#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipr n LEU 2 N 0.00 3.64 -4.90 -0.89 7.94 -1.26 -4.26 117.00 117.26 3ipr n LEU 2 Ca 0.00 1.15 -0.33 0.00 -1.11 0.00 0.00 56.01 55.73 3ipr n LEU 2 Cb 0.00 -1.50 -0.05 0.00 0.53 0.00 0.00 43.42 42.41 3ipr n LEU 2 CO 0.00 -0.25 -0.11 -0.83 -1.11 0.00 0.00 177.39 175.09 3ipr s GLY 3 N 0.27 2.21 -0.05 -3.96 0.00 -0.66 -4.91 107.32 100.23 3ipr s GLY 3 Ca 0.65 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.68 3ipr s GLY 3 CO 0.51 -0.61 -0.10 -0.42 0.00 0.00 0.00 173.10 172.48 3ipr s ILE 4 N -1.42 0.95 -0.16 0.90 1.01 -0.64 0.89 121.20 122.73 3ipr s ILE 4 Ca 0.31 -0.41 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 3ipr s ILE 4 Cb -0.13 -0.87 0.04 0.00 0.01 0.00 0.00 42.46 41.51 3ipr s ILE 4 CO 0.21 0.30 -0.06 -0.69 0.00 0.00 0.00 174.94 174.70 3ipr s VAL 5 N 0.47 1.17 -0.27 2.92 1.01 -0.50 -0.72 120.40 124.48 3ipr s VAL 5 Ca -0.09 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 3ipr s VAL 5 Cb -0.13 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 3ipr s VAL 5 CO 0.02 0.18 0.16 -0.63 0.00 0.00 0.00 175.10 174.84 3ipr s ILE 6 N 1.62 5.15 -0.10 2.22 1.01 -0.29 -0.01 121.20 130.80 3ipr s ILE 6 Ca 0.01 0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.80 3ipr s ILE 6 Cb -0.15 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.89 3ipr s ILE 6 CO -0.08 0.28 -0.17 0.00 0.00 0.00 0.00 174.94 174.97 3ipr s ALA 7 N 1.62 1.76 0.30 9.38 0.00 -0.09 -0.60 121.76 134.14 3ipr s ALA 7 Ca 0.07 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.15 3ipr s ALA 7 Cb -0.15 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.20 3ipr s ALA 7 CO 0.09 0.07 0.59 0.95 0.00 0.00 0.00 175.76 177.46 3ipr s THR 8 N 0.72 0.00 0.28 0.00 -4.23 -0.87 -2.91 115.64 108.64 3ipr s THR 8 Ca -0.12 -1.29 -0.28 0.00 -1.18 0.00 0.00 61.69 58.82 3ipr s THR 8 Cb -0.16 -2.41 -0.09 0.00 1.34 0.00 0.00 72.50 71.18 3ipr s THR 8 CO 0.03 0.00 0.96 -1.00 -0.54 0.00 0.00 174.62 174.07 3ipr s HIS 9 N -3.42 3.80 0.00 3.99 3.76 -1.26 -0.58 115.29 121.58 3ipr s HIS 9 Ca 0.21 1.83 0.00 0.00 -0.15 0.00 0.00 55.06 56.95 3ipr s HIS 9 Cb -0.03 -2.99 0.00 0.00 1.11 0.00 0.00 32.58 30.67 3ipr s HIS 9 CO 0.12 0.22 0.00 0.41 -0.85 0.00 0.00 174.74 174.63 3ipr n GLY 10 N 1.04 0.76 0.52 -2.22 0.00 0.15 -3.74 105.19 101.70 3ipr n GLY 10 Ca -0.00 -0.86 0.03 0.00 0.00 0.00 0.00 46.02 45.19 3ipr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ipr n ALA 11 N 1.96 2.56 -0.27 4.61 0.00 -1.26 -4.28 120.51 123.83 3ipr n ALA 11 Ca 0.00 -0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.12 3ipr n ALA 11 Cb 0.00 -0.99 0.37 0.00 0.00 0.00 0.00 19.45 18.83 3ipr n ALA 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ipr h LEU 12 N 1.29 0.66 -0.31 0.00 5.85 -1.91 0.98 115.31 121.86 3ipr h LEU 12 Ca 0.00 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3ipr h LEU 12 Cb 0.44 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3ipr h LEU 12 CO 0.03 0.34 -0.06 0.77 -0.34 0.00 0.00 178.44 179.18 3ipr h SER 13 N 0.70 0.60 -0.57 1.25 4.64 -1.84 0.20 113.55 118.52 3ipr h SER 13 Ca 0.44 -0.35 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 3ipr h SER 13 Cb 0.69 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3ipr h SER 13 CO -0.20 0.81 0.03 0.44 -0.87 0.00 0.00 176.83 177.04 3ipr h ASP 14 N 0.37 0.99 -0.35 4.97 3.32 -1.67 -1.73 116.42 122.32 3ipr h ASP 14 Ca 0.08 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 3ipr h ASP 14 Cb 0.54 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3ipr h ASP 14 CO 0.03 1.02 0.00 1.23 -1.72 0.00 0.00 179.24 179.80 3ipr h GLY 15 N 1.01 0.67 1.00 2.75 0.00 -0.59 0.38 103.07 108.30 3ipr h GLY 15 Ca 0.18 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.03 3ipr h GLY 15 CO 0.02 0.45 0.65 0.00 0.00 0.00 0.00 176.54 177.67 3ipr h ALA 16 N 0.87 1.25 -0.20 3.60 0.00 -0.48 0.27 119.26 124.57 3ipr h ALA 16 Ca 0.10 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3ipr h ALA 16 Cb 0.45 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ipr h ALA 16 CO 0.02 0.63 -0.42 -0.22 0.00 0.00 0.00 179.25 179.26 3ipr h LYS 17 N 1.33 0.47 -0.05 0.00 3.64 -0.96 -2.12 116.57 118.88 3ipr h LYS 17 Ca 0.36 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3ipr h LYS 17 Cb -0.15 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3ipr h LYS 17 CO -0.08 0.81 0.00 0.22 -2.27 0.00 0.00 179.45 178.14 3ipr h ASP 18 N 0.39 0.08 -0.76 4.20 3.58 0.73 -2.52 116.42 122.12 3ipr h ASP 18 Ca 0.03 -0.28 0.11 0.00 0.42 0.00 0.00 57.03 57.31 3ipr h ASP 18 Cb 0.91 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.88 3ipr h ASP 18 CO 0.08 0.34 0.50 0.00 -2.88 0.00 0.00 179.24 177.28 3ipr h ALA 19 N 0.74 1.87 -0.01 -0.78 0.00 -0.39 -0.56 119.26 