.93 -0.40 1.25 5.75 -1.99 -0.35 115.11 120.84 3ihu h GLN 84 Ca 0.14 -0.17 -0.13 0.00 -0.15 0.00 0.00 58.65 58.35 3ihu h GLN 84 Cb 0.06 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 3ihu h GLN 84 CO -0.02 0.79 -0.26 0.93 -2.65 0.00 0.00 178.83 177.62 3ihu h GLU 85 N 0.91 0.83 -0.19 1.69 5.08 -1.75 -0.79 114.58 120.36 3ihu h GLU 85 Ca 0.21 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3ihu h GLU 85 Cb 0.24 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3ihu h GLU 85 CO -0.01 0.99 0.09 1.15 -1.00 0.00 0.00 179.01 180.22 3ihu h THR 86 N 0.71 1.14 -0.67 1.13 2.02 -0.33 -1.19 112.91 115.72 3ihu h THR 86 Ca 0.09 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 3ihu h THR 86 Cb 0.79 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 3ihu h THR 86 CO 0.07 0.14 0.42 -0.07 0.37 0.00 0.00 175.52 176.44 3ihu h LEU 87 N 0.17 0.79 -0.42 2.58 3.38 -0.87 -0.32 115.31 120.63 3ihu h LEU 87 Ca 0.06 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3ihu h LEU 87 Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3ihu h LEU 87 CO -0.01 0.60 -0.16 0.44 0.09 0.00 0.00 178.44 179.40 3ihu h ASP 88 N 0.92 0.87 -0.42 -0.43 3.32 -0.91 -1.15 116.42 118.61 3ihu h ASP 88 Ca 0.24 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.91 3ihu h ASP 88 Cb -0.06 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3ihu h ASP 88 CO -0.05 1.06 0.28 0.58 -1.72 0.00 0.00 179.24 179.39 3ihu h VAL 89 N 0.67 1.10 -0.06 -1.35 2.07 -0.75 -2.69 116.25 115.24 3ihu h VAL 89 Ca 0.10 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3ihu h VAL 89 Cb 0.71 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3ihu h VAL 89 CO 0.05 0.10 -0.13 -0.07 0.02 0.00 0.00 177.57 177.54 3ihu h LEU 90 N 0.56 0.08 -0.45 2.57 3.38 -0.86 -0.47 115.31 120.12 3ihu h LEU 90 Ca 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3ihu h LEU 90 Cb -0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3ihu h LEU 90 CO -0.04 0.23 0.26 0.44 0.09 0.00 0.00 178.44 179.42 3ihu h ASP 91 N 0.09 0.55 -0.13 -0.43 3.32 -0.88 0.91 116.42 119.85 3ihu h ASP 91 Ca 0.02 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 3ihu h ASP 91 Cb 0.30 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3ihu h ASP 91 CO 0.02 0.46 -0.18 0.58 -1.72 0.00 0.00 179.24 178.40 3ihu h VAL 92 N 0.59 1.37 -0.92 -1.35 2.07 -1.31 -3.16 116.25 113.53 3ihu h VAL 92 Ca 0.16 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.32 3ihu h VAL 92 Cb 0.03 1.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 3ihu h VAL 92 CO -0.03 0.41 0.60 0.00 0.02 0.00 0.00 177.57 178.57 3ihu h ALA 93 N 0.56 1.46 -0.25 1.67 0.00 -0.94 -2.49 119.26 119.28 3ihu h ALA 93 Ca 0.01 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ihu h ALA 93 Cb 0.74 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3ihu h ALA 93 CO 0.04 0.42 0.02 1.49 0.00 0.00 0.00 179.25 181.22 3ihu h GLU 94 N 1.09 0.10 -1.09 0.00 4.81 -0.87 0.38 114.58 119.01 3ihu h GLU 94 Ca 0.38 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3ihu h GLU 94 Cb 0.12 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3ihu h GLU 94 CO -0.13 0.07 0.00 0.54 -0.73 0.00 0.00 179.01 178.75 3ihu n ARG 95 N -5.12 0.70 0.00 1.92 1.74 -0.94 -1.69 116.66 113.27 3ihu n ARG 95 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3ihu n ARG 95 Cb 0.12 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 3ihu n ARG 95 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3ihu n THR 97 N 0.48 0.00 -0.09 0.55 -1.04 0.12 -1.47 114.28 112.84 3ihu n THR 97 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 3ihu n THR 97 Cb 0.29 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.80 3ihu n THR 97 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3ihu h GLY 98 N 0.00 -0.01 1.49 3.41 0.00 -1.49 -2.22 103.07 104.25 3ihu h GLY 98 Ca 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.53 3ihu h GLY 98 CO 0.00 -0.19 -0.01 -2.00 0.00 0.00 0.00 176.54 174.34 3ihu h LEU 99 N -0.17 0.60 -0.16 3.11 5.85 -1.52 -0.64 115.31 122.38 3ihu h LEU 99 Ca 0.17 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3ihu h LEU 99 Cb 0.43 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3ihu h LEU 99 CO -0.43 0.68 -0.07 0.25 -0.34 0.00 0.00 178.44 178.53 3ihu h LEU 100 N 0.59 -0.24 -0.10 2.25 5.85 -1.77 -0.21 115.31 121.68 3ihu h LEU 100 Ca 0.12 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3ihu h LEU 100 Cb 0.40 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3ihu h LEU 100 CO 0.02 -0.10 0.05 0.00 -0.34 0.00 0.00 178.44 178.06 3ihu h ALA 101 N 1.10 0.14 -0.39 1.25 0.00 -1.30 -1.77 119.26 118.28 3ihu h ALA 101 Ca 0.09 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3ihu