#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 0.84 -4.85 0.00 4.32 -1.26 -5.04 117.00 111.01 1ipp n LEU 3 Ca 0.00 0.11 -0.31 0.00 -0.02 0.00 0.00 56.01 55.79 1ipp n LEU 3 Cb 0.00 -0.26 0.02 0.00 -1.62 0.00 0.00 43.42 41.57 1ipp n LEU 3 CO 0.00 -0.54 0.72 0.42 -1.22 0.00 0.00 177.39 176.77 1ipp s THR 4 N -2.02 4.45 0.26 -5.08 -4.23 -1.26 -4.94 115.64 102.83 1ipp s THR 4 Ca -0.01 0.80 -0.04 0.00 -1.18 0.00 0.00 61.69 61.26 1ipp s THR 4 Cb 0.00 -3.69 0.24 0.00 1.34 0.00 0.00 72.50 70.39 1ipp s THR 4 CO 0.01 -1.04 1.92 -1.13 -0.54 0.00 0.00 174.62 173.84 1ipp h ASN 5 N -0.45 1.06 -0.76 3.99 -1.24 -1.99 -2.05 115.58 114.13 1ipp h ASN 5 Ca -0.44 -0.05 -0.05 0.00 0.71 0.00 0.00 56.30 56.47 1ipp h ASN 5 Cb 1.20 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.95 1ipp h ASN 5 CO 0.60 0.80 0.30 0.00 -1.29 0.00 0.00 177.43 177.84 1ipp h ALA 6 N 1.38 0.99 -0.39 1.57 0.00 -1.99 -1.74 119.26 119.08 1ipp h ALA 6 Ca 0.32 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1ipp h ALA 6 Cb -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1ipp h ALA 6 CO -0.06 0.63 -0.08 1.96 0.00 0.00 0.00 179.25 181.69 1ipp h GLN 7 N 1.11 0.67 -0.13 0.00 4.20 -1.81 -2.33 115.11 116.81 1ipp h GLN 7 Ca 0.25 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 1ipp h GLN 7 Cb 0.23 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 1ipp h GLN 7 CO -0.02 0.74 -0.15 0.82 -0.67 0.00 0.00 178.83 179.56 1ipp h ILE 8 N 0.62 1.36 -0.51 2.54 1.08 -1.15 -2.01 117.51 119.44 1ipp h ILE 8 Ca 0.11 -1.33 0.04 0.00 -0.39 0.00 0.00 64.86 63.30 1ipp h ILE 8 Cb 0.50 1.93 -0.03 0.00 -3.07 0.00 0.00 36.82 36.15 1ipp h ILE 8 CO 0.03 0.39 0.34 -0.07 -0.69 0.00 0.00 178.15 178.14 1ipp h LEU 9 N -0.05 0.46 -0.41 1.44 3.38 -1.28 0.30 115.31 119.16 1ipp h LEU 9 Ca 0.02 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1ipp h LEU 9 Cb 0.69 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1ipp h LEU 9 CO 0.04 0.31 -0.37 0.00 0.09 0.00 0.00 178.44 178.50 1ipp h ALA 10 N 1.71 0.59 -0.51 1.53 0.00 -1.30 -0.15 119.26 121.14 1ipp h ALA 10 Ca 0.21 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1ipp h ALA 10 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ipp h ALA 10 CO -0.06 0.68 -0.00 0.28 0.00 0.00 0.00 179.25 180.15 1ipp h VAL 11 N 0.77 1.26 -0.46 0.00 2.07 -0.50 -1.44 116.25 117.95 1ipp h VAL 11 Ca 0.06 -1.09 -0.14 0.00 0.82 0.00 0.00 66.70 66.35 1ipp h VAL 11 Cb 0.97 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1ipp h VAL 11 CO 0.09 0.38 -0.25 0.40 0.02 0.00 0.00 177.57 178.22 1ipp h ILE 12 N 0.76 1.27 -0.59 4.57 2.04 -0.32 -2.20 117.51 123.05 1ipp h ILE 12 Ca 0.14 -1.42 -0.09 0.00 1.00 0.00 0.00 64.86 64.49 1ipp h ILE 12 Cb 0.53 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1ipp h ILE 12 CO 0.03 0.49 0.00 0.44 0.00 0.00 0.00 178.15 179.10 1ipp h ASP 13 N 0.83 1.00 0.01 1.72 3.32 -0.90 -0.73 116.42 121.66 1ipp h ASP 13 Ca 0.10 -0.28 -0.18 0.00 0.02 0.00 0.00 57.03 56.70 1ipp h ASP 13 Cb 0.84 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1ipp h ASP 13 CO 0.07 1.05 -0.62 0.77 -1.72 0.00 0.00 179.24 178.79 1ipp h SER 14 N 0.93 0.68 0.05 6.45 4.64 -1.28 -2.10 113.55 122.92 1ipp h SER 14 Ca 0.17 -0.39 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1ipp h SER 14 Cb 0.54 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1ipp h SER 14 CO 0.03 1.13 -0.03 -0.25 -0.87 0.00 0.00 176.83 176.84 1ipp h TRP 15 N 0.44 -0.07 -0.88 4.77 7.01 -1.27 -1.82 115.95 124.14 1ipp h TRP 15 Ca -0.01 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.04 1ipp h TRP 15 Cb 1.19 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 28.21 1ipp h TRP 15 CO 0.05 0.21 0.58 0.93 -2.79 0.00 0.00 178.44 177.42 1ipp h GLU 16 N -0.34 1.02 -0.31 2.65 5.08 -1.11 -0.30 114.58 121.26 1ipp h GLU 16 Ca -0.01 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 1ipp h GLU 16 Cb 0.30 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1ipp h GLU 16 CO 0.01 0.67 -0.39 1.49 -1.00 0.00 0.00 179.01 179.80 1ipp h GLU 17 N 1.05 0.81 -0.28 2.33 4.81 -1.27 0.25 114.58 122.30 1ipp h GLU 17 Ca 0.36 -0.46 -0.16 0.00 -0.13 0.00 0.00 59.36 58.98 1ipp h GLU 17 Cb 0.11 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1ipp h GLU 17 CO -0.12 1.09 -0.44 0.00 -0.73 0.00 0.00 179.01 178.81 1ipp h THR 18 N 0.59 1.29 -0.26 0.32 1.03 -1.03 -3.12 112.91 111.73 1ipp h THR 18 Ca 0.04 -1.63 -0.07 0.00 -0.01 0.00 0.00 66.41 64.74 1ipp h THR 18 Cb 0.98 1.65 -0.01 0.00 -1.07 0.00 0.00 68.15 69.70 1ipp h THR 18 CO 0.09 0.53 -0.15 0.58 -0.01 0.00 0.00 175.52 176.56 1ipp h VAL 19 N 0.54 1.23 0.00 0.00 2.07 -1.06 -2.00 116.25 117.03 1ipp h VAL 19 Ca 0.02 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1ipp h VAL 19 Cb 1.04 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1ipp h VAL 19 CO 0.10 0.33 0.00 1.23 0.02 0.00 0.00 177.57 179.25 1ipp h GLY 20 N 0.91 0.00 -1.92 2.17 0.00 -0.42 -1.30 103.07 102.52 1ipp h GLY 20 