#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipr s LEU 2 N 0.00 4.38 0.17 -0.89 2.96 -1.26 -4.34 118.68 119.69 3ipr s LEU 2 Ca 0.00 2.85 -0.13 0.00 -0.22 0.00 0.00 54.13 56.63 3ipr s LEU 2 Cb 0.00 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 43.03 3ipr s LEU 2 CO 0.00 -0.98 0.54 -0.83 -1.32 0.00 0.00 176.35 173.76 3ipr s GLY 3 N 1.57 2.40 -0.09 7.98 0.00 -0.48 -4.89 107.32 113.81 3ipr s GLY 3 Ca 0.76 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 45.31 3ipr s GLY 3 CO 0.33 0.06 -0.11 -0.42 0.00 0.00 0.00 173.10 172.96 3ipr s ILE 4 N -1.56 1.13 -0.16 0.90 1.01 -0.58 -0.85 121.20 121.09 3ipr s ILE 4 Ca 0.40 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.64 3ipr s ILE 4 Cb -0.14 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.28 3ipr s ILE 4 CO 0.20 0.37 -0.15 -0.69 0.00 0.00 0.00 174.94 174.66 3ipr s VAL 5 N 1.09 1.73 -0.25 2.92 1.01 0.14 0.28 120.40 127.33 3ipr s VAL 5 Ca -0.06 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 3ipr s VAL 5 Cb -0.14 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3ipr s VAL 5 CO -0.02 0.45 0.08 -0.63 0.00 0.00 0.00 175.10 174.99 3ipr s ILE 6 N 1.41 4.45 -0.12 2.22 1.01 0.33 0.61 121.20 131.12 3ipr s ILE 6 Ca 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.58 3ipr s ILE 6 Cb -0.13 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.27 3ipr s ILE 6 CO -0.11 0.33 -0.15 0.00 0.00 0.00 0.00 174.94 175.02 3ipr s ALA 7 N 1.57 1.72 0.26 9.38 0.00 0.44 -0.52 121.76 134.61 3ipr s ALA 7 Ca 0.06 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 3ipr s ALA 7 Cb -0.15 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 3ipr s ALA 7 CO 0.04 -0.16 0.33 0.95 0.00 0.00 0.00 175.76 176.92 3ipr s THR 8 N 1.13 0.00 0.29 0.00 -4.23 -1.08 -2.94 115.64 108.81 3ipr s THR 8 Ca -0.03 -1.75 -0.25 0.00 -1.18 0.00 0.00 61.69 58.48 3ipr s THR 8 Cb -0.14 -2.46 -0.09 0.00 1.34 0.00 0.00 72.50 71.15 3ipr s THR 8 CO -0.04 0.00 0.90 -1.00 -0.54 0.00 0.00 174.62 173.94 3ipr s HIS 9 N -3.76 3.72 0.00 3.99 3.76 -1.26 -1.90 115.29 119.85 3ipr s HIS 9 Ca 0.33 1.73 0.00 0.00 -0.15 0.00 0.00 55.06 56.97 3ipr s HIS 9 Cb 0.03 -2.87 0.00 0.00 1.11 0.00 0.00 32.58 30.84 3ipr s HIS 9 CO 0.15 0.27 0.00 0.41 -0.85 0.00 0.00 174.74 174.72 3ipr n GLY 10 N 0.72 -0.05 0.57 -2.22 0.00 0.22 -3.56 105.19 100.88 3ipr n GLY 10 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.85 2.37 -0.22 4.61 0.00 -1.26 -4.20 120.51 122.66 3ipr n ALA 11 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3ipr n ALA 11 Cb 0.00 -1.00 0.11 0.00 0.00 0.00 0.00 19.45 18.56 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 0.24 0.97 -0.63 0.00 5.85 -1.90 -1.49 115.31 118.35 3ipr h LEU 12 Ca 0.00 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3ipr h LEU 12 Cb 0.52 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3ipr h LEU 12 CO 0.00 0.91 0.37 0.77 -0.34 0.00 0.00 178.44 180.15 3ipr h SER 13 N 1.00 0.76 -0.40 1.25 4.64 -1.84 -0.78 113.55 118.19 3ipr h SER 13 Ca 0.22 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 3ipr h SER 13 Cb 0.30 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3ipr h SER 13 CO -0.01 0.61 -0.07 0.44 -0.87 0.00 0.00 176.83 176.93 3ipr h ASP 14 N 0.85 0.75 -0.09 4.97 3.32 -1.80 -2.05 116.42 122.37 3ipr h ASP 14 Ca 0.22 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 3ipr h ASP 14 Cb 0.00 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3ipr h ASP 14 CO -0.04 0.93 -0.08 1.23 -1.72 0.00 0.00 179.24 179.56 3ipr h GLY 15 N 0.56 0.39 0.85 2.75 0.00 -1.06 0.23 103.07 106.79 3ipr h GLY 15 Ca 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3ipr h GLY 15 CO 0.03 0.22 0.05 0.00 0.00 0.00 0.00 176.54 176.84 3ipr h ALA 16 N 1.58 0.23 -0.11 3.60 0.00 -0.88 -0.90 119.26 122.78 3ipr h ALA 16 Ca 0.07 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3ipr h ALA 16 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3ipr h ALA 16 CO 0.02 -0.14 -0.40 -0.22 0.00 0.00 0.00 179.25 178.51 3ipr h LYS 17 N 0.10 0.24 0.13 0.00 3.64 -0.96 -1.96 116.57 117.76 3ipr h LYS 17 Ca 0.06 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3ipr h LYS 17 Cb 0.25 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3ipr h LYS 17 CO -0.00 0.61 -0.06 0.22 -2.27 0.00 0.00 179.45 177.95 3ipr h ASP 18 N 0.20 -0.15 -0.25 4.20 1.82 -0.31 -0.69 116.42 121.25 3ipr h ASP 18 Ca 0.02 -0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 3ipr h ASP 18 Cb 0.80 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.83 3ipr h ASP 18 CO 0.06 0.01 0.14 0.00 -1.61 0.00 0.00 179.24 177.84 3ipr h ALA 19 N 0.55 1.71 -0.26 -0.78 0.00 -1.01 -0.26 119.26 119.20 3ipr h ALA 19 Ca -0.02 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3ipr