#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipt s LEU 3 N 0.00 4.32 0.31 3.41 2.96 -1.25 -4.03 118.68 124.40 3ipt s LEU 3 Ca 0.00 2.22 -0.29 0.00 -0.22 0.00 0.00 54.13 55.84 3ipt s LEU 3 Cb 0.00 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.05 3ipt s LEU 3 CO 0.00 -0.88 1.27 -2.84 -1.32 0.00 0.00 176.35 172.58 3ipt s PRO 4 N 3.57 4.42 1.19 0.98 0.02 -1.26 -4.93 135.00 138.99 3ipt s PRO 4 Ca 0.71 2.12 -0.15 0.00 0.02 0.00 0.00 61.00 63.70 3ipt s PRO 4 Cb -0.33 -3.11 0.29 0.00 0.02 0.00 0.00 34.50 31.37 3ipt s PRO 4 CO 0.29 -0.11 1.03 0.95 -0.33 0.00 0.00 177.00 178.82 3ipt s THR 5 N -1.01 1.84 0.18 0.99 -4.23 -1.26 -4.07 115.64 108.08 3ipt s THR 5 Ca 0.49 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.87 3ipt s THR 5 Cb -0.38 -2.18 0.09 0.00 1.34 0.00 0.00 72.50 71.36 3ipt s THR 5 CO 0.49 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.41 3ipt h ALA 6 N -2.65 0.74 -0.61 3.99 0.00 -1.93 0.36 119.26 119.17 3ipt h ALA 6 Ca -0.57 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 3ipt h ALA 6 Cb 1.34 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3ipt h ALA 6 CO 0.47 0.19 0.34 1.96 0.00 0.00 0.00 179.25 182.22 3ipt h GLN 7 N 0.79 0.83 -0.29 0.00 4.20 -1.92 -1.64 115.11 117.07 3ipt h GLN 7 Ca 0.21 -0.08 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 3ipt h GLN 7 Cb -0.07 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 3ipt h GLN 7 CO -0.04 0.60 -0.44 0.93 -0.67 0.00 0.00 178.83 179.20 3ipt h GLU 8 N 0.84 0.75 -0.65 1.46 5.08 -1.48 -1.91 114.58 118.66 3ipt h GLU 8 Ca 0.22 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3ipt h GLU 8 Cb 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3ipt h GLU 8 CO -0.04 1.04 0.28 0.28 -1.00 0.00 0.00 179.01 179.57 3ipt h VAL 9 N 0.60 1.23 -0.64 3.13 2.07 0.16 -1.31 116.25 121.49 3ipt h VAL 9 Ca 0.04 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 3ipt h VAL 9 Cb 1.00 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3ipt h VAL 9 CO 0.10 0.29 0.38 1.56 0.02 0.00 0.00 177.57 179.91 3ipt h GLN 10 N 0.92 0.87 0.01 1.57 4.20 -0.95 -1.44 115.11 120.28 3ipt h GLN 10 Ca 0.22 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.66 3ipt h GLN 10 Cb 0.18 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3ipt h GLN 10 CO -0.02 0.61 -0.90 0.78 -0.67 0.00 0.00 178.83 178.63 3ipt h GLY 11 N 0.92 0.16 0.61 3.46 0.00 -0.49 -1.99 103.07 105.74 3ipt h GLY 11 Ca 0.23 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 3ipt h GLY 11 CO -0.04 0.27 -0.11 1.41 0.00 0.00 0.00 176.54 178.07 3ipt h LEU 12 N 0.07 0.22 -0.48 3.11 3.38 -1.03 -0.78 115.31 119.80 3ipt h LEU 12 Ca -0.04 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.43 3ipt h LEU 12 Cb 1.55 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.20 3ipt h LEU 12 CO 0.13 0.71 0.27 0.24 0.09 0.00 0.00 178.44 179.88 3ipt h MET 13 N -0.26 0.52 -0.48 1.13 2.86 -1.28 -0.47 114.93 116.94 3ipt h MET 13 Ca 0.01 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3ipt h MET 13 Cb 0.66 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 3ipt h MET 13 CO 0.02 0.34 0.29 0.00 1.06 0.00 0.00 176.91 178.63 3ipt h ALA 14 N 1.24 