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ipp h GLY 20 CO 0.03 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.51 1ipp n GLN 21 N -3.03 2.18 -2.25 4.80 6.02 -0.75 -4.94 117.38 119.41 1ipp n GLN 21 Ca -0.03 -1.99 -0.40 0.00 -0.01 0.00 0.00 57.00 54.57 1ipp n GLN 21 Cb 0.07 -1.44 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.54 3.17 0.30 1.08 0.08 -0.49 -4.93 117.98 115.64 1ipp s PHE 22 Ca 0.30 1.53 -0.28 0.00 0.12 0.00 0.00 56.93 58.60 1ipp s PHE 22 Cb 0.19 -3.50 -0.13 0.00 -0.57 0.00 0.00 43.02 39.01 1ipp s PHE 22 CO 0.28 -1.39 1.17 -2.30 -0.10 0.00 0.00 175.22 172.87 1ipp n PRO 23 N 0.64 1.72 -3.46 0.24 -0.02 -1.25 -4.62 135.00 128.25 1ipp n PRO 23 Ca 0.01 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 1ipp n PRO 23 Cb 0.44 -2.09 -0.09 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.95 4.95 -0.18 -1.45 1.01 -1.26 -2.36 120.40 120.16 1ipp s VAL 24 Ca 0.59 -1.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 1ipp s VAL 24 Cb -0.65 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 31.75 1ipp s VAL 24 CO 0.60 -0.50 0.27 -0.63 0.00 0.00 0.00 175.10 174.84 1ipp s ILE 25 N 1.59 5.31 -0.04 2.22 -1.09 -0.61 -4.89 121.20 123.69 1ipp s ILE 25 Ca 0.04 0.48 -0.25 0.00 -2.23 0.00 0.00 60.65 58.68 1ipp s ILE 25 Cb -0.23 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 1ipp s ILE 25 CO 0.06 0.37 0.78 -0.89 -1.23 0.00 0.00 174.94 174.02 1ipp s THR 26 N 0.68 4.99 -0.06 2.92 2.01 -1.26 -1.23 115.64 123.69 1ipp s THR 26 Ca 0.15 1.61 0.04 0.00 0.31 0.00 0.00 61.69 63.79 1ipp s THR 26 Cb -0.13 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1ipp s THR 26 CO 0.04 0.23 -0.17 -1.00 -0.69 0.00 0.00 174.62 173.03 1ipp s HIS 27 N 0.82 1.76 -0.31 4.92 3.76 0.45 -4.98 115.29 121.71 1ipp s HIS 27 Ca 0.41 -0.59 -0.11 0.00 -0.15 0.00 0.00 55.06 54.62 1ipp s HIS 27 Cb -0.19 -1.21 -0.02 0.00 1.11 0.00 0.00 32.58 32.27 1ipp s HIS 27 CO 0.21 -0.24 0.20 -1.01 -0.85 0.00 0.00 174.74 173.05 1ipp s HIS 28 N 0.28 3.21 0.26 1.40 3.76 -1.26 -0.28 115.29 122.65 1ipp s HIS 28 Ca -0.09 -0.21 0.09 0.00 -0.15 0.00 0.00 55.06 54.69 1ipp s HIS 28 Cb -0.14 -2.41 -0.05 0.00 1.11 0.00 0.00 32.58 31.09 1ipp s HIS 28 CO 0.04 -0.33 -0.14 0.14 -0.85 0.00 0.00 174.74 173.60 1ipp s VAL 29 N 1.70 2.01 0.19 -0.90 -7.23 -0.58 -4.95 120.40 110.64 1ipp s VAL 29 Ca 0.06 -2.26 -0.30 0.00 -1.81 0.00 0.00 61.98 57.67 1ipp s VAL 29 Cb -0.17 -2.26 -0.08 0.00 0.56 0.00 0.00 36.38 34.44 1ipp s VAL 29 CO 0.09 -0.44 1.11 -2.16 -0.31 0.00 0.00 175.10 173.39 1ipp s PRO 30 N -3.61 4.59 -0.01 4.82 0.04 -1.26 -1.53 135.00 138.03 1ipp s PRO 30 Ca 0.27 1.74 0.18 0.00 0.04 0.00 0.00 61.00 63.24 1ipp s PRO 30 Cb -0.01 -3.26 -0.23 0.00 0.04 0.00 0.00 34.50 31.04 1ipp s PRO 30 CO 0.11 0.07 0.68 1.28 0.04 0.00 0.00 177.00 179.19 1ipp n LEU 31 N 2.26 0.63 0.00 -3.56 4.77 -0.03 -0.34 117.00 120.72 1ipp n LEU 31 Ca 0.02 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1ipp n LEU 31 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1ipp n LEU 31 CO 0.54 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1ipp n GLY 32 N 1.43 0.94 2.45 -0.72 0.00 -1.24 -0.69 105.19 107.36 1ipp n GLY 32 Ca 0.02 -1.89 -0.18 0.00 0.00 0.00 0.00 46.02 43.97 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 1.23 0.95 2.41 -0.02 0.00 -0.94 -1.75 105.19 107.07 1ipp n GLY 33 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.87 0.43 3.95 -0.02 0.00 -1.26 -5.01 105.19 102.41 1ipp n GLY 34 Ca -0.19 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.39 4.30 0.03 0.99 1.43 -0.71 -5.02 118.68 119.30 1ipp s LEU 35 Ca 0.00 0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.37 1ipp s LEU 35 Cb 0.00 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1ipp s LEU 35 CO 0.00 -0.01 -0.21 -1.58 0.23 0.00 0.00 176.35 174.78 1ipp s GLN 36 N -3.47 1.49 0.35 1.70 0.74 -1.26 -0.85 119.66 118.37 1ipp s GLN 36 Ca 0.35 -0.89 0.04 0.00 0.05 0.00 0.00 55.36 54.91 1ipp s GLN 36 Cb -0.10 -1.56 -0.03 0.00 1.10 0.00 0.00 33.01 32.41 1ipp s GLN 36 CO 0.29 0.41 0.15 0.20 -0.55 0.00 0.00 175.29 175.79 1ipp s GLY 37 N -0.98 2.33 -0.05 2.59 0.00 -0.58 -4.88 107.32 105.74 1ipp s GLY 37 Ca 0.08 -1.59 0.02 0.00 0.00 0.00 0.00 44.72 43.22 1ipp s GLY 37 CO 0.01 -1.69 -0.08 -1.08 0.00 0.00 0.00 173.10 170.25 1ipp s THR 38 N -3.40 0.83 0.16 0.90 -1.32 -1.26 -1.52 115.64 110.03 1ipp s THR 38 Ca 0.31 -0.30 0.09 0.00 -1.21 0.00 0.00 61.69 60.58 1ipp s THR 38 Cb 0.04 -0.80 -0.04 0.00 -1.51 0.00 0.00 72.50 70.19 1ipp s THR 38 CO 0.17 0.29 -0.16 -0.76 -2.21 0.00 0.00 174.62 171.95 1ipp s LEU 39 N 0.78 2.75 -0.32 9.08 1.02 0.61 -4.96 118.68 127.63 1ipp s LEU 39 Ca -0.13 -0.63 0.02 0.00 0.02 0.00 0.00 54.13 53.40 1ipp s LEU 39 Cb -0.15 -1.51 0.08 0.00 0.02 0.00 0.00 46.19 44.64 1ipp s LEU 39 CO 0.02 0.14 0.02 -1.00 0.02 0.00 0.00 176.35 175.55 1ipp s HIS 40 N -1.48 3.54 -0.00 0.29 3.76 -1.26 -0.41 115.29 119.73 1ipp s HIS 40 Ca 0.21 -2.58 -0.15 0.00 -0.15 0.00 