h ALA 19 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ipr h ALA 19 CO 0.03 0.24 -0.47 0.00 0.00 0.00 0.00 179.25 179.05 3ipr h ALA 20 N 1.76 0.67 -0.11 0.00 0.00 -1.06 -2.58 119.26 117.94 3ipr h ALA 20 Ca 0.10 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 3ipr h ALA 20 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ipr h ALA 20 CO -0.01 0.67 -0.52 1.15 0.00 0.00 0.00 179.25 180.54 3ipr h THR 21 N 0.56 1.35 -0.35 0.00 2.02 -0.32 0.29 112.91 116.45 3ipr h THR 21 Ca 0.03 -1.78 -0.05 0.00 0.77 0.00 0.00 66.41 65.38 3ipr h THR 21 Cb 1.03 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 69.25 3ipr h THR 21 CO 0.10 0.54 -0.00 0.58 0.37 0.00 0.00 175.52 177.10 3ipr h VAL 22 N 0.25 1.20 0.05 3.16 2.07 -0.83 -0.71 116.25 121.45 3ipr h VAL 22 Ca 0.01 -0.80 -0.33 0.00 0.82 0.00 0.00 66.70 66.40 3ipr h VAL 22 Cb 1.00 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3ipr h VAL 22 CO 0.09 0.28 -1.82 -0.38 0.02 0.00 0.00 177.57 175.75 3ipr n ILE 23 N -4.27 1.63 1.01 4.57 5.41 -0.99 -4.41 119.36 122.30 3ipr n ILE 23 Ca 0.02 -0.37 0.13 0.00 1.00 0.00 0.00 62.75 63.52 3ipr n ILE 23 Cb 0.25 -1.84 0.40 0.00 -0.71 0.00 0.00 39.64 37.74 3ipr n ILE 23 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 3ipr n MET 24 N -3.92 0.02 0.00 0.38 2.81 0.99 -4.97 117.12 112.43 3ipr n MET 24 Ca -0.36 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.52 3ipr n MET 24 Cb 0.88 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 3ipr n MET 24 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ipr n GLY 25 N 1.49 2.25 3.58 3.03 0.00 -0.27 -4.85 105.19 110.42 3ipr n GLY 25 Ca 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.01 -2.38 0.37 4.61 0.00 -1.26 -4.84 121.76 118.26 3ipr s ALA 26 Ca 0.00 2.17 0.05 0.00 0.00 0.00 0.00 51.96 54.18 3ipr s ALA 26 Cb 0.00 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 3ipr s ALA 26 CO 0.00 -0.52 0.53 0.95 0.00 0.00 0.00 175.76 176.72 3ipr s THR 27 N 1.67 4.04 -0.00 0.00 -4.23 -1.26 -5.04 115.64 110.82 3ipr s THR 27 Ca -0.07 -0.85 -0.02 0.00 -1.18 0.00 0.00 61.69 59.57 3ipr s THR 27 Cb -0.04 -3.43 -0.00 0.00 1.34 0.00 0.00 72.50 70.37 3ipr s THR 27 CO -0.16 -0.21 0.04 -1.61 -0.54 0.00 0.00 174.62 172.15 3ipr s GLU 28 N -4.29 0.20 -1.43 3.99 2.02 -1.26 -4.88 118.70 113.05 3ipr s GLU 28 Ca 0.46 -0.21 -0.11 0.00 0.02 0.00 0.00 54.97 55.13 3ipr s GLU 28 Cb -0.10 0.08 0.04 0.00 0.10 0.00 0.00 34.13 34.25 3ipr s GLU 28 CO 0.33 -0.04 1.10 -1.71 0.02 0.00 0.00 175.26 174.97 3ipr n ASN 29 N 2.36 -5.77 -4.14 -0.19 5.15 -1.26 -4.87 115.26 106.55 3ipr n ASN 29 Ca -0.17 -0.64 -0.33 0.00 -0.60 0.00 0.00 54.58 52.84 3ipr n ASN 29 Cb 0.58 -4.56 -0.16 0.00 -0.53 0.00 0.00 39.78 35.11 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 -3.31 2.21 0.03 -1.44 1.01 -1.26 -1.53 121.20 116.92 3ipr s ILE 30 Ca 0.62 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 60.35 3ipr s ILE 30 Cb -0.29 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3ipr s ILE 30 CO 0.77 0.48 -0.00 -0.70 0.00 0.00 0.00 174.94 175.48 3ipr s GLU 31 N 1.30 2.70 -0.07 2.79 2.56 0.14 -5.00 118.70 123.11 3ipr s GLU 31 Ca 0.04 -0.69 0.03 0.00 0.00 0.00 0.00 54.97 54.35 3ipr s GLU 31 Cb -0.14 -2.62 0.01 0.00 2.00 0.00 0.00 34.13 33.39 3ipr s GLU 31 CO -0.11 0.60 -0.15 0.95 -0.56 0.00 0.00 175.26 175.98 3ipr s THR 32 N -1.15 1.37 0.02 -1.70 -4.23 -1.26 -0.51 115.64 108.18 3ipr s THR 32 Ca 0.21 -0.61 0.06 0.00 -1.18 0.00 0.00 61.69 60.17 3ipr s THR 32 Cb -0.12 -1.22 -0.03 0.00 1.34 0.00 0.00 72.50 72.47 3ipr s THR 32 CO 0.13 0.41 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.75 3ipr s VAL 33 N 0.58 2.85 -0.04 2.29 1.01 0.32 -4.97 120.40 122.45 3ipr s VAL 33 Ca -0.16 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 60.76 3ipr s VAL 33 Cb -0.16 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.03 3ipr s VAL 33 CO 0.05 0.38 -0.12 0.20 0.00 0.00 0.00 175.10 175.62 3ipr s ASN 34 N -1.31 1.60 -0.34 3.32 -0.87 -1.26 -2.65 114.94 113.43 3ipr s ASN 34 Ca 0.14 -0.26 -0.01 0.00 -1.57 0.00 0.00 52.86 51.17 3ipr s ASN 34 Cb -0.11 -0.52 0.08 0.00 -0.02 0.00 0.00 41.25 40.68 3ipr s ASN 34 CO 0.05 0.08 0.06 -0.22 -2.57 0.00 0.00 177.10 174.50 3ipr s LEU 35 N 0.28 4.43 0.50 0.60 2.96 -0.80 -4.90 118.68 121.76 3ipr s LEU 35 Ca -0.06 -1.67 0.08 0.00 -0.22 0.00 0.00 54.13 52.25 3ipr s LEU 35 Cb -0.11 -1.72 0.03 0.00 0.50 0.00 0.00 46.19 44.89 3ipr s LEU 35 CO 0.02 -0.36 0.56 0.20 -1.32 0.00 0.00 176.35 175.44 3ipr s ASN 36 N 1.36 5.07 0.22 3.68 0.01 -1.26 -0.61 114.94 123.42 3ipr s ASN 36 Ca 0.01 -0.84 -0.32 0.00 -0.71 0.00 0.00 52.86 51.00 3ipr s ASN 36 Cb -0.21 -0.06 -0.12 0.00 0.41 0.00 0.00 41.25 41.27 3ipr s ASN 36 CO -0.04 -1.01 1.66 -1.20 -1.51 0.00 0.00 