1.62 -0.03 6.32 0.00 -1.21 -2.59 119.26 124.59 3ipt h ALA 14 Ca 0.20 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 3ipt h ALA 14 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ipt h ALA 14 CO -0.11 0.34 -0.77 -0.09 0.00 0.00 0.00 179.25 178.62 3ipt h ARG 15 N 0.66 0.24 -0.08 0.00 2.43 0.05 -2.44 114.38 115.24 3ipt h ARG 15 Ca 0.17 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 3ipt h ARG 15 Cb -0.04 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3ipt h ARG 15 CO -0.03 0.89 -0.23 0.66 -1.51 0.00 0.00 179.97 179.74 3ipt h SER 16 N 0.15 0.12 -0.08 -3.80 4.64 -0.75 -1.00 113.55 112.84 3ipt h SER 16 Ca -0.03 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.08 3ipt h SER 16 Cb 1.34 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 63.41 3ipt h SER 16 CO 0.12 0.37 -0.66 0.40 -0.87 0.00 0.00 176.83 176.18 3ipt h ILE 17 N 0.12 1.34 -0.69 0.95 1.08 -1.27 -0.95 117.51 118.09 3ipt h ILE 17 Ca 0.02 -1.97 0.14 0.00 -0.39 0.00 0.00 64.86 62.67 3ipt h ILE 17 Cb 0.48 2.24 -0.10 0.00 -3.07 0.00 0.00 36.82 36.37 3ipt h ILE 17 CO 0.03 0.60 0.14 -0.33 -0.69 0.00 0.00 178.15 177.90 3ipt h GLU 18 N 0.22 0.24 -0.20 2.37 4.39 -0.96 0.26 114.58 120.90 3ipt h GLU 18 Ca -0.06 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 3ipt h GLU 18 Cb 1.32 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3ipt h GLU 18 CO 0.13 0.16 -0.11 -0.07 -1.16 0.00 0.00 179.01 177.96 3ipt h LEU 19 N 0.25 0.44 -0.56 1.33 3.38 -0.62 -2.65 115.31 116.87 3ipt h LEU 19 Ca 0.38 -0.42 0.11 0.00 0.09 0.00 0.00 57.88 58.04 3ipt h LEU 19 Cb 0.62 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.14 3ipt h LEU 19 CO -0.49 0.77 -0.14 0.58 0.09 0.00 0.00 178.44 179.25 3ipt h VAL 20 N 0.11 0.44 -0.71 1.22 2.07 -0.96 0.45 116.25 118.87 3ipt h VAL 20 Ca 0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 3ipt h VAL 20 Cb 0.61 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3ipt h VAL 20 CO 0.03 0.00 0.47 -0.78 0.02 0.00 0.00 177.57 177.31 3ipt h ASP 21 N -0.00 0.64 0.26 0.57 3.58 -0.66 -1.69 116.42 119.12 3ipt h ASP 21 Ca 0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.72 3ipt h ASP 21 Cb 0.41 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.33 3ipt h ASP 21 CO -0.58 0.41 -0.99 1.33 -2.88 0.00 0.00 179.24 176.53 3ipt n VAL 22 N -4.48 0.07 -0.83 2.25 0.24 -0.84 -4.68 118.33 110.05 3ipt n VAL 22 Ca 0.10 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3ipt n VAL 22 Cb 0.23 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 3ipt n VAL 22 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ipt n GLY 23 N 1.43 0.94 3.50 7.63 0.00 0.09 -4.95 105.19 113.84 3ipt n GLY 23 Ca 0.03 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 3ipt n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ipt s ASP 24 N -2.53 6.68 0.08 1.61 -1.08 -0.84 -4.83 116.67 115.78 3ipt s ASP 24 Ca 0.00 -2.06 -0.19 0.00 -0.52 0.00 0.00 52.55 49.78 3ipt s ASP 24 Cb 0.00 -2.47 -0.09 0.00 -1.46 0.00 0.00 42.92 38.90 3ipt s ASP 24 CO 0.00 -1.16 1.54 0.40 0.52 0.00 0.00 175.17 176.47 3ipt h ILE 25 N 5.91 1.23 -0.48 4.11 2.04 -1.92 0.12 117.51 128.53 3ipt h ILE 25 Ca 0.23 -0.79 0.10 0.00 