0.00 55.06 52.39 1ipp s HIS 40 Cb -0.09 -2.60 -0.06 0.00 1.11 0.00 0.00 32.58 30.94 1ipp s HIS 40 CO 0.12 -0.92 0.42 0.00 -0.85 0.00 0.00 174.74 173.52 1ipp s TYR 42 N -0.95 3.76 -0.11 0.00 1.51 -1.26 -1.57 117.35 118.72 1ipp s TYR 42 Ca 0.24 -2.51 -0.26 0.00 -1.01 0.00 0.00 57.07 53.53 1ipp s TYR 42 Cb -0.17 -3.53 -0.02 0.00 -0.11 0.00 0.00 41.96 38.13 1ipp s TYR 42 CO 0.13 -0.89 0.86 -1.21 -1.11 0.00 0.00 175.55 173.33 1ipp s GLU 43 N -0.41 4.38 0.37 -0.62 2.02 -1.00 -0.19 118.70 123.25 1ipp s GLU 43 Ca 0.21 1.12 -0.27 0.00 0.02 0.00 0.00 54.97 56.06 1ipp s GLU 43 Cb -0.13 -3.53 -0.09 0.00 0.10 0.00 0.00 34.13 30.49 1ipp s GLU 43 CO -0.08 -0.21 1.21 -1.50 0.02 0.00 0.00 175.26 174.70 1ipp s ILE 44 N 1.71 3.01 0.90 -1.63 2.07 -0.57 -3.78 121.20 122.91 1ipp s ILE 44 Ca 0.42 0.92 -0.12 0.00 -1.41 0.00 0.00 60.65 60.46 1ipp s ILE 44 Cb -0.18 -3.55 0.10 0.00 0.13 0.00 0.00 42.46 38.97 1ipp s ILE 44 CO 0.17 0.15 0.95 -2.65 -1.91 0.00 0.00 174.94 171.64 1ipp n PRO 45 N 0.42 -0.27 0.13 3.50 -0.02 -1.26 -4.93 135.00 132.57 1ipp n PRO 45 Ca 0.02 -0.01 -0.02 0.00 -2.02 0.00 0.00 63.50 61.47 1ipp n PRO 45 Cb 0.45 -2.24 0.19 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.56 0.06 -9.02 2.45 3.38 -1.94 -3.47 115.31 105.21 1ipp h LEU 46 Ca -0.44 -0.03 -0.42 0.00 0.09 0.00 0.00 57.88 57.08 1ipp h LEU 46 Cb 1.28 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.88 1ipp h LEU 46 CO 0.40 0.62 -0.56 0.00 0.09 0.00 0.00 178.44 178.99 1ipp s ALA 47 N -3.73 2.03 0.35 1.53 0.00 -1.26 -5.15 121.76 115.53 1ipp s ALA 47 Ca -0.02 -1.74 -0.25 0.00 0.00 0.00 0.00 51.96 49.95 1ipp s ALA 47 Cb 0.13 1.09 -0.10 0.00 0.00 0.00 0.00 23.12 24.24 1ipp s ALA 47 CO 0.76 -0.48 0.98 0.00 0.00 0.00 0.00 175.76 177.02 1ipp s ALA 48 N -3.57 3.16 0.34 0.00 0.00 -1.26 -4.21 121.76 116.21 1ipp s ALA 48 Ca 0.35 0.57 -0.26 0.00 0.00 0.00 0.00 51.96 52.62 1ipp s ALA 48 Cb 0.05 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.87 1ipp s ALA 48 CO 0.17 0.06 0.96 -1.25 0.00 0.00 0.00 175.76 175.69 1ipp s PRO 49 N -2.28 4.52 0.03 0.00 0.04 -1.26 -5.14 135.00 130.90 1ipp s PRO 49 Ca 0.53 1.33 0.17 0.00 0.04 0.00 0.00 61.00 63.08 1ipp s PRO 49 Cb -0.19 -2.74 -0.16 0.00 0.04 0.00 0.00 34.50 31.45 1ipp s PRO 49 CO 0.24 0.22 0.73 0.66 0.04 0.00 0.00 177.00 178.89 1ipp n TYR 50 N 0.42 0.86 0.00 0.56 4.01 -1.26 -4.78 117.16 116.98 1ipp n TYR 50 Ca 0.03 0.29 0.00 0.00 -0.16 0.00 0.00 57.90 58.06 1ipp n TYR 50 Cb 0.50 -1.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 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 1.43 4.62 3.09 2.72 0.00 -1.26 -4.50 105.19 111.28 1ipp n GLY 51 Ca -0.12 -1.15 -0.56 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.64 0.00 -0.63 1.61 0.31 -1.26 -0.21 118.33 116.50 1ipp n VAL 52 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ipp n VAL 52 Cb 0.00 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 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 4.16 0.81 3.61 2.92 0.00 -1.26 -4.96 105.19 110.47 1ipp n GLY 53 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.22 3.11 0.02 1.61 0.08 0.70 0.11 117.98 120.39 1ipp s PHE 54 Ca 0.00 0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.07 1ipp s PHE 54 Cb 0.00 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 1ipp s PHE 54 CO 0.00 0.26 -0.04 0.00 -0.10 0.00 0.00 175.22 175.34 1ipp s ALA 55 N -0.32 0.23 -0.20 5.36 0.00 -0.70 -4.50 121.76 121.63 1ipp s ALA 55 Ca 0.06 -0.50 -0.19 0.00 0.00 0.00 0.00 51.96 51.34 1ipp s ALA 55 Cb -0.12 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1ipp s ALA 55 CO 0.02 -0.08 0.53 0.21 0.00 0.00 0.00 175.76 176.44 1ipp s LYS 56 N -1.13 4.19 0.00 0.00 2.20 -1.26 -0.59 119.74 123.15 1ipp s LYS 56 Ca -0.10 0.43 0.15 0.00 -0.36 0.00 0.00 55.97 56.09 1ipp s LYS 56 Cb -0.08 -3.57 -0.13 0.00 -1.51 0.00 0.00 37.83 32.55 1ipp s LYS 56 CO -0.00 -0.16 0.70 0.27 -0.36 0.00 0.00 175.35 175.79 1ipp n ASN 57 N 4.84 0.94 -3.25 1.43 2.04 -0.37 -4.96 115.26 115.92 1ipp n ASN 57 Ca -0.04 -0.97 -0.09 0.00 -0.44 0.00 0.00 54.58 53.04 1ipp n ASN 57 Cb 0.50 0.87 0.01 0.00 -2.53 0.00 0.00 39.78 38.63 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 -2.31 0.30 0.26 4.83 0.00 -1.04 -4.96 107.32 104.40 1ipp s GLY 58 Ca 0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 44.72 44.11 1ipp s GLY 58 CO 0.57 -0.29 1.69 -2.55 0.00 0.00 0.00 173.10 172.53 1ipp h PRO 59 N 2.01 0.34 -0.55 2.90 0.11 -2.03 -2.92 132.00 131.86 1ipp h PRO 59 Ca -0.28 -0.02 -0.35 0.00 0.11 0.00 0.00 66.00 65.46 1ipp h PRO 59 Cb 1.25 -0.08 -0.41 0.00 0.11 0.00 0.00 31.00 31.87 1ipp h PRO 59 CO 0.35 0.22 -1.02 0.25 -0.21 0.00 0.00 178.00 177.59 1ipp n THR 60 N -5.09 1.69 -4.62 -1.15 -2.24 -1.26 -5.04 114.28 96.56 1ipp n THR 60 Ca 0.17 -3.36 -0.25 0.00 -2.27 0.00 0.00 64.05 58.34 1ipp n THR 60 Cb 0.53 0.48 -0.16 0.00 -2.10 0.00 0.00 70.33 69.07 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 -3.73 1.69 0.14 -0.78 