177.10 175.00 3ipr n SER 37 N -1.88 3.79 0.00 -1.22 7.64 -1.26 -2.52 113.62 118.17 3ipr n SER 37 Ca 0.07 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.04 3ipr n SER 37 Cb 0.62 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 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 3.37 2.55 3.53 0.23 0.00 -1.26 -5.03 105.19 108.59 3ipr n GLY 38 Ca 0.14 -0.63 -0.49 0.00 0.00 0.00 0.00 46.02 45.04 3ipr n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ipr n ASP 39 N 1.25 0.56 -4.64 1.61 9.92 -1.05 -4.85 116.55 119.35 3ipr n ASP 39 Ca 0.00 1.15 -0.43 0.00 -0.53 0.00 0.00 54.79 54.98 3ipr n ASP 39 Cb 0.00 -1.13 -0.03 0.00 -0.64 0.00 0.00 41.12 39.32 3ipr n ASP 39 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3ipr s ASP 40 N -0.34 6.47 0.65 -2.24 -1.08 -1.26 -4.85 116.67 114.02 3ipr s ASP 40 Ca 0.70 1.76 0.30 0.00 -0.52 0.00 0.00 52.55 54.79 3ipr s ASP 40 Cb -0.89 -2.53 1.60 0.00 -1.46 0.00 0.00 42.92 39.64 3ipr s ASP 40 CO 0.55 -1.16 1.93 0.58 0.52 0.00 0.00 175.17 177.59 3ipr h VAL 41 N 5.98 0.11 0.08 1.11 2.07 -1.97 0.47 116.25 124.10 3ipr h VAL 41 Ca -0.34 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 66.94 3ipr h VAL 41 Cb 1.16 0.67 0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3ipr h VAL 41 CO 0.99 0.00 -0.97 -0.61 0.02 0.00 0.00 177.57 177.00 3ipr h GLN 42 N 0.00 0.52 0.00 1.57 -0.00 -2.01 -3.23 115.11 111.95 3ipr h GLN 42 Ca 0.05 -0.66 -0.00 0.00 -0.00 0.00 0.00 58.65 58.03 3ipr h GLN 42 Cb 0.76 0.21 -0.00 0.00 0.00 0.00 0.00 27.48 28.45 3ipr h GLN 42 CO -0.00 1.28 -0.01 0.00 0.00 0.00 0.00 178.83 180.10 3ipr h ALA 43 N 0.27 1.21 -0.04 3.38 0.00 -1.29 -2.32 119.26 120.46 3ipr h ALA 43 Ca -0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ipr h ALA 43 Cb 1.68 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 3ipr h ALA 43 CO 0.19 0.01 0.01 1.25 0.00 0.00 0.00 179.25 180.71 3ipr h LEU 44 N 0.00 0.07 -2.13 0.00 5.85 -1.54 -2.69 115.31 114.87 3ipr h LEU 44 Ca -0.00 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.54 3ipr h LEU 44 Cb 0.06 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3ipr h LEU 44 CO 0.00 0.31 0.26 1.23 -0.34 0.00 0.00 178.44 179.90 3ipr h GLY 45 N -0.18 0.00 0.82 3.75 0.00 -1.53 -0.64 103.07 105.29 3ipr h GLY 45 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 3ipr h GLY 45 CO 0.00 0.00 -0.49 -1.33 0.00 0.00 0.00 176.54 174.72 3ipr h GLY 46 N 0.00 0.51 1.60 4.60 0.00 -1.53 -2.72 103.07 105.53 3ipr h GLY 46 Ca 0.13 -0.75 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 3ipr h GLY 46 CO -0.00 0.67 0.08 1.46 0.00 0.00 0.00 176.54 178.75 3ipr h GLN 47 N 0.02 0.51 -0.44 4.80 4.20 -0.85 -1.88 115.11 121.47 3ipr h GLN 47 Ca -0.04 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.46 3ipr h GLN 47 Cb 1.15 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 3ipr h GLN 47 CO 0.10 0.47 -0.25 0.82 -0.67 0.00 0.00 178.83 179.30 3ipr h ILE 48 N 0.50 1.27 0.06 2.54 2.04 -1.26 -0.77 117.51 121.89 3ipr h ILE 48 Ca 0.12 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 3ipr h ILE 48 Cb 0.20 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3ipr h ILE 48 CO -0.00 0.48 -0.03 0.50 0.00 0.00 0.00 178.15 179.10 3ipr h LYS 49 N 0.79 -0.07 -0.88 2.37 3.64 -1.12 -0.91 116.57 120.39 3ipr h LYS 49 Ca 0.10 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 3ipr h LYS 49 Cb 0.82 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.59 3ipr h LYS 49 CO 0.07 0.08 0.57 1.15 -2.27 0.00 0.00 179.45 179.05 3ipr h THR 50 N -0.21 1.03 -0.44 1.00 2.02 -1.26 -1.74 112.91 113.31 3ipr h THR 50 Ca -0.01 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 3ipr h THR 50 Cb 0.18 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 3ipr h THR 50 CO 0.01 0.17 0.10 0.00 0.37 0.00 0.00 175.52 176.17 3ipr h ALA 51 N 1.53 0.59 -0.00 6.16 0.00 -0.70 -1.74 119.26 125.09 3ipr h ALA 51 Ca 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ipr h ALA 51 Cb 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ipr h ALA 51 CO -0.15 0.28 0.00 0.82 0.00 0.00 0.00 179.25 180.21 3ipr h ILE 52 N 0.59 1.01 -0.43 0.00 2.04 -0.40 -2.53 117.51 117.78 3ipr h ILE 52 Ca 0.14 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 66.05 3ipr h ILE 52 Cb 0.34 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 3ipr h ILE 52 CO 0.00 0.01 -0.02 -0.33 0.00 0.00 0.00 178.15 177.81 3ipr h GLU 53 N -0.01 0.08 0.00 2.37 5.08 -1.21 0.57 114.58 121.46 3ipr h GLU 53 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ipr h GLU 53 Cb 0.01 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3ipr h GLU 53 CO -0.00 0.05 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 3ipr n ASN 54 N -5.23 0.00 -0.00 1.42 5.03 -0.67 -3.05 115.26 112.76 