#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 3.17 -4.92 -0.89 7.94 -1.26 -4.45 117.00 116.59 3ipr n LEU 2 Ca 0.00 1.12 -0.28 0.00 -1.11 0.00 0.00 56.01 55.74 3ipr n LEU 2 Cb 0.00 -1.44 -0.03 0.00 0.53 0.00 0.00 43.42 42.48 3ipr n LEU 2 CO 0.00 -0.39 0.11 -0.83 -1.11 0.00 0.00 177.39 175.16 3ipr s GLY 3 N 0.49 1.85 -0.05 -3.96 0.00 -0.66 -4.88 107.32 100.11 3ipr s GLY 3 Ca 0.71 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.75 3ipr s GLY 3 CO 0.46 -0.61 -0.05 -0.42 0.00 0.00 0.00 173.10 172.48 3ipr s ILE 4 N -1.96 0.58 -0.18 0.90 1.01 -0.77 -0.93 121.20 119.85 3ipr s ILE 4 Ca 0.41 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.93 3ipr s ILE 4 Cb -0.11 -0.60 0.03 0.00 0.01 0.00 0.00 42.46 41.79 3ipr s ILE 4 CO 0.29 0.24 -0.16 -0.69 0.00 0.00 0.00 174.94 174.61 3ipr s VAL 5 N 0.91 1.86 -0.35 2.92 1.01 0.03 -0.38 120.40 126.41 3ipr s VAL 5 Ca -0.11 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 3ipr s VAL 5 Cb -0.14 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.49 3ipr s VAL 5 CO 0.00 0.42 0.21 -0.63 0.00 0.00 0.00 175.10 175.11 3ipr s ILE 6 N 1.35 4.91 -0.16 2.22 1.01 0.72 0.54 121.20 131.79 3ipr s ILE 6 Ca 0.03 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.21 3ipr s ILE 6 Cb -0.14 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.75 3ipr s ILE 6 CO -0.11 -0.08 -0.19 0.00 0.00 0.00 0.00 174.94 174.56 3ipr s ALA 7 N 1.64 2.15 0.22 9.38 0.00 -0.05 0.12 121.76 135.22 3ipr s ALA 7 Ca 0.05 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.95 3ipr s ALA 7 Cb -0.18 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 3ipr s ALA 7 CO 0.08 -0.24 0.25 0.25 0.00 0.00 0.00 175.76 176.11 3ipr n THR 8 N 4.46 0.00 -3.11 0.00 -2.24 -0.77 -3.18 114.28 109.43 3ipr n THR 8 Ca -0.20 -1.33 -0.38 0.00 -2.27 0.00 0.00 64.05 59.87 3ipr n THR 8 Cb 0.51 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 3ipr n THR 8 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ipr s HIS 9 N -3.29 3.78 0.00 4.78 3.76 -1.26 -0.98 115.29 122.07 3ipr s HIS 9 Ca 0.22 1.43 0.00 0.00 -0.15 0.00 0.00 55.06 56.56 3ipr s HIS 9 Cb 0.00 -2.63 0.00 0.00 1.11 0.00 0.00 32.58 31.06 3ipr s HIS 9 CO 0.16 0.46 0.00 0.41 -0.85 0.00 0.00 174.74 174.92 3ipr n GLY 10 N 1.27 0.98 0.17 -2.22 0.00 0.64 -3.31 105.19 102.71 3ipr n GLY 10 Ca -0.06 -0.63 0.01 0.00 0.00 0.00 0.00 46.02 45.35 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 4.16 2.49 -0.24 4.61 0.00 -1.26 -4.24 120.51 126.03 3ipr n ALA 11 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 3ipr n ALA 11 Cb 0.00 -0.99 0.11 0.00 0.00 0.00 0.00 19.45 18.57 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 0.49 0.58 -0.15 0.00 5.85 -1.91 -0.51 115.31 119.67 3ipr h LEU 12 Ca 0.00 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3ipr h LEU 12 Cb 0.13 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3ipr h LEU 12 CO 0.00 0.37 -0.05 0.77 -0.34 0.00 0.00 178.44 179.19 3ipr h SER 13 N 0.72 -0.18 -0.54 1.25 4.64 -1.82 -1.59 113.55 116.02 3ipr h SER 13 Ca 0.32 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.65 3ipr h SER 13 Cb 0.21 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3ipr h SER 13 CO -0.19 -0.07 0.20 0.44 -0.87 0.00 0.00 176.83 176.33 3ipr h ASP 14 N -0.03 0.77 -0.76 4.97 3.32 -1.80 -2.43 116.42 120.47 3ipr h ASP 14 Ca 0.08 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 56.97 3ipr h ASP 14 Cb 0.14 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.45 3ipr h ASP 14 CO -0.17 0.75 0.48 1.23 -1.72 0.00 0.00 179.24 179.81 3ipr h GLY 15 N 0.74 1.09 1.03 2.75 0.00 -0.79 0.97 103.07 108.88 3ipr h GLY 15 Ca 0.18 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 3ipr h GLY 15 CO -0.01 0.31 0.18 0.00 0.00 0.00 0.00 176.54 177.01 3ipr h ALA 16 N 1.32 0.86 -0.29 3.60 0.00 -1.18 0.15 119.26 123.73 3ipr h ALA 16 Ca 0.30 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3ipr h ALA 16 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ipr h ALA 16 CO -0.11 0.56 -0.17 -0.22 0.00 0.00 0.00 179.25 179.31 3ipr h LYS 17 N 0.96 0.51 -0.16 0.00 3.64 -0.86 -0.36 116.57 120.31 3ipr h LYS 17 Ca 0.21 -0.16 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 3ipr h LYS 17 Cb 0.34 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3ipr h LYS 17 CO -0.00 0.66 -0.56 0.22 -2.27 0.00 0.00 179.45 177.50 3ipr h ASP 18 N 0.46 0.54 -0.19 4.20 3.58 -0.37 -2.02 116.42 122.63 3ipr h ASP 18 Ca 0.08 -0.29 -0.12 0.00 0.42 0.00 0.00 57.03 57.12 3ipr h ASP 18 Cb 0.56 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 3ipr h ASP 18 CO 0.04 0.98 -0.28 0.00 -2.88 0.00 0.00 179.24 177.10 3ipr h ALA 19 N 1.03 0.90 -0.12 -0.78 0.00 -0.10 -1.81 119.26 118.38 3ipr h ALA 19 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 3ipr h ALA 19 Cb 1.