1.81 -1.10 -4.93 118.95 112.04 1ipp s ARG 61 Ca 0.35 -0.44 0.03 0.00 -1.72 0.00 0.00 55.73 53.95 1ipp s ARG 61 Cb 0.35 -1.41 -0.04 0.00 -0.45 0.00 0.00 34.95 33.40 1ipp s ARG 61 CO -0.01 0.07 -0.06 -1.58 -0.68 0.00 0.00 175.30 173.03 1ipp s TRP 62 N 0.54 1.12 0.04 -0.53 0.51 -1.26 -1.23 118.94 118.13 1ipp s TRP 62 Ca -0.12 -0.89 0.03 0.00 -2.12 0.00 0.00 56.10 52.99 1ipp s TRP 62 Cb -0.15 -0.62 -0.02 0.00 -0.81 0.00 0.00 33.47 31.87 1ipp s TRP 62 CO 0.03 -0.08 -0.09 -0.65 -0.51 0.00 0.00 176.95 175.65 1ipp s GLN 63 N -3.83 0.60 -0.23 4.98 -0.21 0.24 -0.86 119.66 120.35 1ipp s GLN 63 Ca 0.17 -0.74 -0.05 0.00 0.02 0.00 0.00 55.36 54.76 1ipp s GLN 63 Cb 0.05 -0.44 -0.02 0.00 1.00 0.00 0.00 33.01 33.60 1ipp s GLN 63 CO -0.00 0.09 -0.00 -0.47 -2.12 0.00 0.00 175.29 172.79 1ipp s TYR 64 N -1.21 3.00 0.01 0.91 5.04 0.25 -1.72 117.35 123.63 1ipp s TYR 64 Ca -0.07 -0.73 0.01 0.00 -2.44 0.00 0.00 57.07 53.84 1ipp s TYR 64 Cb -0.09 -2.15 -0.04 0.00 0.35 0.00 0.00 41.96 40.03 1ipp s TYR 64 CO 0.01 -0.46 0.03 0.21 -1.34 0.00 0.00 175.55 174.00 1ipp s LYS 65 N 1.48 2.88 -0.19 4.97 2.20 0.12 -2.14 119.74 129.06 1ipp s LYS 65 Ca 0.06 -0.58 -0.09 0.00 -0.36 0.00 0.00 55.97 55.00 1ipp s LYS 65 Cb -0.15 -2.73 0.07 0.00 -1.51 0.00 0.00 37.83 33.52 1ipp s LYS 65 CO -0.01 0.63 0.44 1.03 -0.36 0.00 0.00 175.35 177.08 1ipp s ARG 66 N -1.70 0.39 -0.53 4.03 1.81 -0.89 -4.60 118.95 117.46 1ipp s ARG 66 Ca 0.21 0.93 -0.17 0.00 -1.72 0.00 0.00 55.73 54.98 1ipp s ARG 66 Cb -0.12 0.15 0.09 0.00 -0.45 0.00 0.00 34.95 34.62 1ipp s ARG 66 CO 0.12 -0.20 0.56 0.99 -0.68 0.00 0.00 175.30 176.10 1ipp s THR 67 N 1.93 5.02 0.00 0.02 2.01 -1.26 -0.68 115.64 122.68 1ipp s THR 67 Ca -0.06 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 60.97 1ipp s THR 67 Cb -0.10 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.10 1ipp s THR 67 CO -0.13 -0.84 0.05 -0.38 -0.69 0.00 0.00 174.62 172.62 1ipp n ILE 68 N 5.42 0.00 -2.84 1.82 -0.00 -0.75 -4.60 119.36 118.41 1ipp n ILE 68 Ca -0.10 0.22 -0.33 0.00 -0.00 0.00 0.00 62.75 62.54 1ipp n ILE 68 Cb 0.43 -0.58 -0.02 0.00 -0.00 0.00 0.00 39.64 39.48 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 -0.96 5.68 0.00 4.38 5.03 -1.26 -4.75 115.26 123.37 1ipp n ASN 69 Ca 0.00 -3.68 0.00 0.00 0.87 0.00 0.00 54.58 51.77 1ipp n ASN 69 Cb 0.00 -0.83 0.00 0.00 -1.02 0.00 0.00 39.78 37.93 1ipp n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ipp n GLN 70 N -0.10 0.00 -4.23 3.52 6.02 -1.26 -4.96 117.38 116.37 1ipp n GLN 70 Ca 0.37 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 57.02 1ipp n GLN 70 Cb 0.34 -3.22 -0.13 0.00 1.02 0.00 0.00 30.24 28.24 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 -2.41 3.56 0.08 5.09 0.11 -1.26 -5.08 120.40 120.49 1ipp s VAL 71 Ca 0.00 -0.46 -0.29 0.00 -2.93 0.00 0.00 61.98 58.30 1ipp s VAL 71 Cb 0.00 -2.58 -0.05 0.00 -1.53 0.00 0.00 36.38 32.22 1ipp s VAL 71 CO 0.00 0.46 0.93 0.54 -3.33 0.00 0.00 175.10 173.70 1ipp s VAL 72 N 0.90 4.59 0.13 2.04 0.11 -1.26 -1.82 120.40 125.09 1ipp s VAL 72 Ca -0.01 1.99 0.08 0.00 -2.93 0.00 0.00 61.98 61.11 1ipp s VAL 72 Cb -0.15 -4.28 -0.04 0.00 -1.53 0.00 0.00 36.38 30.38 1ipp s VAL 72 CO 0.01 0.31 -0.14 -1.00 -3.33 0.00 0.00 175.10 170.95 1ipp s HIS 73 N 0.12 2.61 -0.02 1.54 3.76 0.14 -4.99 115.29 118.45 1ipp s HIS 73 Ca 0.46 -0.23 -0.02 0.00 -0.15 0.00 0.00 55.06 55.12 1ipp s HIS 73 Cb -0.22 -1.35 0.01 0.00 1.11 0.00 0.00 32.58 32.12 1ipp s HIS 73 CO 0.28 0.43 0.06 1.03 -0.85 0.00 0.00 174.74 175.69 1ipp s ARG 74 N -2.34 0.08 0.04 1.40 0.52 -1.26 -2.09 118.95 115.30 1ipp s ARG 74 Ca 0.21 0.07 -0.02 0.00 -0.52 0.00 0.00 55.73 55.47 1ipp s ARG 74 Cb -0.10 0.04 -0.03 0.00 0.52 0.00 0.00 34.95 35.38 1ipp s ARG 74 CO 0.12 -0.01 -0.00 -1.58 0.02 0.00 0.00 175.30 173.85 1ipp s TRP 75 N -0.00 0.38 0.30 -0.53 0.51 -0.91 -4.99 118.94 113.70 1ipp s TRP 75 Ca -0.00 -0.81 -0.29 0.00 -2.12 0.00 0.00 56.10 52.87 1ipp s TRP 75 Cb -0.01 -0.28 -0.10 0.00 -0.81 0.00 0.00 33.47 32.27 1ipp s TRP 75 CO 0.00 -0.33 1.44 0.20 -0.51 0.00 0.00 176.95 177.75 1ipp s GLY 76 N -2.38 2.57 0.45 0.98 0.00 -1.26 -0.58 107.32 107.09 1ipp s GLY 76 Ca -0.01 1.39 0.25 0.00 0.00 0.00 0.00 44.72 46.34 1ipp s GLY 76 CO -0.07 2.22 1.78 1.48 0.00 0.00 0.00 173.10 178.52 1ipp h SER 77 N 4.26 0.29 0.46 1.64 4.64 -1.28 -1.86 113.55 121.71 1ipp h SER 77 Ca -0.48 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1ipp h SER 77 Cb 1.22 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ipp h SER 77 CO 0.73 0.04 -0.45 1.41 -0.87 0.00 0.00 176.83 177.70 1ipp n HIS 78 N -4.49 0.00 0.06 4.77 8.25 -1.26 -4.29 115.22 118.26 1ipp n HIS 78 Ca 0.26 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.57 1ipp n HIS 78 Cb 1.01 -0.23 -0.06 0.00 1.12 0.00 0.00 29.99 31.83 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 0.21 1.38 -1.00 1.59 1.35 -1.70 -3.38 112.91 111.35 1ipp h THR 79 Ca 0.00 -2.42 0.39 0.00 -0.55 0.00 0.00 66.41 63.84 