#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ipp n LEU 3 N 0.00 0.00 -4.89 0.00 0.00 -1.26 -4.97 117.00 105.88 1ipp n LEU 3 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.72 1ipp n LEU 3 Cb 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 43.42 43.60 1ipp n LEU 3 CO 0.00 -0.19 0.52 0.42 0.00 0.00 0.00 177.39 178.14 1ipp s THR 4 N -1.56 4.83 0.45 1.96 -4.23 -1.26 -4.89 115.64 110.93 1ipp s THR 4 Ca 0.00 0.47 0.13 0.00 -1.18 0.00 0.00 61.69 61.12 1ipp s THR 4 Cb 0.00 -3.84 0.31 0.00 1.34 0.00 0.00 72.50 70.31 1ipp s THR 4 CO 0.00 -0.87 2.03 0.78 -0.54 0.00 0.00 174.62 176.02 1ipp h ASN 5 N 0.28 0.31 -0.09 3.99 2.35 -2.00 -0.00 115.58 120.41 1ipp h ASN 5 Ca -0.46 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.15 1ipp h ASN 5 Cb 1.20 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 1ipp h ASN 5 CO 0.62 0.20 -0.39 0.00 -1.65 0.00 0.00 177.43 176.21 1ipp h ALA 6 N 1.76 0.82 -0.04 -0.83 0.00 -1.99 -2.04 119.26 116.94 1ipp h ALA 6 Ca 0.20 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 1ipp h ALA 6 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ipp h ALA 6 CO -0.05 0.65 -0.80 1.96 0.00 0.00 0.00 179.25 181.01 1ipp h GLN 7 N 0.51 0.31 -0.21 0.00 4.20 -1.49 -2.82 115.11 115.62 1ipp h GLN 7 Ca 0.04 -0.29 -0.12 0.00 0.06 0.00 0.00 58.65 58.34 1ipp h GLN 7 Cb 0.91 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1ipp h GLN 7 CO 0.08 0.96 -0.39 0.82 -0.67 0.00 0.00 178.83 179.63 1ipp h ILE 8 N 0.20 1.30 -0.64 2.54 1.08 -0.98 -2.41 117.51 118.60 1ipp h ILE 8 Ca -0.04 -1.54 -0.06 0.00 -0.39 0.00 0.00 64.86 62.83 1ipp h ILE 8 Cb 1.39 1.57 -0.03 0.00 -3.07 0.00 0.00 36.82 36.68 1ipp h ILE 8 CO 0.13 0.48 0.17 -0.07 -0.69 0.00 0.00 178.15 178.17 1ipp h LEU 9 N 0.40 0.96 -1.06 1.44 3.38 -1.35 -0.26 115.31 118.82 1ipp h LEU 9 Ca 0.04 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1ipp h LEU 9 Cb 0.86 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1ipp h LEU 9 CO 0.07 0.94 -0.11 0.00 0.09 0.00 0.00 178.44 179.43 1ipp h ALA 10 N 1.06 1.22 -0.35 1.53 0.00 -1.38 0.10 119.26 121.44 1ipp h ALA 10 Ca 0.20 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1ipp h ALA 10 Cb 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ipp h ALA 10 CO -0.00 0.51 -0.39 0.28 0.00 0.00 0.00 179.25 179.64 1ipp h VAL 11 N 0.51 1.28 -0.43 0.00 2.07 -1.17 -1.82 116.25 116.68 1ipp h VAL 11 Ca 0.09 -1.57 -0.07 0.00 0.82 0.00 0.00 66.70 65.98 1ipp h VAL 11 Cb 0.49 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1ipp h VAL 11 CO 0.03 0.52 -0.00 0.40 0.02 0.00 0.00 177.57 178.54 1ipp h ILE 12 N 0.69 1.26 -0.72 4.57 2.04 -0.69 -2.32 117.51 122.34 1ipp h ILE 12 Ca 0.05 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1ipp h ILE 12 Cb 0.99 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1ipp h ILE 12 CO 0.10 0.35 0.47 0.44 0.00 0.00 0.00 178.15 179.51 1ipp h ASP 13 N 0.59 0.84 0.13 1.72 3.32 -0.78 -1.28 116.42 120.95 1ipp h ASP 13 Ca 0.12 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 1ipp h ASP 13 Cb 0.49 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1ipp h ASP 13 CO 0.02 0.61 -0.55 0.77 -1.72 0.00 0.00 179.24 178.37 1ipp h SER 14 N 0.98 0.50 -0.25 6.45 4.64 -1.27 -2.41 113.55 122.19 1ipp h SER 14 Ca 0.26 -0.27 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1ipp h SER 14 Cb -0.10 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 1ipp h SER 14 CO -0.06 0.95 -0.12 -0.25 -0.87 0.00 0.00 176.83 176.48 1ipp h TRP 15 N 0.34 0.60 -0.72 4.77 7.01 -1.29 -2.23 115.95 124.44 1ipp h TRP 15 Ca 0.01 -0.15 0.04 0.00 2.11 0.00 0.00 58.89 60.90 1ipp h TRP 15 Cb 1.07 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.95 1ipp h TRP 15 CO 0.04 0.79 0.44 0.93 -2.79 0.00 0.00 178.44 177.84 1ipp h GLU 16 N 0.25 0.81 -0.41 2.65 5.08 -1.15 0.18 114.58 121.99 1ipp h GLU 16 Ca 0.06 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1ipp h GLU 16 Cb 0.63 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1ipp h GLU 16 CO 0.04 0.54 0.11 0.93 -1.00 0.00 0.00 179.01 179.62 1ipp h GLU 17 N 0.83 0.65 -0.06 2.33 4.39 -1.36 0.38 114.58 121.74 1ipp h GLU 17 Ca 0.30 -0.15 -0.24 0.00 0.34 0.00 0.00 59.36 59.61 1ipp h GLU 17 Cb 0.08 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1ipp h GLU 17 CO -0.14 0.66 -0.91 1.79 -1.16 0.00 0.00 179.01 179.26 1ipp h THR 18 N 0.52 1.30 -0.18 1.13 1.35 -1.21 -3.14 112.91 112.67 1ipp h THR 18 Ca 0.13 -2.16 -0.09 0.00 -0.55 0.00 0.00 66.41 63.74 1ipp h THR 18 Cb 0.30 2.