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3ipr h ALA 19 CO 0.10 0.62 -0.47 0.00 0.00 0.00 0.00 179.25 179.50 3ipr h ALA 20 N 1.12 0.98 -0.34 0.00 0.00 -0.94 -2.87 119.26 117.20 3ipr h ALA 20 Ca 0.07 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 3ipr h ALA 20 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3ipr h ALA 20 CO 0.06 0.64 -0.35 1.15 0.00 0.00 0.00 179.25 180.76 3ipr h THR 21 N 0.24 1.28 0.00 0.00 2.02 -1.02 0.32 112.91 115.75 3ipr h THR 21 Ca 0.01 -1.51 -0.05 0.00 0.77 0.00 0.00 66.41 65.64 3ipr h THR 21 Cb 0.92 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 3ipr h THR 21 CO 0.08 0.50 -0.24 0.58 0.37 0.00 0.00 175.52 176.80 3ipr h VAL 22 N 0.65 0.78 0.01 3.16 2.07 -1.23 0.11 116.25 121.80 3ipr h VAL 22 Ca 0.06 -0.97 -0.36 0.00 0.82 0.00 0.00 66.70 66.25 3ipr h VAL 22 Cb 0.89 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 3ipr h VAL 22 CO 0.08 0.23 -1.98 -0.38 0.02 0.00 0.00 177.57 175.55 3ipr n ILE 23 N -3.69 1.54 0.05 4.57 5.41 -1.09 -4.59 119.36 121.56 3ipr n ILE 23 Ca -0.01 -0.26 -0.21 0.00 1.00 0.00 0.00 62.75 63.27 3ipr n ILE 23 Cb 0.36 -1.91 -0.12 0.00 -0.71 0.00 0.00 39.64 37.26 3ipr n ILE 23 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 3ipr h MET 24 N -0.88 0.63 0.00 0.38 2.86 -0.45 -3.48 114.93 113.99 3ipr h MET 24 Ca -0.53 -0.74 0.00 0.00 -2.06 0.00 0.00 59.70 56.36 3ipr h MET 24 Cb 1.53 0.23 0.00 0.00 0.06 0.00 0.00 31.60 33.41 3ipr h MET 24 CO -0.29 1.32 0.00 0.41 1.06 0.00 0.00 176.91 179.41 3ipr n GLY 25 N 1.20 2.00 3.67 8.32 0.00 0.37 -5.03 105.19 115.73 3ipr n GLY 25 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.03 -1.86 0.07 4.61 0.00 -1.25 -4.90 121.76 116.40 3ipr s ALA 26 Ca 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 3ipr s ALA 26 Cb 0.00 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 3ipr s ALA 26 CO 0.00 -0.97 -0.02 0.95 0.00 0.00 0.00 175.76 175.72 3ipr s THR 27 N -2.98 0.22 -0.07 0.00 -4.23 -1.26 -4.75 115.64 102.58 3ipr s THR 27 Ca 0.12 -1.83 -0.03 0.00 -1.18 0.00 0.00 61.69 58.76 3ipr s THR 27 Cb 0.00 -1.62 0.04 0.00 1.34 0.00 0.00 72.50 72.26 3ipr s THR 27 CO -0.01 -0.90 0.15 -0.70 -0.54 0.00 0.00 174.62 172.62 3ipr s GLU 28 N -3.94 0.11 -1.17 3.99 2.56 -1.26 -4.93 118.70 114.06 3ipr s GLU 28 Ca 0.10 0.36 -0.03 0.00 0.00 0.00 0.00 54.97 55.40 3ipr s GLU 28 Cb 0.08 -0.14 0.00 0.00 2.00 0.00 0.00 34.13 36.07 3ipr s GLU 28 CO -0.08 -0.15 1.00 -1.71 -0.56 0.00 0.00 175.26 173.77 3ipr n ASN 29 N 4.04 -3.62 -4.02 -1.70 5.15 -1.26 -4.89 115.26 108.96 3ipr n ASN 29 Ca -0.24 -0.55 -0.30 0.00 -0.60 0.00 0.00 54.58 52.89 3ipr n ASN 29 Cb 0.53 -4.77 -0.16 0.00 -0.53 0.00 0.00 39.78 34.84 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 -3.32 1.56 -0.03 -1.44 1.01 -1.26 -1.85 121.20 115.87 3ipr s ILE 30 Ca 0.21 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.27 3ipr s ILE 30 Cb -0.09 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3ipr s ILE 30 CO 0.68 0.46 -0.11 -1.61 0.00 0.00 0.00 174.94 174.36 3ipr s GLU 31 N 1.41 2.53 -0.04 2.79 0.41 0.49 -5.00 118.70 121.28 3ipr s GLU 31 Ca 0.03 -0.70 0.05 0.00 -0.41 0.00 0.00 54.97 53.94 3ipr s GLU 31 Cb -0.13 -2.44 -0.02 0.00 -1.78 0.00 0.00 34.13 29.75 3ipr s GLU 31 CO -0.09 0.62 -0.17 0.95 -0.49 0.00 0.00 175.26 176.07 3ipr s THR 32 N -0.85 2.79 -0.01 3.63 -4.23 -1.26 -0.20 115.64 115.52 3ipr s THR 32 Ca 0.14 -0.83 0.07 0.00 -1.18 0.00 0.00 61.69 59.89 3ipr s THR 32 Cb -0.11 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.65 3ipr s THR 32 CO 0.03 0.59 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.79 3ipr s VAL 33 N -0.67 1.75 0.00 2.29 1.01 0.12 -4.94 120.40 119.97 3ipr s VAL 33 Ca 0.10 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.15 3ipr s VAL 33 Cb -0.11 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3ipr s VAL 33 CO 0.00 0.45 -0.20 0.20 0.00 0.00 0.00 175.10 175.56 3ipr s ASN 34 N -0.63 2.36 -0.33 3.32 -0.87 -1.26 -1.84 114.94 115.68 3ipr s ASN 34 Ca 0.09 -0.41 -0.01 0.00 -1.57 0.00 0.00 52.86 50.95 3ipr s ASN 34 Cb -0.09 -0.24 0.07 0.00 -0.02 0.00 0.00 41.25 40.98 3ipr s ASN 34 CO -0.00 0.21 0.06 -0.22 -2.57 0.00 0.00 177.10 174.58 3ipr s LEU 35 N -0.71 4.37 0.43 0.60 2.96 -0.15 -4.88 118.68 121.31 3ipr s LEU 35 Ca 0.07 -1.62 0.08 0.00 -0.22 0.00 0.00 54.13 52.45 3ipr s LEU 35 Cb -0.08 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.90 3ipr s LEU 35 CO 0.00 -0.35 0.57 0.20 -1.32 0.00 0.00 176.35 175.45 3ipr s ASN 36 N 1.36 5.62 0.08 3.68 0.01 -1.26 -0.26 114.94 124.17 3ipr s ASN 36 Ca 0.01 -0.45 -0.34 0.00 -0.71 0.00 0.00 52.86 51.37 3ipr s ASN 36 Cb -0.21 -0.62 -0.13 0.00 0.41 0.00 0.00 41.25 40.71 3ipr s ASN 36 CO -0.03 -0.78 1.69 -1.20 -1.51 0.00 0.00 177.10 175.27 3ipr n SER 37 N -1.86 3.29 0.00 -1.22 7.64 -1.26 -1.18 113.62 119.03 3ipr n SER 37 Ca 0.08 1.04 0.00 0.00 1.01 0.00 0.00 58.87 61.00 3ipr n SER 37 Cb 0.59 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 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 3.79 2.70 3.76 0.23 0.00 -1.26 -5.04 105.19 109.37 3ipr n GLY 38 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.58 5.34 -0.33 1.61 1.01 -0.32 -4.99 116.67 117.41 3ipr s ASP 39 Ca 0.00 2.35 -0.17 0.00 0.71 0.00 0.00 52.55 55.45 3ipr s ASP 39 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 3ipr s ASP 39 CO 0.00 -1.49 0.45 -0.62 0.21 0.00 0.00 175.17 173.72 3ipr s ASP 40 N -1.60 6.28 0.29 0.27 -1.08 -1.26 -4.93 116.67 114.64 3ipr s ASP 40 Ca 0.76 0.02 0.16 0.00 -0.52 0.00 0.00 52.55 52.97 3ipr s ASP 40 Cb -0.29 -2.24 0.85 0.00 -1.46 0.00 0.00 42.92 39.78 3ipr s ASP 40 CO 0.32 -0.37 1.42 1.33 0.52 0.00 0.00 175.17 178.39 3ipr n VAL 41 N 5.30 0.91 0.18 1.11 0.24 -1.26 -0.58 118.33 124.22 3ipr n VAL 41 Ca -0.06 0.72 0.02 0.00 -2.04 0.00 0.00 64.34 62.97 3ipr n VAL 41 Cb 0.49 -1.72 0.32 0.00 -1.47 0.00 0.00 33.84 31.47 3ipr n VAL 41 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3ipr h GLN 42 N 0.00 0.00 -0.02 7.34 -0.00 -2.03 -2.89 115.11 117.51 3ipr h GLN 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3ipr h GLN 42 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.76 3ipr h GLN 42 CO 0.00 0.42 -0.17 0.00 0.00 0.00 0.00 178.83 179.08 3ipr n ALA 43 N -2.44 2.89 -0.08 3.38 0.00 0.25 -4.11 120.51 120.41 3ipr n ALA 43 Ca -0.02 -0.52 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 3ipr n ALA 43 Cb 0.46 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 3ipr n ALA 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ipr h LEU 44 N 2.49 0.98 -0.99 0.00 5.85 -1.54 -2.84 115.31 119.27 3ipr h LEU 44 Ca 0.00 -0.54 0.04 0.00 0.84 0.00 0.00 57.88 58.23 3ipr h LEU 44 Cb 0.65 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 3ipr h LEU 44 CO 0.00 1.34 0.65 1.23 -0.34 0.00 0.00 178.44 181.32 3ipr h GLY 45 N 0.68 1.47 1.03 3.75 0.00 -1.71 0.08 103.07 108.37 3ipr h GLY 45 Ca 0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 3ipr h GLY 45 CO 0.13 0.40 0.07 -1.33 0.00 0.00 0.00 176.54 175.81 3ipr h GLY 46 N 1.23 1.04 1.02 4.60 0.00 -1.77 0.22 103.07 109.41 3ipr h GLY 46 Ca 0.40 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 3ipr h GLY 46 CO -0.14 0.66 0.27 1.46 0.00 0.00 0.00 176.54 178.79 3ipr h GLN 47 N 0.86 1.02 -0.08 4.80 4.20 -1.08 -1.03 115.11 123.80 3ipr h GLN 47 Ca 0.17 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3ipr h GLN 47 Cb 0.45 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3ipr h GLN 47 CO 0.02 0.85 0.01 0.82 -0.67 0.00 0.00 178.83 179.85 3ipr h ILE 48 N 0.97 1.23 -0.82 2.54 2.04 -0.77 -1.90 117.51 120.81 3ipr h ILE 48 Ca 0.23 -0.73 0.11 0.00 1.00 0.00 0.00 64.86 65.47 3ipr h ILE 48 Cb 0.21 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 37.78 3ipr h ILE 48 CO -0.02 0.20 0.45 0.50 0.00 0.00 0.00 178.15 179.29 3ipr h LYS 49 N -0.13 0.70 -0.33 2.37 3.64 -0.80 0.29 116.57 122.31 3ipr h LYS 49 Ca 0.02 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 3ipr h LYS 49 Cb 0.31 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3ipr h LYS 49 CO 0.00 0.46 -0.20 1.15 -2.27 0.00 0.00 179.45 178.60 3ipr h THR 50 N 0.72 1.26 -0.27 1.00 2.02 -1.06 -1.40 112.91 115.18 3ipr h THR 50 Ca 0.41 -1.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 3ipr h THR 50 Cb 0.46 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3ipr h THR 50 CO -0.29 0.41 -0.08 0.00 0.37 0.00 0.00 175.52 175.93 3ipr h ALA 51 N 1.22 0.38 -0.43 6.16 0.00 -0.40 -0.44 119.26 125.74 3ipr h ALA 51 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3ipr h ALA 51 Cb 0.66 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ipr h ALA 51 CO 0.05 0.21 0.17 0.82 0.00 0.00 0.00 179.25 180.50 3ipr h ILE 52 N 0.29 1.16 -0.29 0.00 2.04 -0.84 -2.03 117.51 117.84 3ipr h ILE 52 Ca 0.07 -0.51 -0.18 0.00 1.00 0.00 0.00 64.86 65.24 3ipr h ILE 52 Cb 0.57 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3ipr h ILE 52 CO 0.03 0.20 -0.54 -0.33 0.00 0.00 0.00 178.15 177.51 3ipr h GLU 53 N 0.61 0.87 0.00 2.37 5.08 -0.94 -1.84 114.58 120.73 3ipr h GLU 53 Ca 0.15 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 3ipr h GLU 53 Cb 0.12 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3ipr h GLU 53 CO -0.02 1.18 -0.09 -0.91 -1.00 0.00 0.00 179.01 178.17 3ipr h ASN 54 N 0.67 0.00 -0.01 1.42 2.35 -0.39 -3.11 115.58 116.51 3ipr h ASN 54 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3ipr h ASN 54 Cb 1.