1ipp h THR 79 Cb 0.50 2.42 -0.18 0.00 -1.73 0.00 0.00 68.15 69.16 1ipp h THR 79 CO 0.00 0.73 0.50 0.58 -0.25 0.00 0.00 175.52 177.08 1ipp h VAL 80 N 0.26 0.04 -0.21 6.82 2.07 -1.75 0.14 116.25 123.63 1ipp h VAL 80 Ca -0.09 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1ipp h VAL 80 Cb 1.61 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1ipp h VAL 80 CO 0.17 0.01 0.14 -0.65 0.02 0.00 0.00 177.57 177.26 1ipp h PRO 81 N 0.05 0.25 -0.64 1.57 0.11 -1.90 -2.74 132.00 128.70 1ipp h PRO 81 Ca 0.81 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.91 1ipp h PRO 81 Cb 2.08 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 33.13 1ipp h PRO 81 CO -0.76 0.16 0.00 1.19 -0.21 0.00 0.00 178.00 178.38 1ipp n PHE 82 N -4.51 1.61 0.25 0.65 3.72 0.48 -4.57 117.46 115.09 1ipp n PHE 82 Ca 0.00 -0.59 0.17 0.00 -0.05 0.00 0.00 57.45 56.98 1ipp n PHE 82 Cb 0.10 -0.34 0.89 0.00 -0.94 0.00 0.00 39.48 39.18 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 3.68 0.00 -1.81 4.37 4.07 -1.51 -0.78 115.31 123.32 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 1.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.31 1ipp h LEU 83 CO 0.32 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.86 1ipp n LEU 84 N -3.71 2.79 -4.90 1.67 4.32 -1.26 -4.96 117.00 110.94 1ipp n LEU 84 Ca -0.00 -1.00 -0.28 0.00 -0.02 0.00 0.00 56.01 54.71 1ipp n LEU 84 Cb 0.23 -0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 41.96 1ipp n LEU 84 CO 0.26 0.50 0.30 -1.61 -1.22 0.00 0.00 177.39 175.62 1ipp s GLU 85 N -1.90 3.62 0.30 3.23 0.41 -0.30 -5.05 118.70 119.02 1ipp s GLU 85 Ca 0.32 0.09 -0.30 0.00 -0.41 0.00 0.00 54.97 54.67 1ipp s GLU 85 Cb 0.21 -2.54 -0.11 0.00 -1.78 0.00 0.00 34.13 29.91 1ipp s GLU 85 CO 0.31 0.06 1.59 -2.14 -0.49 0.00 0.00 175.26 174.59 1ipp s PRO 86 N -4.00 4.11 0.00 0.39 0.02 -1.26 -4.92 135.00 129.34 1ipp s PRO 86 Ca 0.46 2.60 0.28 0.00 0.02 0.00 0.00 61.00 64.35 1ipp s PRO 86 Cb -0.10 -3.01 1.05 0.00 0.02 0.00 0.00 34.50 32.45 1ipp s PRO 86 CO 0.34 -0.64 1.75 -0.40 -0.33 0.00 0.00 177.00 177.72 1ipp n ASP 87 N 1.98 0.70 -4.01 2.53 5.75 -1.26 -4.83 116.55 117.41 1ipp n ASP 87 Ca 0.07 -0.71 -0.09 0.00 -0.01 0.00 0.00 54.79 54.05 1ipp n ASP 87 Cb 0.37 0.01 -0.11 0.00 -1.03 0.00 0.00 41.12 40.36 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 -2.47 0.39 -0.06 -1.12 4.22 -1.26 -0.95 114.94 113.68 1ipp s ASN 88 Ca 0.27 -0.59 -0.01 0.00 -2.14 0.00 0.00 52.86 50.39 1ipp s ASN 88 Cb 0.20 0.11 0.03 0.00 1.28 0.00 0.00 41.25 42.86 1ipp s ASN 88 CO 0.49 -0.34 0.00 -0.51 -2.04 0.00 0.00 177.10 174.71 1ipp s ILE 89 N -1.87 0.32 -1.38 0.54 1.10 0.24 -4.81 121.20 115.34 1ipp s ILE 89 Ca -0.11 0.13 -0.03 0.00 -0.51 0.00 0.00 60.65 60.13 1ipp s ILE 89 Cb -0.07 -0.47 0.02 0.00 0.15 0.00 0.00 42.46 42.08 1ipp s ILE 89 CO -0.02 0.24 0.24 0.59 -2.11 0.00 0.00 174.94 173.87 1ipp n ASN 90 N 4.97 -4.85 0.00 4.50 5.03 -1.26 0.01 115.26 123.67 1ipp n ASN 90 Ca -0.10 -0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.27 1ipp n ASN 90 Cb 0.50 -4.02 0.00 0.00 -1.02 0.00 0.00 39.78 35.24 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 -1.09 0.56 3.45 7.41 0.00 -1.26 -5.04 105.19 109.21 1ipp n GLY 91 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.09 1.86 0.06 1.61 1.02 0.10 -5.10 119.74 119.20 1ipp s LYS 92 Ca 0.00 -1.11 -0.31 0.00 0.02 0.00 0.00 55.97 54.57 1ipp s LYS 92 Cb 0.00 -2.10 -0.07 0.00 -0.52 0.00 0.00 37.83 35.14 1ipp s LYS 92 CO 0.00 0.50 1.42 0.99 -0.92 0.00 0.00 175.35 177.34 1ipp s THR 93 N -1.00 3.45 0.36 2.17 2.01 -1.26 0.83 115.64 122.19 1ipp s THR 93 Ca 0.15 0.96 -0.27 0.00 0.31 0.00 0.00 61.69 62.84 1ipp s THR 93 Cb -0.10 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.69 1ipp s THR 93 CO 0.07 0.04 1.26 0.00 -0.69 0.00 0.00 174.62 175.29 1ipp s THR 95 N -1.22 0.72 -0.37 0.00 -1.32 0.22 -4.86 115.64 108.81 1ipp s THR 95 Ca 0.52 -0.66 -0.29 0.00 -1.21 0.00 0.00 61.69 60.05 1ipp s THR 95 Cb -0.37 -0.66 -0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1ipp s THR 95 CO 0.48 0.01 1.53 0.00 -2.21 0.00 0.00 174.62 174.44 1ipp s ALA 96 N -0.61 3.02 -0.28 11.08 0.00 -1.26 -1.71 121.76 132.01 1ipp s ALA 96 Ca -0.00 0.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.88 1ipp s ALA 96 Cb -0.06 -3.95 -0.03 0.00 0.00 0.00 0.00 23.12 19.08 1ipp s ALA 96 CO 0.00 -2.41 0.14 0.45 0.00 0.00 0.00 175.76 173.95 1ipp s SER 97 N 4.54 5.63 -0.61 0.00 0.15 -0.15 -4.96 113.70 118.30 1ipp s SER 97 Ca 0.67 -0.18 -0.28 0.00 0.70 0.00 0.00 55.95 56.87 1ipp s SER 97 Cb -0.17 -2.03 0.03 0.00 -1.71 0.00 0.00 66.02 62.14 1ipp s SER 97 CO 0.32 -0.08 1.22 -1.00 1.20 0.00 0.00 173.24 174.90 1ipp s HIS 98 N 1.69 2.53 0.32 3.44 3.76 -1.26 -1.36 115.29 124.41 1ipp s HIS 98 Ca 0.06 0.33 0.37 0.00 -0.15 0.00 0.00 55.06 55.67 1ipp s HIS 98 Cb -0.16 -4.54 1.73 0.00 1.11 0.00 0.00 32.58 30.73 1ipp s HIS 98 CO 0.08 -1.69 2.12 -0.07 -0.85 0.00 0.00 174.74 174.33 1ipp h LEU 99 N 