h ALA 101 Cb 0.18 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 3ihu h ALA 101 CO -0.20 -0.29 -0.03 -0.09 0.00 0.00 0.00 179.25 178.64 3ihu h ARG 102 N 0.03 0.06 -0.22 0.00 2.43 -0.98 -2.60 114.38 113.09 3ihu h ARG 102 Ca 0.04 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 3ihu h ARG 102 Cb 0.15 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3ihu h ARG 102 CO -0.00 0.04 -0.35 0.00 -1.51 0.00 0.00 179.97 178.15 3ihu h ALA 103 N 1.36 0.98 0.00 2.80 0.00 -0.96 -2.88 119.26 120.57 3ihu h ALA 103 Ca 0.19 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ihu h ALA 103 Cb 0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ihu h ALA 103 CO -0.35 0.61 -0.00 0.00 0.00 0.00 0.00 179.25 179.50 3ihu h ALA 104 N 1.22 1.04 -0.00 0.00 0.00 -0.92 -1.49 119.26 119.11 3ihu h ALA 104 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ihu h ALA 104 Cb 0.80 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ihu h ALA 104 CO 0.07 0.00 0.01 1.79 0.00 0.00 0.00 179.25 181.12 3ihu h THR 105 N 0.00 0.17 0.00 0.00 1.35 -1.46 -0.70 112.91 112.26 3ihu h THR 105 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3ihu h THR 105 Cb 0.03 0.99 -0.00 0.00 -1.73 0.00 0.00 68.15 67.44 3ihu h THR 105 CO 0.00 0.00 -0.01 0.03 -0.25 0.00 0.00 175.52 175.29 3ihu h ARG 106 N 0.00 0.00 -0.68 4.72 3.08 -1.48 -2.17 114.38 117.85 3ihu h ARG 106 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ihu h ARG 106 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3ihu h ARG 106 CO -0.00 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 3ihu n GLY 107 N -1.21 2.54 0.30 0.04 0.00 -0.27 -4.61 105.19 101.98 3ihu n GLY 107 Ca -0.03 -0.81 0.19 0.00 0.00 0.00 0.00 46.02 45.37 3ihu n GLY 107 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ihu h SER 108 N 4.06 0.00 -0.24 1.61 4.64 -1.49 -0.87 113.55 121.26 3ihu h SER 108 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ihu h SER 108 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3ihu h SER 108 CO 0.16 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 3ihu n GLY 109 N -0.49 1.20 3.47 -0.77 0.00 -1.26 -4.87 105.19 102.47 3ihu n GLY 109 Ca -0.01 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 3ihu n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ihu s ASN 110 N -1.65 6.22 0.16 1.61 3.84 -0.33 -4.92 114.94 119.87 3ihu s ASN 110 Ca 0.35 -0.82 -0.16 0.00 0.21 0.00 0.00 52.86 52.43 3ihu s ASN 110 Cb 0.21 -2.41 0.07 0.00 -0.55 0.00 0.00 41.25 38.58 3ihu s ASN 110 CO 0.30 -1.32 1.73 1.56 -2.79 0.00 0.00 177.10 176.58 3ihu h GLN 111 N 9.43 0.18 -0.63 0.43 4.20 -1.89 -0.72 115.11 126.11 3ihu h GLN 111 Ca -0.28 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.43 3ihu h GLN 111 Cb 1.07 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 3ihu h GLN 111 CO 1.13 0.12 0.42 -1.35 -0.67 0.00 0.00 178.83 178.48 3ihu h PRO 112 N 0.19 0.82 -0.13 1.46 0.11 -1.97 -1.18 132.00 131.30 3ihu h PRO 112 Ca 0.17 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.02 3ihu h PRO 112 Cb 0.20 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.13 3ihu h PRO 112 CO -0.23 0.54 -0.76 1.96 -0.21 0.00 0.00 178.00 179.31 3ihu h GLN 113 N 0.84 0.74 -0.63 1.05 4.20 -1.53 -1.67 115.11 118.11 3ihu h GLN 113 Ca 0.24 -0.63 0.07 0.00 0.06 0.00 0.00 58.65 58.39 3ihu h GLN 113 Cb -0.07 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 3ihu h GLN 113 CO -0.05 1.23 0.31 0.28 -0.67 0.00 0.00 178.83 179.93 3ihu h VAL 114 N 0.45 0.89 -0.52 -0.54 2.07 -0.94 0.23 116.25 117.88 3ihu h VAL 114 Ca -0.06 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3ihu h VAL 114 Cb 1.40 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3ihu h VAL 114 CO 0.16 0.10 0.27 1.56 0.02 0.00 0.00 177.57 179.68 3ihu h GLN 115 N 0.57 0.75 -0.76 1.57 4.20 -1.14 0.11 115.11 120.40 3ihu h GLN 115 Ca 0.30 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.93 3ihu h GLN 115 Cb 0.26 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 3ihu h GLN 115 CO -0.23 0.60 0.49 0.00 -0.67 0.00 0.00 178.83 179.02 3ihu h ALA 116 N 1.10 0.98 -0.14 3.87 0.00 -0.87 -0.07 119.26 124.14 3ihu h ALA 116 Ca 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3ihu h ALA 116 Cb 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3ihu h ALA 116 CO -0.03 0.32 -0.08 1.25 0.00 0.00 0.00 179.25 180.71 3ihu h LEU 117 N 0.97 0.31 -0.92 0.00 5.85 0.24 0.10 115.31 121.86 3ihu h LEU 117 Ca 0.29 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3ihu h LEU 117 Cb -0.04 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 3ihu h LEU 117 CO -0.09 0.67 0.60 0.03 -0.34 0.00 0.00 178.44 179.31 3ihu h ARG 118 N -0.06 1.21 -0.54 1.25 3.08 -0.79 -0.72 