1.00 0.00 0.00 64.86 65.40 3ipt h ILE 25 Cb 0.98 1.32 -0.09 0.00 -0.74 0.00 0.00 36.82 38.29 3ipt h ILE 25 CO 1.27 0.25 -0.07 -0.33 0.00 0.00 0.00 178.15 179.27 3ipt h GLU 26 N 0.17 0.04 -0.48 2.37 5.08 -2.00 -0.96 114.58 118.81 3ipt h GLU 26 Ca 0.07 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 3ipt h GLU 26 Cb 0.34 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3ipt h GLU 26 CO 0.01 0.03 -0.21 0.00 -1.00 0.00 0.00 179.01 177.84 3ipt h ALA 27 N 1.46 0.67 0.02 3.43 0.00 -1.84 -2.49 119.26 120.51 3ipt h ALA 27 Ca 0.24 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3ipt h ALA 27 Cb 0.36 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3ipt h ALA 27 CO -0.46 0.66 -0.21 0.82 0.00 0.00 0.00 179.25 180.06 3ipt h ILE 28 N 0.84 0.51 0.00 0.00 2.04 -0.58 -2.74 117.51 117.59 3ipt h ILE 28 Ca 0.11 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 3ipt h ILE 28 Cb 0.78 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3ipt h ILE 28 CO 0.07 0.00 -0.35 0.58 0.00 0.00 0.00 178.15 178.45 3ipt h VAL 29 N -0.34 1.00 0.00 1.67 2.07 -1.10 -0.62 116.25 118.93 3ipt h VAL 29 Ca 0.05 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3ipt h VAL 29 Cb 0.41 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3ipt h VAL 29 CO -0.18 0.34 0.00 -0.61 0.02 0.00 0.00 177.57 177.14 3ipt h GLN 30 N 0.00 0.00 0.00 1.57 5.75 -1.16 -1.44 115.11 119.83 3ipt h GLN 30 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3ipt h GLN 30 Cb 0.74 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.29 3ipt h GLN 30 CO 0.05 0.00 0.00 0.52 -2.65 0.00 0.00 178.83 176.75 3ipt h MET 31 N 0.00 0.00 -6.35 1.69 2.86 -0.88 -3.45 114.93 108.80 3ipt h MET 31 Ca 0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 3ipt h MET 31 Cb 0.44 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 3ipt h MET 31 CO 0.00 0.00 -0.14 0.71 1.06 0.00 0.00 176.91 178.54 3ipt s TYR 32 N -3.53 3.48 0.91 -0.22 2.02 -0.55 -0.29 117.35 119.17 3ipt s TYR 32 Ca 0.03 0.87 -0.10 0.00 -0.37 0.00 0.00 57.07 57.49 3ipt s TYR 32 Cb 0.08 -2.24 0.14 0.00 -0.40 0.00 0.00 41.96 39.54 3ipt s TYR 32 CO 0.54 0.35 1.14 0.00 -1.57 0.00 0.00 175.55 176.01 3ipt s ALA 33 N -1.68 1.51 0.36 3.71 0.00 0.42 -4.69 121.76 121.39 3ipt s ALA 33 Ca 0.43 0.57 0.24 0.00 0.00 0.00 0.00 51.96 53.20 3ipt s ALA 33 Cb -0.12 -3.44 1.22 0.00 0.00 0.00 0.00 23.12 20.77 3ipt s ALA 33 CO 0.21 -2.71 1.98 0.38 0.00 0.00 0.00 175.76 175.62 3ipt h ASP 34 N -1.84 0.00 -0.42 0.00 2.03 -1.93 -2.61 116.42 111.65 3ipt h ASP 34 Ca -0.43 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 55.59 3ipt h ASP 34 Cb 1.27 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 39.58 3ipt h ASP 34 CO 0.42 0.18 -0.32 -0.90 -1.03 0.00 0.00 179.24 177.60 3ipt n ASP 35 N -3.70 3.33 -4.70 4.15 5.75 -1.26 -1.31 116.55 118.81 3ipt n ASP 35 Ca -0.01 -3.81 -0.31 0.00 -0.01 0.00 0.00 54.79 50.64 3ipt n ASP 35 Cb 0.30 -0.56 0.14 0.00 -1.03 0.00 0.00 41.12 39.97 3ipt n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ipt s ALA 36 N -3.39 1.66 0.01 2.12 0.00 -0.98 -4.42 121.76 116.76 3ipt s ALA 36 Ca 0.46 0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.83 3ipt s ALA 36 Cb 0.41 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 3ipt s ALA 36 CO -0.01 -2.40 -0.22 0.95 0.00 0.00 0.00 175.76 174.09 3ipt s THR 37 N -2.77 1.72 -0.05 0.00 -4.23 -0.67 -0.96 115.64 108.67 3ipt s THR 37 Ca 0.64 -1.