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.52 3ipr h ASN 54 CO 0.12 0.09 -0.33 1.33 -1.65 0.00 0.00 177.43 176.99 3ipr n VAL 55 N -3.47 0.00 -2.12 2.81 0.24 -0.93 -4.99 118.33 109.88 3ipr n VAL 55 Ca -0.01 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 61.53 3ipr n VAL 55 Cb 0.24 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 33.70 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 -1.72 4.28 0.00 7.34 2.00 -0.70 -4.05 119.66 126.82 3ipr s GLN 56 Ca 0.09 2.12 0.15 0.00 -2.00 0.00 0.00 55.36 55.73 3ipr s GLN 56 Cb 0.10 -3.36 0.25 0.00 0.80 0.00 0.00 33.01 30.80 3ipr s GLN 56 CO 0.36 -0.53 1.08 1.04 -0.50 0.00 0.00 175.29 176.73 3ipr n GLN 57 N 4.52 0.00 -0.96 1.67 6.02 -1.26 -5.00 117.38 122.37 3ipr n GLN 57 Ca 0.13 -1.55 0.00 0.00 -0.01 0.00 0.00 57.00 55.57 3ipr n GLN 57 Cb 0.42 -0.10 0.00 0.00 1.02 0.00 0.00 30.24 31.58 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 0.29 0.88 0.70 1.08 0.00 -1.26 -4.31 105.19 102.58 3ipr n GLY 58 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 2.74 0.00 1.61 9.92 -1.26 -5.03 116.55 124.53 3ipr n ASP 59 Ca 0.00 -1.82 0.00 0.00 -0.53 0.00 0.00 54.79 52.44 3ipr n ASP 59 Cb 0.00 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 3ipr n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ipr n GLY 60 N 0.79 0.86 2.83 0.44 0.00 -1.26 -4.43 105.19 104.42 3ipr n GLY 60 Ca 0.12 -2.02 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.62 -0.08 -0.35 1.61 1.01 -0.23 -1.65 120.40 119.09 3ipr s VAL 61 Ca 0.00 0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 3ipr s VAL 61 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 3ipr s VAL 61 CO 0.00 0.10 0.32 -0.22 0.00 0.00 0.00 175.10 175.30 3ipr s LEU 62 N 1.37 4.51 -0.42 3.92 2.96 -0.11 -2.23 118.68 128.68 3ipr s LEU 62 Ca -0.06 -0.35 -0.15 0.00 -0.22 0.00 0.00 54.13 53.35 3ipr s LEU 62 Cb -0.12 -2.26 0.03 0.00 0.50 0.00 0.00 46.19 44.34 3ipr s LEU 62 CO -0.04 -0.31 0.32 -0.69 -1.32 0.00 0.00 176.35 174.30 3ipr s VAL 63 N 1.90 5.21 -0.25 1.68 1.01 -0.05 -0.79 120.40 129.11 3ipr s VAL 63 Ca 0.09 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 3ipr s VAL 63 Cb -0.17 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 3ipr s VAL 63 CO 0.11 -0.37 0.23 -0.04 0.00 0.00 0.00 175.10 175.03 3ipr s MET 64 N 1.66 4.04 0.25 2.72 1.00 0.19 -1.67 119.30 127.49 3ipr s MET 64 Ca 0.05 -0.18 0.11 0.00 0.00 0.00 0.00 55.69 55.66 3ipr s MET 64 Cb -0.20 -3.59 -0.05 0.00 0.00 0.00 0.00 34.83 30.99 3ipr s MET 64 CO 0.09 -0.07 -0.15 0.14 0.00 0.00 0.00 175.02 175.04 3ipr s VAL 65 N 1.42 2.79 -0.02 -6.03 -7.23 0.29 -0.87 120.40 110.76 3ipr s VAL 65 Ca 0.10 -2.11 -0.24 0.00 -1.81 0.00 0.00 61.98 57.92 3ipr s VAL 65 Cb -0.15 -2.43 -0.20 0.00 0.56 0.00 0.00 36.38 34.16 3ipr s VAL 65 CO 0.08 -0.30 1.20 -2.24 -0.31 0.00 0.00 175.10 173.52 3ipr h ASP 66 N 2.45 0.19 -4.35 4.85 2.03 -1.83 -2.48 116.42 117.29 3ipr h ASP 66 Ca -0.43 -0.60 -0.59 0.00 -0.73 0.00 0.00 57.03 54.68 3ipr h ASP 66 Cb 1.24 -0.06 -0.28 0.00 -0.83 0.00 0.00 39.33 39.41 3ipr h ASP 66 CO 0.57 0.76 -0.85 -0.76 -1.03 0.00 0.00 179.24 177.93 3ipr s LEU 67 N -8.92 2.10 0.05 0.15 1.43 -1.26 -2.37 118.68 109.87 3ipr s LEU 67 Ca -0.15 -0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 52.20 3ipr s LEU 67 Cb 0.02 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 3ipr s LEU 67 CO 0.72 0.21 1.17 -0.22 0.23 0.00 0.00 176.35 178.46 3ipr s LEU 68 N -0.80 4.37 0.00 1.79 2.96 -1.26 -3.17 118.68 122.57 3ipr s LEU 68 Ca 0.08 1.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.96 3ipr s LEU 68 Cb -0.08 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.03 3ipr s LEU 68 CO 0.00 -0.45 0.00 -1.20 -1.32 0.00 0.00 176.35 173.39 3ipr n SER 69 N 3.93 -0.11 -2.22 3.68 7.64 -1.26 -5.01 113.62 120.27 3ipr n SER 69 Ca 0.09 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.94 3ipr n SER 69 Cb 0.47 -0.65 0.02 0.00 -1.01 0.00 0.00 64.21 63.04 3ipr n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ipr n ALA 70 N 1.00 -0.12 0.09 -0.43 0.00 -1.19 -4.72 120.51 115.13 3ipr n ALA 70 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 3ipr n ALA 70 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.38 3ipr n ALA 70 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3ipr h SER 71 N -0.16 -0.14 -0.92 0.00 0.02 -1.95 -1.54 113.55 108.86 3ipr h SER 71 Ca -0.04 -0.11 0.12 0.00 -0.84 0.00 0.00 61.79 60.92 3ipr h SER 71 Cb 0.13 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.62 3ipr h SER 71 CO 0.03 0.02 0.54 -0.65 -1.14 0.00 0.00 176.83 175.63 3ipr h PRO 72 N -0.30 0.81 0.56 3.45 0.11 -1.89 -1.20 132.00 133.54 3ipr h PRO 72 Ca -0.02 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 3ipr h PRO 72 Cb 0.24 