3ipr n ASN 54 Ca 0.03 0.34 0.00 0.00 0.87 0.00 0.00 54.58 55.83 3ipr n ASN 54 Cb 0.23 -0.41 -0.01 0.00 -1.02 0.00 0.00 39.78 38.57 3ipr n ASN 54 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3ipr n VAL 55 N -1.41 0.00 -2.62 2.41 0.31 -0.12 -4.98 118.33 111.92 3ipr n VAL 55 Ca 0.04 -0.16 -0.43 0.00 -0.01 0.00 0.00 64.34 63.79 3ipr n VAL 55 Cb 0.13 0.64 -0.02 0.00 -0.91 0.00 0.00 33.84 33.68 3ipr n VAL 55 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3ipr s GLN 56 N -1.76 4.04 -0.11 5.55 -0.44 0.18 -3.85 119.66 123.27 3ipr s GLN 56 Ca -0.00 1.07 0.14 0.00 -2.50 0.00 0.00 55.36 54.08 3ipr s GLN 56 Cb 0.00 -3.76 0.26 0.00 -1.64 0.00 0.00 33.01 27.88 3ipr s GLN 56 CO 0.03 -0.94 1.13 1.04 0.50 0.00 0.00 175.29 177.06 3ipr n GLN 57 N 6.95 1.03 0.00 1.67 6.02 -1.26 -4.94 117.38 126.84 3ipr n GLN 57 Ca 0.12 -2.38 0.00 0.00 -0.01 0.00 0.00 57.00 54.74 3ipr n GLN 57 Cb 0.47 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.48 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 -1.02 0.78 0.00 1.08 0.00 -1.26 -4.48 105.19 100.30 3ipr n GLY 58 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 0.67 0.00 1.61 8.00 -1.26 -5.03 116.55 120.53 3ipr n ASP 59 Ca 0.00 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.84 3ipr n ASP 59 Cb 0.00 1.33 0.00 0.00 -0.02 0.00 0.00 41.12 42.43 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 1.42 1.75 2.85 0.44 0.00 -1.26 -4.50 105.19 105.89 3ipr n GLY 60 Ca 0.01 -2.13 -0.15 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.76 0.15 -0.33 1.61 1.01 -0.28 -1.38 120.40 119.42 3ipr s VAL 61 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 3ipr s VAL 61 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 3ipr s VAL 61 CO 0.00 0.10 0.20 -0.76 0.00 0.00 0.00 175.10 174.65 3ipr s LEU 62 N 0.62 4.38 -0.51 3.92 1.43 -0.03 -1.59 118.68 126.91 3ipr s LEU 62 Ca -0.06 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 3ipr s LEU 62 Cb -0.09 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.17 3ipr s LEU 62 CO -0.01 -0.24 0.44 -0.69 0.23 0.00 0.00 176.35 176.09 3ipr s VAL 63 N 1.66 5.02 -0.24 -1.59 1.01 0.28 0.25 120.40 126.79 3ipr s VAL 63 Ca 0.05 -1.45 -0.14 0.00 0.00 0.00 0.00 61.98 60.44 3ipr s VAL 63 Cb -0.17 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3ipr s VAL 63 CO 0.08 -0.78 0.31 -0.04 0.00 0.00 0.00 175.10 174.68 3ipr s MET 64 N 1.56 4.08 0.31 2.72 -1.94 0.20 -2.12 119.30 124.12 3ipr s MET 64 Ca 0.04 -0.01 0.10 0.00 -1.71 0.00 0.00 55.69 54.11 3ipr s MET 64 Cb -0.28 -3.58 -0.05 0.00 2.01 0.00 0.00 34.83 32.93 3ipr s MET 64 CO 0.03 -0.10 -0.04 0.14 -0.01 0.00 0.00 175.02 175.05 3ipr s VAL 65 N 1.52 2.82 -0.08 -6.03 -7.23 -0.29 -0.42 120.40 110.68 3ipr s VAL 65 Ca 0.14 -2.05 -0.21 0.00 -1.81 0.00 0.00 61.98 58.05 3ipr s VAL 65 Cb -0.15 -2.71 -0.17 0.00 0.56 0.00 0.00 36.38 33.91 3ipr s VAL 65 CO 0.08 -0.29 0.80 -2.24 -0.31 0.00 0.00 175.10 173.14 3ipr h ASP 66 N 1.93 -0.10 -3.34 4.85 3.04 -1.82 -2.62 116.42 118.36 3ipr h ASP 66 Ca -0.43 -0.50 -0.63 0.00 -3.24 0.00 0.00 57.03 52.24 3ipr h ASP 66 Cb 1.25 0.02 -0.33 0.00 -1.04 0.00 0.00 39.33 39.23 3ipr h ASP 66 CO 0.64 0.56 -0.86 -0.22 -2.04 0.00 0.00 179.24 177.31 3ipr s LEU 67 N -8.77 1.95 0.42 0.15 2.96 -1.26 -1.79 118.68 112.34 3ipr s LEU 67 Ca -0.13 -0.49 -0.26 0.00 -0.22 0.00 0.00 54.13 53.03 3ipr s LEU 67 Cb -0.00 -1.25 -0.09 0.00 0.50 0.00 0.00 46.19 45.35 3ipr s LEU 67 CO 0.50 0.11 1.36 -0.22 -1.32 0.00 0.00 176.35 176.79 3ipr s LEU 68 N 0.51 4.19 -1.70 -0.68 2.96 -1.26 -2.89 118.68 119.81 3ipr s LEU 68 Ca -0.16 2.78 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 3ipr s LEU 68 Cb -0.17 -3.89 0.00 0.00 0.50 0.00 0.00 46.19 42.63 3ipr s LEU 68 CO 0.06 -0.97 0.00 -1.20 -1.32 0.00 0.00 176.35 172.92 3ipr n SER 69 N 0.05 -5.32 -5.03 3.68 7.64 -1.26 -4.98 113.62 108.40 3ipr n SER 69 Ca 0.04 0.40 -0.19 0.00 1.01 0.00 0.00 58.87 60.12 3ipr n SER 69 Cb 0.43 -4.39 0.05 0.00 -1.01 0.00 0.00 64.21 59.29 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 -2.35 4.68 0.13 -0.43 0.00 -1.14 -4.84 121.76 117.81 3ipr s ALA 70 Ca 0.00 -2.05 -0.32 0.00 0.00 0.00 0.00 51.96 49.58 3ipr s ALA 70 Cb 0.00 -1.47 -0.10 0.00 0.00 0.00 0.00 23.12 21.54 3ipr s ALA 70 CO 0.00 -0.76 1.56 0.77 0.00 0.00 0.00 175.76 177.33 3ipr h SER 71 N 0.27 -1.68 -0.87 0.00 0.02 -1.94 0.99 113.55 110.33 3ipr h SER 71 Ca -0.32 0.21 0.18 0.00 -0.84 0.00 0.00 61.79 61.03 3ipr h SER 71 Cb 1.29 0.67 -0.11 0.00 0.14 0.00 0.00 62.40 64.39 3ipr h SER 71 CO 0.42 -0.45 0.42 -0.65 -1.14 0.00 0.00 176.83 175.43 3ipr h PRO 72 N -0.51 0.50 -0.41 3.45 0.11 -1.91 0.74 132.00 133.96 3ipr h PRO 72 Ca 0.06 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.99 3ipr h PRO 72 Cb 0.65 