120.12 3ipr h ALA 19 Ca 0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3ipr h ALA 19 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ipr h ALA 19 CO 0.00 -0.04 -0.59 0.00 0.00 0.00 0.00 179.25 178.63 3ipr h ALA 20 N 1.63 1.01 -0.08 0.00 0.00 -1.23 -2.64 119.26 117.94 3ipr h ALA 20 Ca 0.36 -0.53 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 3ipr h ALA 20 Cb 0.55 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ipr h ALA 20 CO -0.13 0.73 -0.83 1.15 0.00 0.00 0.00 179.25 180.17 3ipr h THR 21 N 0.03 1.33 -0.69 0.00 2.02 -0.70 0.50 112.91 115.40 3ipr h THR 21 Ca -0.01 -2.15 -0.01 0.00 0.77 0.00 0.00 66.41 65.01 3ipr h THR 21 Cb 1.04 2.15 -0.03 0.00 -1.74 0.00 0.00 68.15 69.58 3ipr h THR 21 CO 0.08 0.66 0.38 0.58 0.37 0.00 0.00 175.52 177.59 3ipr h VAL 22 N 0.38 1.21 0.04 3.16 2.07 -1.13 0.26 116.25 122.24 3ipr h VAL 22 Ca -0.06 -0.54 -0.23 0.00 0.82 0.00 0.00 66.70 66.70 3ipr h VAL 22 Cb 1.44 0.31 0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3ipr h VAL 22 CO 0.15 0.24 -0.91 0.40 0.02 0.00 0.00 177.57 177.47 3ipr h ILE 23 N 0.95 1.36 0.00 4.57 2.04 -1.43 -3.38 117.51 121.63 3ipr h ILE 23 Ca 0.24 -2.26 -0.29 0.00 1.00 0.00 0.00 64.86 63.56 3ipr h ILE 23 Cb 0.04 2.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.68 3ipr h ILE 23 CO -0.04 0.68 -1.68 -0.03 0.00 0.00 0.00 178.15 177.08 3ipr h MET 24 N 0.11 0.00 0.00 2.37 4.05 -0.89 -3.49 114.93 117.08 3ipr h MET 24 Ca -0.13 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 3ipr h MET 24 Cb 1.60 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.40 3ipr h MET 24 CO 0.18 0.51 0.00 0.41 0.23 0.00 0.00 176.91 178.24 3ipr n GLY 25 N 1.54 2.97 3.83 1.39 0.00 0.93 -4.99 105.19 110.86 3ipr n GLY 25 Ca -0.16 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 44.88 3ipr n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ipr s ALA 26 N -0.69 -1.10 0.09 4.61 0.00 -1.25 -4.88 121.76 118.55 3ipr s ALA 26 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 51.96 51.42 3ipr s ALA 26 Cb 0.00 0.75 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 3ipr s ALA 26 CO 0.00 -1.02 0.19 0.95 0.00 0.00 0.00 175.76 175.88 3ipr s THR 27 N -3.03 0.14 -0.01 0.00 -4.23 -1.26 -4.72 115.64 102.52 3ipr s THR 27 Ca 0.14 -1.20 -0.09 0.00 -1.18 0.00 0.00 61.69 59.37 3ipr s THR 27 Cb -0.05 -1.37 0.01 0.00 1.34 0.00 0.00 72.50 72.43 3ipr s THR 27 CO 0.08 -0.63 0.18 -0.70 -0.54 0.00 0.00 174.62 173.01 3ipr s GLU 28 N -3.87 0.48 -1.36 3.99 2.12 -1.26 -4.92 118.70 113.88 3ipr s GLU 28 Ca 0.06 -0.26 -0.08 0.00 0.36 0.00 0.00 54.97 55.05 3ipr s GLU 28 Cb 0.05 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.66 3ipr s GLU 28 CO -0.10 -0.11 1.10 -1.71 -0.54 0.00 0.00 175.26 173.89 3ipr n ASN 29 N 1.66 -5.16 -3.96 -1.70 5.15 -1.26 -4.90 115.26 105.09 3ipr n ASN 29 Ca -0.21 -0.61 -0.28 0.00 -0.60 0.00 0.00 54.58 52.88 3ipr n ASN 29 Cb 0.56 -4.81 -0.17 0.00 -0.53 0.00 0.00 39.78 34.83 3ipr n ASN 29 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ipr s ILE 30 N -3.34 1.27 0.12 -1.44 1.01 -1.26 -1.63 121.20 115.94 3ipr s ILE 30 Ca 0.48 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.73 3ipr s ILE 30 Cb -0.22 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3ipr s ILE 30 CO 0.75 0.41 0.08 -1.61 0.00 0.00 0.00 174.94 174.57 3ipr s GLU 31 N 1.61 2.79 -0.03 2.79 0.41 0.11 -5.00 118.70 121.37 3ipr s GLU 31 Ca 0.05 -0.82 0.05 0.00 -0.41 0.00 0.00 54.97 53.84 3ipr s GLU 31 Cb -0.13 -2.63 -0.01 0.00 -1.78 0.00 0.00 34.13 29.58 3ipr s GLU 31 CO -0.09 0.52 -0.18 0.95 -0.49 0.00 0.00 175.26 175.96 3ipr s THR 32 N -1.54 1.50 0.03 3.63 -4.23 -1.26 -1.14 115.64 112.64 3ipr s THR 32 Ca 0.29 -0.78 0.08 0.00 -1.18 0.00 0.00 61.69 60.11 3ipr s THR 32 Cb -0.11 -1.27 -0.03 0.00 1.34 0.00 0.00 72.50 72.43 3ipr s THR 32 CO 0.22 0.43 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.79 3ipr s VAL 33 N -0.14 1.94 -0.02 2.29 1.01 0.23 -4.96 120.40 120.74 3ipr s VAL 33 Ca 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 61.98 60.75 3ipr s VAL 33 Cb -0.10 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.62 3ipr s VAL 33 CO 0.01 0.34 -0.13 0.20 0.00 0.00 0.00 175.10 175.52 3ipr s ASN 34 N -1.10 1.62 -0.30 3.32 -0.87 -1.26 -2.04 114.94 114.31 3ipr s ASN 34 Ca 0.10 -0.26 -0.05 0.00 -1.57 0.00 0.00 52.86 51.08 3ipr s ASN 34 Cb -0.09 -0.33 0.03 0.00 -0.02 0.00 0.00 41.25 40.84 3ipr s ASN 34 CO 0.01 0.13 0.06 -0.22 -2.57 0.00 0.00 177.10 174.52 3ipr s LEU 35 N -0.07 3.92 0.41 0.60 2.96 0.26 -4.89 118.68 121.85 3ipr s LEU 35 Ca 0.00 -0.95 0.08 0.00 -0.22 0.00 0.00 54.13 53.04 3ipr s LEU 35 Cb -0.08 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 3ipr s LEU 35 CO 0.00 -0.24 0.43 0.20 -1.32 0.00 0.00 176.35 175.43 3ipr s ASN 36 N 