114.38 117.81 3ihu h ARG 118 Ca 0.03 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3ihu h ARG 118 Cb 0.56 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3ihu h ARG 118 CO 0.02 0.81 0.14 0.00 -1.07 0.00 0.00 179.97 179.87 3ihu h ALA 119 N 1.33 0.71 -0.72 0.04 0.00 -0.77 -1.59 119.26 118.27 3ihu h ALA 119 Ca 0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3ihu h ALA 119 Cb -0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3ihu h ALA 119 CO -0.07 0.40 0.34 0.66 0.00 0.00 0.00 179.25 180.58 3ihu h SER 120 N 0.76 0.93 -0.33 0.00 4.64 -0.33 -1.26 113.55 117.96 3ihu h SER 120 Ca 0.17 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3ihu h SER 120 Cb 0.33 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3ihu h SER 120 CO 0.00 0.79 0.08 0.58 -0.87 0.00 0.00 176.83 177.41 3ihu h VAL 121 N 1.02 1.22 -0.24 0.95 2.07 -0.70 -1.83 116.25 118.74 3ihu h VAL 121 Ca 0.25 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 3ihu h VAL 121 Cb 0.11 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3ihu h VAL 121 CO -0.03 0.25 -0.09 1.56 0.02 0.00 0.00 177.57 179.28 3ihu h GLN 122 N 0.38 0.38 -0.52 1.57 1.08 -0.69 -1.42 115.11 115.91 3ihu h GLN 122 Ca 0.10 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 3ihu h GLN 122 Cb 0.29 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 3ihu h GLN 122 CO 0.00 0.49 0.08 0.00 -0.95 0.00 0.00 178.83 178.45 3ihu h ALA 123 N 1.55 1.18 -0.33 3.87 0.00 -1.01 -1.17 119.26 123.34 3ihu h ALA 123 Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ihu h ALA 123 Cb 0.39 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ihu h ALA 123 CO 0.02 0.55 0.20 -0.07 0.00 0.00 0.00 179.25 179.95 3ihu h LEU 124 N 0.77 0.40 -0.35 0.00 3.38 -0.48 -0.99 115.31 118.04 3ihu h LEU 124 Ca 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ihu h LEU 124 Cb 0.35 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3ihu h LEU 124 CO 0.01 0.33 0.23 0.58 0.09 0.00 0.00 178.44 179.68 3ihu h VAL 125 N 0.43 1.10 -0.54 1.22 2.07 -0.87 -0.13 116.25 119.55 3ihu h VAL 125 Ca 0.12 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3ihu h VAL 125 Cb 0.00 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3ihu h VAL 125 CO -0.02 0.10 0.21 0.00 0.02 0.00 0.00 177.57 177.87 3ihu h ALA 126 N 1.12 0.70 -0.61 1.67 0.00 -1.23 -2.03 119.26 118.88 3ihu h ALA 126 Ca 0.13 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3ihu h ALA 126 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3ihu h ALA 126 CO -0.03 0.31 0.05 0.00 0.00 0.00 0.00 179.25 179.59 3ihu h ALA 127 N 1.06 0.95 -0.26 0.00 0.00 -0.86 -2.03 119.26 118.11 3ihu h ALA 127 Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3ihu h ALA 127 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ihu h ALA 127 CO -0.01 0.65 0.12 1.49 0.00 0.00 0.00 179.25 181.49 3ihu h GLU 128 N 0.95 0.38 -0.17 0.00 4.22 -0.83 -1.50 114.58 117.63 3ihu h GLU 128 Ca 0.18 -0.06 0.03 0.00 0.08 0.00 0.00 59.36 59.59 3ihu h GLU 128 Cb 0.48 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3ihu h GLU 128 CO 0.02 0.40 -0.03 -0.22 -2.18 0.00 0.00 179.01 176.99 3ihu h LYS 129 N 0.28 0.01 0.00 1.92 3.64 -1.33 -2.11 116.57 118.99 3ihu h LYS 129 Ca 0.09 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3ihu h LYS 129 Cb 0.14 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3ihu h LYS 129 CO -0.01 0.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 3ihu n ALA 130 N -2.34 2.19 -2.95 5.00 0.00 -0.77 -4.87 120.51 116.77 3ihu n ALA 130 Ca -0.03 -0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 3ihu n ALA 130 Cb 0.11 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3ihu n ALA 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ihu n GLN 131 N -1.01 -3.11 -3.22 0.00 6.02 -0.61 -4.93 117.38 110.53 3ihu n GLN 131 Ca 0.14 0.57 -0.46 0.00 -0.01 0.00 0.00 57.00 57.24 3ihu n GLN 131 Cb 0.07 -5.25 -0.04 0.00 1.02 0.00 0.00 30.24 26.04 3ihu n GLN 131 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3ihu s ASP 132 N -2.44 6.44 0.48 1.08 -1.08 -0.95 -4.93 116.67 115.27 3ihu s ASP 132 Ca 0.23 -2.04 0.19 0.00 -0.52 0.00 0.00 52.55 50.40 3ihu s ASP 132 Cb -0.12 -2.26 1.22 0.00 -1.46 0.00 0.00 42.92 40.30 3ihu s ASP 132 CO 0.28 -0.85 2.00 1.23 0.52 0.00 0.00 175.17 178.35 3ihu h GLY 133 N 8.97 0.27 0.47 2.66 0.00 -1.92 -1.10 103.07 112.42 3ihu h GLY 133 Ca -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3ihu h GLY 133 CO 0.96 0.04 -0.09 -2.09 0.00 0.00 0.00 176.54 175.37 3ihu h GLU 134 N 0.19 -0.24 -0.16 4.80 4.81 -1.92 -1.14 114.58 120.91 3ihu h GLU 134 Ca 0.24 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 3ihu h GLU 134 Cb 0.70 