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.17 3ipt s THR 37 Cb -0.20 -1.45 -0.01 0.00 1.34 0.00 0.00 72.50 72.18 3ipt s THR 37 CO 0.58 0.38 -0.23 -0.69 -0.54 0.00 0.00 174.62 174.12 3ipt s VAL 38 N -0.62 1.89 -0.23 2.29 1.01 -0.26 -1.30 120.40 123.18 3ipt s VAL 38 Ca 0.08 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3ipt s VAL 38 Cb -0.09 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.74 3ipt s VAL 38 CO 0.00 0.53 -0.09 -1.61 0.00 0.00 0.00 175.10 173.93 3ipt s GLU 39 N -0.13 2.02 -0.27 2.72 2.02 0.85 -1.17 118.70 124.74 3ipt s GLU 39 Ca -0.03 -1.07 -0.01 0.00 0.02 0.00 0.00 54.97 53.88 3ipt s GLU 39 Cb -0.13 -2.65 0.15 0.00 0.10 0.00 0.00 34.13 31.61 3ipt s GLU 39 CO 0.03 -0.52 0.44 1.21 0.02 0.00 0.00 175.26 176.44 3ipt s ASN 40 N 1.29 -0.20 0.47 -0.19 3.84 -1.26 -1.46 114.94 117.43 3ipt s ASN 40 Ca -0.05 0.29 -0.21 0.00 0.21 0.00 0.00 52.86 53.10 3ipt s ASN 40 Cb -0.18 1.40 -0.09 0.00 -0.55 0.00 0.00 41.25 41.83 3ipt s ASN 40 CO -0.07 -0.30 1.04 -2.16 -2.79 0.00 0.00 177.10 172.83 3ipt s PRO 41 N 2.63 3.86 -0.11 0.43 0.04 -1.26 -4.97 135.00 135.61 3ipt s PRO 41 Ca 0.14 1.39 -0.39 0.00 0.04 0.00 0.00 61.00 62.18 3ipt s PRO 41 Cb -0.15 -2.17 -0.17 0.00 0.04 0.00 0.00 34.50 32.05 3ipt s PRO 41 CO -0.20 -0.38 1.49 0.34 0.04 0.00 0.00 177.00 178.29 3ipt n PHE 42 N -0.81 1.65 0.00 0.56 7.35 0.11 -1.82 117.46 124.50 3ipt n PHE 42 Ca 0.09 0.69 0.00 0.00 -0.76 0.00 0.00 57.45 57.47 3ipt n PHE 42 Cb 0.52 -2.35 0.00 0.00 0.35 0.00 0.00 39.48 38.00 3ipt n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ipt n GLY 43 N 3.18 1.10 3.94 7.13 0.00 -1.26 -4.85 105.19 114.43 3ipt n GLY 43 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 3ipt n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ipt s GLN 44 N -0.00 3.06 0.43 1.61 2.00 -0.75 -5.04 119.66 120.96 3ipt s GLN 44 Ca 0.00 -0.36 -0.25 0.00 -2.00 0.00 0.00 55.36 52.75 3ipt s GLN 44 Cb 0.00 -2.49 -0.08 0.00 0.80 0.00 0.00 33.01 31.24 3ipt s GLN 44 CO 0.00 -0.35 1.34 -2.14 -0.50 0.00 0.00 175.29 173.64 3ipt s PRO 45 N -4.65 3.82 0.68 1.67 0.02 -1.26 -4.71 135.00 130.56 3ipt s PRO 45 Ca 0.49 2.23 -0.12 0.00 0.02 0.00 0.00 61.00 63.62 3ipt s PRO 45 Cb -0.10 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.74 3ipt s PRO 45 CO 0.40 -0.64 1.06 -1.25 -0.33 0.00 0.00 177.00 176.24 3ipt s PRO 46 N -2.37 2.95 0.10 5.54 0.04 -1.26 -4.67 135.00 135.33 3ipt s PRO 46 Ca 0.59 1.06 0.07 0.00 0.04 0.00 0.00 61.00 62.76 3ipt s PRO 46 Cb -0.40 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 3ipt s PRO 46 CO 0.51 -1.10 -0.08 0.96 0.04 0.00 0.00 177.00 177.33 3ipt s ILE 47 N -2.85 3.50 0.01 0.56 -4.36 -0.31 -4.95 121.20 112.78 3ipt s ILE 47 Ca 0.60 -1.20 0.04 0.00 -0.26 0.00 0.00 60.65 59.83 3ipt s ILE 47 Cb -0.15 -2.64 -0.01 0.00 1.25 0.00 0.00 42.46 40.91 3ipt s ILE 47 CO 0.50 0.12 -0.13 -1.00 0.24 0.00 0.00 174.94 174.67 3ipt s HIS 48 N -1.23 1.11 0.00 