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 3ipr h PRO 72 CO -0.48 0.33 -0.32 -0.92 -0.21 0.00 0.00 178.00 176.40 3ipr h TYR 73 N 0.51 1.11 -0.32 0.65 5.03 -1.47 -2.23 116.97 120.25 3ipr h TYR 73 Ca 0.51 -0.31 -0.17 0.00 2.58 0.00 0.00 58.73 61.35 3ipr h TYR 73 Cb 0.86 -0.24 -0.00 0.00 1.55 0.00 0.00 36.73 38.90 3ipr h TYR 73 CO -0.11 1.13 -0.47 -0.91 -1.32 0.00 0.00 178.16 176.47 3ipr h ASN 74 N 0.78 0.93 1.02 -2.11 2.35 0.44 -1.73 115.58 117.27 3ipr h ASN 74 Ca 0.08 -0.47 -0.04 0.00 -0.55 0.00 0.00 56.30 55.32 3ipr h ASN 74 Cb 0.90 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 3ipr h ASN 74 CO 0.08 1.25 -0.21 1.56 -1.65 0.00 0.00 177.43 178.47 3ipr h GLN 75 N 0.68 0.00 -0.04 0.81 7.50 -0.94 -1.38 115.11 121.74 3ipr h GLN 75 Ca 0.03 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.12 3ipr h GLN 75 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.60 3ipr h GLN 75 CO 0.11 0.21 -0.21 0.00 -1.50 0.00 0.00 178.83 177.43 3ipr h ALA 76 N 1.79 0.08 -0.98 3.87 0.00 -1.17 -2.25 119.26 120.60 3ipr h ALA 76 Ca -0.00 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.52 3ipr h ALA 76 Cb 0.77 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 3ipr h ALA 76 CO 0.03 0.06 0.65 0.28 0.00 0.00 0.00 179.25 180.27 3ipr h VAL 77 N -0.37 1.21 0.63 0.00 2.07 -1.17 -1.33 116.25 117.30 3ipr h VAL 77 Ca -0.02 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3ipr h VAL 77 Cb 0.89 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3ipr h VAL 77 CO 0.04 0.24 -0.37 0.25 0.02 0.00 0.00 177.57 177.75 3ipr h LEU 78 N 1.29 -0.94 -0.52 2.57 7.12 -1.22 -2.87 115.31 120.74 3ipr h LEU 78 Ca 0.38 0.05 0.07 0.00 0.13 0.00 0.00 57.88 58.51 3ipr h LEU 78 Cb -0.08 0.27 -0.06 0.00 -0.53 0.00 0.00 40.66 40.26 3ipr h LEU 78 CO -0.10 -0.59 0.19 0.58 -0.13 0.00 0.00 178.44 178.39 3ipr h VAL 79 N -0.94 0.81 0.06 1.05 2.07 -1.15 -3.22 116.25 114.93 3ipr h VAL 79 Ca -0.08 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3ipr h VAL 79 Cb 0.76 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3ipr h VAL 79 CO 0.09 0.07 -0.15 0.40 0.02 0.00 0.00 177.57 177.99 3ipr h ILE 80 N 0.36 0.00 0.00 4.57 2.04 -1.11 -2.91 117.51 120.46 3ipr h ILE 80 Ca 0.25 0.00 -0.67 0.00 1.00 0.00 0.00 64.86 65.44 3ipr h ILE 80 Cb 0.28 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 3ipr h ILE 80 CO -0.26 0.00 3.27 -0.46 0.00 0.00 0.00 178.15 180.70 3ipr n ASN 81 N -3.27 5.36 0.00 1.72 2.04 -1.10 -0.52 115.26 119.49 3ipr n ASN 81 Ca -0.03 -2.71 0.00 0.00 -0.44 0.00 0.00 54.58 51.40 3ipr n ASN 81 Cb 0.12 -1.55 0.00 0.00 -2.53 0.00 0.00 39.78 35.82 3ipr n ASN 81 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 3ipr n GLU 82 N 5.28 0.00 -3.50 -3.83 2.13 -1.10 -4.98 120.64 114.63 3ipr n GLU 82 Ca 0.60 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 58.16 3ipr n GLU 82 Cb 0.33 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.02 3ipr n GLU 82 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3ipr s LEU 83 N 0.00 4.10 -0.08 4.31 1.43 0.32 -5.00 118.68 123.77 3ipr s LEU 83 Ca 0.00 0.45 -0.38 0.00 -1.03 0.00 0.00 54.13 53.17 3ipr s LEU 83 Cb 0.00 -3.28 -0.16 0.00 0.03 0.00 0.00 46.19 42.79 3ipr s LEU 83 CO 0.00 -0.19 1.55 -0.62 0.23 0.00 0.00 176.35 177.32 3ipr n GLU 84 N -1.30 1.23 -0.29 1.70 -0.58 -1.26 -4.59 120.64 115.56 3ipr n GLU 84 Ca -0.05 0.45 -0.02 0.00 -0.42 0.00 0.00 57.16 57.12 3ipr n GLU 84 Cb 0.55 -2.12 0.02 0.00 -0.57 0.00 0.00 31.44 29.31 3ipr n GLU 84 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3ipr n PRO 85 N 4.00 -0.19 -0.31 3.49 -0.02 -1.26 0.76 135.00 141.47 3ipr n PRO 85 Ca 0.22 1.13 0.08 0.00 -2.02 0.00 0.00 63.50 62.91 3ipr n PRO 85 Cb 0.17 -1.67 0.29 0.00 -0.02 0.00 0.00 33.50 32.27 3ipr n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ipr h ALA 86 N 0.92 1.63 0.05 3.55 0.00 -2.02 -2.62 119.26 120.77 3ipr h ALA 86 Ca 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3ipr h ALA 86 Cb 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ipr h ALA 86 CO -0.72 0.17 -0.02 1.25 0.00 0.00 0.00 179.25 179.92 3ipr h LEU 87 N 0.90 -0.05 0.00 0.00 6.46 0.01 -3.17 115.31 119.46 3ipr h LEU 87 Ca 0.44 -0.38 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3ipr h LEU 87 Cb 0.47 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 3ipr h LEU 87 CO -0.20 0.36 0.00 0.00 -0.62 0.00 0.00 178.44 177.97 3ipr n GLN 88 N -4.92 0.00 0.00 1.25 10.64 -0.68 -0.60 117.38 123.06 3ipr n GLN 88 Ca -0.08 0.25 0.12 0.00 -1.83 0.00 0.00 57.00 55.46 3ipr n GLN 88 Cb 0.22 -1.50 0.25 0.00 -0.86 0.00 0.00 30.24 28.35 3ipr n GLN 88 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3ipr n LYS 89 N -1.26 0.21 -0.84 2.61 5.02 -1.17 -3.83 118.16 118.91 3ipr n LYS 89 Ca 