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 3ihu h GLU 134 CO -0.04 0.16 -0.28 1.15 -0.73 0.00 0.00 179.01 179.27 3ihu h THR 135 N -0.78 1.26 -0.22 0.32 2.02 -1.93 -1.53 112.91 112.05 3ihu h THR 135 Ca -0.03 -1.25 -0.05 0.00 0.77 0.00 0.00 66.41 65.86 3ihu h THR 135 Cb 0.52 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3ihu h THR 135 CO 0.04 0.38 -0.04 0.15 0.37 0.00 0.00 175.52 176.42 3ihu h PHE 136 N 0.28 0.46 -0.71 3.16 3.57 -1.21 -0.49 116.94 122.00 3ihu h PHE 136 Ca 0.04 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.45 3ihu h PHE 136 Cb 0.65 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 3ihu h PHE 136 CO 0.01 0.64 0.46 0.77 -2.23 0.00 0.00 178.31 177.97 3ihu h SER 137 N 0.15 0.82 -0.14 0.41 0.02 -0.84 0.22 113.55 114.19 3ihu h SER 137 Ca 0.06 -0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.76 3ihu h SER 137 Cb 0.49 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.83 3ihu h SER 137 CO 0.02 0.60 -0.79 0.78 -1.14 0.00 0.00 176.83 176.29 3ihu h ASN 138 N 0.96 0.94 0.11 3.07 2.35 -1.08 -0.95 115.58 120.98 3ihu h ASN 138 Ca 0.26 -0.64 -0.13 0.00 -0.55 0.00 0.00 56.30 55.24 3ihu h ASN 138 Cb -0.10 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 37.98 3ihu h ASN 138 CO -0.06 1.43 -0.44 0.00 -1.65 0.00 0.00 177.43 176.71 3ihu h ALA 139 N 0.53 0.93 0.03 -0.83 0.00 -0.69 -1.82 119.26 117.41 3ihu h ALA 139 Ca -0.06 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.42 3ihu h ALA 139 Cb 1.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3ihu h ALA 139 CO 0.16 0.64 -0.11 -0.09 0.00 0.00 0.00 179.25 179.85 3ihu h ARG 140 N 0.33 -0.20 -0.56 0.00 2.43 -0.36 -0.65 114.38 115.38 3ihu h ARG 140 Ca 0.02 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.30 3ihu h ARG 140 Cb 0.92 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.40 3ihu h ARG 140 CO 0.08 -0.13 -0.40 -0.09 -1.51 0.00 0.00 179.97 177.91 3ihu h ARG 141 N -0.21 -0.21 -0.90 0.20 9.65 -1.00 -1.39 114.38 120.53 3ihu h ARG 141 Ca 0.03 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 3ihu h ARG 141 Cb 0.24 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.82 3ihu h ARG 141 CO -0.09 -0.14 0.59 1.25 2.80 0.00 0.00 179.97 184.38 3ihu h HIS 142 N -0.22 1.11 -0.06 2.20 2.76 -0.99 0.05 115.15 120.00 3ihu h HIS 142 Ca 0.19 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 3ihu h HIS 142 Cb 0.56 -0.37 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 3ihu h HIS 142 CO -0.68 0.68 -0.07 0.35 -1.30 0.00 0.00 177.93 176.91 3ihu h PHE 143 N 1.18 -0.16 -0.37 5.26 3.57 -0.51 -0.64 116.94 125.26 3ihu h PHE 143 Ca 0.34 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 3ihu h PHE 143 Cb -0.08 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3ihu h PHE 143 CO -0.01 -0.11 0.15 1.88 -2.23 0.00 0.00 178.31 178.00 3ihu h TYR 144 N -0.09 0.56 -0.89 0.41 -1.99 -0.91 -1.11 116.97 112.96 3ihu h TYR 144 Ca 0.05 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 3ihu h TYR 144 Cb 0.16 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 38.68 3ihu h TYR 144 CO -0.17 0.50 0.55 -0.09 -0.00 0.00 0.00 178.16 178.95 3ihu h ARG 145 N 0.46 1.19 -0.50 4.88 9.65 -0.86 -0.30 114.38 128.90 3ihu h ARG 145 Ca 0.12 -0.10 -0.05 0.00 -1.10 0.00 0.00 59.98 58.86 3ihu h ARG 145 Cb 0.17 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 3ihu h ARG 145 CO -0.01 0.82 0.12 1.15 2.80 0.00 0.00 179.97 184.86 3ihu h THR 146 N 1.22 1.24 -0.94 0.20 2.02 -0.75 0.06 112.91 115.95 3ihu h THR 146 Ca 0.32 -0.83 0.06 0.00 0.77 0.00 0.00 66.41 66.72 3ihu h THR 146 Cb -0.07 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 3ihu h THR 146 CO -0.06 0.30 0.61 -0.07 0.37 0.00 0.00 175.52 176.67 3ihu h LEU 147 N 0.68 0.98 -0.25 2.58 3.38 -0.69 -2.46 115.31 119.52 3ihu h LEU 147 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3ihu h LEU 147 Cb 0.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3ihu h LEU 147 CO 0.00 0.64 0.04 0.25 0.09 0.00 0.00 178.44 179.46 3ihu h LEU 148 N 1.12 0.40 -2.43 1.67 5.85 -0.10 -2.44 115.31 119.38 3ihu h LEU 148 Ca 0.40 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3ihu h LEU 148 Cb 0.14 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3ihu h LEU 148 CO -0.14 0.57 0.00 -0.62 -0.34 0.00 0.00 178.44 177.90 3ihu n GLU 149 N -4.68 0.21 0.00 1.25 -0.58 -0.08 -1.74 120.64 115.02 3ihu n GLU 149 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3ihu n GLU 149 Cb 0.21 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 3ihu n GLU 149 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ihu n GLY 151 N 1.13 0.00 3.62 0.62 0.00 -0.92 -4.92 105.19 104.72 3ihu n GLY 151 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3ihu