1.37 3.76 -1.26 -1.11 115.29 117.94 3ipt s HIS 48 Ca 0.22 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.87 3ipt s HIS 48 Cb -0.11 -0.70 0.00 0.00 1.11 0.00 0.00 32.58 32.88 3ipt s HIS 48 CO 0.14 -0.00 0.00 0.41 -0.85 0.00 0.00 174.74 174.44 3ipt n GLY 49 N 2.47 0.63 0.37 -2.22 0.00 -0.14 -4.17 105.19 102.13 3ipt n GLY 49 Ca -0.15 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.41 3ipt n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ipt h ARG 50 N 0.00 0.76 -0.36 1.61 3.08 -1.41 -1.90 114.38 116.15 3ipt h ARG 50 Ca 0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3ipt h ARG 50 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3ipt h ARG 50 CO 0.00 0.50 0.19 1.49 -1.07 0.00 0.00 179.97 181.08 3ipt h GLU 51 N 0.78 0.51 -0.05 0.04 4.57 -1.87 0.74 114.58 119.30 3ipt h GLU 51 Ca 0.43 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.47 3ipt h GLU 51 Cb 0.57 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3ipt h GLU 51 CO -0.19 0.44 -0.31 1.96 -1.18 0.00 0.00 179.01 179.73 3ipt h GLN 52 N 0.45 0.10 0.08 1.92 4.20 -1.63 -1.44 115.11 118.78 3ipt h GLN 52 Ca 0.13 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 58.55 3ipt h GLN 52 Cb 0.09 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3ipt h GLN 52 CO -0.02 0.40 -1.11 0.82 -0.67 0.00 0.00 178.83 178.25 3ipt h ILE 53 N 0.09 1.48 -0.17 2.54 2.04 -1.10 -1.23 117.51 121.15 3ipt h ILE 53 Ca 0.01 -2.86 0.02 0.00 1.00 0.00 0.00 64.86 63.04 3ipt h ILE 53 Cb 0.59 2.75 -0.02 0.00 -0.74 0.00 0.00 36.82 39.39 3ipt h ILE 53 CO 0.04 0.84 0.01 0.00 0.00 0.00 0.00 178.15 179.04 3ipt h ALA 54 N 0.68 0.15 -0.39 1.87 0.00 -0.58 -1.19 119.26 119.81 3ipt h ALA 54 Ca -0.11 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ipt h ALA 54 Cb 1.80 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 3ipt h ALA 54 CO 0.18 -0.43 0.24 0.00 0.00 0.00 0.00 179.25 179.25 3ipt h ALA 55 N 1.13 0.49 -0.59 0.00 0.00 -0.99 0.25 119.26 119.56 3ipt h ALA 55 Ca 0.08 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3ipt h ALA 55 Cb 0.09 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 3ipt h ALA 55 CO -0.12 -0.03 -0.53 0.35 0.00 0.00 0.00 179.25 178.93 3ipt h PHE 56 N 0.51 -1.64 -0.47 0.00 3.57 -0.72 -0.85 116.94 117.34 3ipt h PHE 56 Ca 0.14 0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 3ipt h PHE 56 Cb -0.02 0.79 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 3ipt h PHE 56 CO -0.04 -0.41 0.08 1.88 -2.23 0.00 0.00 178.31 177.59 3ipt h TYR 57 N -0.22 0.76 0.39 0.41 0.05 -0.93 0.20 116.97 117.62 3ipt h TYR 57 Ca 0.10 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 3ipt h TYR 57 Cb 0.48 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 3ipt h TYR 57 CO -0.84 0.67 -0.41 0.00 -1.05 0.00 0.00 178.16 176.53 3ipt h ARG 58 N 0.70 -0.80 -0.42 4.88 3.08 -0.13 0.41 114.38 122.11 3ipt h ARG 58 Ca 0.15 0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 3ipt h ARG 58 Cb 0.32 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3ipt h ARG 58 CO 0.00 -0.53 0.01 0.37 -1.07 0.00 0.00 179.97 178.76 3ipt h GLN 59 N -0.83 0.73 -0.45 0.04 5.75 -1.03 -2.72 115.11 116.61 3ipt h GLN 59 Ca -0.03 -0.23 -0.11 0.00 -0.15 0.00 0.00 58.65 58.13 3ipt h GLN 59 Cb 0.74 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.21 3ipt h GLN 59 CO -0.08 0.80 -0.17 0.78 -2.65 0.00 0.00 178.83 177.51 3ipt h GLY 60 N 0.56 0.94 -6.57 2.39 0.00 -0.41 -3.51 103.07 96.46 3ipt h GLY 60 Ca 0.12 -0.78 -0.63 0.00 0.00 0.00 0.00 47.33 46.05 3ipt h GLY 60 CO 0.02 0.71 -0.57 1.08 0.00 0.00 0.00 176.54 177.77 3ipt s LEU 61 N -9.02 3.74 -0.28 3.11 1.43 0.14 -4.97 118.68 112.83 3ipt s LEU 61 Ca -0.10 0.00 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 3ipt s LEU 61 Cb 0.13 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3ipt s LEU 61 CO 0.84 0.10 1.43 -0.75 0.23 0.00 0.00 176.35 178.20 3ipt s LYS 65 N 0.80 3.84 -0.03 1.70 2.20 -1.26 -5.05 119.74 121.94 3ipt s LYS 65 Ca 0.04 1.38 0.02 0.00 -0.36 0.00 0.00 55.97 57.04 3ipt s LYS 65 Cb -0.13 -3.95 0.01 0.00 -1.51 0.00 0.00 37.83 32.25 3ipt s LYS 65 CO 0.02 -1.22 -0.06 0.08 -0.36 0.00 0.00 175.35 173.81 3ipt s VAL 66 N 4.76 0.61 0.21 4.02 1.01 -1.26 -4.59 120.40 125.17 3ipt s VAL 66 Ca 0.62 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 62.48 3ipt s VAL 66 Cb -0.19 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 3ipt s VAL 66 CO 0.26 0.22 -0.15 -0.13 0.00 0.00 0.00 175.10 175.30 3ipt s ARG 67 N 0.49 1.85 -0.11 2.72 0.52 -0.77 -4.80 118.95 118.84 3ipt s ARG 67 Ca -0.07 -1.46 -0.12 0.00 -0.52 0.00 0.00 55.73 53.57 3ipt s ARG 67 Cb -0.11 -1.99 0.03 0.00 0.52 0.00 0.00 34.95 33.40 3ipt s ARG 67 CO 0.00 0.40 0.32 0.00 0.02 0.00 0.00 175.30 176.04 3ipt s ALA 68 N -1.92 -0.79 -0.08 2.13 0.00 -1.26 -0.92 121.76 118.92 3ipt s ALA 68 Ca 0.25 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 52.90 3ipt s ALA 68 Cb -0.08 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.62 3ipt s ALA 68 CO 0.14 -0.16 0.35 0.00 0.00 0.00 0.00 175.76 176.08 3ipt s LEU 70 N -0.46 4.16 0.00 0.00 1.43 -1.26 -1.54 118.68 121.01 3ipt s LEU 70 Ca -0.06 2.66 0.09 0.00 -1.03 0.00 0.00 54.13 55.80 3ipt s LEU 70 Cb -0.04 -3.96 0.12 0.00 0.03 0.00 0.00 46.19 42.35 3ipt s LEU 70 CO 0.02 -0.95 0.91 0.35 0.23 0.00 0.00 176.35 176.92 3ipt n THR 71 N -0.04 0.30 -3.94 5.49 -2.24 -0.38 -4.86 114.28 108.61 3ipt n THR 71 Ca 0.05 -0.65 0.03 0.00 -2.27 0.00 0.00 64.05 61.21 3ipt n THR 71 Cb 0.44 0.98 0.01 0.00 -2.10 0.00 0.00 70.33 69.66 3ipt n THR 71 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3ipt s GLY 72 N -0.82 -0.18 0.84 3.38 0.00 -1.25 -4.99 107.32 104.29 3ipt s GLY 72 Ca 0.13 0.16 -0.11 0.00 0.00 0.00 0.00 44.72 44.90 3ipt s GLY 72 CO 0.12 4.97 1.09 2.56 0.00 0.00 0.00 173.10 181.84 3ipt s PRO 73 N -2.06 1.71 0.19 2.90 0.04 -1.26 -4.62 135.00 131.90 3ipt s PRO 73 Ca 0.28 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 3ipt s PRO 73 Cb 0.00 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 3ipt s PRO 73 CO -0.02 -1.96 0.95 0.08 0.04 0.00 0.00 177.00 176.09 3ipt s VAL 74 N -2.93 4.24 -0.20 -0.36 1.01 -1.26 -4.53 120.40 116.36 3ipt s VAL 74 Ca 0.62 2.08 -0.11 0.00 0.00 0.00 0.00 61.98 64.58 3ipt s VAL 74 Cb -0.17 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 3ipt s VAL 74 CO 0.56 0.43 0.16 -0.13 0.00 0.00 0.00 175.10 