1.41 5.29 0.22 3.68 0.01 -1.26 -0.67 114.94 123.62 3ipr s ASN 36 Ca -0.00 -0.60 -0.32 0.00 -0.71 0.00 0.00 52.86 51.23 3ipr s ASN 36 Cb -0.18 -0.66 -0.12 0.00 0.41 0.00 0.00 41.25 40.70 3ipr s ASN 36 CO 0.01 -0.65 1.63 -1.20 -1.51 0.00 0.00 177.10 175.38 3ipr n SER 37 N -1.63 3.64 -0.00 -1.22 7.64 -1.26 -1.38 113.62 119.40 3ipr n SER 37 Ca 0.04 1.10 -0.00 0.00 1.01 0.00 0.00 58.87 61.02 3ipr n SER 37 Cb 0.61 -1.53 -0.00 0.00 -1.01 0.00 0.00 64.21 62.27 3ipr n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ipr n GLY 38 N 3.20 0.47 3.83 0.23 0.00 -1.26 -5.03 105.19 106.62 3ipr n GLY 38 Ca 0.14 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3ipr n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ipr s ASP 39 N -2.30 6.91 -0.29 1.61 1.11 -0.48 -5.04 116.67 118.20 3ipr s ASP 39 Ca 0.00 1.12 -0.24 0.00 0.18 0.00 0.00 52.55 53.61 3ipr s ASP 39 Cb 0.00 -2.30 -0.00 0.00 1.07 0.00 0.00 42.92 41.68 3ipr s ASP 39 CO 0.00 0.23 0.79 -0.62 1.18 0.00 0.00 175.17 176.75 3ipr s ASP 40 N -1.32 6.69 0.40 0.27 -1.08 -1.26 -4.88 116.67 115.49 3ipr s ASP 40 Ca 0.31 0.74 0.27 0.00 -0.52 0.00 0.00 52.55 53.34 3ipr s ASP 40 Cb -0.17 -2.41 1.45 0.00 -1.46 0.00 0.00 42.92 40.33 3ipr s ASP 40 CO 0.18 -0.59 1.81 -0.37 0.52 0.00 0.00 175.17 176.72 3ipr h VAL 41 N 5.56 0.00 -0.15 1.11 -1.51 -1.97 0.18 116.25 119.47 3ipr h VAL 41 Ca -0.24 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.19 3ipr h VAL 41 Cb 1.10 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 3ipr h VAL 41 CO 0.88 0.00 -0.10 -0.61 -1.23 0.00 0.00 177.57 176.51 3ipr h GLN 42 N 0.00 0.22 0.00 5.19 -0.00 -2.03 -2.50 115.11 115.99 3ipr h GLN 42 Ca 0.00 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.65 58.54 3ipr h GLN 42 Cb 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.45 3ipr h GLN 42 CO 0.00 0.33 -0.78 0.00 0.00 0.00 0.00 178.83 178.39 3ipr h ALA 43 N 1.69 0.68 -0.99 3.38 0.00 -1.04 -3.33 119.26 119.65 3ipr h ALA 43 Ca 0.05 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3ipr h ALA 43 Cb 0.31 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3ipr h ALA 43 CO 0.02 0.34 0.65 1.25 0.00 0.00 0.00 179.25 181.51 3ipr h LEU 44 N 0.00 1.09 -0.50 0.00 5.85 -1.43 -1.23 115.31 119.09 3ipr h LEU 44 Ca -0.04 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.74 3ipr h LEU 44 Cb 1.21 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.93 3ipr h LEU 44 CO 0.02 0.76 0.18 1.23 -0.34 0.00 0.00 178.44 180.29 3ipr h GLY 45 N 1.27 0.67 1.11 3.75 0.00 -1.67 -0.50 103.07 107.71 3ipr h GLY 45 Ca 0.39 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 3ipr h GLY 45 CO -0.12 0.01 0.32 -1.33 0.00 0.00 0.00 176.54 175.42 3ipr h GLY 46 N 0.36 1.21 1.73 4.60 0.00 -1.44 -1.95 103.07 107.59 3ipr h GLY 46 Ca 0.24 -0.64 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 3ipr h GLY 46 CO -0.25 0.60 -0.45 1.46 0.00 0.00 0.00 176.54 177.91 3ipr h GLN 47 N 1.11 0.29 -0.24 4.80 4.20 -0.70 -1.82 115.11 122.75 3ipr h GLN 47 Ca 0.26 -0.15 -0.15 0.00 0.06 0.00 0.00 58.65 58.66 3ipr h GLN 47 Cb 0.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3ipr h GLN 47 CO -0.02 0.69 -0.48 0.82 -0.67 0.00 0.00 178.83 179.16 3ipr h ILE 48 N 0.24 1.30 0.02 2.54 2.04 -0.85 -1.99 117.51 120.81 3ipr h ILE 48 Ca 0.02 -1.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.18 3ipr h ILE 48 Cb 0.89 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 3ipr h ILE 48 CO 0.07 0.54 -0.01 0.50 0.00 0.00 0.00 178.15 179.25 3ipr h LYS 49 N 0.51 -0.03 -0.66 2.37 3.64 -1.23 -1.48 116.57 119.69 3ipr h LYS 49 Ca 0.03 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.54 3ipr h LYS 49 Cb 1.03 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.76 3ipr h LYS 49 CO 0.10 0.44 0.14 1.15 -2.27 0.00 0.00 179.45 179.01 3ipr h THR 50 N -0.52 0.58 -0.14 1.00 2.02 -1.34 -0.03 112.91 114.47 3ipr h THR 50 Ca -0.00 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3ipr h THR 50 Cb 0.49 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3ipr h THR 50 CO 0.01 0.05 0.06 0.00 0.37 0.00 0.00 175.52 176.01 3ipr h ALA 51 N 1.54 0.18 -0.55 6.16 0.00 -1.32 -0.70 119.26 124.57 3ipr h ALA 51 Ca 0.36 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.25 3ipr h ALA 51 Cb 0.57 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3ipr h ALA 51 CO -0.46 -0.25 0.24 0.82 0.00 0.00 0.00 179.25 179.61 3ipr h ILE 52 N 0.09 0.87 -0.14 0.00 2.04 -0.44 -0.85 117.51 119.08 3ipr h ILE 52 Ca 0.05 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3ipr h ILE 52 Cb 0.14 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3ipr h ILE 52 CO -0.01 0.08 -0.11 -0.33 0.00 0.00 0.00 178.15 177.78 3ipr h GLU 53 N 0.46 0.22 0.00 2.37 5.08 -0.83 -1.62 114.58 120.26 3ipr h GLU 53 Ca 0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3ipr h GLU 53 Cb 0.