n GLY 151 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ihu n ASP 152 N 0.00 -2.41 -4.52 1.61 2.03 -0.71 -4.85 116.55 107.70 3ihu n ASP 152 Ca 0.00 -0.51 -0.43 0.00 0.52 0.00 0.00 54.79 54.37 3ihu n ASP 152 Cb 0.00 -2.06 -0.04 0.00 -0.72 0.00 0.00 41.12 38.30 3ihu n ASP 152 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3ihu s ASN 153 N -2.76 6.34 0.37 1.67 3.84 -1.26 -4.92 114.94 118.21 3ihu s ASN 153 Ca 0.48 -0.34 0.10 0.00 0.21 0.00 0.00 52.86 53.31 3ihu s ASN 153 Cb -0.27 -2.45 0.87 0.00 -0.55 0.00 0.00 41.25 38.85 3ihu s ASN 153 CO 0.59 -1.29 1.86 -0.09 -2.79 0.00 0.00 177.10 175.38 3ihu h ARG 154 N 9.37 0.62 -0.32 0.43 2.43 -1.97 -1.38 114.38 123.56 3ihu h ARG 154 Ca -0.26 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.77 3ihu h ARG 154 Cb 1.07 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 3ihu h ARG 154 CO 1.11 0.41 -0.21 0.93 -1.51 0.00 0.00 179.97 180.70 3ihu h GLU 155 N 0.64 0.62 -0.30 0.20 4.39 -2.00 -2.39 114.58 115.74 3ihu h GLU 155 Ca 0.46 -0.23 -0.12 0.00 0.34 0.00 0.00 59.36 59.81 3ihu h GLU 155 Cb 0.82 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3ihu h GLU 155 CO -0.21 0.78 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.02 3ihu h LEU 156 N 0.55 0.67 -0.94 1.33 3.38 -1.76 -2.56 115.31 115.99 3ihu h LEU 156 Ca 0.08 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.84 3ihu h LEU 156 Cb 0.66 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3ihu h LEU 156 CO 0.05 0.95 0.60 0.03 0.09 0.00 0.00 178.44 180.16 3ihu h ARG 157 N 0.55 1.08 0.00 1.13 3.08 -0.90 0.62 114.38 119.94 3ihu h ARG 157 Ca 0.06 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3ihu h ARG 157 Cb 0.83 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3ihu h ARG 157 CO 0.07 0.71 -0.70 0.07 -1.07 0.00 0.00 179.97 179.05 3ihu h ARG 158 N 1.11 0.00 -0.01 0.04 0.11 -1.32 -3.05 114.38 111.25 3ihu h ARG 158 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 3ihu h ARG 158 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 3ihu h ARG 158 CO -0.16 0.70 -0.04 1.28 0.10 0.00 0.00 179.97 181.85 3ihu n LEU 159 N -3.51 1.25 -0.19 0.08 4.32 -0.87 -4.73 117.00 113.34 3ihu n LEU 159 Ca -0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 56.01 55.60 3ihu n LEU 159 Cb 0.73 -0.03 0.10 0.00 -1.62 0.00 0.00 43.42 42.61 3ihu n LEU 159 CO 0.43 0.21 0.90 0.15 -1.22 0.00 0.00 177.39 177.86 3ihu h PHE 160 N 1.89 0.16 -1.01 -1.77 3.57 -0.78 -1.40 116.94 117.60 3ihu h PHE 160 Ca 0.00 0.04 0.25 0.00 3.53 0.00 0.00 57.97 61.79 3ihu h PHE 160 Cb 0.45 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.12 3ihu h PHE 160 CO 0.00 -0.05 0.66 -1.35 -2.23 0.00 0.00 178.31 175.34 3ihu h PRO 161 N 0.23 0.39 -0.83 6.41 0.11 -1.85 -0.58 132.00 135.88 3ihu h PRO 161 Ca 0.31 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.46 3ihu h PRO 161 Cb 0.47 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.43 3ihu h PRO 161 CO -0.41 0.26 0.54 1.15 -0.21 0.00 0.00 178.00 179.33 3ihu h THR 162 N 0.40 1.05 -0.29 -1.15 2.02 -1.63 -2.68 112.91 110.64 3ihu h THR 162 Ca 0.56 -0.31 0.07 0.00 0.77 0.00 0.00 66.41 67.50 3ihu h THR 162 Cb 1.42 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3ihu h THR 162 CO -0.26 0.17 0.21 0.40 0.37 0.00 0.00 175.52 176.40 3ihu h ILE 163 N 0.92 0.89 0.00 3.11 2.04 -1.22 -3.46 117.51 119.78 3ihu h ILE 163 Ca 0.36 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.20 3ihu h ILE 163 Cb 0.22 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3ihu h ILE 163 CO -0.13 0.01 0.00 1.41 0.00 0.00 0.00 178.15 179.44 3ihu n HIS 164 N -4.46 0.00 0.00 1.37 8.25 -1.01 -4.99 115.22 114.37 3ihu n HIS 164 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3ihu n HIS 164 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 3ihu n HIS 164 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3ihu n PRO 166 N 0.00 0.00 0.01 -0.41 -0.04 -1.26 -4.80 135.00 128.50 3ihu n PRO 166 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 3ihu n PRO 166 Cb 0.00 -0.44 -0.08 0.00 -0.04 0.00 0.00 33.50 32.94 3ihu n PRO 166 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3ihu h ILE 167 N 0.00 1.18 -0.46 0.52 1.08 -1.94 -1.94 117.51 115.95 3ihu h ILE 167 Ca 0.00 -0.54 0.08 0.00 -0.39 0.00 0.00 64.86 64.00 3ihu h ILE 167 Cb 0.08 1.51 -0.06 0.00 -3.07 0.00 0.00 36.82 35.28 3ihu h ILE 167 CO 0.00 0.14 0.08 0.58 -0.69 0.00 0.00 178.15 178.26 3ihu h VAL 168 N -0.19 0.73 -0.38 1.67 2.07 -1.97 0.25 116.25 118.44 3ihu h VAL 168 Ca 0.01 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.54 3ihu h VAL 168 Cb 0.23 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 3ihu h VAL 168 CO 0.00 0.04 -0.22 -0.74 0.02 0.00 0.00 