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 1ipp h THR 18 CO -0.00 0.67 -0.27 0.58 -0.25 0.00 0.00 175.52 176.25 1ipp h VAL 19 N 0.42 1.26 -0.19 6.82 2.07 -0.93 -2.43 116.25 123.27 1ipp h VAL 19 Ca -0.09 -1.22 0.05 0.00 0.82 0.00 0.00 66.70 66.27 1ipp h VAL 19 Cb 1.54 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1ipp h VAL 19 CO 0.18 0.38 0.14 1.23 0.02 0.00 0.00 177.57 179.51 1ipp h GLY 20 N 1.02 0.00 -0.44 2.17 0.00 -0.19 -1.45 103.07 104.18 1ipp h GLY 20 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1ipp h GLY 20 CO 0.05 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.53 1ipp n GLN 21 N -4.47 1.63 -2.21 4.80 6.02 -0.92 -4.90 117.38 117.34 1ipp n GLN 21 Ca 0.02 -0.93 -0.36 0.00 -0.01 0.00 0.00 57.00 55.71 1ipp n GLN 21 Cb 0.27 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1ipp n GLN 21 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1ipp s PHE 22 N -1.95 2.75 -0.06 1.08 0.08 -0.55 -4.91 117.98 114.41 1ipp s PHE 22 Ca 0.37 1.53 -0.37 0.00 0.12 0.00 0.00 56.93 58.58 1ipp s PHE 22 Cb 0.20 -3.39 -0.15 0.00 -0.57 0.00 0.00 43.02 39.11 1ipp s PHE 22 CO 0.32 -1.67 1.64 -2.30 -0.10 0.00 0.00 175.22 173.11 1ipp n PRO 23 N -0.82 1.56 -3.02 0.24 -0.02 -1.25 -4.62 135.00 127.06 1ipp n PRO 23 Ca 0.09 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.70 1ipp n PRO 23 Cb 0.49 -2.29 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 1ipp n PRO 23 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ipp s VAL 24 N 2.41 4.66 -0.24 -1.45 1.01 -1.26 -2.07 120.40 123.47 1ipp s VAL 24 Ca 0.90 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.59 1ipp s VAL 24 Cb -0.89 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 31.04 1ipp s VAL 24 CO 0.53 -0.95 0.23 -0.63 0.00 0.00 0.00 175.10 174.28 1ipp s ILE 25 N 3.21 5.31 -0.26 2.22 -1.09 0.16 -4.88 121.20 125.88 1ipp s ILE 25 Ca 0.22 0.32 -0.24 0.00 -2.23 0.00 0.00 60.65 58.72 1ipp s ILE 25 Cb -0.16 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.14 1ipp s ILE 25 CO 0.15 0.30 0.79 -0.89 -1.23 0.00 0.00 174.94 174.07 1ipp s THR 26 N 1.24 4.85 -0.13 2.92 2.01 -1.26 -0.20 115.64 125.07 1ipp s THR 26 Ca 0.11 1.43 0.03 0.00 0.31 0.00 0.00 61.69 63.56 1ipp s THR 26 Cb -0.14 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.28 1ipp s THR 26 CO 0.06 -0.10 -0.22 -1.00 -0.69 0.00 0.00 174.62 172.68 1ipp s HIS 27 N 2.82 2.64 -0.22 4.92 3.76 0.73 -4.99 115.29 124.95 1ipp s HIS 27 Ca 0.33 -1.21 -0.19 0.00 -0.15 0.00 0.00 55.06 53.85 1ipp s HIS 27 Cb -0.15 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.73 1ipp s HIS 27 CO 0.09 -0.53 0.54 -1.01 -0.85 0.00 0.00 174.74 172.97 1ipp s HIS 28 N 0.64 3.33 0.12 1.40 3.76 -1.26 -0.17 115.29 123.12 1ipp s HIS 28 Ca -0.11 0.75 0.05 0.00 -0.15 0.00 0.00 55.06 55.60 1ipp s HIS 28 Cb -0.16 -2.71 -0.04 0.00 1.11 0.00 0.00 32.58 30.78 1ipp s HIS 28 CO 0.02 -0.18 -0.12 0.14 -0.85 0.00 0.00 174.74 173.75 1ipp s VAL 29 N 1.93 1.16 0.20 -0.90 -7.23 0.20 -4.94 120.40 110.83 1ipp s VAL 29 Ca 0.24 -1.74 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 1ipp s VAL 29 Cb -0.15 -1.52 -0.08 0.00 0.56 0.00 0.00 36.38 35.19 1ipp s VAL 29 CO 0.09 -0.52 1.14 -2.16 -0.31 0.00 0.00 175.10 173.34 1ipp s PRO 30 N -2.89 4.56 -0.00 4.82 0.04 -1.26 -0.30 135.00 139.97 1ipp s PRO 30 Ca 0.09 1.80 0.17 0.00 0.04 0.00 0.00 61.00 63.09 1ipp s PRO 30 Cb -0.03 -3.24 -0.19 0.00 0.04 0.00 0.00 34.50 31.08 1ipp s PRO 30 CO 0.02 0.04 0.67 1.28 0.04 0.00 0.00 177.00 179.05 1ipp n LEU 31 N 2.14 0.70 0.00 -3.56 4.77 -0.12 0.79 117.00 121.73 1ipp n LEU 31 Ca 0.02 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1ipp n LEU 31 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1ipp n LEU 31 CO 0.55 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1ipp n GLY 32 N 1.41 1.21 2.27 -0.72 0.00 -1.25 -0.76 105.19 107.35 1ipp n GLY 32 Ca 0.02 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1ipp n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ipp n GLY 33 N 1.19 -0.06 3.35 -0.02 0.00 -1.19 -2.76 105.19 105.69 1ipp n GLY 33 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1ipp n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ipp n GLY 34 N -1.05 0.72 3.84 -0.02 0.00 -1.26 -5.00 105.19 102.41 1ipp n GLY 34 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1ipp n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ipp s LEU 35 N 0.00 4.09 -0.14 0.99 1.43 -1.11 -4.99 118.68 118.95 1ipp s LEU 35 Ca 0.00 1.39 0.02 0.00 -1.03 0.00 0.00 54.13 54.51 1ipp s LEU 35 Cb 0.00 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 42.14 1ipp s LEU 35 CO 0.00 -0.19 -0.19 -1.10 0.23 0.00 0.00 176.35 175.09 1ipp s GLN 36 N -2.84 3.12 0.50 1.70 -1.52 -1.26 -0.94 119.66 118.42 1ipp s GLN 36 Ca 0.54 -0.81 0.02 0.00 -1.95 0.00 0.00 55.36 53.15 1ipp s GLN 36 Cb -0.11 -2.49 -0.02 0.00 -0.22 0.00 0.00 33.01 30.17 1ipp s GLN 36 CO 0.17 0.05 0.00 0.20 -0.25 0.00 0.00 175.29 175.47 1ipp s GLY 37 N 0.69 2.98 -0.11 3.09 0.00 0.59 -4.93 107.32 109.64 1ipp s GLY 37 Ca -0.09 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.10 1ipp s GLY 37 CO 0.01 -2.19 -0.14 -1.59 0.00 0.00 0.00 173.10 169.19 1ipp s THR 38 N -2.87 1.44 -0.04 0.90 2.01 -1.26 -0.62 115.64 115.19 1ipp s THR 38 Ca 0.08 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1ipp s THR 38 Cb 0.02 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1ipp s THR 38 CO 0.04 0.43 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.52 1ipp s LEU 39 N 1.03 2.88 -0.33 4.42 1.02 0.77 -4.98 118.68 123.49 1ipp s LEU 39 Ca -0.06 -0.16 -0.02 0.00 0.02 0.00 0.00 54.13 53.92 1ipp s LEU 39 Cb -0.15 -1.61 0.07 0.00 0.02 0.00 0.00 46.19 44.52 1ipp s LEU 39 CO -0.02 0.34 0.05 -1.00 0.02 0.00 0.00 176.35 175.74 1ipp s HIS 40 N -0.79 3.37 -0.11 0.29 3.76 -1.26 -0.19 115.29 120.36 1ipp s HIS 40 Ca 0.12 -2.06 -0.14 0.00 -0.15 0.00 0.00 55.06 52.84 1ipp s HIS 40 Cb -0.11 -2.42 -0.05 