12.17 0.00 0.00 0.89 4.07 -0.82 -1.15 115.31 130.47 1ipp h LEU 99 Ca -0.26 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.70 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 1.21 0.02 -1.13 0.00 -1.08 0.00 0.00 178.44 177.45 1ipp n HIS 101 N -1.69 -1.42 -3.86 0.00 8.25 -0.44 -4.94 115.22 111.13 1ipp n HIS 101 Ca 0.02 0.20 -0.33 0.00 -0.26 0.00 0.00 57.72 57.36 1ipp n HIS 101 Cb 0.39 -4.02 -0.12 0.00 1.12 0.00 0.00 29.99 27.35 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 -2.31 4.78 0.30 0.41 2.47 -1.26 -5.01 114.94 114.32 1ipp s ASN 102 Ca 0.12 -2.79 0.06 0.00 0.42 0.00 0.00 52.86 50.67 1ipp s ASN 102 Cb -0.06 -1.73 0.82 0.00 -1.45 0.00 0.00 41.25 38.83 1ipp s ASN 102 CO 0.15 -0.32 1.66 0.74 -3.72 0.00 0.00 177.10 175.61 1ipp h THR 103 N 5.60 0.33 0.00 -5.21 2.02 -1.97 -0.08 112.91 113.61 1ipp h THR 103 Ca -0.06 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1ipp h THR 103 Cb 0.94 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1ipp h THR 103 CO 0.68 0.05 -0.08 0.03 0.37 0.00 0.00 175.52 176.57 1ipp h ARG 104 N 0.27 0.00 -6.69 6.66 3.08 -1.92 -3.44 114.38 112.34 1ipp h ARG 104 Ca 0.60 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 60.13 1ipp h ARG 104 Cb 1.25 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.35 1ipp h ARG 104 CO -0.63 0.08 0.72 0.00 -1.07 0.00 0.00 179.97 179.07 1ipp n HIS 106 N 2.74 0.06 -1.68 0.00 8.25 0.73 -4.95 115.22 120.38 1ipp n HIS 106 Ca 0.07 -0.30 -0.43 0.00 -0.26 0.00 0.00 57.72 56.81 1ipp n HIS 106 Cb 0.41 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.68 5.71 0.42 0.41 3.84 -1.25 -4.85 114.94 118.54 1ipp s ASN 107 Ca 0.04 1.97 0.29 0.00 0.21 0.00 0.00 52.86 55.37 1ipp s ASN 107 Cb 0.02 -2.52 1.49 0.00 -0.55 0.00 0.00 41.25 39.70 1ipp s ASN 107 CO 0.03 -1.75 1.89 1.55 -2.79 0.00 0.00 177.10 176.03 1ipp h PRO 108 N 13.89 0.00 0.00 0.43 0.13 -1.95 -0.87 132.00 143.64 1ipp h PRO 108 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1ipp h PRO 108 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ipp h PRO 108 CO 0.96 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.01 1ipp n LEU 109 N -2.55 0.00 -0.33 1.56 4.77 -1.26 -2.89 117.00 116.29 1ipp n LEU 109 Ca -0.01 0.35 0.03 0.00 -0.03 0.00 0.00 56.01 56.35 1ipp n LEU 109 Cb 0.10 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 40.92 1ipp n LEU 109 CO 0.16 -0.03 0.51 1.41 -1.33 0.00 0.00 177.39 178.11 1ipp n HIS 110 N -1.35 0.19 -4.88 -1.77 8.25 -0.33 -5.02 115.22 110.31 1ipp n HIS 110 Ca 0.11 -0.37 -0.30 0.00 -0.26 0.00 0.00 57.72 56.90 1ipp n HIS 110 Cb 0.24 -0.03 -0.14 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.87 2.25 0.26 2.41 1.43 -1.14 -0.03 118.68 122.98 1ipp s LEU 111 Ca 0.12 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1ipp s LEU 111 Cb 0.06 -1.33 -0.05 0.00 0.03 0.00 0.00 46.19 44.90 1ipp s LEU 111 CO 0.09 0.26 0.07 0.00 0.23 0.00 0.00 176.35 177.00 1ipp s TRP 113 N -3.63 3.05 0.33 0.00 -0.00 -1.26 -0.98 118.94 116.46 1ipp s TRP 113 Ca 0.35 -2.11 -0.17 0.00 -0.00 0.00 0.00 56.10 54.17 1ipp s TRP 113 Cb 0.08 -1.88 0.03 0.00 -0.00 0.00 0.00 33.47 31.70 1ipp s TRP 113 CO 0.12 -0.85 0.73 -1.83 -0.00 0.00 0.00 176.95 175.12 1ipp s GLU 114 N 1.18 1.99 0.73 5.86 -1.05 -0.69 -4.84 118.70 121.87 1ipp s GLU 114 Ca -0.06 -1.25 -0.16 0.00 -0.15 0.00 0.00 54.97 53.35 1ipp s GLU 114 Cb -0.18 0.60 0.02 0.00 -0.44 0.00 0.00 34.13 34.13 1ipp s GLU 114 CO -0.07 -0.92 1.10 -1.13 0.95 0.00 0.00 175.26 175.20 1ipp n SER 115 N -0.95 0.98 -0.01 0.83 3.41 -1.26 0.72 113.62 117.34 1ipp n SER 115 Ca -0.06 0.68 0.04 0.00 -0.26 0.00 0.00 58.87 59.28 1ipp n SER 115 Cb 0.60 -1.47 0.43 0.00 -0.26 0.00 0.00 64.21 63.51 1ipp n SER 115 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ipp h LEU 116 N -0.24 0.47 -0.20 1.04 6.46 -1.93 0.10 115.31 121.02 1ipp h LEU 116 Ca -0.48 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.26 1ipp h LEU 116 Cb 1.33 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.13 1ipp h LEU 116 CO 0.48 0.34 0.10 0.44 -0.62 0.00 0.00 178.44 179.18 1ipp h ASP 117 N 0.56 0.25 -0.34 1.25 3.32 -1.94 0.20 116.42 119.72 1ipp h ASP 117 Ca 0.16 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1ipp h ASP 117 Cb -0.02 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1ipp h ASP 117 CO -0.04 0.30 0.05 0.44 -1.72 0.00 0.00 179.24 178.27 1ipp h ASP 118 N 0.19 0.54 -0.05 6.45 3.32 -1.78 -1.02 116.42 124.07 1ipp h ASP 118 Ca 0.07 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 56.89 1ipp h ASP 118 Cb 0.11 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 1ipp h ASP 118 CO -0.01 0.67 -0.41 -1.13 -1.72 0.00 0.00 179.24 176.63 1ipp h ASN 119 N 0.40 -1.27 -0.08 6.45 -0.73 -0.48 -2.88 115.58 117.00 1ipp h ASN 119 Ca 0.10 0.16 0.02 0.00 1.87 0.00 0.00 56.30 58.45 1ipp h ASN 119 Cb 0.35 0.50 -0.02 0.00 0.27 0.00 0.00 38.32 39.43 1ipp h ASN 119 CO 0.01 -0.44 -0.04 0.11 -0.37 0.00 0.00 177.43 176.70 1ipp h LYS 