177.57 176.67 3ihu h HIS 169 N 0.21 -0.55 0.28 1.57 -0.00 -1.83 0.12 115.15 114.93 3ihu h HIS 169 Ca 0.23 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.63 3ihu h HIS 169 Cb 0.30 0.30 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 3ihu h HIS 169 CO -0.23 -0.29 -0.13 0.00 -0.00 0.00 0.00 177.93 177.27 3ihu h ALA 170 N 1.06 -0.37 -0.01 5.26 0.00 -0.57 -1.88 119.26 122.75 3ihu h ALA 170 Ca 0.19 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3ihu h ALA 170 Cb 0.44 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ihu h ALA 170 CO -0.47 -0.45 -0.38 0.37 0.00 0.00 0.00 179.25 178.32 3ihu h GLN 171 N -0.88 0.01 -0.42 0.00 4.15 -0.48 -2.80 115.11 114.69 3ihu h GLN 171 Ca -0.04 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3ihu h GLN 171 Cb 0.51 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3ihu h GLN 171 CO 0.06 0.39 0.00 0.72 -1.93 0.00 0.00 178.83 178.08 3ihu n HIS 172 N -4.08 1.28 -3.71 3.99 8.25 0.41 -4.98 115.22 116.37 3ihu n HIS 172 Ca -0.02 -0.75 -0.22 0.00 -0.26 0.00 0.00 57.72 56.46 3ihu n HIS 172 Cb 0.42 -0.33 0.03 0.00 1.12 0.00 0.00 29.99 31.23 3ihu n HIS 172 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ihu n ARG 173 N 0.16 -4.35 0.30 -0.41 1.74 -0.90 -4.86 116.66 108.35 3ihu n ARG 173 Ca 0.23 0.59 0.19 0.00 -0.77 0.00 0.00 57.85 58.09 3ihu n ARG 173 Cb 0.92 -5.04 0.95 0.00 -1.02 0.00 0.00 32.46 28.27 3ihu n ARG 173 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3ihu h LEU 174 N -1.84 0.00 -1.47 0.55 4.07 -1.60 -2.15 115.31 112.87 3ihu h LEU 174 Ca -0.62 0.00 0.24 0.00 0.08 0.00 0.00 57.88 57.58 3ihu h LEU 174 Cb 1.36 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 43.02 3ihu h LEU 174 CO 0.56 0.03 0.64 0.00 -1.08 0.00 0.00 178.44 178.59 3ihu h ALA 175 N 1.97 2.26 0.00 1.53 0.00 -1.89 -0.95 119.26 122.18 3ihu h ALA 175 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ihu h ALA 175 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ihu h ALA 175 CO 0.00 -0.60 0.00 -1.13 0.00 0.00 0.00 179.25 177.53 3ihu n SER 176 N -4.54 0.00 -1.33 0.00 3.41 -0.81 -3.35 113.62 107.01 3ihu n SER 176 Ca 0.22 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.38 3ihu n SER 176 Cb 0.80 -0.49 0.32 0.00 -0.26 0.00 0.00 64.21 64.58 3ihu n SER 176 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ihu n LEU 177 N -1.49 4.70 -0.21 1.04 4.77 -0.36 -4.76 117.00 120.69 3ihu n LEU 177 Ca 0.06 -3.00 -0.01 0.00 -0.03 0.00 0.00 56.01 53.03 3ihu n LEU 177 Cb 0.28 -0.61 0.22 0.00 -2.33 0.00 0.00 43.42 40.98 3ihu n LEU 177 CO 0.22 0.66 1.18 -0.09 -1.33 0.00 0.00 177.39 178.04 3ihu h ARG 178 N 2.71 0.99 0.00 3.23 2.43 -1.59 -0.32 114.38 121.83 3ihu h ARG 178 Ca 0.01 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3ihu h ARG 178 Cb 1.69 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 3ihu h ARG 178 CO 0.35 0.70 0.00 1.04 -1.51 0.00 0.00 179.97 180.55 3ihu n GLN 179 N -4.38 0.00 0.00 0.20 6.02 -1.26 -0.81 117.38 117.15 3ihu n GLN 179 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3ihu n GLN 179 Cb 0.08 -0.96 0.00 0.00 1.02 0.00 0.00 30.24 30.38 3ihu n GLN 179 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ihu n ARG 181 N -0.08 0.00 -0.14 -1.09 1.74 -0.13 -2.57 116.66 114.39 3ihu n ARG 181 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 3ihu n ARG 181 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 3ihu n ARG 181 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3ihu h LEU 182 N 0.00 0.49 -0.90 0.55 5.85 -1.23 -0.18 115.31 119.90 3ihu h LEU 182 Ca 0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3ihu h LEU 182 Cb 0.00 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3ihu h LEU 182 CO 0.00 0.36 0.56 0.44 -0.34 0.00 0.00 178.44 179.46 3ihu h ASP 183 N 0.58 1.07 -0.60 1.25 3.32 -1.75 0.74 116.42 121.03 3ihu h ASP 183 Ca 0.16 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.18 3ihu h ASP 183 Cb -0.06 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.18 3ihu h ASP 183 CO -0.03 0.81 0.37 0.44 -1.72 0.00 0.00 179.24 179.11 3ihu h ASP 184 N 1.24 0.60 -0.19 6.45 3.32 -1.67 -0.71 116.42 125.44 3ihu h ASP 184 Ca 0.33 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.26 3ihu h ASP 184 Cb -0.07 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3ihu h ASP 184 CO -0.06 0.42 -0.29 1.88 -1.72 0.00 0.00 179.24 179.46 3ihu h TYR 185 N 0.72 0.79 -0.66 4.55 0.05 -0.40 -0.77 116.97 121.26 3ihu h TYR 185 Ca 0.24 -0.20 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 3ihu h TYR 185 Cb 0.02 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 3ihu h TYR 185 CO -0.06 0.90 0.39 0.00 -1.05 0.00 0.00 178.16 178.34 3ihu h ARG 186 N 0.59 0.90 -0.60 4.88 