0.00 -0.13 -0.01 0.00 -2.02 0.00 0.00 58.31 56.15 3ipr n LYS 89 Cb 0.00 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.28 1.91 -4.10 1.97 5.02 0.23 -4.96 118.16 116.95 3ipr n LYS 90 Ca 0.07 -3.39 -0.25 0.00 -2.02 0.00 0.00 58.31 52.72 3ipr n LYS 90 Cb 0.34 -1.76 -0.17 0.00 -0.02 0.00 0.00 35.03 33.42 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 -3.43 0.95 0.03 -0.18 1.01 -1.25 -1.12 121.20 117.21 3ipr s ILE 91 Ca 0.42 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.86 3ipr s ILE 91 Cb 0.39 -0.95 -0.02 0.00 0.01 0.00 0.00 42.46 41.88 3ipr s ILE 91 CO -0.04 0.34 -0.23 -0.36 0.00 0.00 0.00 174.94 174.65 3ipr s PHE 92 N 1.38 2.00 -0.25 3.97 0.40 -0.62 -4.99 117.98 119.87 3ipr s PHE 92 Ca -0.02 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.88 3ipr s PHE 92 Cb -0.14 -1.22 0.00 0.00 0.51 0.00 0.00 43.02 42.18 3ipr s PHE 92 CO -0.04 0.07 -0.01 0.08 0.70 0.00 0.00 175.22 176.03 3ipr s VAL 93 N -0.73 3.49 -0.10 -0.44 1.01 -1.26 -0.56 120.40 121.81 3ipr s VAL 93 Ca 0.09 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 3ipr s VAL 93 Cb -0.09 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3ipr s VAL 93 CO 0.01 0.28 -0.01 0.68 0.00 0.00 0.00 175.10 176.06 3ipr s VAL 94 N 1.46 4.19 0.31 2.92 -7.23 -0.90 -4.99 120.40 116.16 3ipr s VAL 94 Ca 0.04 -0.29 0.07 0.00 -1.81 0.00 0.00 61.98 59.99 3ipr s VAL 94 Cb -0.16 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 3ipr s VAL 94 CO -0.02 0.58 0.28 -0.44 -0.31 0.00 0.00 175.10 175.20 3ipr s SER 95 N -0.61 5.41 -1.33 4.85 0.01 -1.26 -1.14 113.70 119.62 3ipr s SER 95 Ca 0.10 -0.41 -0.06 0.00 1.31 0.00 0.00 55.95 56.89 3ipr s SER 95 Cb -0.12 -1.11 0.01 0.00 0.21 0.00 0.00 66.02 65.01 3ipr s SER 95 CO 0.02 -0.28 0.86 0.61 0.41 0.00 0.00 173.24 174.86 3ipr n GLY 96 N -1.34 -0.42 3.72 3.44 0.00 -0.74 -4.89 105.19 104.95 3ipr n GLY 96 Ca -0.03 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3ipr n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ipr s THR 97 N -3.22 2.03 0.45 2.61 -4.23 -1.00 -5.00 115.64 107.28 3ipr s THR 97 Ca 0.42 0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.97 3ipr s THR 97 Cb -0.19 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.63 3ipr s THR 97 CO 0.53 0.00 0.07 -0.46 -0.54 0.00 0.00 174.62 174.21 3ipr n ASN 98 N 4.02 2.39 -0.21 3.99 0.23 -1.26 -4.87 115.26 119.55 3ipr n ASN 98 Ca 0.16 -3.15 -0.08 0.00 -0.53 0.00 0.00 54.58 50.98 3ipr n ASN 98 Cb 0.35 0.65 0.03 0.00 -2.08 0.00 0.00 39.78 38.73 3ipr n ASN 98 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3ipr h LEU 99 N 0.00 0.83 -0.66 -4.53 5.85 -1.95 -2.74 115.31 112.11 3ipr h LEU 99 Ca -0.37 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.27 3ipr h LEU 99 Cb 1.22 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.97 3ipr h LEU 99 CO 0.60 0.78 0.29 -0.65 -0.34 0.00 0.00 178.44 179.12 3ipr h PRO 100 N 0.82 0.50 -0.90 5.25 0.11 -1.96 -0.88 132.00 134.93 3ipr h PRO 100 Ca 0.20 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.29 3ipr h PRO 100 Cb 0.22 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.18 3ipr h PRO 100 CO -0.01 0.33 0.60 0.52 -0.21 0.00 0.00 178.00 179.22 3ipr h MET 101 N 0.51 1.19 -0.31 1.05 2.86 -1.81 -0.73 114.93 117.69 3ipr h MET 101 Ca 0.33 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.84 3ipr h MET 101 Cb 0.37 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3ipr h MET 101 CO -0.28 0.79 -0.02 0.28 1.06 0.00 0.00 176.91 178.73 3ipr h VAL 102 N 1.23 1.27 -0.74 -2.22 2.07 -1.08 -0.85 116.25 115.93 3ipr h VAL 102 Ca 0.33 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 3ipr h VAL 102 Cb -0.14 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3ipr h VAL 102 CO -0.07 0.32 0.32 -0.07 0.02 0.00 0.00 177.57 178.09 3ipr h LEU 103 N 0.35 0.99 -0.03 2.57 3.38 -0.89 -0.89 115.31 120.79 3ipr h LEU 103 Ca 0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ipr h LEU 103 Cb 0.48 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3ipr h LEU 103 CO 0.02 0.87 0.01 -0.08 0.09 0.00 0.00 178.44 179.35 3ipr h GLU 104 N 1.07 0.05 0.28 1.13 4.57 -0.99 -1.02 114.58 119.66 3ipr h GLU 104 Ca 0.25 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3ipr h GLU 104 Cb 0.17 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3ipr h GLU 104 CO -0.03 0.16 -0.29 0.00 -1.18 0.00 0.00 179.01 177.68 3ipr h ALA 105 N 0.88 -0.60 -1.04 2.92 0.00 -0.83 -0.73 119.26 119.86 3ipr h ALA 105 Ca 0.01 -0.09 0.27 0.00 0.00 0.00 0.00 54.91 55.10 3ipr h ALA 105 Cb 0.13 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 18.25 3ipr h ALA 105 CO -0.00 -0.87 0.67 0.82 0.00 0.00 0.00 179.25 179.86 3ipr h ILE 106 N -0.60 0.52 -0.40 0.00 2.04 -1.06 0.38 117.51 118.38 3ipr h ILE 106 