176.12 3ipt s ARG 75 N -0.71 4.17 0.05 2.72 3.00 0.31 -4.89 118.95 123.60 3ipt s ARG 75 Ca 0.43 -0.18 0.06 0.00 0.00 0.00 0.00 55.73 56.04 3ipt s ARG 75 Cb -0.25 -3.45 -0.02 0.00 0.00 0.00 0.00 34.95 31.23 3ipt s ARG 75 CO 0.31 0.23 -0.16 0.00 0.00 0.00 0.00 175.30 175.69 3ipt s ALA 76 N 0.55 1.32 0.53 2.13 0.00 -1.26 -0.46 121.76 124.56 3ipt s ALA 76 Ca 0.09 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.22 3ipt s ALA 76 Cb -0.12 -0.20 0.09 0.00 0.00 0.00 0.00 23.12 22.89 3ipt s ALA 76 CO 0.00 0.25 0.73 -1.13 0.00 0.00 0.00 175.76 175.62 3ipt n SER 77 N 1.74 1.92 -1.14 0.00 3.41 -0.51 -4.95 113.62 114.08 3ipt n SER 77 Ca -0.18 -2.40 0.11 0.00 -0.26 0.00 0.00 58.87 56.14 3ipt n SER 77 Cb 0.54 -0.39 0.22 0.00 -0.26 0.00 0.00 64.21 64.33 3ipt n SER 77 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3ipt n HIS 78 N -2.16 0.55 -1.86 7.33 8.25 -1.26 -3.86 115.22 122.20 3ipt n HIS 78 Ca 0.15 -0.29 -0.12 0.00 -0.26 0.00 0.00 57.72 57.21 3ipt n HIS 78 Cb 0.55 -0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.75 3ipt n HIS 78 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ipt n ASN 79 N 1.45 3.58 0.00 0.41 2.04 -1.26 -4.95 115.26 116.54 3ipt n ASN 79 Ca 0.19 -3.79 0.00 0.00 -0.44 0.00 0.00 54.58 50.55 3ipt n ASN 79 Cb 0.59 -0.42 0.00 0.00 -2.53 0.00 0.00 39.78 37.43 3ipt n ASN 79 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3ipt n GLY 80 N -0.87 0.59 3.32 4.83 0.00 -1.26 -4.88 105.19 106.93 3ipt n GLY 80 Ca 0.33 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 3ipt n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ipt s GLY 82 N -3.28 0.24 -0.03 0.00 0.00 -0.53 -1.42 107.32 102.30 3ipt s GLY 82 Ca 0.21 -0.54 -0.10 0.00 0.00 0.00 0.00 44.72 44.29 3ipt s GLY 82 CO 0.05 1.07 0.22 0.00 0.00 0.00 0.00 173.10 174.44 3ipt s ALA 83 N -2.24 -0.54 0.00 3.20 0.00 0.39 -1.42 121.76 121.15 3ipt s ALA 83 Ca 0.19 0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.36 3ipt s ALA 83 Cb -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 3ipt s ALA 83 CO 0.08 -0.19 0.09 0.00 0.00 0.00 0.00 175.76 175.74 3ipt s MET 84 N -0.86 0.39 -0.05 0.00 0.23 -0.46 -0.53 119.30 118.03 3ipt s MET 84 Ca -0.09 -0.38 -0.04 0.00 -1.03 0.00 0.00 55.69 54.15 3ipt s MET 84 Cb -0.05 0.16 -0.04 0.00 -1.53 0.00 0.00 34.83 33.37 3ipt s MET 84 CO 0.02 -0.08 0.16 -1.25 -2.03 0.00 0.00 175.02 171.83 3ipt s PRO 85 N -1.20 3.40 0.28 3.16 0.04 -1.26 -1.57 135.00 137.84 3ipt s PRO 85 Ca -0.13 -0.28 -0.15 0.00 0.04 0.00 0.00 61.00 60.48 3ipt s PRO 85 Cb -0.07 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.38 3ipt s PRO 85 CO 0.01 0.71 0.59 -0.59 0.04 0.00 0.00 177.00 177.75 3ipt s PHE 86 N -1.21 0.20 -0.06 0.56 -0.71 -0.48 -1.24 117.98 115.03 3ipt s PHE 86 Ca 0.23 -0.61 0.03 0.00 -1.04 0.00 0.00 56.93 55.54 3ipt s PHE 86 Cb -0.12 0.41 0.00 0.00 -1.21 0.00 0.00 43.02 42.10 3ipt s PHE 86 CO 0.13 -1.14 -0.15 0.50 -1.34 0.00 0.00 175.22 173.22 3ipt s ARG 87 N -3.77 1.86 -0.19 1.99 3.52 -0.59 -0.76 118.95 121.01 3ipt s ARG 87 Ca 0.18 -0.54 -0.08 0.00 -0.13 0.00 0.00 55.73 55.17 3ipt s ARG 87 Cb -0.03 -1.55 -0.04 0.00 -1.56 0.00 0.00 34.95 31.78 3ipt s ARG 87 CO 0.09 0.14 