0.00 1.11 0.00 0.00 32.58 31.12 1ipp s HIS 40 CO 0.02 -0.85 0.32 0.00 -0.85 0.00 0.00 174.74 173.38 1ipp s TYR 42 N -0.11 3.76 -0.11 0.00 1.51 -1.26 0.40 117.35 121.54 1ipp s TYR 42 Ca 0.19 -2.03 -0.26 0.00 -1.01 0.00 0.00 57.07 53.96 1ipp s TYR 42 Cb -0.14 -3.80 -0.02 0.00 -0.11 0.00 0.00 41.96 37.89 1ipp s TYR 42 CO 0.07 -0.98 0.82 -1.21 -1.11 0.00 0.00 175.55 173.14 1ipp s GLU 43 N 0.13 4.38 0.27 -0.62 2.02 -0.88 -0.39 118.70 123.61 1ipp s GLU 43 Ca 0.18 1.05 -0.29 0.00 0.02 0.00 0.00 54.97 55.93 1ipp s GLU 43 Cb -0.10 -3.52 -0.10 0.00 0.10 0.00 0.00 34.13 30.51 1ipp s GLU 43 CO -0.09 -0.17 1.29 -1.50 0.02 0.00 0.00 175.26 174.82 1ipp s ILE 44 N 1.57 2.97 0.79 -1.63 2.07 -0.25 -3.81 121.20 122.92 1ipp s ILE 44 Ca 0.40 0.90 -0.15 0.00 -1.41 0.00 0.00 60.65 60.39 1ipp s ILE 44 Cb -0.18 -3.57 0.01 0.00 0.13 0.00 0.00 42.46 38.86 1ipp s ILE 44 CO 0.17 0.18 0.73 -2.65 -1.91 0.00 0.00 174.94 171.46 1ipp n PRO 45 N 1.60 0.18 0.18 3.50 -0.02 -1.26 -4.93 135.00 134.25 1ipp n PRO 45 Ca 0.03 0.12 0.03 0.00 -2.02 0.00 0.00 63.50 61.65 1ipp n PRO 45 Cb 0.42 -2.04 0.33 0.00 -0.02 0.00 0.00 33.50 32.19 1ipp n PRO 45 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ipp h LEU 46 N -0.73 0.00 -8.86 2.45 3.38 -1.93 -3.47 115.31 106.16 1ipp h LEU 46 Ca -0.46 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.08 1ipp h LEU 46 Cb 1.32 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.94 1ipp h LEU 46 CO 0.42 0.42 -0.49 0.00 0.09 0.00 0.00 178.44 178.88 1ipp s ALA 47 N -3.93 1.75 0.41 1.53 0.00 -1.26 -5.16 121.76 115.10 1ipp s ALA 47 Ca -0.02 -2.02 -0.23 0.00 0.00 0.00 0.00 51.96 49.69 1ipp s ALA 47 Cb 0.13 1.46 -0.09 0.00 0.00 0.00 0.00 23.12 24.62 1ipp s ALA 47 CO 0.72 -0.66 1.04 0.00 0.00 0.00 0.00 175.76 176.86 1ipp s ALA 48 N -3.51 3.06 0.50 0.00 0.00 -1.26 -4.23 121.76 116.32 1ipp s ALA 48 Ca 0.40 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 52.88 1ipp s ALA 48 Cb 0.03 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 1ipp s ALA 48 CO 0.26 -0.20 0.96 -1.25 0.00 0.00 0.00 175.76 175.52 1ipp s PRO 49 N -2.62 3.92 -0.07 0.00 0.04 -1.26 -5.14 135.00 129.88 1ipp s PRO 49 Ca 0.59 0.88 0.20 0.00 0.04 0.00 0.00 61.00 62.71 1ipp s PRO 49 Cb -0.20 -2.17 -0.26 0.00 0.04 0.00 0.00 34.50 31.91 1ipp s PRO 49 CO 0.26 -0.24 0.41 0.66 0.04 0.00 0.00 177.00 178.12 1ipp n TYR 50 N -1.56 0.21 0.00 0.56 4.01 -1.26 -4.76 117.16 114.35 1ipp n TYR 50 Ca 0.06 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1ipp n TYR 50 Cb 0.54 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 1ipp n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ipp n GLY 51 N 1.46 4.35 3.67 2.72 0.00 -1.26 -4.49 105.19 111.64 1ipp n GLY 51 Ca -0.16 -1.44 -0.54 0.00 0.00 0.00 0.00 46.02 43.89 1ipp n GLY 51 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ipp n VAL 52 N -1.81 0.24 -0.83 1.61 0.31 -1.26 -0.89 118.33 115.69 1ipp n VAL 52 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1ipp n VAL 52 Cb 0.00 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1ipp n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ipp n GLY 53 N 3.69 0.87 3.57 2.92 0.00 -1.26 -4.96 105.19 110.02 1ipp n GLY 53 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 1ipp n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ipp s PHE 54 N -3.41 3.16 0.02 1.61 0.08 -0.07 0.09 117.98 119.45 1ipp s PHE 54 Ca 0.00 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 56.95 1ipp s PHE 54 Cb 0.00 -2.06 -0.02 0.00 -0.57 0.00 0.00 43.02 40.37 1ipp s PHE 54 CO 0.00 0.03 -0.03 0.00 -0.10 0.00 0.00 175.22 175.12 1ipp s ALA 55 N 0.52 0.16 -0.14 5.36 0.00 -0.76 -4.38 121.76 122.51 1ipp s ALA 55 Ca 0.01 -0.47 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 1ipp s ALA 55 Cb -0.13 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1ipp s ALA 55 CO 0.02 -0.10 0.40 0.21 0.00 0.00 0.00 175.76 176.28 1ipp s LYS 56 N -1.10 4.30 0.00 0.00 2.20 -1.26 -0.10 119.74 123.78 1ipp s LYS 56 Ca -0.11 0.29 0.08 0.00 -0.36 0.00 0.00 55.97 55.87 1ipp s LYS 56 Cb -0.07 -3.44 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 1ipp s LYS 56 CO -0.01 0.17 0.61 0.27 -0.36 0.00 0.00 175.35 176.04 1ipp n ASN 57 N 3.71 1.23 -3.73 1.43 2.04 -0.38 -4.96 115.26 114.59 1ipp n ASN 57 Ca -0.09 -1.11 -0.06 0.00 -0.44 0.00 0.00 54.58 52.88 1ipp n ASN 57 Cb 0.52 0.37 -0.02 0.00 -2.53 0.00 0.00 39.78 38.12 1ipp n ASN 57 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1ipp s GLY 58 N -1.09 -0.25 0.24 4.83 0.00 -1.03 -4.93 107.32 105.10 1ipp s GLY 58 Ca 0.07 0.13 -0.15 0.00 0.00 0.00 0.00 44.72 44.78 1ipp s GLY 58 CO 0.18 0.03 1.55 -2.55 0.00 0.00 0.00 173.10 172.32 1ipp h PRO 59 N 2.00 -0.00 -0.65 2.90 0.11 -2.03 -1.77 132.00 132.55 1ipp h PRO 59 Ca -0.23 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.43 1ipp h PRO 59 Cb 1.24 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.93 1ipp h PRO 59 CO 0.26 -0.00 -0.92 0.25 -0.21 0.00 0.00 178.00 177.38 1ipp n THR 60 N -5.51 2.11 -4.59 -1.15 -2.24 -1.26 -5.03 114.28 96.62 1ipp n THR 60 Ca 0.12 -3.80 -0.24 0.00 -2.27 0.00 0.00 64.05 57.86 1ipp n THR 60 Cb 0.43 -0.33 -0.16 0.00 -2.10 0.00 0.00 70.33 68.16 1ipp n THR 60 