Ca -0.01 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3ipr h ILE 106 Cb 0.56 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3ipr h ILE 106 CO -0.07 0.07 0.17 -1.13 0.00 0.00 0.00 178.15 177.20 3ipr h ASN 107 N 0.41 0.55 0.25 1.72 -0.00 0.21 -2.35 115.58 116.37 3ipr h ASN 107 Ca 0.60 -0.15 -0.09 0.00 -0.00 0.00 0.00 56.30 56.66 3ipr h ASN 107 Cb 1.49 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 39.66 3ipr h ASN 107 CO -0.31 0.55 -0.37 0.45 -0.00 0.00 0.00 177.43 177.75 3ipr h HIS 108 N 0.51 0.19 -0.36 0.67 3.86 0.67 -2.00 115.15 118.70 3ipr h HIS 108 Ca 0.14 -0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.37 3ipr h HIS 108 Cb 0.17 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.53 3ipr h HIS 108 CO -0.00 0.52 -0.03 1.96 0.86 0.00 0.00 177.93 181.24 3ipr h GLN 109 N 0.15 0.06 0.00 2.45 4.20 -0.32 0.09 115.11 121.73 3ipr h GLN 109 Ca 0.02 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3ipr h GLN 109 Cb 0.73 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3ipr h GLN 109 CO 0.05 0.04 0.00 -0.07 -0.67 0.00 0.00 178.83 178.18 3ipr h LEU 110 N 0.06 0.00 -1.38 1.46 4.07 -1.00 -2.93 115.31 115.59 3ipr h LEU 110 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 3ipr h LEU 110 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 3ipr h LEU 110 CO -0.32 0.00 -0.23 0.18 -1.08 0.00 0.00 178.44 176.99 3ipr n LEU 111 N -2.67 2.37 -1.54 1.67 4.77 -0.47 -4.94 117.00 116.19 3ipr n LEU 111 Ca 0.02 -0.82 -0.20 0.00 -0.03 0.00 0.00 56.01 54.98 3ipr n LEU 111 Cb 0.31 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 3ipr n LEU 111 CO 0.25 0.41 -0.19 0.61 -1.33 0.00 0.00 177.39 177.15 3ipr n GLY 112 N 1.37 1.77 3.75 -0.72 0.00 -0.11 -4.92 105.19 106.33 3ipr n GLY 112 Ca 0.12 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.52 1.36 -1.65 2.61 -1.04 -1.12 -4.88 114.28 107.04 3ipr n THR 113 Ca -0.20 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.05 61.05 3ipr n THR 113 Cb 0.65 -1.92 -0.03 0.00 -1.82 0.00 0.00 70.33 67.20 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 -1.05 3.72 0.36 -2.82 0.02 -1.26 -4.76 135.00 129.20 3ipr s PRO 114 Ca 0.61 2.35 0.23 0.00 0.02 0.00 0.00 61.00 64.21 3ipr s PRO 114 Cb -0.50 -4.25 1.27 0.00 0.02 0.00 0.00 34.50 31.04 3ipr s PRO 114 CO 0.54 -1.44 1.42 1.51 -0.33 0.00 0.00 177.00 178.69 3ipr n ILE 115 N 6.48 -0.31 -0.16 2.83 3.06 -1.26 0.60 119.36 130.59 3ipr n ILE 115 Ca 0.24 1.74 -0.09 0.00 -2.50 0.00 0.00 62.75 62.14 3ipr n ILE 115 Cb 0.43 -2.84 0.00 0.00 0.54 0.00 0.00 39.64 37.77 3ipr n ILE 115 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ipr h ALA 116 N 1.64 0.59 -0.14 1.51 0.00 -1.93 0.24 119.26 121.16 3ipr h ALA 116 Ca 0.78 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.41 3ipr h ALA 116 Cb 2.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 3ipr h ALA 116 CO -0.57 0.21 -0.43 1.49 0.00 0.00 0.00 179.25 179.95 3ipr h GLU 117 N 0.59 0.33 -0.15 0.00 4.81 -0.21 -2.87 114.58 117.08 3ipr h GLU 117 Ca 0.15 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3ipr h GLU 117 Cb 0.22 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 3ipr h GLU 117 CO -0.01 0.71 -0.11 0.00 -0.73 0.00 0.00 179.01 178.86 3ipr h ALA 118 N 1.27 0.22 -0.84 2.92 0.00 -0.75 -2.19 119.26 119.89 3ipr h ALA 118 Ca 0.02 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.69 3ipr h ALA 118 Cb 0.88 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3ipr h ALA 118 CO 0.07 0.07 0.52 0.00 0.00 0.00 0.00 179.25 179.91 3ipr h ALA 119 N 0.64 1.14 -0.81 0.00 0.00 -0.54 0.37 119.26 120.07 3ipr h ALA 119 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ipr h ALA 119 Cb 0.62 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3ipr h ALA 119 CO 0.03 0.28 0.44 1.96 0.00 0.00 0.00 179.25 181.96 3ipr h GLN 120 N 0.96 1.12 -0.26 0.00 4.20 -1.42 -1.31 115.11 118.41 3ipr h GLN 120 Ca 0.36 -0.13 -0.18 0.00 0.06 0.00 0.00 58.65 58.76 3ipr h GLN 120 Cb 0.14 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3ipr h GLN 120 CO -0.16 0.83 -0.52 0.00 -0.67 0.00 0.00 178.83 178.31 3ipr h ALA 121 N 1.23 0.41 -0.65 3.87 0.00 -0.60 -2.58 119.26 120.96 3ipr h ALA 121 Ca 0.28 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3ipr h ALA 121 Cb 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3ipr h ALA 121 CO -0.05 0.61 0.25 0.82 0.00 0.00 0.00 179.25 180.89 3ipr h ILE 122 N 0.57 1.24 -0.58 0.00 2.04 -0.05 -1.16 117.51 119.57 3ipr h ILE 122 Ca 0.01 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 3ipr h ILE 122 Cb 1.13 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 3ipr h ILE 122 CO 0.12 0.30 0.29 0.58 0.00 0.00 0.00 178.15 179.43 3ipr h VAL 123 N 0.91 1.21 -0.39 1.67 2.07 -1.26 -0.25 116.25 