3.08 -0.58 -1.60 114.38 121.05 3ihu h ARG 186 Ca 0.07 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3ihu h ARG 186 Cb 0.79 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 3ihu h ARG 186 CO 0.07 0.65 0.05 0.00 -1.07 0.00 0.00 179.97 179.67 3ihu h ARG 187 N 0.90 1.00 0.20 0.04 3.08 -0.74 -1.54 114.38 117.33 3ihu h ARG 187 Ca 0.24 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3ihu h ARG 187 Cb -0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3ihu h ARG 187 CO -0.04 0.96 -0.18 0.82 -1.07 0.00 0.00 179.97 180.45 3ihu h ILE 188 N 0.93 0.61 -0.06 2.04 2.04 -0.97 -0.48 117.51 121.61 3ihu h ILE 188 Ca 0.18 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.07 3ihu h ILE 188 Cb 0.47 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3ihu h ILE 188 CO 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 178.01 3ihu h ALA 189 N 0.35 -0.14 -1.01 1.87 0.00 -1.14 0.14 119.26 119.33 3ihu h ALA 189 Ca -0.00 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3ihu h ALA 189 Cb 0.37 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 3ihu h ALA 189 CO -0.03 -0.63 0.65 1.15 0.00 0.00 0.00 179.25 180.38 3ihu h THR 190 N -0.23 1.04 -0.20 0.00 2.02 -1.19 0.27 112.91 114.62 3ihu h THR 190 Ca 0.07 -0.39 -0.20 0.00 0.77 0.00 0.00 66.41 66.67 3ihu h THR 190 Cb 0.33 -0.19 0.01 0.00 -1.74 0.00 0.00 68.15 66.56 3ihu h THR 190 CO -0.20 0.21 -0.66 0.00 0.37 0.00 0.00 175.52 175.24 3ihu h ALA 191 N 1.48 0.34 -0.01 6.16 0.00 -0.41 -2.66 119.26 124.17 3ihu h ALA 191 Ca 0.45 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ihu h ALA 191 Cb 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ihu h ALA 191 CO -0.20 0.63 0.00 0.28 0.00 0.00 0.00 179.25 179.97 3ihu h VAL 192 N 0.53 1.09 0.00 0.00 2.07 -0.30 -2.74 116.25 116.90 3ihu h VAL 192 Ca -0.03 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 3ihu h VAL 192 Cb 1.28 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3ihu h VAL 192 CO 0.14 0.07 -0.08 -0.07 0.02 0.00 0.00 177.57 177.64 3ihu h LEU 193 N -0.09 0.00 -0.13 2.57 3.38 -0.94 -0.26 115.31 119.84 3ihu h LEU 193 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ihu h LEU 193 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ihu h LEU 193 CO -0.00 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3ihu n ALA 194 N -2.29 2.12 -0.42 1.53 0.00 -1.01 -4.90 120.51 115.55 3ihu n ALA 194 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3ihu n ALA 194 Cb 0.19 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3ihu n ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ihu n GLY 195 N 1.00 1.31 3.58 0.00 0.00 -0.11 -4.99 105.19 105.97 3ihu n GLY 195 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3ihu n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ihu s GLU 196 N -0.32 3.75 0.25 1.61 -6.30 -1.26 -4.89 118.70 111.54 3ihu s GLU 196 Ca 0.00 0.12 -0.05 0.00 -2.50 0.00 0.00 54.97 52.54 3ihu s GLU 196 Cb 0.00 -3.78 0.28 0.00 0.00 0.00 0.00 34.13 30.63 3ihu s GLU 196 CO 0.00 -0.67 1.83 -1.00 0.02 0.00 0.00 175.26 175.44 3ihu h PRO 197 N 8.37 1.09 -0.59 4.30 0.13 -1.92 -1.78 132.00 141.60 3ihu h PRO 197 Ca -0.27 -0.17 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 3ihu h PRO 197 Cb 1.11 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.03 3ihu h PRO 197 CO 0.82 0.86 0.17 -0.44 -0.23 0.00 0.00 178.00 179.18 3ihu h ASP 198 N 1.07 0.87 0.32 1.44 3.32 -1.93 0.77 116.42 122.29 3ihu h ASP 198 Ca 0.25 -0.22 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 3ihu h ASP 198 Cb 0.16 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3ihu h ASP 198 CO -0.03 0.86 -0.68 0.00 -1.72 0.00 0.00 179.24 177.67 3ihu h ALA 199 N 1.04 0.69 -0.29 3.45 0.00 -1.90 -1.68 119.26 120.58 3ihu h ALA 199 Ca 0.19 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ihu h ALA 199 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ihu h ALA 199 CO -0.00 0.76 0.19 0.00 0.00 0.00 0.00 179.25 180.19 3ihu h ALA 200 N 1.04 0.37 -0.45 0.00 0.00 -1.04 -1.52 119.26 117.66 3ihu h ALA 200 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ihu h ALA 200 Cb 1.