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ipp s ARG 61 N -3.67 1.51 0.16 -0.78 1.81 -0.67 -4.97 118.95 112.34 1ipp s ARG 61 Ca 0.43 -0.42 0.02 0.00 -1.72 0.00 0.00 55.73 54.04 1ipp s ARG 61 Cb 0.38 -1.30 -0.05 0.00 -0.45 0.00 0.00 34.95 33.54 1ipp s ARG 61 CO 0.01 0.10 -0.02 -1.58 -0.68 0.00 0.00 175.30 173.14 1ipp s TRP 62 N 0.40 1.17 0.06 -0.53 0.51 -1.26 -1.25 118.94 118.05 1ipp s TRP 62 Ca -0.09 -0.98 0.01 0.00 -2.12 0.00 0.00 56.10 52.92 1ipp s TRP 62 Cb -0.13 -0.66 -0.03 0.00 -0.81 0.00 0.00 33.47 31.83 1ipp s TRP 62 CO 0.02 -0.18 -0.06 -0.65 -0.51 0.00 0.00 176.95 175.58 1ipp s GLN 63 N -3.89 0.64 -0.10 4.98 -0.21 0.86 -0.66 119.66 121.28 1ipp s GLN 63 Ca 0.22 -1.05 0.03 0.00 0.02 0.00 0.00 55.36 54.58 1ipp s GLN 63 Cb 0.06 -0.13 -0.01 0.00 1.00 0.00 0.00 33.01 33.93 1ipp s GLN 63 CO 0.02 -0.01 -0.21 -0.47 -2.12 0.00 0.00 175.29 172.50 1ipp s TYR 64 N -2.71 2.62 0.05 0.91 5.04 0.07 -1.83 117.35 121.49 1ipp s TYR 64 Ca 0.01 -0.86 0.08 0.00 -2.44 0.00 0.00 57.07 53.87 1ipp s TYR 64 Cb -0.01 -1.73 -0.03 0.00 0.35 0.00 0.00 41.96 40.54 1ipp s TYR 64 CO -0.04 -0.31 -0.23 0.21 -1.34 0.00 0.00 175.55 173.84 1ipp s LYS 65 N 0.23 1.58 -0.15 4.97 2.20 0.11 -1.25 119.74 127.43 1ipp s LYS 65 Ca -0.14 -1.03 -0.08 0.00 -0.36 0.00 0.00 55.97 54.36 1ipp s LYS 65 Cb -0.17 -1.73 0.06 0.00 -1.51 0.00 0.00 37.83 34.48 1ipp s LYS 65 CO 0.07 0.44 0.37 1.03 -0.36 0.00 0.00 175.35 176.91 1ipp s ARG 66 N -1.23 0.35 -0.42 4.03 1.81 -0.33 -4.54 118.95 118.62 1ipp s ARG 66 Ca 0.10 0.73 -0.15 0.00 -1.72 0.00 0.00 55.73 54.69 1ipp s ARG 66 Cb -0.09 -0.04 0.03 0.00 -0.45 0.00 0.00 34.95 34.39 1ipp s ARG 66 CO 0.02 -0.16 0.31 0.99 -0.68 0.00 0.00 175.30 175.78 1ipp s THR 67 N 1.36 5.15 0.00 0.02 2.01 -1.26 -1.07 115.64 121.85 1ipp s THR 67 Ca -0.09 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1ipp s THR 67 Cb -0.09 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.50 1ipp s THR 67 CO -0.12 -0.36 0.00 -0.38 -0.69 0.00 0.00 174.62 173.07 1ipp n ILE 68 N 5.14 0.00 -3.06 1.82 -0.00 -0.75 -4.68 119.36 117.83 1ipp n ILE 68 Ca -0.11 0.39 -0.28 0.00 -0.00 0.00 0.00 62.75 62.75 1ipp n ILE 68 Cb 0.46 -1.21 -0.05 0.00 -0.00 0.00 0.00 39.64 38.84 1ipp n ILE 68 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1ipp n ASN 69 N -1.78 4.45 0.00 4.38 3.02 -1.26 -4.80 115.26 119.27 1ipp n ASN 69 Ca 0.00 -3.62 0.00 0.00 -0.03 0.00 0.00 54.58 50.93 1ipp n ASN 69 Cb 0.00 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.54 1ipp n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ipp n GLN 70 N 0.08 0.00 -4.01 3.52 6.02 -1.26 -4.98 117.38 116.75 1ipp n GLN 70 Ca 0.31 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.95 1ipp n GLN 70 Cb 0.39 -2.33 -0.11 0.00 1.02 0.00 0.00 30.24 29.21 1ipp n GLN 70 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ipp s VAL 71 N -2.61 4.57 0.24 5.09 0.11 -1.26 -5.08 120.40 121.46 1ipp s VAL 71 Ca 0.00 -0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.65 1ipp s VAL 71 Cb 0.00 -3.07 -0.09 0.00 -1.53 0.00 0.00 36.38 31.69 1ipp s VAL 71 CO 0.00 0.44 1.01 -0.69 -3.33 0.00 0.00 175.10 172.53 1ipp s VAL 72 N 0.63 3.86 0.01 2.04 1.01 -1.26 -1.81 120.40 124.89 1ipp s VAL 72 Ca 0.02 1.83 0.04 0.00 0.00 0.00 0.00 61.98 63.87 1ipp s VAL 72 Cb -0.13 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1ipp s VAL 72 CO 0.02 0.42 -0.12 -1.00 0.00 0.00 0.00 175.10 174.41 1ipp s HIS 73 N -1.01 1.07 -0.03 5.22 3.76 -0.23 -4.98 115.29 119.10 1ipp s HIS 73 Ca 0.43 -0.27 -0.06 0.00 -0.15 0.00 0.00 55.06 55.02 1ipp s HIS 73 Cb -0.28 -0.67 0.01 0.00 1.11 0.00 0.00 32.58 32.75 1ipp s HIS 73 CO 0.35 -0.00 0.14 0.50 -0.85 0.00 0.00 174.74 174.88 1ipp s ARG 74 N -0.66 0.29 0.12 1.40 3.52 -1.26 -1.19 118.95 121.17 1ipp s ARG 74 Ca 0.03 -0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.60 1ipp s ARG 74 Cb -0.06 0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.42 1ipp s ARG 74 CO 0.00 -0.05 -0.01 -1.58 -0.81 0.00 0.00 175.30 172.84 1ipp s TRP 75 N -0.48 0.92 0.33 5.12 0.51 -0.38 -4.98 118.94 119.97 1ipp s TRP 75 Ca -0.06 -1.04 -0.29 0.00 -2.12 0.00 0.00 56.10 52.60 1ipp s TRP 75 Cb -0.04 -0.54 -0.10 0.00 -0.81 0.00 0.00 33.47 31.98 1ipp s TRP 75 CO 0.01 -0.28 1.30 0.20 -0.51 0.00 0.00 176.95 177.66 1ipp s GLY 76 N -3.06 2.98 0.17 0.98 0.00 -1.26 -0.75 107.32 106.37 1ipp s GLY 76 Ca 0.17 1.24 -0.19 0.00 0.00 0.00 0.00 44.72 45.95 1ipp s GLY 76 CO -0.02 1.90 1.30 -1.26 0.00 0.00 0.00 173.10 175.03 1ipp n SER 77 N 0.88 -0.67 -0.17 1.64 2.88 0.16 -1.80 113.62 116.54 1ipp n SER 77 Ca 0.00 1.48 0.15 0.00 -1.33 0.00 0.00 58.87 59.17 1ipp n SER 77 Cb 0.42 -0.28 0.74 0.00 -0.75 0.00 0.00 64.21 64.34 1ipp n SER 77 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1ipp n HIS 78 N -5.17 0.00 0.11 0.66 8.25 -1.26 -4.12 115.22 113.68 1ipp n HIS 78 Ca 0.06 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.57 1ipp n HIS 78 Cb 0.29 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1ipp n HIS 78 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1ipp h THR 79 N 0.83 0.45 -0.81 1.59 1.35 -1.72 -3.39 112.91 111.21 1ipp h THR 79 Ca 0.00 -1.74 0.17 0.00 -0.55 0.00 0.00 66.41 64.29 1ipp h THR 79 Cb 0.24 2.05 -0.11 0.00 -1.73 0.00 