120.20 3ipr h VAL 123 Ca 0.21 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3ipr h VAL 123 Cb 0.22 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3ipr h VAL 123 CO -0.02 0.23 0.18 0.00 0.02 0.00 0.00 177.57 177.99 3ipr h ALA 124 N 1.12 0.48 -0.29 1.67 0.00 -1.04 -2.38 119.26 118.82 3ipr h ALA 124 Ca 0.20 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3ipr h ALA 124 Cb 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ipr h ALA 124 CO -0.03 -0.19 -0.14 0.37 0.00 0.00 0.00 179.25 179.27 3ipr h GLN 125 N 0.37 0.61 -0.61 0.00 5.75 -1.07 -2.93 115.11 117.23 3ipr h GLN 125 Ca 0.17 -0.27 0.13 0.00 -0.15 0.00 0.00 58.65 58.53 3ipr h GLN 125 Cb 0.10 -0.02 -0.10 0.00 1.07 0.00 0.00 27.48 28.53 3ipr h GLN 125 CO -0.13 0.84 -0.00 0.78 -2.65 0.00 0.00 178.83 177.66 3ipr h GLY 126 N 0.36 0.64 0.80 2.39 0.00 -0.70 -0.72 103.07 105.83 3ipr h GLY 126 Ca 0.07 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3ipr h GLY 126 CO 0.04 -0.19 0.01 0.50 0.00 0.00 0.00 176.54 176.89 3ipr h LYS 127 N 0.11 0.27 0.00 4.80 1.57 -1.44 -3.01 116.57 118.88 3ipr h LYS 127 Ca 0.32 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3ipr h LYS 127 Cb 0.51 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3ipr h LYS 127 CO -0.52 0.49 -0.09 1.49 -0.57 0.00 0.00 179.45 180.25 3ipr h GLU 128 N 0.02 0.00 0.00 3.15 4.81 -1.24 -2.39 114.58 118.93 3ipr h GLU 128 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3ipr h GLU 128 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3ipr h GLU 128 CO 0.01 0.09 0.00 0.66 -0.73 0.00 0.00 179.01 179.04 3ipr h SER 129 N 0.00 0.00 -3.61 1.04 4.64 -1.01 -3.43 113.55 111.18 3ipr h SER 129 Ca -0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 3ipr h SER 129 Cb 0.18 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.17 3ipr h SER 129 CO 0.01 0.00 0.52 -0.69 -0.87 0.00 0.00 176.83 175.80 3ipr s VAL 130 N -3.27 4.55 0.16 0.95 1.01 -0.90 -5.01 120.40 117.90 3ipr s VAL 130 Ca 0.07 0.78 -0.24 0.00 0.00 0.00 0.00 61.98 62.58 3ipr s VAL 130 Cb 0.09 -4.37 0.06 0.00 0.00 0.00 0.00 36.38 32.16 3ipr s VAL 130 CO 0.57 -0.72 0.81 0.00 0.00 0.00 0.00 175.10 175.76 3ipr s GLN 131 N 3.54 1.32 0.07 2.72 -2.07 -1.26 -5.03 119.66 118.95 3ipr s GLN 131 Ca 0.35 -0.65 0.08 0.00 -1.82 0.00 0.00 55.36 53.32 3ipr s GLN 131 Cb -0.11 0.50 -0.03 0.00 -1.09 0.00 0.00 33.01 32.27 3ipr s GLN 131 CO 0.23 -0.60 -0.20 0.00 -1.32 0.00 0.00 175.29 173.40 3ipr s ALA 132 N -3.53 2.54 0.01 2.60 0.00 -1.26 -5.12 121.76 116.99 3ipr s ALA 132 Ca 0.08 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 50.82 3ipr s ALA 132 Cb -0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 3ipr s ALA 132 CO -0.01 0.57 -0.15 -0.46 0.00 0.00 0.00 175.76 175.71 3ipr s TRP 133 N -0.97 1.29 0.06 0.00 -0.00 -1.26 -5.15 118.94 112.92 3ipr s TRP 133 Ca 0.15 -0.28 -0.10 0.00 -0.00 0.00 0.00 56.10 55.86 3ipr s TRP 133 Cb -0.10 -0.81 0.01 0.00 -0.00 0.00 0.00 33.47 32.57 3ipr s TRP 133 CO 0.06 0.00 0.23 0.16 -0.00 0.00 0.00 176.95 177.40 3ipr s ASP 134 N -0.64 0.02 0.62 5.86 1.47 -1.26 -5.05 116.67 117.69 3ipr s ASP 134 Ca 0.04 -0.44 0.27 0.00 1.18 0.00 0.00 52.55 53.61 3ipr s ASP 134 Cb -0.06 0.33 1.40 0.00 -0.34 0.00 0.00 42.92 44.25 3ipr s ASP 134 CO 0.00 -0.65 1.81 -0.29 0.68 0.00 0.00 175.17 176.71 3ipr h ILE 135 N 3.07 0.19 -0.02 2.11 -0.00 -2.01 -2.01 117.51 118.84 3ipr h ILE 135 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.54 3ipr h ILE 135 Cb 1.20 0.55 -0.00 0.00 -0.00 0.00 0.00 36.82 38.57 3ipr h ILE 135 CO 0.51 0.00 0.01 0.77 -0.00 0.00 0.00 178.15 179.44 3ipr h SER 136 N 0.00 0.00 0.71 2.19 4.64 -1.96 -2.21 113.55 116.92 3ipr h SER 136 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3ipr h SER 136 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3ipr h SER 136 CO -0.00 0.00 0.00 0.24 -0.87 0.00 0.00 176.83 176.20 3ipr h MET 137 N 0.00 0.00 -0.06 4.77 2.86 -1.80 -2.59 114.93 118.11 3ipr h MET 137 Ca 0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3ipr h MET 137 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3ipr h MET 137 CO -0.00 0.00 -0.11 0.25 1.06 0.00 0.00 176.91 178.11 3ipr n THR 138 N -2.63 2.06 -4.34 2.22 -2.24 -0.84 -4.99 114.28 103.52 3ipr n THR 138 Ca 0.01 -2.46 -0.34 0.00 -2.27 0.00 0.00 64.05 58.99 3ipr n THR 138 Cb 0.23 -0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.09 3ipr n THR 138 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ipr s SER 139 N -2.80 4.97 0.00 3.42 0.01 -0.98 -5.13 113.70 113.19 3ipr s SER 139 Ca 0.36 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.55 3ipr s SER 139 Cb 0.32 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.77 3ipr s SER 139 CO 0.01 0.19 0.27 0.49 0.41 0.00 0.00 173.24 174.61