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3ihu h ALA 200 CO 0.11 -0.15 0.29 1.49 0.00 0.00 0.00 179.25 181.00 3ihu h GLU 201 N 0.39 0.60 -0.96 0.00 4.81 -0.70 -1.24 114.58 117.47 3ihu h GLU 201 Ca 0.11 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3ihu h GLU 201 Cb -0.02 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 3ihu h GLU 201 CO -0.02 0.41 0.64 0.00 -0.73 0.00 0.00 179.01 179.30 3ihu h ALA 202 N 1.16 1.22 -0.47 2.92 0.00 -1.19 -0.98 119.26 121.92 3ihu h ALA 202 Ca 0.16 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3ihu h ALA 202 Cb -0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.33 3ihu h ALA 202 CO -0.03 0.60 -0.16 0.00 0.00 0.00 0.00 179.25 179.66 3ihu h ALA 203 N 1.36 0.83 -0.48 0.00 0.00 -0.48 0.49 119.26 120.98 3ihu h ALA 203 Ca 0.36 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3ihu h ALA 203 Cb -0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3ihu h ALA 203 CO -0.08 0.65 0.09 0.78 0.00 0.00 0.00 179.25 180.68 3ihu h GLY 204 N 0.94 0.84 1.33 0.00 0.00 -0.89 -2.86 103.07 102.43 3ihu h GLY 204 Ca 0.12 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.77 3ihu h GLY 204 CO 0.05 0.51 -0.26 0.00 0.00 0.00 0.00 176.54 176.85 3ihu h ALA 205 N 0.96 0.84 -0.86 3.60 0.00 -1.10 -2.88 119.26 119.83 3ihu h ALA 205 Ca 0.15 -0.39 0.16 0.00 0.00 0.00 0.00 54.91 54.83 3ihu h ALA 205 Cb 0.38 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.92 3ihu h ALA 205 CO 0.01 0.64 0.43 0.00 0.00 0.00 0.00 179.25 180.33 3ihu h ALA 206 N 1.05 1.31 0.01 0.00 0.00 -0.76 -1.14 119.26 119.73 3ihu h ALA 206 Ca 0.08 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3ihu h ALA 206 Cb 0.78 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ihu h ALA 206 CO 0.06 -0.13 -0.05 1.25 0.00 0.00 0.00 179.25 180.38 3ihu h HIS 207 N 0.59 -0.13 -0.62 0.00 6.17 -1.28 -1.60 115.15 118.27 3ihu h HIS 207 Ca 0.48 0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.49 3ihu h HIS 207 Cb 0.72 0.06 -0.03 0.00 2.52 0.00 0.00 27.41 30.69 3ihu h HIS 207 CO -0.10 -0.09 0.10 0.28 0.71 0.00 0.00 177.93 178.84 3ihu h VAL 208 N -0.10 1.26 -0.96 5.26 2.07 -1.37 -1.35 116.25 121.05 3ihu h VAL 208 Ca 0.02 -0.99 0.12 0.00 0.82 0.00 0.00 66.70 66.67 3ihu h VAL 208 Cb 0.12 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 3ihu h VAL 208 CO -0.05 0.37 0.61 0.11 0.02 0.00 0.00 177.57 178.63 3ihu h LYS 209 N 0.96 0.88 -0.36 1.57 1.57 -0.99 -0.16 116.57 120.02 3ihu h LYS 209 Ca 0.19 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 3ihu h LYS 209 Cb 0.41 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3ihu h LYS 209 CO 0.01 0.58 -0.10 -0.91 -0.57 0.00 0.00 179.45 178.46 3ihu h ASN 210 N 0.90 0.72 -0.33 0.86 2.35 -0.28 -0.89 115.58 118.92 3ihu h ASN 210 Ca 0.48 -0.37 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 3ihu h ASN 210 Cb 0.54 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 3ihu h ASN 210 CO -0.24 0.93 0.15 0.58 -1.65 0.00 0.00 177.43 177.20 3ihu h VAL 211 N 0.51 0.96 -0.09 2.81 2.07 -0.83 -1.04 116.25 120.64 3ihu h VAL 211 Ca 0.09 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3ihu h VAL 211 Cb 0.62 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3ihu h VAL 211 CO 0.04 0.06 -0.01 -0.09 0.02 0.00 0.00 177.57 177.59 3ihu h ARG 212 N 0.32 0.02 -0.67 1.57 2.43 -0.90 -1.62 114.38 115.52 3ihu h ARG 212 Ca 0.14 -0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.45 3ihu h ARG 212 Cb 0.08 -0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.52 3ihu h ARG 212 CO -0.12 0.01 0.14 0.78 -1.51 0.00 0.00 179.97 179.27 3ihu h GLY 213 N 0.02 0.88 1.01 2.80 0.00 -1.02 -0.01 103.07 106.74 3ihu h GLY 213 Ca 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 3ihu h GLY 213 CO -0.08 -0.16 0.16 0.00 0.00 0.00 0.00 176.54 176.46 3ihu h ALA 214 N 1.55 0.77 -0.31 3.60 0.00 -0.62 -0.36 119.26 123.89 3ihu h ALA 214 Ca 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3ihu h ALA 214 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ihu h ALA 214 CO -0.46 0.46 0.04 0.82 0.00 0.00 0.00 179.25 180.10 3ihu h ILE 215 N 0.84 1.24 -0.36 0.00 2.04 -0.76 -2.94 117.51 117.57 3ihu h ILE 215 Ca 0.19 -0.84 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 3ihu h ILE 215 Cb 0.32 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3ihu h ILE 215 CO -0.00 0.27 -0.13 -0.07 0.00 0.00 0.00 178.15 178.22 3ihu h LEU 216 N 0.33 0.63 -1.21 1.44 3.38 -0.81 -2.88 115.31 116.19 3ihu h LEU 216 Ca 0.09 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3ihu h LEU 216 Cb 0.36 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3ihu h LEU 216 CO 0.01 0.79 0.54 0.44 0.09 0.00 0.00 178.44 180.31 3ihu h ASP 217 N 0.58 0.88 -0.68 -0.43 5.19 -0.90 -1.96 116.42 119.11 3ihu h ASP 217 Ca 0.10 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.51 3ihu h ASP 217 Cb 0.57 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 3ihu h ASP 217 CO 0.04 0.61 0.45 0.03 -3.12 0.00 0.00 179.24 177.24 3ihu h ARG 218 N 1.02 0.88 0.00 3.56 3.08 -1.34 -3.51 114.38 118.07 3ihu h ARG 218 Ca 0.33 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3ihu h ARG 218 Cb 0.03 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3ihu h ARG 218 CO -0.10 0.58 0.00 1.04 -1.07 0.00 0.00 179.97 180.43