0.00 68.15 68.60 1ipp h THR 79 CO 0.00 0.26 0.32 0.58 -0.25 0.00 0.00 175.52 176.42 1ipp h VAL 80 N 0.00 0.58 -0.04 6.82 2.07 -1.72 -1.14 116.25 122.81 1ipp h VAL 80 Ca -0.06 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1ipp h VAL 80 Cb 1.32 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1ipp h VAL 80 CO 0.04 0.08 0.03 -0.65 0.02 0.00 0.00 177.57 177.09 1ipp h PRO 81 N 0.41 0.00 -0.68 1.57 0.11 -1.89 -2.85 132.00 128.66 1ipp h PRO 81 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1ipp h PRO 81 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1ipp h PRO 81 CO -0.46 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.52 1ipp n PHE 82 N -4.39 1.09 0.30 0.65 3.72 -0.44 -4.62 117.46 113.77 1ipp n PHE 82 Ca -0.02 -0.50 0.18 0.00 -0.05 0.00 0.00 57.45 57.06 1ipp n PHE 82 Cb 0.13 -0.08 0.90 0.00 -0.94 0.00 0.00 39.48 39.50 1ipp n PHE 82 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1ipp h LEU 83 N 4.00 0.00 -3.06 4.37 4.07 -1.47 -1.14 115.31 122.08 1ipp h LEU 83 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ipp h LEU 83 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1ipp h LEU 83 CO 0.07 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.61 1ipp n LEU 84 N -3.11 3.90 -4.73 1.67 4.32 -1.26 -4.98 117.00 112.81 1ipp n LEU 84 Ca -0.01 -2.40 -0.22 0.00 -0.02 0.00 0.00 56.01 53.35 1ipp n LEU 84 Cb 0.33 -0.45 -0.06 0.00 -1.62 0.00 0.00 43.42 41.62 1ipp n LEU 84 CO 0.18 0.76 -0.24 -1.61 -1.22 0.00 0.00 177.39 175.26 1ipp s GLU 85 N -1.74 2.57 0.52 3.23 0.41 -0.43 -5.08 118.70 118.18 1ipp s GLU 85 Ca 0.40 -1.28 -0.22 0.00 -0.41 0.00 0.00 54.97 53.45 1ipp s GLU 85 Cb 0.26 -2.34 -0.06 0.00 -1.78 0.00 0.00 34.13 30.21 1ipp s GLU 85 CO 0.19 0.34 1.36 -2.14 -0.49 0.00 0.00 175.26 174.51 1ipp s PRO 86 N -3.77 3.27 0.00 0.39 0.02 -1.26 -4.92 135.00 128.73 1ipp s PRO 86 Ca 0.33 2.24 0.24 0.00 0.02 0.00 0.00 61.00 63.84 1ipp s PRO 86 Cb -0.07 -2.34 0.39 0.00 0.02 0.00 0.00 34.50 32.50 1ipp s PRO 86 CO 0.22 -1.09 1.33 -0.40 -0.33 0.00 0.00 177.00 176.74 1ipp n ASP 87 N -0.85 1.15 -4.07 2.53 5.75 -1.26 -4.86 116.55 114.94 1ipp n ASP 87 Ca 0.09 -0.92 -0.08 0.00 -0.01 0.00 0.00 54.79 53.87 1ipp n ASP 87 Cb 0.45 0.36 -0.09 0.00 -1.03 0.00 0.00 41.12 40.80 1ipp n ASP 87 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ipp s ASN 88 N -2.67 0.36 -0.22 -1.12 6.03 -1.26 0.46 114.94 116.52 1ipp s ASN 88 Ca 0.18 -1.00 -0.11 0.00 -1.03 0.00 0.00 52.86 50.89 1ipp s ASN 88 Cb 0.18 0.26 0.08 0.00 -3.03 0.00 0.00 41.25 38.74 1ipp s ASN 88 CO 0.62 -0.67 0.52 -0.51 -2.03 0.00 0.00 177.10 175.03 1ipp s ILE 89 N -3.95 -0.17 -1.32 0.54 1.10 0.18 -4.82 121.20 112.75 1ipp s ILE 89 Ca 0.12 0.06 -0.03 0.00 -0.51 0.00 0.00 60.65 60.29 1ipp s ILE 89 Cb 0.07 -0.78 0.02 0.00 0.15 0.00 0.00 42.46 41.92 1ipp s ILE 89 CO -0.06 0.03 0.25 0.59 -2.11 0.00 0.00 174.94 173.63 1ipp n ASN 90 N 4.51 -4.61 -0.01 4.50 5.03 -1.26 -0.11 115.26 123.31 1ipp n ASN 90 Ca -0.20 -0.08 -0.00 0.00 0.87 0.00 0.00 54.58 55.17 1ipp n ASN 90 Cb 0.55 -3.83 -0.00 0.00 -1.02 0.00 0.00 39.78 35.48 1ipp n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ipp n GLY 91 N -1.08 0.46 3.27 7.41 0.00 -1.26 -5.03 105.19 108.96 1ipp n GLY 91 Ca -0.12 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 1ipp n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ipp s LYS 92 N -0.84 2.42 0.35 1.61 1.02 0.84 -5.12 119.74 120.02 1ipp s LYS 92 Ca 0.00 -0.90 -0.28 0.00 0.02 0.00 0.00 55.97 54.81 1ipp s LYS 92 Cb 0.00 -2.11 -0.10 0.00 -0.52 0.00 0.00 37.83 35.10 1ipp s LYS 92 CO 0.00 0.41 1.35 -0.08 -0.92 0.00 0.00 175.35 176.12 1ipp s THR 93 N -0.25 2.54 0.08 2.17 -1.32 -1.26 0.47 115.64 118.07 1ipp s THR 93 Ca -0.01 0.54 -0.29 0.00 -1.21 0.00 0.00 61.69 60.72 1ipp s THR 93 Cb -0.13 -3.34 -0.05 0.00 -1.51 0.00 0.00 72.50 67.47 1ipp s THR 93 CO 0.03 0.13 0.92 0.00 -2.21 0.00 0.00 174.62 173.48 1ipp s THR 95 N 0.10 1.68 -0.27 0.00 -4.23 0.27 -4.86 115.64 108.33 1ipp s THR 95 Ca 0.45 -1.85 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 1ipp s THR 95 Cb -0.22 -1.75 -0.00 0.00 1.34 0.00 0.00 72.50 71.87 1ipp s THR 95 CO 0.28 -0.34 1.32 0.00 -0.54 0.00 0.00 174.62 175.34 1ipp s ALA 96 N -2.05 3.41 -0.25 3.99 0.00 -1.26 -2.30 121.76 123.31 1ipp s ALA 96 Ca 0.13 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 1ipp s ALA 96 Cb -0.06 -3.75 -0.02 0.00 0.00 0.00 0.00 23.12 19.29 1ipp s ALA 96 CO 0.05 -1.67 0.04 0.45 0.00 0.00 0.00 175.76 174.64 1ipp s SER 97 N 2.74 4.90 -0.49 0.00 0.15 -0.23 -4.97 113.70 115.80 1ipp s SER 97 Ca 0.57 -0.31 -0.28 0.00 0.70 0.00 0.00 55.95 56.63 1ipp s SER 97 Cb -0.18 -1.87 0.03 0.00 -1.71 0.00 0.00 66.02 62.29 1ipp s SER 97 CO 0.22 -0.05 1.10 -1.00 1.20 0.00 0.00 173.24 174.71 1ipp s HIS 98 N 1.57 2.81 -0.21 3.44 3.76 -1.26 -1.44 115.29 123.95 1ipp s HIS 98 Ca 0.06 0.59 0.28 0.00 -0.15 0.00 0.00 55.06 55.84 1ipp s HIS 98 Cb -0.15 -4.35 1.16 0.00 1.11 0.00 0.00 32.58 30.35 1ipp s HIS 98 CO 0.02 -1.28 1.84 -0.07 -0.85 0.00 0.00 174.74 174.40 1ipp h LEU 99 N 11.17 0.00 0.00 0.89 4.07 -1.51 -1.93 115.31 128.00 1ipp h LEU 99 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1ipp h LEU 99 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1ipp