120 N -0.54 -0.03 -1.04 6.67 1.57 -0.52 -2.94 116.57 119.75 1ipp h LYS 120 Ca 0.06 0.00 0.28 0.00 -1.87 0.00 0.00 60.65 59.12 1ipp h LYS 120 Cb 0.64 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 1ipp h LYS 120 CO -0.34 -0.02 0.71 0.78 -0.57 0.00 0.00 179.45 180.01 1ipp h GLY 121 N -0.03 0.56 2.00 3.86 0.00 -0.98 -0.07 103.07 108.41 1ipp h GLY 121 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1ipp h GLY 121 CO -0.10 -0.05 0.00 3.21 0.00 0.00 0.00 176.54 179.60 1ipp h ARG 122 N 0.19 0.00 -0.27 4.80 3.08 -1.32 -2.03 114.38 118.84 1ipp h ARG 122 Ca 0.54 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.55 1ipp h ARG 122 Cb 1.74 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.78 1ipp h ARG 122 CO -0.14 0.00 0.02 -0.91 -1.07 0.00 0.00 179.97 177.87 1ipp h ASN 123 N 0.00 0.36 -0.32 7.04 2.35 -1.18 -3.15 115.58 120.68 1ipp h ASN 123 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1ipp h ASN 123 Cb 0.02 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1ipp h ASN 123 CO 0.00 0.41 0.00 0.79 -1.65 0.00 0.00 177.43 176.98 1ipp n TRP 124 N -4.34 0.41 -2.09 1.19 8.01 -0.76 -1.10 117.44 118.76 1ipp n TRP 124 Ca 0.01 -0.29 -0.39 0.00 -1.31 0.00 0.00 57.50 55.52 1ipp n TRP 124 Cb 0.20 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.31 29.49 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 -0.01 0.15 0.00 0.00 -0.04 -1.26 -3.92 135.00 129.92 1ipp n PRO 126 Ca 0.05 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1ipp n PRO 126 Cb 0.44 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 -0.10 1.49 0.39 0.55 0.00 -1.21 -3.88 105.19 102.44 1ipp n GLY 127 Ca 0.02 -1.98 0.20 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 -0.12 1.61 0.13 -1.64 -0.80 132.00 131.18 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 -3.57 2.72 -0.16 1.44 3.02 0.13 -4.70 115.26 114.13 1ipp n ASN 129 Ca 0.07 -2.63 0.03 0.00 -0.03 0.00 0.00 54.58 52.02 1ipp n ASN 129 Cb 0.63 -0.32 0.04 0.00 -0.61 0.00 0.00 39.78 39.52 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 -0.67 1.34 0.00 7.41 0.00 -0.37 -2.20 105.19 110.69 1ipp n GLY 130 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.48 0.93 3.68 -0.02 0.00 -1.19 -4.67 105.19 103.43 1ipp n GLY 131 Ca 0.04 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.46 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 3.73 1.33 -2.08 0.00 0.24 -1.26 -4.95 118.33 115.33 1ipp n VAL 133 Ca 0.26 -1.25 -0.42 0.00 -2.04 0.00 0.00 64.34 60.89 1ipp n VAL 133 Cb 0.08 0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.72 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 -1.49 2.73 0.16 6.34 3.76 -1.26 -4.93 115.29 120.61 1ipp s HIS 134 Ca 0.25 0.61 -0.18 0.00 -0.15 0.00 0.00 55.06 55.59 1ipp s HIS 134 Cb 0.16 -3.80 0.08 0.00 1.11 0.00 0.00 32.58 30.13 1ipp s HIS 134 CO 0.12 -3.08 1.66 0.00 -0.85 0.00 0.00 174.74 172.58 1ipp h ALA 135 N 7.87 0.16 -1.75 -1.40 0.00 -2.05 -3.06 119.26 119.03 1ipp h ALA 135 Ca -0.41 0.14 -0.66 0.00 0.00 0.00 0.00 54.91 53.98 1ipp h ALA 135 Cb 1.19 0.37 -0.17 0.00 0.00 0.00 0.00 17.79 19.18 1ipp h ALA 135 CO 0.91 -0.51 0.37 0.08 0.00 0.00 0.00 179.25 180.10 1ipp s VAL 136 N -6.18 4.52 0.41 0.00 1.01 -1.26 -5.02 120.40 113.88 1ipp s VAL 136 Ca -0.14 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 1ipp s VAL 136 Cb 0.14 -4.61 -0.10 0.00 0.00 0.00 0.00 36.38 31.81 1ipp s VAL 136 CO 0.70 -1.32 1.19 0.55 0.00 0.00 0.00 175.10 176.22 1ipp n VAL 137 N 5.77 2.46 -2.40 2.92 3.14 -1.16 -5.00 118.33 124.06 1ipp n VAL 137 Ca -0.06 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.46 1ipp n VAL 137 Cb 0.44 -1.43 -0.02 0.00 -1.06 0.00 0.00 33.84 31.78 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 1.88 0.00 -8.67 0.00 3.38 -1.95 -3.36 115.31 106.59 1ipp h LEU 139 Ca -0.49 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.15 1ipp h LEU 139 Cb 1.23 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.87 1ipp h LEU 139 CO 0.60 0.78 -0.38 0.00 0.09 0.00 0.00 178.44 179.53 1ipp s ARG 140 N -2.81 1.69 0.08 1.13 1.04 -1.25 -4.74 118.95 114.09 1ipp s ARG 140 Ca 0.01 -1.80 -0.34 0.00 -1.04 0.00 0.00 55.73 52.55 1ipp s ARG 140 Cb 0.09 0.37 -0.17 0.00 -2.04 0.00 0.00 34.95 33.20 1ipp s ARG 140 CO 0.79 -0.65 1.53 0.37 -0.04 0.00 0.00 175.30 177.31 1ipp h GLN 141 N 2.23 -0.98 0.00 3.89 4.15 -0.86 -3.37 115.11 120.16 1ipp h GLN 141 Ca -0.28 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.20 1ipp h GLN 141 Cb 1.24 0.22 0.00 0.00 0.21 0.00 0.00 27.48 29.15 1ipp h GLN 141 CO 0.40 -0.65 0.00 0.41 -1.93 0.00 0.00 178.83 177.06 1ipp n GLY 142 N -1.55 3.23 0.44 2.39 0.00 -1.25 -3.29 105.19 105.15 1ipp n GLY 142 Ca -0.12 -0.87 0.25 0.00 0.00 0.00 0.00 46.02 45.28 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 0.25 0.00 1.61 0.11 -1.84 -2.27 132.00 129.86 1ipp h PRO 143 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ipp h PRO 143 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1ipp