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3ipr h GLU 53 CO -0.23 0.35 0.00 0.09 -1.00 0.00 0.00 179.01 178.22 3ipr n ASN 54 N -4.29 0.00 -0.00 1.42 3.02 -0.29 -3.51 115.26 111.60 3ipr n ASN 54 Ca -0.01 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 3ipr n ASN 54 Cb 0.25 -0.40 -0.00 0.00 -0.61 0.00 0.00 39.78 39.02 3ipr n ASN 54 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3ipr n VAL 55 N -1.40 0.00 -2.01 2.41 0.24 -0.87 -5.00 118.33 111.70 3ipr n VAL 55 Ca 0.09 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.47 3ipr n VAL 55 Cb 0.24 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.58 3ipr n VAL 55 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3ipr s GLN 56 N -0.80 4.11 0.00 7.34 2.00 -0.67 -3.99 119.66 127.65 3ipr s GLN 56 Ca 0.00 2.11 0.00 0.00 -2.00 0.00 0.00 55.36 55.47 3ipr s GLN 56 Cb 0.00 -4.00 0.00 0.00 0.80 0.00 0.00 33.01 29.81 3ipr s GLN 56 CO 0.01 -0.93 0.42 1.04 -0.50 0.00 0.00 175.29 175.32 3ipr n GLN 57 N 7.24 -0.64 0.00 1.67 6.02 -1.26 -4.98 117.38 125.43 3ipr n GLN 57 Ca 0.18 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 3ipr n GLN 57 Cb 0.43 -0.89 0.00 0.00 1.02 0.00 0.00 30.24 30.80 3ipr n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ipr n GLY 58 N -0.02 1.07 0.02 1.08 0.00 -1.26 -4.55 105.19 101.53 3ipr n GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ipr n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ipr n ASP 59 N 0.00 1.98 0.00 1.61 8.00 -1.26 -5.01 116.55 121.87 3ipr n ASP 59 Ca 0.00 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.54 3ipr n ASP 59 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3ipr n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ipr n GLY 60 N -0.45 0.90 2.82 0.44 0.00 -1.26 -4.42 105.19 103.22 3ipr n GLY 60 Ca 0.00 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 3ipr n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ipr s VAL 61 N -1.55 -0.04 -0.43 1.61 1.01 -0.76 -1.65 120.40 118.58 3ipr s VAL 61 Ca 0.00 0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 3ipr s VAL 61 Cb 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 36.38 36.31 3ipr s VAL 61 CO 0.00 0.07 0.43 -0.22 0.00 0.00 0.00 175.10 175.38 3ipr s LEU 62 N 0.84 4.95 -0.55 3.92 2.96 0.26 -2.23 118.68 128.82 3ipr s LEU 62 Ca -0.07 -0.76 -0.20 0.00 -0.22 0.00 0.00 54.13 52.89 3ipr s LEU 62 Cb -0.10 -2.36 0.07 0.00 0.50 0.00 0.00 46.19 44.31 3ipr s LEU 62 CO -0.03 -0.59 0.72 -0.69 -1.32 0.00 0.00 176.35 174.44 3ipr s VAL 63 N 2.09 4.75 -0.40 1.68 1.01 0.72 -1.41 120.40 128.84 3ipr s VAL 63 Ca 0.11 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 3ipr s VAL 63 Cb -0.18 -4.42 0.01 0.00 0.00 0.00 0.00 36.38 31.79 3ipr s VAL 63 CO 0.13 -1.01 0.42 -0.04 0.00 0.00 0.00 175.10 174.60 3ipr s MET 64 N 2.93 3.23 0.38 2.72 1.00 0.99 -1.45 119.30 129.11 3ipr s MET 64 Ca 0.16 -0.65 0.08 0.00 0.00 0.00 0.00 55.69 55.28 3ipr s MET 64 Cb -0.20 -3.92 -0.03 0.00 0.00 0.00 0.00 34.83 30.68 3ipr s MET 64 CO 0.11 -0.76 0.31 0.14 0.00 0.00 0.00 175.02 174.81 3ipr s VAL 65 N 2.12 2.97 -0.17 -6.03 -7.23 0.61 -0.91 120.40 111.76 3ipr s VAL 65 Ca 0.12 -1.42 -0.24 0.00 -1.81 0.00 0.00 61.98 58.63 3ipr s VAL 65 Cb -0.17 -3.06 -0.23 0.00 0.56 0.00 0.00 36.38 33.48 3ipr s VAL 65 CO 0.13 -0.08 0.50 -2.24 -0.31 0.00 0.00 175.10 173.11 3ipr h ASP 66 N 1.19 0.04 -3.15 4.85 2.03 -1.81 -2.43 116.42 117.14 3ipr h ASP 66 Ca -0.43 -0.76 -0.59 0.00 -0.73 0.00 0.00 57.03 54.52 3ipr h ASP 66 Cb 1.26 -0.01 -0.36 0.00 -0.83 0.00 0.00 39.33 39.39 3ipr h ASP 66 CO 0.59 1.28 -0.83 -0.22 -1.03 0.00 0.00 179.24 179.03 3ipr s LEU 67 N -8.00 1.60 0.24 0.15 2.96 -1.26 -2.01 118.68 112.35 3ipr s LEU 67 Ca -0.23 -0.44 -0.31 0.00 -0.22 0.00 0.00 54.13 52.92 3ipr s LEU 67 Cb 0.02 -1.10 -0.11 0.00 0.50 0.00 0.00 46.19 45.49 3ipr s LEU 67 CO 0.65 -0.06 1.63 -0.22 -1.32 0.00 0.00 176.35 177.04 3ipr s LEU 68 N 1.46 4.36 0.00 -0.68 2.96 -1.26 -2.21 118.68 123.31 3ipr s LEU 68 Ca 0.03 2.85 0.00 0.00 -0.22 0.00 0.00 54.13 56.79 3ipr s LEU 68 Cb -0.13 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.95 3ipr s LEU 68 CO -0.09 -0.91 0.00 -1.20 -1.32 0.00 0.00 176.35 172.83 3ipr n SER 69 N 3.16 -2.31 -4.62 3.68 7.64 -1.26 -5.03 113.62 114.87 3ipr n SER 69 Ca 0.12 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.76 3ipr n SER 69 Cb 0.37 -1.16 0.12 0.00 -1.01 0.00 0.00 64.21 62.53 3ipr n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ipr s ALA 70 N -2.26 3.71 0.14 -0.43 0.00 -0.94 -4.79 121.76 117.19 3ipr s ALA 70 Ca 0.00 -1.84 -0.25 0.00 0.00 0.00 0.00 51.96 49.87 3ipr s ALA 70 Cb 0.00 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 3ipr s ALA 70 CO 0.00 -1.58 1.62 0.77 0.00 0.00 0.00 175.76 176.57 3ipr h SER 71 N -0.62 -0.86 -0.73 0.00 0.02 -1.96 -0.61 113.55 108.81 3ipr h SER 71 Ca -0.35 0.13 0.13 0.00 -0.84 0.00 0.00 61.79 60.87 3ipr h SER 71 Cb 1.26 0.37 -0.09 0.00 0.14 0.00 0.00 62.40 64.08 3ipr h SER 71 CO 0.37 -0.32 0.28 -0.65 -1.14 0.00 0.00 176.83 175.37 3ipr h PRO 72 N -0.35 0.42 -0.00 3.45 0.11 -1.92 -0.08 132.00 133.63 3ipr h PRO 72 Ca 0.10 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 3ipr h PRO 72 Cb 0.50 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3ipr h PRO 72 CO -0.33 0.28 0.00 -0.92 -0.21 0.00 0.00 178.00 176.82 3ipr h TYR 73 N 0.44 0.01 -0.04 0.65 3.20 -1.62 -2.10 116.97 117.50 3ipr h TYR 73 Ca 0.39 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.29 3ipr h TYR 73 Cb 0.57 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 3ipr h TYR 73 CO -0.17 0.16 -0.15 -0.91 -1.64 0.00 0.00 178.16 175.45 3ipr h ASN 74 N -0.15 -0.45 -0.08 -2.11 2.35 -0.32 -1.81 115.58 113.02 3ipr h ASN 74 Ca 0.00 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3ipr h ASN 74 Cb 0.16 0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3ipr h ASN 74 CO -0.00 -0.21 -0.08 1.56 -1.65 0.00 0.00 177.43 177.06 3ipr h GLN 75 N -0.23 0.35 0.31 0.81 1.08 -1.09 -0.53 115.11 115.81 3ipr h GLN 75 Ca 0.06 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 3ipr h GLN 75 Cb 0.32 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3ipr h GLN 75 CO -0.18 0.44 -0.15 0.00 -0.95 0.00 0.00 178.83 178.00 3ipr h ALA 76 N 1.59 -0.42 -0.67 3.87 0.00 -0.97 -0.24 119.26 122.43 3ipr h ALA 76 Ca 0.07 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ipr h ALA 76 Cb 0.35 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3ipr h ALA 76 CO 0.02 -0.63 0.41 0.28 0.00 0.00 0.00 179.25 179.33 3ipr h VAL 77 N -0.62 1.08 -0.11 0.00 2.07 -1.14 -1.90 116.25 115.63 3ipr h VAL 77 Ca -0.04 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 3ipr h VAL 77 Cb 0.45 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3ipr h VAL 77 CO 0.07 0.15 -0.27 -0.07 0.02 0.00 0.00 177.57 177.47 3ipr h LEU 78 N 0.81 0.19 -0.11 2.57 3.38 -0.98 -2.63 115.31 118.54 3ipr h LEU 78 Ca 0.27 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.99 3ipr h LEU 78 Cb 0.04 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.75 3ipr h LEU 78 CO -0.11 0.46 -0.71 0.58 0.09 0.00 0.00 178.44 178.75 3ipr h VAL 79 N 0.17 1.31 -0.96 1.22 2.07 -0.65 -3.21 116.25 116.20 3ipr h VAL 79 Ca 0.03 -1.96 0.08 0.00 0.82 0.00 0.00 66.70 65.67 3ipr h VAL 79 Cb 0.57 2.12 -0.07 0.00 -1.52 0.00 0.00 31.29 32.39 3ipr h VAL 79 CO 0.04 0.61 0.61 0.40 0.02 0.00 0.00 177.57 179.25 3ipr h ILE 80 N 0.36 1.01 -0.24 4.57 2.04 -1.16 -0.44 117.51 123.65 3ipr h ILE 80 Ca -0.06 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.51 3ipr h ILE 80 Cb 1.35 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3ipr h ILE 80 CO 0.15 0.19 0.23 0.78 0.00 0.00 0.00 178.15 179.50 3ipr h ASN 81 N 1.05 0.00 -0.84 1.72 2.35 -1.47 -2.18 115.58 116.21 3ipr h ASN 81 Ca 0.44 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.87 3ipr h ASN 81 Cb 0.29 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.47 3ipr h ASN 81 CO -0.21 0.00 0.40 -0.62 -1.65 0.00 0.00 177.43 175.35 3ipr n GLU 82 N -3.97 3.30 -4.31 0.81 -0.58 -0.18 -4.97 120.64 110.74 3ipr n GLU 82 Ca 0.03 -3.08 -0.24 0.00 -0.42 0.00 0.00 57.16 53.46 3ipr n GLU 82 Cb 0.37 -2.22 -0.08 0.00 -0.57 0.00 0.00 31.44 28.94 3ipr n GLU 82 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3ipr s LEU 83 N -3.10 3.06 0.13 -4.62 1.43 -0.82 -5.07 118.68 109.69 3ipr s LEU 83 Ca 0.56 -0.81 -0.35 0.00 -1.03 0.00 0.00 54.13 52.50 3ipr s LEU 83 Cb 0.46 -1.53 -0.15 0.00 0.03 0.00 0.00 46.19 45.00 3ipr s LEU 83 CO 0.13 -0.09 1.47 -0.62 0.23 0.00 0.00 176.35 177.47 3ipr n GLU 84 N -0.90 1.73 0.33 1.70 -0.58 -1.26 -4.74 120.64 116.92 3ipr n GLU 84 Ca -0.05 0.62 0.12 0.00 -0.42 0.00 0.00 57.16 57.43 3ipr n GLU 84 Cb 0.60 -2.34 0.64 0.00 -0.57 0.00 0.00 31.44 29.78 3ipr n GLU 84 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3ipr h PRO 85 N 5.30 0.00 0.53 3.49 0.11 -1.96 -1.40 132.00 138.06 3ipr h PRO 85 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3ipr h PRO 85 Cb 1.29 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 3ipr h PRO 85 CO 0.84 0.00 -0.26 0.00 -0.21 0.00 0.00 178.00 178.37 3ipr h ALA 86 N 1.05 -0.71 0.00 -0.75 0.00 -2.01 -2.86 119.26 113.97 3ipr h ALA 86 Ca 0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 3ipr h ALA 86 Cb 0.95 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3ipr h ALA 86 CO 0.00 -0.79 -1.09 1.37 0.00 0.00 0.00 179.25 178.73 3ipr h LEU 87 N -0.93 0.00 -1.47 0.00 -0.00 -1.83 -3.28 115.31 107.80 3ipr h LEU 87 Ca -0.07 0.00 