h LEU 99 CO 1.11 0.00 -1.55 0.00 -1.08 0.00 0.00 178.44 176.92 1ipp n HIS 101 N -2.04 -0.54 -3.76 0.00 8.25 -0.73 -4.97 115.22 111.42 1ipp n HIS 101 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 1ipp n HIS 101 Cb 0.49 -3.19 -0.11 0.00 1.12 0.00 0.00 29.99 28.29 1ipp n HIS 101 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1ipp s ASN 102 N -2.43 5.28 0.25 0.41 2.47 -1.26 -5.00 114.94 114.66 1ipp s ASN 102 Ca 0.00 -2.04 -0.04 0.00 0.42 0.00 0.00 52.86 51.21 1ipp s ASN 102 Cb 0.00 -1.84 0.42 0.00 -1.45 0.00 0.00 41.25 38.38 1ipp s ASN 102 CO 0.00 -0.55 1.80 0.74 -3.72 0.00 0.00 177.10 175.37 1ipp h THR 103 N 6.33 0.88 0.00 -5.21 2.02 -1.98 -1.78 112.91 113.18 1ipp h THR 103 Ca -0.13 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1ipp h THR 103 Cb 1.05 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1ipp h THR 103 CO 0.71 0.14 0.00 0.03 0.37 0.00 0.00 175.52 176.77 1ipp h ARG 104 N 0.76 0.00 -6.58 6.66 3.08 -1.93 -3.44 114.38 112.94 1ipp h ARG 104 Ca 0.41 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.93 1ipp h ARG 104 Cb 0.42 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.49 1ipp h ARG 104 CO -0.27 0.00 0.65 0.00 -1.07 0.00 0.00 179.97 179.28 1ipp n HIS 106 N 3.46 0.18 -1.96 0.00 8.25 0.47 -4.95 115.22 120.66 1ipp n HIS 106 Ca 0.09 -0.61 -0.43 0.00 -0.26 0.00 0.00 57.72 56.51 1ipp n HIS 106 Cb 0.44 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 1ipp n HIS 106 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1ipp s ASN 107 N -1.38 5.89 0.13 0.41 3.84 -1.25 -4.86 114.94 117.72 1ipp s ASN 107 Ca 0.14 1.41 0.15 0.00 0.21 0.00 0.00 52.86 54.77 1ipp s ASN 107 Cb 0.10 -2.52 0.68 0.00 -0.55 0.00 0.00 41.25 38.95 1ipp s ASN 107 CO 0.05 -1.69 1.46 -0.81 -2.79 0.00 0.00 177.10 173.31 1ipp n PRO 108 N 8.40 0.08 0.00 0.43 -0.04 -1.26 -1.67 135.00 140.94 1ipp n PRO 108 Ca 0.23 0.43 0.15 0.00 -0.04 0.00 0.00 63.50 64.27 1ipp n PRO 108 Cb 0.46 -1.69 0.69 0.00 -0.04 0.00 0.00 33.50 32.93 1ipp n PRO 108 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ipp n LEU 109 N -1.84 0.36 -0.09 1.53 4.77 -1.26 -3.20 117.00 117.27 1ipp n LEU 109 Ca 0.01 0.03 0.09 0.00 -0.03 0.00 0.00 56.01 56.11 1ipp n LEU 109 Cb 0.12 -0.16 0.13 0.00 -2.33 0.00 0.00 43.42 41.18 1ipp n LEU 109 CO 0.11 0.06 0.57 1.41 -1.33 0.00 0.00 177.39 178.21 1ipp n HIS 110 N -0.96 0.03 -4.34 -1.77 8.25 -0.67 -5.03 115.22 110.74 1ipp n HIS 110 Ca 0.16 -0.94 -0.19 0.00 -0.26 0.00 0.00 57.72 56.49 1ipp n HIS 110 Cb 0.25 -0.14 -0.13 0.00 1.12 0.00 0.00 29.99 31.08 1ipp n HIS 110 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ipp s LEU 111 N -2.68 2.15 0.28 2.41 1.43 -1.19 -1.15 118.68 119.93 1ipp s LEU 111 Ca 0.29 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1ipp s LEU 111 Cb 0.25 -0.55 -0.06 0.00 0.03 0.00 0.00 46.19 45.87 1ipp s LEU 111 CO 0.03 0.03 0.08 0.00 0.23 0.00 0.00 176.35 176.72 1ipp s TRP 113 N -3.61 2.37 0.37 0.00 -0.00 -1.26 -1.07 118.94 115.74 1ipp s TRP 113 Ca 0.37 -1.92 -0.07 0.00 -0.00 0.00 0.00 56.10 54.49 1ipp s TRP 113 Cb 0.08 -1.82 0.02 0.00 -0.00 0.00 0.00 33.47 31.75 1ipp s TRP 113 CO 0.14 -0.82 0.60 -1.83 -0.00 0.00 0.00 176.95 175.05 1ipp s GLU 114 N 1.40 2.06 0.80 5.86 -1.05 -0.97 -4.84 118.70 121.95 1ipp s GLU 114 Ca 0.02 -1.65 -0.13 0.00 -0.15 0.00 0.00 54.97 53.06 1ipp s GLU 114 Cb -0.18 0.52 0.08 0.00 -0.44 0.00 0.00 34.13 34.10 1ipp s GLU 114 CO -0.12 -0.90 1.19 -1.54 0.95 0.00 0.00 175.26 174.84 1ipp s SER 115 N -3.18 3.71 0.36 0.83 1.04 -1.26 0.94 113.70 116.14 1ipp s SER 115 Ca 0.25 2.31 0.08 0.00 0.48 0.00 0.00 55.95 59.07 1ipp s SER 115 Cb -0.02 -2.58 0.80 0.00 0.10 0.00 0.00 66.02 64.32 1ipp s SER 115 CO 0.17 -2.59 1.90 0.25 0.98 0.00 0.00 173.24 173.95 1ipp h LEU 116 N -0.89 0.65 -0.16 2.42 6.46 -1.94 -0.51 115.31 121.34 1ipp h LEU 116 Ca -0.46 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 1ipp h LEU 116 Cb 1.29 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 1ipp h LEU 116 CO 0.47 0.36 0.06 0.44 -0.62 0.00 0.00 178.44 179.15 1ipp h ASP 117 N 0.70 0.23 -0.42 1.25 3.32 -1.95 0.34 116.42 119.88 1ipp h ASP 117 Ca 0.41 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1ipp h ASP 117 Cb 0.60 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1ipp h ASP 117 CO -0.17 0.33 0.15 0.44 -1.72 0.00 0.00 179.24 178.27 1ipp h ASP 118 N 0.11 0.61 0.36 6.45 3.32 -1.85 0.30 116.42 125.71 1ipp h ASP 118 Ca 0.05 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1ipp h ASP 118 Cb 0.18 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1ipp h ASP 118 CO -0.00 0.64 -0.47 -1.13 -1.72 0.00 0.00 179.24 176.55 1ipp h ASN 119 N 0.54 -1.34 -0.11 6.45 -0.73 -0.93 -2.84 115.58 116.63 1ipp h ASN 119 Ca 0.14 0.12 0.02 0.00 1.87 0.00 0.00 56.30 58.44 1ipp h ASN 119 Cb 0.24 0.46 -0.02 0.00 0.27 0.00 0.00 38.32 39.27 1ipp h ASN 119 CO -0.01 -0.58 -0.00 0.11 -0.37 0.00 0.00 177.43 176.58 1ipp h LYS 120 N -0.86 0.04 -1.17 6.67 1.57 -0.17 -2.40 116.57 120.26 1ipp h LYS 120 Ca -0.04 -0.00 0.33 0.00 -1.87 0.00 0.00 60.65 59.07 1ipp h LYS 120 Cb 0.77 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.02 1ipp h LYS 120 CO -0.12 0.02 0.82 0.78 -0.57 0.00 0.00 179.45 180.39 1ipp h GLY 121 N 0.04 0.21 2.00 3.86 0.00 -0.34 -0.72 103.07 108.12 1ipp h GLY 121 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1ipp h GLY 121 CO -0.09 -0.03 0.00 3.21 0.00 0.00 0.00 176.54 179.63 1ipp h ARG 122 N 0.06 0.00 0.00 4.80 3.08 -1.18 -1.85 114.38 119.29 1ipp h ARG 122 Ca 0.57 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.58 1ipp h ARG 122 Cb 2.