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.17 3ipr h PRO 72 CO 0.03 0.54 -0.27 -0.92 -0.21 0.00 0.00 178.00 177.17 3ipr h TYR 73 N 0.84 -0.70 -0.53 0.65 3.20 -1.75 -1.53 116.97 117.16 3ipr h TYR 73 Ca 0.47 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.40 3ipr h TYR 73 Cb 0.52 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.95 3ipr h TYR 73 CO -0.04 -0.37 0.17 -0.91 -1.64 0.00 0.00 178.16 175.37 3ipr h ASN 74 N -0.98 0.14 -0.08 -2.11 2.35 -1.00 -0.24 115.58 113.65 3ipr h ASN 74 Ca -0.08 0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 3ipr h ASN 74 Cb 0.64 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 3ipr h ASN 74 CO 0.13 0.10 -0.30 1.56 -1.65 0.00 0.00 177.43 177.27 3ipr h GLN 75 N 0.33 0.55 -0.04 0.81 1.08 -1.27 0.10 115.11 116.67 3ipr h GLN 75 Ca 0.26 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3ipr h GLN 75 Cb 0.31 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.72 3ipr h GLN 75 CO -0.29 0.79 0.01 0.00 -0.95 0.00 0.00 178.83 178.40 3ipr h ALA 76 N 1.20 0.05 -0.64 3.87 0.00 -0.80 -0.15 119.26 122.79 3ipr h ALA 76 Ca 0.06 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ipr h ALA 76 Cb 0.76 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3ipr h ALA 76 CO 0.06 -0.35 0.40 0.28 0.00 0.00 0.00 179.25 179.64 3ipr h VAL 77 N -0.12 1.08 0.00 0.00 2.07 -0.78 -0.88 116.25 117.62 3ipr h VAL 77 Ca 0.01 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 3ipr h VAL 77 Cb 0.20 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3ipr h VAL 77 CO -0.00 0.14 -0.34 -0.07 0.02 0.00 0.00 177.57 177.33 3ipr h LEU 78 N 0.78 0.00 0.07 2.57 3.38 -0.70 -2.24 115.31 119.17 3ipr h LEU 78 Ca 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3ipr h LEU 78 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3ipr h LEU 78 CO -0.10 0.34 -0.03 0.58 0.09 0.00 0.00 178.44 179.31 3ipr h VAL 79 N 0.00 1.23 -0.87 1.22 2.07 -0.23 -3.19 116.25 116.48 3ipr h VAL 79 Ca -0.00 -1.23 0.13 0.00 0.82 0.00 0.00 66.70 66.41 3ipr h VAL 79 Cb 0.91 2.01 -0.09 0.00 -1.52 0.00 0.00 31.29 32.60 3ipr h VAL 79 CO 0.04 0.30 0.48 0.40 0.02 0.00 0.00 177.57 178.81 3ipr h ILE 80 N -0.67 0.81 -0.83 4.57 2.04 -1.16 -0.41 117.51 121.85 3ipr h ILE 80 Ca -0.01 -0.25 0.24 0.00 1.00 0.00 0.00 64.86 65.84 3ipr h ILE 80 Cb 0.56 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3ipr h ILE 80 CO 0.02 0.13 0.62 -1.13 0.00 0.00 0.00 178.15 177.79 3ipr h ASN 81 N 0.73 0.00 -1.95 1.72 -1.24 -1.39 -2.20 115.58 111.25 3ipr h ASN 81 Ca 0.45 0.00 -0.71 0.00 0.71 0.00 0.00 56.30 56.75 3ipr h ASN 81 Cb 0.55 0.00 -0.32 0.00 0.73 0.00 0.00 38.32 39.27 3ipr h ASN 81 CO -0.31 0.00 0.42 -0.62 -1.29 0.00 0.00 177.43 175.63 3ipr n GLU 82 N -4.22 3.48 -4.37 6.67 -0.58 -0.16 -4.99 120.64 116.46 3ipr n GLU 82 Ca 0.17 -4.13 -0.19 0.00 -0.42 0.00 0.00 57.16 52.60 3ipr n GLU 82 Cb 0.92 -2.30 -0.10 0.00 -0.57 0.00 0.00 31.44 29.39 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 -3.93 1.93 0.04 -4.62 1.43 -0.83 -5.04 118.68 107.67 3ipr s LEU 83 Ca 0.48 -1.36 -0.31 0.00 -1.03 0.00 0.00 54.13 51.92 3ipr s LEU 83 Cb 0.37 -0.18 -0.06 0.00 0.03 0.00 0.00 46.19 46.34 3ipr s LEU 83 CO -0.28 -0.65 1.35 -1.61 0.23 0.00 0.00 176.35 175.39 3ipr s GLU 84 N -3.95 4.33 0.61 1.70 0.41 -1.26 -4.79 118.70 115.74 3ipr s GLU 84 Ca 0.36 1.95 0.25 0.00 -0.41 0.00 0.00 54.97 57.12 3ipr s GLU 84 Cb 0.08 -3.43 0.93 0.00 -1.78 0.00 0.00 34.13 29.93 3ipr s GLU 84 CO 0.14 -0.46 1.36 -1.35 -0.49 0.00 0.00 175.26 174.45 3ipr h PRO 85 N 7.29 0.00 0.43 0.39 0.11 -1.98 0.48 132.00 138.73 3ipr h PRO 85 Ca -0.40 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 3ipr h PRO 85 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ipr h PRO 85 CO 0.87 0.00 -0.21 0.00 -0.21 0.00 0.00 178.00 178.45 3ipr h ALA 86 N 0.61 -0.58 0.55 -0.75 0.00 -2.01 -3.09 119.26 113.99 3ipr h ALA 86 Ca 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3ipr h ALA 86 Cb 2.66 0.22 0.01 0.00 0.00 0.00 0.00 17.79 20.68 3ipr h ALA 86 CO -0.00 -0.70 -0.26 -0.07 0.00 0.00 0.00 179.25 178.21 3ipr h LEU 87 N -0.83 -0.62 -1.79 0.00 3.38 -0.42 -3.27 115.31 111.77 3ipr h LEU 87 Ca -0.06 0.02 0.40 0.00 0.09 0.00 0.00 57.88 58.33 3ipr h LEU 87 Cb 0.55 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 3ipr h LEU 87 CO 0.10 -0.41 0.95 0.06 0.09 0.00 0.00 178.44 179.22 3ipr h GLN 88 N -0.80 0.08 0.00 1.13 3.07 -1.59 0.80 115.11 117.79 3ipr h GLN 88 Ca -0.07 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.66 3ipr h GLN 88 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.10 3ipr h GLN 88 CO 0.12 0.05 0.00 1.63 0.09 0.00 0.00 178.83 180.72 3ipr n LYS 89 N -4.29 0.13 -1.40 0.06 5.02 -1.16 -2.70 118.16 113.81 3ipr n LYS 89 Ca 0.32 0.39 -0.04 0.00 -2.02 0.00 0.00 58.31 56.96 3ipr n LYS 89 Cb 1.39 -1.75 0.11 0.00 -0.02 0.00 0.00 35.03 34.75 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 -1.99 2.02 -3.90 1.97 5.02 0.28 -4.96 118.16 116.60 3ipr n LYS 90 Ca 0.02 -3.42 -0.27 0.00 -2.02 0.00 0.00 58.31 52.63 3ipr n LYS 90 Cb 0.19 -1.60 -0.17 0.00 -0.02 0.00 0.00 35.03 33.43 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 -3.27 1.01 0.06 -0.18 1.01 -1.10 -1.07 121.20 117.66 3ipr s ILE 91 Ca 0.40 -0.30 0.09 0.00 0.00 0.00 0.00 60.65 60.84 3ipr s ILE 91 Cb 0.38 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 3ipr s ILE 91 CO -0.05 0.35 -0.23 -0.36 0.00 0.00 0.00 174.94 174.66 3ipr s PHE 92 N 1.71 2.43 -0.21 3.97 0.40 -0.95 -4.96 117.98 120.38 3ipr s PHE 92 Ca 0.05 -0.34 -0.03 0.00 -0.60 0.00 0.00 56.93 56.01 3ipr s PHE 92 Cb -0.13 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 3ipr s PHE 92 CO -0.08 0.22 -0.07 0.08 0.70 0.00 0.00 175.22 176.07 3ipr s VAL 93 N -0.90 3.19 -0.12 -0.44 1.01 -1.26 -0.87 120.40 121.01 3ipr s VAL 93 Ca 0.13 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 3ipr s VAL 93 Cb -0.10 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 3ipr s VAL 93 CO 0.04 0.45 -0.10 0.68 0.00 0.00 0.00 175.10 176.17 3ipr s VAL 94 N 1.37 3.39 0.26 2.92 -7.23 -0.67 -5.00 120.40 115.44 3ipr s VAL 94 Ca 0.04 -0.55 0.06 0.00 -1.81 0.00 0.00 61.98 59.73 3ipr s VAL 94 Cb -0.14 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 3ipr s VAL 94 CO -0.04 0.53 0.28 -0.44 -0.31 0.00 0.00 175.10 175.12 3ipr s SER 95 N 0.11 5.79 -1.36 4.85 0.01 -1.26 -0.55 113.70 121.29 3ipr s SER 95 Ca -0.04 -0.17 -0.09 0.00 1.31 0.00 0.00 55.95 56.97 3ipr s SER 95 Cb -0.14 -1.49 0.02 0.00 0.21 0.00 0.00 66.02 64.61 3ipr s SER 95 CO 0.04 -0.11 1.15 0.61 0.41 0.00 0.00 173.24 175.34 3ipr n GLY 96 N -1.31 -0.53 3.77 3.44 0.00 -0.95 -4.91 105.19 104.70 3ipr n GLY 96 Ca -0.07 0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.32 2.83 0.43 2.61 -4.23 -1.13 -5.02 115.64 107.80 3ipr s THR 97 Ca 0.54 0.81 0.03 0.00 -1.18 0.00 0.00 61.69 61.89 3ipr s THR 97 Cb -0.24 -3.50 -0.02 0.00 1.34 0.00 0.00 72.50 70.07 3ipr s THR 97 CO 0.74 0.17 0.11 0.54 -0.54 0.00 0.00 174.62 175.64 3ipr s ASN 98 N -0.64 3.05 0.10 3.99 2.20 -1.26 -4.89 114.94 117.48 3ipr s ASN 98 Ca 0.51 -1.68 -0.23 0.00 -0.94 0.00 0.00 52.86 50.51 3ipr s ASN 98 Cb -0.38 0.53 -0.13 0.00 -2.00 0.00 0.00 41.25 39.27 3ipr s ASN 98 CO 0.49 -0.93 1.73 0.25 -2.94 0.00 0.00 177.10 175.70 3ipr h LEU 99 N 1.70 -0.07 -1.14 3.54 5.85 -1.95 -2.72 115.31 120.51 3ipr h LEU 99 Ca -0.37 0.01 0.27 0.00 0.84 0.00 0.00 57.88 58.63 3ipr h LEU 99 Cb 1.28 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 42.23 3ipr h LEU 99 CO 0.59 -0.04 0.63 -0.65 -0.34 0.00 0.00 178.44 178.64 3ipr h PRO 100 N -0.04 0.47 -0.47 5.25 0.11 -1.98 0.43 132.00 135.78 3ipr h PRO 100 Ca 0.01 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.98 3ipr h PRO 100 Cb 0.06 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3ipr h PRO 100 CO -0.03 0.31 -0.18 0.52 -0.21 0.00 0.00 178.00 178.41 3ipr h MET 101 N 0.48 0.95 -0.44 1.05 2.86 -1.82 -1.03 114.93 116.98 3ipr h MET 101 Ca 0.64 -0.39 -0.10 0.00 -2.06 0.00 0.00 59.70 57.79 3ipr h MET 101 Cb 1.40 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.01 3ipr h MET 101 CO -0.42 1.06 -0.14 0.28 1.06 0.00 0.00 176.91 178.75 3ipr h VAL 102 N 0.79 1.26 -0.28 -2.22 2.07 -0.77 -1.15 116.25 115.96 3ipr h VAL 102 Ca 0.11 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 3ipr h VAL 102 Cb 0.75 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3ipr h VAL 102 CO 0.06 0.42 0.05 -0.07 0.02 0.00 0.00 177.57 178.05 3ipr h LEU 103 N 0.72 0.43 -1.20 2.57 3.38 -0.91 -2.00 115.31 118.30 3ipr h LEU 103 Ca 0.12 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3ipr h LEU 103 Cb 0.64 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3ipr h LEU 103 CO 0.04 0.57 0.56 -0.08 0.09 0.00 0.00 178.44 179.62 3ipr h GLU 104 N 0.27 0.96 -0.24 1.13 4.57 -0.92 -0.64 114.58 119.71 3ipr h GLU 104 Ca 0.08 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3ipr h GLU 104 Cb 0.32 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3ipr h GLU 104 CO 0.00 0.63 0.11 0.00 -1.18 0.00 0.00 179.01 178.58 3ipr h ALA 105 N 1.53 0.31 -0.81 2.92 0.00 -0.90 -2.00 119.26 120.31 3ipr h ALA 105 Ca 0.36 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3ipr h ALA 105 Cb 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3ipr h ALA 105 CO -0.12 -0.11 0.41 0.82 0.00 0.00 0.00 179.25 180.24 3ipr h ILE 106 N 0.25 1.25 -0.99 0.00 2.04 -0.69 -0.29 117.51 119.08 3ipr h ILE 106 Ca 0.08 -0.67 0.10 0.00 1.00 0.00 0.00 64.86 65.37 3ipr h ILE 106 Cb 0.14 0.20 -0.08 0.00 -0.74 0.00 