0.31 0.00 -0.00 0.00 0.00 57.88 58.12 3ipr h LEU 87 Cb 0.62 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.19 3ipr h LEU 87 CO 0.12 0.77 0.74 -0.61 -0.00 0.00 0.00 178.44 179.45 3ipr h GLN 88 N 0.00 0.26 -0.04 0.17 4.15 -1.30 1.54 115.11 119.89 3ipr h GLN 88 Ca -0.10 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3ipr h GLN 88 Cb 1.67 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.30 3ipr h GLN 88 CO 0.08 0.17 0.00 1.63 -1.93 0.00 0.00 178.83 178.79 3ipr n LYS 89 N -4.57 1.49 -0.07 1.69 5.02 -1.08 -3.54 118.16 117.10 3ipr n LYS 89 Ca 0.28 -0.72 0.03 0.00 -2.02 0.00 0.00 58.31 55.87 3ipr n LYS 89 Cb 1.05 -1.46 0.06 0.00 -0.02 0.00 0.00 35.03 34.66 3ipr n LYS 89 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ipr n LYS 90 N -0.11 2.85 -3.91 1.97 5.02 0.52 -4.96 118.16 119.53 3ipr n LYS 90 Ca 0.19 -1.77 -0.35 0.00 -2.02 0.00 0.00 58.31 54.36 3ipr n LYS 90 Cb 0.28 -1.14 -0.14 0.00 -0.02 0.00 0.00 35.03 34.01 3ipr n LYS 90 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ipr s ILE 91 N -1.18 3.23 0.01 -0.18 1.01 -0.85 -1.83 121.20 121.40 3ipr s ILE 91 Ca 0.10 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.07 3ipr s ILE 91 Cb 0.06 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 3ipr s ILE 91 CO 0.05 0.30 -0.09 -0.36 0.00 0.00 0.00 174.94 174.84 3ipr s PHE 92 N 1.42 2.81 -0.30 3.97 0.40 -0.95 -4.99 117.98 120.34 3ipr s PHE 92 Ca 0.03 -0.09 -0.03 0.00 -0.60 0.00 0.00 56.93 56.24 3ipr s PHE 92 Cb -0.15 -1.57 0.04 0.00 0.51 0.00 0.00 43.02 41.84 3ipr s PHE 92 CO -0.03 0.34 0.02 0.08 0.70 0.00 0.00 175.22 176.33 3ipr s VAL 93 N -0.97 3.26 -0.13 -0.44 1.01 -1.26 -0.20 120.40 121.66 3ipr s VAL 93 Ca 0.16 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 3ipr s VAL 93 Cb -0.11 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3ipr s VAL 93 CO 0.07 -0.05 0.05 0.68 0.00 0.00 0.00 175.10 175.85 3ipr s VAL 94 N 1.33 4.72 0.47 2.92 -7.23 -0.53 -4.99 120.40 117.09 3ipr s VAL 94 Ca -0.03 -0.08 0.07 0.00 -1.81 0.00 0.00 61.98 60.14 3ipr s VAL 94 Cb -0.19 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.70 3ipr s VAL 94 CO -0.00 0.55 0.40 -0.94 -0.31 0.00 0.00 175.10 174.80 3ipr s SER 95 N -0.41 4.87 -1.84 4.85 1.04 -1.26 -0.29 113.70 120.66 3ipr s SER 95 Ca 0.09 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.58 3ipr s SER 95 Cb -0.12 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.83 3ipr s SER 95 CO 0.02 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3ipr n GLY 96 N -1.65 1.00 3.66 7.32 0.00 -0.85 -4.89 105.19 109.78 3ipr n GLY 96 Ca 0.02 -0.12 -0.53 0.00 0.00 0.00 0.00 46.02 45.40 3ipr n GLY 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ipr n THR 97 N -3.03 0.19 -4.29 2.61 -1.04 -0.92 -5.00 114.28 102.80 3ipr n THR 97 Ca -0.20 -0.03 -0.16 0.00 -2.04 0.00 0.00 64.05 61.62 3ipr n THR 97 Cb 0.63 -1.18 -0.10 0.00 -1.82 0.00 0.00 70.33 67.87 3ipr n THR 97 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3ipr s ASN 98 N 2.19 1.72 0.26 8.00 2.20 -1.26 -4.88 114.94 123.17 3ipr s ASN 98 Ca 0.91 -1.14 -0.03 0.00 -0.94 0.00 0.00 52.86 51.65 3ipr s ASN 98 Cb -0.95 0.02 0.55 0.00 -2.00 0.00 0.00 41.25 38.88 3ipr s ASN 98 CO 0.54 -0.46 1.64 0.25 -2.94 0.00 0.00 177.10 176.13 3ipr h LEU 99 N 2.61 -0.21 -1.63 3.54 5.85 -1.94 0.38 115.31 123.90 3ipr h LEU 99 Ca -0.37 0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.62 3ipr h LEU 99 Cb 1.21 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 42.52 3ipr h LEU 99 CO 0.64 -0.17 0.37 -0.65 -0.34 0.00 0.00 178.44 178.28 3ipr h PRO 100 N 0.15 0.42 -0.22 5.25 0.11 -1.97 -0.22 132.00 135.52 3ipr h PRO 100 Ca 0.47 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.42 3ipr h PRO 100 Cb 0.89 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3ipr h PRO 100 CO -0.67 0.28 -0.42 0.52 -0.21 0.00 0.00 178.00 177.50 3ipr h MET 101 N 0.44 0.68 -0.79 1.05 2.86 -0.59 -0.73 114.93 117.85 3ipr h MET 101 Ca 0.24 -0.43 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3ipr h MET 101 Cb 0.40 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 3ipr h MET 101 CO -0.07 1.05 0.36 0.28 1.06 0.00 0.00 176.91 179.59 3ipr h VAL 102 N 0.38 1.25 -0.48 -2.22 2.07 -0.54 0.46 116.25 117.17 3ipr h VAL 102 Ca 0.01 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 3ipr h VAL 102 Cb 1.02 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3ipr h VAL 102 CO 0.09 0.31 -0.10 -0.07 0.02 0.00 0.00 177.57 177.82 3ipr h LEU 103 N 1.14 0.88 -0.50 2.57 3.38 -0.94 -1.01 115.31 120.81 3ipr h LEU 103 Ca 0.27 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3ipr h LEU 103 Cb 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3ipr h LEU 103 CO -0.03 0.99 -0.16 -0.08 0.09 0.00 0.00 178.44 179.25 3ipr h GLU 