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.20 1ipp h ARG 122 CO -0.06 0.00 -0.21 -0.91 -1.07 0.00 0.00 179.97 177.72 1ipp h ASN 123 N 0.00 0.00 -0.17 7.04 2.35 -1.30 -3.08 115.58 120.42 1ipp h ASN 123 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ipp h ASN 123 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1ipp h ASN 123 CO 0.00 0.21 0.00 0.79 -1.65 0.00 0.00 177.43 176.78 1ipp n TRP 124 N -3.87 0.21 -2.06 1.19 8.01 -0.70 -0.84 117.44 119.38 1ipp n TRP 124 Ca -0.02 -0.15 -0.36 0.00 -1.31 0.00 0.00 57.50 55.66 1ipp n TRP 124 Cb 0.31 -0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.63 1ipp n TRP 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ipp n PRO 126 N -1.39 0.06 0.00 0.00 -0.04 -1.26 -4.13 135.00 128.24 1ipp n PRO 126 Ca 0.12 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1ipp n PRO 126 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1ipp n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ipp n GLY 127 N 0.49 1.74 0.21 0.55 0.00 -1.18 -3.79 105.19 103.21 1ipp n GLY 127 Ca 0.06 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.26 1ipp n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ipp h PRO 128 N 0.00 0.00 -0.05 1.61 0.13 -1.55 -1.36 132.00 130.78 1ipp h PRO 128 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ipp h PRO 128 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ipp h PRO 128 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 1ipp n ASN 129 N -2.47 1.87 -0.02 1.44 3.02 0.06 -4.66 115.26 114.51 1ipp n ASN 129 Ca -0.02 -1.71 0.00 0.00 -0.03 0.00 0.00 54.58 52.83 1ipp n ASN 129 Cb 0.05 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1ipp n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ipp n GLY 130 N -0.16 2.05 0.00 7.41 0.00 -0.95 -3.18 105.19 110.37 1ipp n GLY 130 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ipp n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ipp n GLY 131 N -0.37 0.44 3.66 -0.02 0.00 -1.19 -4.74 105.19 102.98 1ipp n GLY 131 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.43 1ipp n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipp n VAL 133 N 3.41 0.67 -1.87 0.00 0.24 -1.26 -4.95 118.33 114.57 1ipp n VAL 133 Ca 0.25 -0.83 -0.42 0.00 -2.04 0.00 0.00 64.34 61.29 1ipp n VAL 133 Cb 0.08 0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 33.16 1ipp n VAL 133 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1ipp s HIS 134 N -0.94 2.98 0.19 6.34 3.76 -1.26 -4.90 115.29 121.46 1ipp s HIS 134 Ca 0.18 0.61 -0.11 0.00 -0.15 0.00 0.00 55.06 55.58 1ipp s HIS 134 Cb 0.10 -3.99 0.22 0.00 1.11 0.00 0.00 32.58 30.01 1ipp s HIS 134 CO 0.14 -3.61 1.75 0.00 -0.85 0.00 0.00 174.74 172.17 1ipp h ALA 135 N 6.38 0.70 -1.97 -1.40 0.00 -2.05 -3.15 119.26 117.78 1ipp h ALA 135 Ca -0.44 0.07 -0.70 0.00 0.00 0.00 0.00 54.91 53.84 1ipp h ALA 135 Cb 1.21 0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.83 1ipp h ALA 135 CO 0.90 -0.18 0.21 0.08 0.00 0.00 0.00 179.25 180.25 1ipp s VAL 136 N -6.11 4.85 0.50 0.00 1.01 -1.26 -5.03 120.40 114.36 1ipp s VAL 136 Ca -0.13 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.49 1ipp s VAL 136 Cb 0.16 -4.53 -0.08 0.00 0.00 0.00 0.00 36.38 31.93 1ipp s VAL 136 CO 0.74 -1.18 1.04 0.55 0.00 0.00 0.00 175.10 176.26 1ipp n VAL 137 N 5.43 3.03 -2.66 2.92 3.14 -1.19 -5.02 118.33 123.99 1ipp n VAL 137 Ca -0.04 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.48 1ipp n VAL 137 Cb 0.44 -1.24 -0.05 0.00 -1.06 0.00 0.00 33.84 31.92 1ipp n VAL 137 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ipp h LEU 139 N 2.52 0.00 -8.69 0.00 3.38 -1.96 -3.34 115.31 107.21 1ipp h LEU 139 Ca -0.48 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.15 1ipp h LEU 139 Cb 1.20 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.83 1ipp h LEU 139 CO 0.63 0.26 -0.41 0.00 0.09 0.00 0.00 178.44 179.00 1ipp s ARG 140 N -3.14 1.66 0.05 1.13 1.04 -1.25 -4.83 118.95 113.60 1ipp s ARG 140 Ca 0.00 -1.81 -0.22 0.00 -1.04 0.00 0.00 55.73 52.66 1ipp s ARG 140 Cb 0.08 0.35 -0.14 0.00 -2.04 0.00 0.00 34.95 33.21 1ipp s ARG 140 CO 0.78 -0.63 1.48 0.37 -0.04 0.00 0.00 175.30 177.25 1ipp h GLN 141 N 2.25 0.20 0.00 3.89 4.15 0.19 -3.36 115.11 122.43 1ipp h GLN 141 Ca -0.28 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.07 1ipp h GLN 141 Cb 1.24 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1ipp h GLN 141 CO 0.41 0.45 0.00 0.41 -1.93 0.00 0.00 178.83 178.16 1ipp n GLY 142 N -0.28 2.22 0.38 2.39 0.00 -1.26 -3.12 105.19 105.51 1ipp n GLY 142 Ca -0.06 -0.91 0.30 0.00 0.00 0.00 0.00 46.02 45.35 1ipp n GLY 142 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ipp h PRO 143 N 0.00 0.17 0.00 1.61 0.11 -1.85 -2.27 132.00 129.78 1ipp h PRO 143 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1ipp h PRO 143 