h PRO 143 CO 0.00 0.16 -0.70 -0.07 -0.21 0.00 0.00 178.00 177.19 1ipp h LEU 144 N 0.25 0.00 -9.50 2.35 4.07 -1.48 -3.47 115.31 107.52 1ipp h LEU 144 Ca 0.52 -0.09 -0.60 0.00 0.08 0.00 0.00 57.88 57.79 1ipp h LEU 144 Cb 1.58 0.00 0.07 0.00 1.08 0.00 0.00 40.66 43.39 1ipp h LEU 144 CO -0.16 0.04 0.62 0.00 -1.08 0.00 0.00 178.44 177.87 1ipp n TYR 145 N -2.48 2.05 -0.64 1.13 4.19 -0.85 -4.85 117.16 115.71 1ipp n TYR 145 Ca 0.02 0.42 0.00 0.00 3.31 0.00 0.00 57.90 61.65 1ipp n TYR 145 Cb 0.50 -2.46 0.00 0.00 0.49 0.00 0.00 39.34 37.87 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 2.60 -2.57 0.28 2.98 0.00 -1.26 -4.98 105.19 102.23 1ipp n GLY 146 Ca 0.14 -1.29 0.14 0.00 0.00 0.00 0.00 46.02 45.02 1ipp n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ipp h PRO 147 N 0.00 0.00 0.00 1.61 0.13 -2.04 -3.49 132.00 128.22 1ipp h PRO 147 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ipp h PRO 147 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ipp h PRO 147 CO 0.00 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.26 1ipp n GLY 148 N -0.79 -0.38 2.23 1.56 0.00 -1.26 -4.85 105.19 101.70 1ipp n GLY 148 Ca -0.02 -1.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.07 2.12 -1.90 4.61 0.00 -1.26 -5.11 120.51 118.90 1ipp n ALA 149 Ca 0.00 -3.39 -0.42 0.00 0.00 0.00 0.00 53.44 49.63 1ipp n ALA 149 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.49 2.80 0.11 0.00 2.01 -1.26 -4.94 115.64 111.86 1ipp s THR 150 Ca 0.39 0.41 -0.10 0.00 0.31 0.00 0.00 61.69 62.71 1ipp s THR 150 Cb 0.36 -3.26 -0.17 0.00 0.01 0.00 0.00 72.50 69.44 1ipp s THR 150 CO -0.07 0.01 1.31 0.58 -0.69 0.00 0.00 174.62 175.76 1ipp h VAL 151 N 4.46 1.31 -2.09 3.82 2.07 -2.04 -3.46 116.25 120.32 1ipp h VAL 151 Ca -0.43 -2.12 -0.03 0.00 0.82 0.00 0.00 66.70 64.94 1ipp h VAL 151 Cb 1.20 2.14 -0.22 0.00 -1.52 0.00 0.00 31.29 32.90 1ipp h VAL 151 CO 0.93 0.66 0.03 0.00 0.02 0.00 0.00 177.57 179.21 1ipp s ALA 152 N -3.57 -1.72 0.54 1.67 0.00 -1.26 -5.18 121.76 112.24 1ipp s ALA 152 Ca -0.09 2.10 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1ipp s ALA 152 Cb 0.09 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1ipp s ALA 152 CO 0.89 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.72 1ipp n GLY 153 N 3.47 0.31 3.62 0.00 0.00 -1.26 -4.99 105.19 106.34 1ipp n GLY 153 Ca -0.17 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 1ipp n GLY 153 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ipp s PRO 154 N -1.64 3.44 0.50 1.61 0.02 -1.26 -4.97 135.00 132.71 1ipp s PRO 154 Ca 0.00 2.00 0.04 0.00 0.02 0.00 0.00 61.00 63.05 1ipp s PRO 154 Cb 0.00 -4.26 -0.01 0.00 0.02 0.00 0.00 34.50 30.25 1ipp s PRO 154 CO 0.00 -1.74 0.13 -0.65 -0.33 0.00 0.00 177.00 174.41 1ipp s GLN 155 N 5.66 2.19 -0.29 5.54 -0.21 -1.26 -5.15 119.66 126.15 1ipp s GLN 155 Ca 0.91 -2.21 -0.26 0.00 0.02 0.00 0.00 55.36 53.82 1ipp s GLN 155 Cb -0.32 -1.75 0.18 0.00 1.00 0.00 0.00 33.01 32.12 1ipp s GLN 155 CO 0.35 -0.37 1.34 -1.14 -2.12 0.00 0.00 175.29 173.35 1ipp s GLN 156 N -3.97 0.15 -0.16 2.91 2.00 -1.26 -5.07 119.66 114.26 1ipp s GLN 156 Ca 0.20 0.14 -0.16 0.00 -2.00 0.00 0.00 55.36 53.54 1ipp s GLN 156 Cb 0.02 0.07 -0.23 0.00 0.80 0.00 0.00 33.01 33.67 1ipp s GLN 156 CO 0.11 -0.03 0.34 0.00 -0.50 0.00 0.00 175.29 175.22 1ipp h ARG 157 N 3.07 0.13 0.00 1.67 3.08 -2.04 -3.48 114.38 116.81 1ipp h ARG 157 Ca -0.23 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1ipp h ARG 157 Cb 1.19 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1ipp h ARG 157 CO 0.18 1.10 0.00 0.41 -1.07 0.00 0.00 179.97 180.60 1ipp n GLY 158 N 1.66 3.24 2.51 0.04 0.00 -1.26 -5.08 105.19 106.31 1ipp n GLY 158 Ca -0.30 -1.91 -0.17 0.00 0.00 0.00 0.00 46.02 43.64 1ipp n GLY 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ipp n SER 159 N 0.00 3.23 0.01 1.61 3.41 -1.26 -4.85 113.62 115.77 1ipp n SER 159 Ca 0.00 -3.15 0.04 0.00 -0.26 0.00 0.00 58.87 55.50 1ipp n SER 159 Cb 0.00 -0.47 -0.11 0.00 -0.26 0.00 0.00 64.21 63.37 1ipp n SER 159 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ipp n HIS 160 N -0.40 0.46 -4.22 7.33 8.25 -1.26 -5.01 115.22 120.38 1ipp n HIS 160 Ca 0.25 0.15 -0.23 0.00 -0.26 0.00 0.00 57.72 57.63 1ipp n HIS 160 Cb 0.78 -0.85 -0.07 0.00 1.12 0.00 0.00 29.99 30.98 1ipp n HIS 160 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1ipp s PHE 161 N -3.12 2.72 0.06 4.41 0.40 -1.26 -5.14 117.98 116.05 1ipp s PHE 161 Ca -0.06 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1ipp s PHE 161 Cb 0.10 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.22 1ipp s PHE 161 CO 0.84 0.51 -0.05 0.14 0.70 0.00 0.00 175.22 177.37 1ipp s VAL 162 N -2.35 0.43 -2.00 -0.44 -7.23 -1.26 -5.17 120.40 102.38 1ipp s VAL 162 Ca 0.34 -1.62 0.19 0.00 -1.81 0.00 0.00 61.98 59.08 1ipp s VAL 162 Cb -0.05 -1.27 0.53 0.00 0.56 0.00 0.00 36.38 36.16 1ipp s VAL 162 CO 0.21 -0.79 1.51 0.52 -0.31 0.00 0.00 175.10 176.24