104 N 0.80 1.00 -0.09 1.13 4.57 -0.75 -1.87 114.58 119.37 3ipr h GLU 104 Ca 0.13 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 3ipr h GLU 104 Cb 0.62 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 3ipr h GLU 104 CO 0.04 1.08 0.05 0.00 -1.18 0.00 0.00 179.01 179.01 3ipr h ALA 105 N 0.89 0.11 -0.82 2.92 0.00 -0.57 -1.32 119.26 120.47 3ipr h ALA 105 Ca 0.12 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3ipr h ALA 105 Cb 0.74 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3ipr h ALA 105 CO 0.06 -0.40 0.54 0.82 0.00 0.00 0.00 179.25 180.26 3ipr h ILE 106 N 0.11 1.12 -0.88 0.00 2.04 -1.11 -0.66 117.51 118.13 3ipr h ILE 106 Ca 0.03 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3ipr h ILE 106 Cb -0.01 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.07 3ipr h ILE 106 CO -0.02 0.18 0.56 -1.13 0.00 0.00 0.00 178.15 177.75 3ipr h ASN 107 N 1.00 1.03 0.65 1.72 -0.00 -0.61 -1.63 115.58 117.74 3ipr h ASN 107 Ca 0.33 -0.04 -0.13 0.00 -0.00 0.00 0.00 56.30 56.45 3ipr h ASN 107 Cb 0.07 -0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 38.11 3ipr h ASN 107 CO -0.10 0.77 -0.63 0.45 -0.00 0.00 0.00 177.43 177.92 3ipr h HIS 108 N 1.20 0.00 0.11 0.67 3.86 -0.14 -1.31 115.15 119.53 3ipr h HIS 108 Ca 0.32 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.54 3ipr h HIS 108 Cb -0.10 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 3ipr h HIS 108 CO -0.01 0.63 -0.14 1.96 0.86 0.00 0.00 177.93 181.23 3ipr h GLN 109 N 0.00 -0.28 -0.54 2.45 4.20 -0.28 0.12 115.11 120.77 3ipr h GLN 109 Ca -0.01 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3ipr h GLN 109 Cb 1.12 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 3ipr h GLN 109 CO 0.08 -0.19 0.18 -0.07 -0.67 0.00 0.00 178.83 178.17 3ipr h LEU 110 N -0.29 0.78 -1.30 1.46 4.07 -1.27 -3.10 115.31 115.67 3ipr h LEU 110 Ca 0.01 -0.20 -0.05 0.00 0.08 0.00 0.00 57.88 57.73 3ipr h LEU 110 Cb 0.29 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3ipr h LEU 110 CO -0.06 0.77 -0.23 -0.07 -1.08 0.00 0.00 178.44 177.77 3ipr h LEU 111 N 0.75 0.00 0.00 1.67 3.38 -0.93 -3.47 115.31 116.71 3ipr h LEU 111 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3ipr h LEU 111 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3ipr h LEU 111 CO -0.01 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.36 3ipr n GLY 112 N -0.08 0.55 3.67 0.83 0.00 0.38 -4.99 105.19 105.54 3ipr n GLY 112 Ca -0.01 -0.27 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 3ipr n GLY 112 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ipr n THR 113 N -2.85 1.14 -1.88 2.61 -1.04 -1.05 -4.89 114.28 106.32 3ipr n THR 113 Ca 0.00 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.05 61.31 3ipr n THR 113 Cb 0.00 -1.45 -0.02 0.00 -1.82 0.00 0.00 70.33 67.04 3ipr n THR 113 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3ipr s PRO 114 N -0.66 4.19 0.30 -2.82 0.02 -1.26 -4.77 135.00 129.99 3ipr s PRO 114 Ca 0.66 2.45 0.05 0.00 0.02 0.00 0.00 61.00 64.18 3ipr s PRO 114 Cb -0.65 -3.09 0.76 0.00 0.02 0.00 0.00 34.50 31.54 3ipr s PRO 114 CO 0.52 -0.58 1.71 0.97 -0.33 0.00 0.00 177.00 179.28 3ipr h ILE 115 N 3.63 0.50 -0.45 2.83 2.10 -1.90 -0.32 117.51 123.89 3ipr h ILE 115 Ca -0.45 -0.15 0.02 0.00 1.08 0.00 0.00 64.86 65.36 3ipr h ILE 115 Cb 1.21 0.01 -0.03 0.00 -1.09 0.00 0.00 36.82 36.92 3ipr h ILE 115 CO 0.84 0.08 0.26 0.00 -1.08 0.00 0.00 178.15 178.25 3ipr h ALA 116 N 1.71 0.57 -0.07 0.18 0.00 -1.94 0.47 119.26 120.19 3ipr h ALA 116 Ca 0.57 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.38 3ipr h ALA 116 Cb 1.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3ipr h ALA 116 CO -0.51 -0.06 -0.40 1.49 0.00 0.00 0.00 179.25 179.78 3ipr h GLU 117 N 0.53 0.14 -0.05 0.00 4.81 -1.56 -3.02 114.58 115.44 3ipr h GLU 117 Ca 0.18 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3ipr h GLU 117 Cb 0.02 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3ipr h GLU 117 CO -0.09 0.52 -0.04 0.00 -0.73 0.00 0.00 179.01 178.68 3ipr h ALA 118 N 1.47 0.07 -0.64 2.92 0.00 0.03 -2.68 119.26 120.43 3ipr h ALA 118 Ca 0.01 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.80 3ipr h ALA 118 Cb 0.76 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 3ipr h ALA 118 CO 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 179.25 179.20 3ipr h ALA 119 N 0.58 0.69 -0.47 0.00 0.00 -0.02 0.14 119.26 120.17 3ipr h ALA 119 Ca 0.01 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ipr h ALA 119 Cb 0.51 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3ipr h ALA 119 CO 0.01 -0.37 0.13 1.96 0.00 0.00 0.00 179.25 180.97 3ipr h GLN 120 N 0.16 0.75 -0.91 0.00 4.20 -1.55 -1.47 115.11 116.29 3ipr h GLN 120 Ca 0.34 -0.17 0.06 0.00 0.06 0.00 