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 1ipp h PRO 143 CO 0.00 0.12 -0.65 -0.07 -0.21 0.00 0.00 178.00 177.19 1ipp h LEU 144 N 0.18 0.00 -9.62 2.35 4.07 -1.36 -3.47 115.31 107.46 1ipp h LEU 144 Ca 0.78 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 58.16 1ipp h LEU 144 Cb 2.10 0.00 0.16 0.00 1.08 0.00 0.00 40.66 44.00 1ipp h LEU 144 CO -0.55 0.06 -0.18 0.00 -1.08 0.00 0.00 178.44 176.70 1ipp n TYR 145 N -2.87 -0.03 -0.61 1.13 4.19 -0.85 -4.88 117.16 113.24 1ipp n TYR 145 Ca 0.01 0.45 0.00 0.00 3.31 0.00 0.00 57.90 61.67 1ipp n TYR 145 Cb 0.57 -2.04 0.00 0.00 0.49 0.00 0.00 39.34 38.36 1ipp n TYR 145 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ipp n GLY 146 N 1.57 0.31 0.22 2.98 0.00 -1.26 -4.91 105.19 104.09 1ipp n GLY 146 Ca 0.12 -1.77 0.15 0.00 0.00 0.00 0.00 46.02 44.52 1ipp n GLY 146 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ipp h PRO 147 N 5.56 0.00 0.00 1.61 0.11 -2.04 -3.49 132.00 133.75 1ipp h PRO 147 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1ipp h PRO 147 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1ipp h PRO 147 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 1ipp n GLY 148 N 0.35 -2.21 2.60 -0.55 0.00 -1.26 -4.80 105.19 99.33 1ipp n GLY 148 Ca 0.02 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1ipp n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipp n ALA 149 N -0.02 3.06 -1.88 4.61 0.00 -1.26 -5.11 120.51 119.92 1ipp n ALA 149 Ca 0.00 -3.03 -0.42 0.00 0.00 0.00 0.00 53.44 49.99 1ipp n ALA 149 Cb 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1ipp n ALA 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ipp s THR 150 N -2.79 2.67 0.09 0.00 2.01 -1.26 -4.92 115.64 111.45 1ipp s THR 150 Ca 0.28 0.36 -0.08 0.00 0.31 0.00 0.00 61.69 62.56 1ipp s THR 150 Cb 0.44 -3.23 -0.24 0.00 0.01 0.00 0.00 72.50 69.49 1ipp s THR 150 CO 0.02 0.01 1.21 0.58 -0.69 0.00 0.00 174.62 175.75 1ipp h VAL 151 N 4.34 1.38 -2.64 3.82 2.07 -2.03 -3.46 116.25 119.73 1ipp h VAL 151 Ca -0.43 -2.58 -0.11 0.00 0.82 0.00 0.00 66.70 64.40 1ipp h VAL 151 Cb 1.20 2.61 -0.26 0.00 -1.52 0.00 0.00 31.29 33.33 1ipp h VAL 151 CO 0.93 0.77 -0.26 0.00 0.02 0.00 0.00 177.57 179.03 1ipp s ALA 152 N -3.06 -1.08 0.21 1.67 0.00 -1.26 -5.18 121.76 113.07 1ipp s ALA 152 Ca -0.07 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1ipp s ALA 152 Cb 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1ipp s ALA 152 CO 0.89 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.81 1ipp n GLY 153 N 3.86 1.30 3.66 0.00 0.00 -1.26 -5.03 105.19 107.71 1ipp n GLY 153 Ca -0.20 -2.01 -0.47 0.00 0.00 0.00 0.00 46.02 43.34 1ipp n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ipp n PRO 154 N -0.72 1.96 -3.72 1.61 -0.02 -1.26 -5.00 135.00 127.84 1ipp n PRO 154 Ca 0.00 0.70 -0.14 0.00 -2.02 0.00 0.00 63.50 62.05 1ipp n PRO 154 Cb 0.00 -2.43 -0.09 0.00 -0.02 0.00 0.00 33.50 30.96 1ipp n PRO 154 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ipp s GLN 155 N 0.62 0.66 -0.01 -0.52 -0.21 -1.26 -5.16 119.66 113.77 1ipp s GLN 155 Ca 0.78 0.12 -0.12 0.00 0.02 0.00 0.00 55.36 56.16 1ipp s GLN 155 Cb -0.72 0.30 0.02 0.00 1.00 0.00 0.00 33.01 33.61 1ipp s GLN 155 CO 0.41 -0.16 0.26 1.14 -2.12 0.00 0.00 175.29 174.82 1ipp s GLN 156 N -0.79 0.60 -0.01 2.91 -2.07 -1.26 -5.07 119.66 113.97 1ipp s GLN 156 Ca -0.09 -0.23 0.22 0.00 -1.82 0.00 0.00 55.36 53.44 1ipp s GLN 156 Cb -0.04 0.26 -0.28 0.00 -1.09 0.00 0.00 33.01 31.87 1ipp s GLN 156 CO 0.04 -0.16 0.54 0.54 -1.32 0.00 0.00 175.29 174.93 1ipp n ARG 157 N 1.41 0.65 0.00 9.60 1.74 -1.26 -5.00 116.66 123.80 1ipp n ARG 157 Ca -0.22 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 1ipp n ARG 157 Cb 0.56 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1ipp n ARG 157 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ipp n GLY 158 N 1.29 3.21 1.18 -0.13 0.00 -1.26 -5.06 105.19 104.43 1ipp n GLY 158 Ca -0.06 -1.41 0.01 0.00 0.00 0.00 0.00 46.02 44.56 1ipp n GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ipp n SER 159 N 0.00 0.34 0.19 1.61 7.64 -1.26 -4.85 113.62 117.29 1ipp n SER 159 Ca 0.00 -1.94 0.07 0.00 1.01 0.00 0.00 58.87 58.01 1ipp n SER 159 Cb 0.00 -0.13 0.24 0.00 -1.01 0.00 0.00 64.21 63.31 1ipp n SER 159 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1ipp h HIS 160 N 0.57 0.00 -1.96 1.43 3.86 -2.01 -3.46 115.15 113.57 1ipp h HIS 160 Ca -0.26 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.40 1ipp h HIS 160 Cb 1.66 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 30.05 1ipp h HIS 160 CO 0.06 0.31 -0.57 -0.06 0.86 0.00 0.00 177.93 178.53 1ipp s PHE 161 N -3.30 2.71 -0.23 2.45 0.08 -1.26 -5.13 117.98 113.30 1ipp s PHE 161 Ca 0.03 -0.34 -0.16 0.00 0.12 0.00 0.00 56.93 56.57 1ipp s PHE 161 Cb 0.08 -1.53 0.07 0.00 -0.57 0.00 0.00 43.02 41.07 1ipp s PHE 161 CO 0.69 0.41 0.58 0.54 -0.10 0.00 0.00 175.22 177.34 1ipp s VAL 162 N -2.40 -0.01 -1.44 -0.44 0.11 -1.26 -5.13 120.40 109.83 1ipp s VAL 162 Ca 0.36 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 1ipp s VAL 162 Cb -0.03 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 1ipp s VAL 162 CO 0.22 0.01 0.36 1.33 -3.33 0.00 0.00 175.10 173.69