0.00 36.82 36.34 3ipr h ILE 106 CO -0.01 0.29 0.63 -1.13 0.00 0.00 0.00 178.15 177.93 3ipr h ASN 107 N 1.14 0.95 0.66 1.72 -0.73 -0.63 -0.90 115.58 117.79 3ipr h ASN 107 Ca 0.28 0.03 -0.13 0.00 1.87 0.00 0.00 56.30 58.36 3ipr h ASN 107 Cb 0.09 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 3ipr h ASN 107 CO -0.04 0.54 -0.60 0.45 -0.37 0.00 0.00 177.43 177.41 3ipr h HIS 108 N 1.04 0.00 -0.14 0.67 3.86 -0.57 -1.05 115.15 118.96 3ipr h HIS 108 Ca 0.47 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.68 3ipr h HIS 108 Cb 0.39 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 3ipr h HIS 108 CO -0.00 0.60 0.07 1.96 0.86 0.00 0.00 177.93 181.42 3ipr h GLN 109 N 0.00 0.20 -0.38 2.45 4.20 0.26 -0.22 115.11 121.62 3ipr h GLN 109 Ca -0.01 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3ipr h GLN 109 Cb 1.09 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 3ipr h GLN 109 CO 0.08 0.22 0.23 -0.07 -0.67 0.00 0.00 178.83 178.62 3ipr h LEU 110 N 0.12 0.46 -0.92 1.46 4.07 -1.19 -2.94 115.31 116.37 3ipr h LEU 110 Ca 0.05 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3ipr h LEU 110 Cb 0.09 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.71 3ipr h LEU 110 CO -0.01 0.38 0.00 -0.07 -1.08 0.00 0.00 178.44 177.66 3ipr h LEU 111 N 0.50 0.00 0.42 1.67 3.38 -1.07 -3.47 115.31 116.74 3ipr h LEU 111 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 3ipr h LEU 111 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3ipr h LEU 111 CO -0.03 0.00 -0.10 0.61 0.09 0.00 0.00 178.44 179.01 3ipr n GLY 112 N 0.39 0.48 3.73 0.83 0.00 -0.12 -4.99 105.19 105.51 3ipr n GLY 112 Ca 0.02 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 3ipr n GLY 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ipr s THR 113 N -2.20 2.65 0.25 2.61 2.01 -1.03 -4.93 115.64 115.00 3ipr s THR 113 Ca 0.00 0.49 -0.31 0.00 0.31 0.00 0.00 61.69 62.18 3ipr s THR 113 Cb 0.00 -3.31 -0.13 0.00 0.01 0.00 0.00 72.50 69.07 3ipr s THR 113 CO 0.00 0.05 1.50 -0.81 -0.69 0.00 0.00 174.62 174.67 3ipr n PRO 114 N 3.47 2.29 -0.16 4.92 -0.04 -1.26 -4.69 135.00 139.53 3ipr n PRO 114 Ca 0.12 0.82 -0.02 0.00 -0.04 0.00 0.00 63.50 64.37 3ipr n PRO 114 Cb 0.39 -2.53 0.05 0.00 -0.04 0.00 0.00 33.50 31.37 3ipr n PRO 114 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3ipr h ILE 115 N 3.23 0.55 -0.91 0.52 2.10 -1.92 0.06 117.51 121.14 3ipr h ILE 115 Ca -0.46 -0.02 0.20 0.00 1.08 0.00 0.00 64.86 65.66 3ipr h ILE 115 Cb 1.25 0.48 -0.11 0.00 -1.09 0.00 0.00 36.82 37.35 3ipr h ILE 115 CO 0.79 0.01 0.46 0.00 -1.08 0.00 0.00 178.15 178.33 3ipr h ALA 116 N 1.48 1.47 0.00 0.18 0.00 -1.92 0.71 119.26 121.18 3ipr h ALA 116 Ca 0.25 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.11 3ipr h ALA 116 Cb 0.39 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3ipr h ALA 116 CO -0.47 -0.23 -0.84 1.49 0.00 0.00 0.00 179.25 179.20 3ipr h GLU 117 N 0.53 0.06 -0.40 0.00 4.81 -1.67 -3.14 114.58 114.77 3ipr h GLU 117 Ca 0.55 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.60 3ipr h GLU 117 Cb 0.95 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3ipr h GLU 117 CO -0.46 0.86 -0.16 0.00 -0.73 0.00 0.00 179.01 178.52 3ipr h ALA 118 N 1.11 0.56 -0.83 2.92 0.00 0.21 -2.64 119.26 120.59 3ipr h ALA 118 Ca -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3ipr h ALA 118 Cb 1.47 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 3ipr h ALA 118 CO 0.12 0.49 0.50 0.00 0.00 0.00 0.00 179.25 180.35 3ipr h ALA 119 N 0.82 1.06 -0.47 0.00 0.00 -0.19 -0.72 119.26 119.76 3ipr h ALA 119 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ipr h ALA 119 Cb 0.71 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3ipr h ALA 119 CO 0.05 0.53 0.20 1.96 0.00 0.00 0.00 179.25 181.99 3ipr h GLN 120 N 1.14 0.69 -0.01 0.00 4.20 -1.48 -1.44 115.11 118.22 3ipr h GLN 120 Ca 0.30 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 3ipr h GLN 120 Cb -0.03 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3ipr h GLN 120 CO -0.05 0.61 -0.23 0.00 -0.67 0.00 0.00 178.83 178.49 3ipr h ALA 121 N 1.05 1.61 -0.01 3.87 0.00 -1.09 -2.39 119.26 122.29 3ipr h ALA 121 Ca 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3ipr h ALA 121 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ipr h ALA 121 CO -0.02 0.30 -0.09 0.82 0.00 0.00 0.00 179.25 180.26 3ipr h ILE 122 N 0.01 1.55 -0.24 0.00 2.04 -0.57 -1.80 117.51 118.50 3ipr h ILE 122 Ca 0.00 -1.76 -0.10 0.00 1.00 0.00 0.00 64.86 64.00 3ipr h ILE 122 Cb 0.41 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 3ipr h ILE 122 CO 0.03 0.47 -0.27 -0.37 0.00 0.00 0.00 178.15 178.01 3ipr h VAL 123 N -0.61 1.27 -0.66 1.67 -1.51 -1.23 0.15 116.25 115.33 3ipr h VAL 123 Ca -0.01 -1.29 -0.03 0.00 -1.23 0.00 0.00 66.70 64.15 3ipr h VAL 123 Cb 0.82 1.38 -0.03 0.00 -2.13 0.00 0.00 31.29 31.32 3ipr h VAL 123 CO 0.02 0.41 0.31 0.00 -1.23 0.00 0.00 177.57 177.08 3ipr h ALA 124 N 1.31 0.85 -0.11 5.19 0.00 -1.50 -1.06 119.26 123.94 3ipr h ALA 124 Ca 0.06 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3ipr h ALA 124 Cb 0.68 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ipr h ALA 124 CO 0.05 0.41 -0.44 0.37 0.00 0.00 0.00 179.25 179.64 3ipr h GLN 125 N 0.91 0.25 -0.46 0.00 5.75 -0.82 -2.74 115.11 118.01 3ipr h GLN 125 Ca 0.22 -0.13 -0.08 0.00 -0.15 0.00 0.00 58.65 58.52 3ipr h GLN 125 Cb 0.13 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 3ipr h GLN 125 CO -0.03 0.65 -0.03 0.78 -2.65 0.00 0.00 178.83 177.55 3ipr h GLY 126 N 1.26 0.89 0.99 2.39 0.00 -0.03 -2.68 103.07 105.88 3ipr h GLY 126 Ca 0.02 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.60 3ipr h GLY 126 CO 0.07 0.62 0.07 0.50 0.00 0.00 0.00 176.54 177.80 3ipr h LYS 127 N 0.67 0.83 -0.20 4.80 1.57 -1.16 -3.09 116.57 119.99 3ipr h LYS 127 Ca 0.13 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3ipr h LYS 127 Cb 0.54 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3ipr h LYS 127 CO 0.03 0.83 -0.18 1.49 -0.57 0.00 0.00 179.45 181.05 3ipr h GLU 128 N 0.70 0.35 0.00 3.15 4.81 -1.45 -2.93 114.58 119.21 3ipr h GLU 128 Ca 0.15 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3ipr h GLU 128 Cb 0.42 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3ipr h GLU 128 CO 0.01 0.53 0.00 0.66 -0.73 0.00 0.00 179.01 179.48 3ipr h SER 129 N 0.32 0.00 -3.56 1.04 4.64 -1.39 -3.42 113.55 111.18 3ipr h SER 129 Ca 0.06 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.76 3ipr h SER 129 Cb 0.52 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.49 3ipr h SER 129 CO 0.03 0.00 0.33 -0.69 -0.87 0.00 0.00 176.83 175.64 3ipr s VAL 130 N -3.63 4.73 0.30 0.95 1.01 -1.11 -5.00 120.40 117.64 3ipr s VAL 130 Ca 0.01 0.70 -0.20 0.00 0.00 0.00 0.00 61.98 62.49 3ipr s VAL 130 Cb 0.09 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.29 3ipr s VAL 130 CO 0.48 -0.50 0.79 0.00 0.00 0.00 0.00 175.10 175.87 3ipr s GLN 131 N 3.10 1.85 0.06 2.72 -2.07 -1.26 -5.04 119.66 119.02 3ipr s GLN 131 Ca 0.30 -1.10 0.04 0.00 -1.82 0.00 0.00 55.36 52.77 3ipr s GLN 131 Cb -0.13 0.58 -0.03 0.00 -1.09 0.00 0.00 33.01 32.34 3ipr s GLN 131 CO 0.18 -0.86 -0.11 0.00 -1.32 0.00 0.00 175.29 173.19 3ipr s ALA 132 N -3.15 0.90 0.08 2.60 0.00 -1.26 -5.16 121.76 115.78 3ipr s ALA 132 Ca 0.13 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.22 3ipr s ALA 132 Cb -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 3ipr s ALA 132 CO 0.08 0.06 -0.11 -0.46 0.00 0.00 0.00 175.76 175.33 3ipr s TRP 133 N -1.45 1.09 -0.02 0.00 -0.00 -1.26 -5.14 118.94 112.16 3ipr s TRP 133 Ca -0.05 -0.57 -0.21 0.00 -0.00 0.00 0.00 56.10 55.28 3ipr s TRP 133 Cb -0.09 -0.60 0.04 0.00 -0.00 0.00 0.00 33.47 32.82 3ipr s TRP 133 CO 0.01 0.02 0.46 0.16 -0.00 0.00 0.00 176.95 177.60 3ipr s ASP 134 N -2.12 -0.37 0.34 5.86 1.47 -1.26 -5.05 116.67 115.53 3ipr s ASP 134 Ca 0.01 0.30 0.16 0.00 1.18 0.00 0.00 52.55 54.21 3ipr s ASP 134 Cb -0.06 0.41 1.17 0.00 -0.34 0.00 0.00 42.92 44.10 3ipr s ASP 134 CO 0.01 -0.54 1.50 0.00 0.68 0.00 0.00 175.17 176.83 3ipr n ILE 135 N 1.04 -0.40 0.65 2.11 0.13 -1.26 -0.40 119.36 121.23 3ipr n ILE 135 Ca -0.20 1.97 0.00 0.00 -1.10 0.00 0.00 62.75 63.41 3ipr n ILE 135 Cb 0.57 -3.13 0.00 0.00 -0.84 0.00 0.00 39.64 36.24 3ipr n ILE 135 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 3ipr n SER 136 N -5.21 1.45 0.00 9.51 3.41 -1.26 -1.53 113.62 120.00 3ipr n SER 136 Ca 0.33 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 3ipr n SER 136 Cb 1.13 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 3ipr n SER 136 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3ipr n MET 137 N 0.48 1.61 0.05 4.33 0.00 0.46 -4.71 117.12 119.34 3ipr n MET 137 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.70 57.60 3ipr n MET 137 Cb 0.26 -0.65 -0.13 0.00 0.00 0.00 0.00 33.22 32.70 3ipr n MET 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3ipr h THR 138 N 0.00 1.42 -2.17 1.12 1.03 -1.36 -3.40 112.91 109.55 3ipr h THR 138 Ca 0.00 -3.14 -0.64 0.00 -0.01 0.00 0.00 66.41 62.62 3ipr h THR 138 Cb 0.26 2.75 -0.14 0.00 -1.07 0.00 0.00 68.15 69.95 3ipr h THR 138 CO 0.00 0.84 0.93 -0.94 -0.01 0.00 0.00 175.52 176.34 3ipr s SER 139 N -6.66 6.45 0.00 0.00 1.04 -0.58 -5.13 113.70 108.81 3ipr s SER 139 Ca -0.02 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.87 3ipr s SER 139 Cb 0.09 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.75 3ipr s SER 139 CO 0.83 -1.31 0.39 0.49 0.98 0.00 0.00 173.24 174.62