0.00 58.65 58.94 3ipr h GLN 120 Cb 0.56 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 3ipr h GLN 120 CO -0.51 0.73 0.57 0.00 -0.67 0.00 0.00 178.83 178.95 3ipr h ALA 121 N 0.99 1.26 -0.42 3.87 0.00 -0.75 -0.53 119.26 123.68 3ipr h ALA 121 Ca 0.15 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3ipr h ALA 121 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ipr h ALA 121 CO -0.00 0.33 -0.18 0.82 0.00 0.00 0.00 179.25 180.22 3ipr h ILE 122 N 1.04 1.28 -0.74 0.00 2.04 -0.48 -1.98 117.51 118.67 3ipr h ILE 122 Ca 0.40 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 3ipr h ILE 122 Cb 0.18 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3ipr h ILE 122 CO -0.18 0.44 0.27 0.58 0.00 0.00 0.00 178.15 179.27 3ipr h VAL 123 N 0.69 1.25 0.44 1.67 2.07 -0.63 -0.19 116.25 121.56 3ipr h VAL 123 Ca 0.10 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3ipr h VAL 123 Cb 0.74 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3ipr h VAL 123 CO 0.06 0.33 -0.21 0.00 0.02 0.00 0.00 177.57 177.77 3ipr h ALA 124 N 1.21 -0.59 0.04 1.67 0.00 -0.97 -2.54 119.26 118.07 3ipr h ALA 124 Ca 0.25 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ipr h ALA 124 Cb 0.24 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3ipr h ALA 124 CO -0.02 -0.76 -0.51 1.96 0.00 0.00 0.00 179.25 179.93 3ipr h GLN 125 N -0.75 -0.65 -0.57 0.00 1.08 -1.18 -0.52 115.11 112.52 3ipr h GLN 125 Ca -0.06 0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.24 3ipr h GLN 125 Cb 0.53 0.15 -0.08 0.00 -0.05 0.00 0.00 27.48 28.03 3ipr h GLN 125 CO 0.10 -0.44 -0.47 0.78 -0.95 0.00 0.00 178.83 177.86 3ipr h GLY 126 N -0.68 -1.19 0.31 3.46 0.00 -1.05 0.26 103.07 104.17 3ipr h GLY 126 Ca 0.02 0.81 0.04 0.00 0.00 0.00 0.00 47.33 48.20 3ipr h GLY 126 CO -0.33 -0.20 -0.25 0.50 0.00 0.00 0.00 176.54 176.26 3ipr h LYS 127 N -0.16 -0.32 -0.00 4.80 1.57 -1.14 -1.35 116.57 119.96 3ipr h LYS 127 Ca 0.09 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3ipr h LYS 127 Cb 0.41 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3ipr h LYS 127 CO -0.62 -0.21 0.00 1.49 -0.57 0.00 0.00 179.45 179.54 3ipr h GLU 128 N -0.33 0.00 -0.00 3.15 4.57 -0.13 -1.91 114.58 119.93 3ipr h GLU 128 Ca 0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3ipr h GLU 128 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3ipr h GLU 128 CO -0.29 0.00 -0.09 -1.13 -1.18 0.00 0.00 179.01 176.32 3ipr n SER 129 N -3.60 0.35 -4.44 1.04 3.41 0.83 -4.69 113.62 106.51 3ipr n SER 129 Ca -0.03 -0.45 -0.44 0.00 -0.26 0.00 0.00 58.87 57.70 3ipr n SER 129 Cb 0.08 -0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 63.83 3ipr n SER 129 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ipr s VAL 130 N -2.52 5.08 0.18 -3.33 1.01 -0.72 -5.02 120.40 115.09 3ipr s VAL 130 Ca 0.28 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 3ipr s VAL 130 Cb 0.20 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.45 3ipr s VAL 130 CO 0.48 -0.57 0.39 0.00 0.00 0.00 0.00 175.10 175.39 3ipr s GLN 131 N 2.10 1.26 0.16 2.72 -2.07 -1.26 -5.04 119.66 117.52 3ipr s GLN 131 Ca 0.10 -1.05 0.11 0.00 -1.82 0.00 0.00 55.36 52.69 3ipr s GLN 131 Cb -0.20 0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 3ipr s GLN 131 CO 0.11 -0.49 -0.22 0.00 -1.32 0.00 0.00 175.29 173.36 3ipr s ALA 132 N -3.93 2.58 0.02 2.60 0.00 -1.26 -5.14 121.76 116.63 3ipr s ALA 132 Ca 0.14 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.59 3ipr s ALA 132 Cb 0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3ipr s ALA 132 CO -0.01 0.49 -0.07 -0.46 0.00 0.00 0.00 175.76 175.71 3ipr s TRP 133 N -1.43 0.60 0.12 0.00 -0.00 -1.26 -5.15 118.94 111.82 3ipr s TRP 133 Ca 0.19 -0.33 -0.10 0.00 -0.00 0.00 0.00 56.10 55.86 3ipr s TRP 133 Cb -0.09 -0.37 0.00 0.00 -0.00 0.00 0.00 33.47 33.01 3ipr s TRP 133 CO 0.10 -0.05 0.26 0.16 -0.00 0.00 0.00 176.95 177.41 3ipr s ASP 134 N -0.98 0.03 0.66 5.86 -4.77 -1.26 -5.04 116.67 111.18 3ipr s ASP 134 Ca -0.05 -0.66 0.31 0.00 -3.30 0.00 0.00 52.55 48.86 3ipr s ASP 134 Cb -0.07 0.39 1.71 0.00 -1.09 0.00 0.00 42.92 43.86 3ipr s ASP 134 CO 0.00 -0.80 1.97 -0.29 0.70 0.00 0.00 175.17 176.75 3ipr h ILE 135 N 2.62 0.03 0.00 2.11 6.09 -2.10 -1.43 117.51 124.83 3ipr h ILE 135 Ca -0.33 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 3ipr h ILE 135 Cb 1.22 0.70 0.00 0.00 0.47 0.00 0.00 36.82 39.21 3ipr h ILE 135 CO 0.52 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 174.06 3ipr n SER 136 N -2.98 0.00 -0.54 2.19 3.41 -1.26 -5.39 113.62 109.06 3ipr n SER 136 Ca -0.01 -0.42 0.07 0.00 -0.26 0.00 0.00 58.87 58.24 3ipr n SER 136 Cb 0.36 -0.13 0.06 0.00 -0.26 0.00 0.00 64.21 64.24 3ipr n SER 136 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11