0.07 0.08 -0.81 0.00 0.00 175.30 174.87 3ipt s VAL 88 N 0.34 4.75 -0.19 7.11 1.01 -0.21 -1.92 120.40 131.30 3ipt s VAL 88 Ca -0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 3ipt s VAL 88 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3ipt s VAL 88 CO 0.04 0.44 0.04 -1.61 0.00 0.00 0.00 175.10 174.01 3ipt s GLU 89 N 0.56 3.87 0.33 2.72 2.02 -0.10 -0.58 118.70 127.51 3ipt s GLU 89 Ca 0.03 -0.40 -0.18 0.00 0.02 0.00 0.00 54.97 54.45 3ipt s GLU 89 Cb -0.13 -3.17 0.06 0.00 0.10 0.00 0.00 34.13 30.99 3ipt s GLU 89 CO 0.01 0.20 0.87 0.00 0.02 0.00 0.00 175.26 176.36 3ipt s MET 90 N 0.55 1.96 -0.10 1.61 0.23 -0.39 -1.85 119.30 121.30 3ipt s MET 90 Ca 0.02 -1.27 -0.09 0.00 -1.03 0.00 0.00 55.69 53.32 3ipt s MET 90 Cb -0.13 0.54 -0.04 0.00 -1.53 0.00 0.00 34.83 33.67 3ipt s MET 90 CO 0.01 -0.92 0.19 0.08 -2.03 0.00 0.00 175.02 172.36 3ipt s VAL 91 N -2.19 5.41 -0.07 5.16 1.01 -1.26 -0.04 120.40 128.41 3ipt s VAL 91 Ca 0.18 0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.48 3ipt s VAL 91 Cb -0.04 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.90 3ipt s VAL 91 CO 0.10 0.60 -0.04 0.86 0.00 0.00 0.00 175.10 176.62 3ipt s TRP 92 N -0.92 0.91 -1.22 5.22 -0.00 -0.44 -4.83 118.94 117.66 3ipt s TRP 92 Ca 0.16 -0.32 0.00 0.00 -0.00 0.00 0.00 56.10 55.94 3ipt s TRP 92 Cb -0.13 -0.87 0.00 0.00 -0.00 0.00 0.00 33.47 32.47 3ipt s TRP 92 CO 0.05 -0.32 0.00 -1.71 -0.00 0.00 0.00 176.95 174.97 3ipt n ASN 93 N 4.69 -4.06 0.00 5.86 4.05 -1.26 -2.03 115.26 122.51 3ipt n ASN 93 Ca -0.15 0.20 0.00 0.00 0.45 0.00 0.00 54.58 55.09 3ipt n ASN 93 Cb 0.50 -3.50 0.00 0.00 1.23 0.00 0.00 39.78 38.01 3ipt n ASN 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3ipt n GLY 94 N -0.71 0.82 3.34 8.20 0.00 -1.26 -5.05 105.19 110.53 3ipt n GLY 94 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 3ipt n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ipt s GLN 95 N -0.67 1.31 0.00 1.61 -0.21 -0.86 -5.11 119.66 115.73 3ipt s GLN 95 Ca 0.00 -1.59 -0.30 0.00 0.02 0.00 0.00 55.36 53.48 3ipt s GLN 95 Cb 0.00 -1.00 -0.04 0.00 1.00 0.00 0.00 33.01 32.97 3ipt s GLN 95 CO 0.00 0.13 1.08 -2.14 -2.12 0.00 0.00 175.29 172.24 3ipt s PRO 96 N -3.69 4.48 0.30 2.91 0.02 -1.26 -1.33 135.00 136.43 3ipt s PRO 96 Ca 0.23 1.56 0.06 0.00 0.02 0.00 0.00 61.00 62.87 3ipt s PRO 96 Cb 0.01 -3.44 -0.06 0.00 0.02 0.00 0.00 34.50 31.03 3ipt s PRO 96 CO 0.06 -0.19 -0.03 0.00 -0.33 0.00 0.00 177.00 176.52 3ipt s ALA 98 N -3.04 1.43 -0.04 0.00 0.00 0.63 -1.27 121.76 119.48 3ipt s ALA 98 Ca 0.32 -1.17 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 3ipt s ALA 98 Cb 0.05 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.09 3ipt s ALA 98 CO 0.13 0.17 0.01 -1.17 0.00 0.00 0.00 175.76 174.91 3ipt s LEU 99 N -2.09 0.95 -0.18 0.00 2.96 0.25 -1.10 118.68 119.48 3ipt s LEU 99 Ca 0.04 -0.01 -0.17 0.00 -0.22 0.00 0.00 54.13 53.77 3ipt s LEU 99 Cb -0.08 -0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.35 3ipt s LEU 99 CO 0.03 -0.13 0.45 -1.81 -1.32 0.00 0.00 176.35 173.56 3ipt s ASP 100 N 1.29 6.53 0.08 3.68 1.01 -0.89 -1.04 116.67 127.33 3ipt s ASP 100 Ca -0.06 0.63 0.04 0.00 0.71 0.00 0.00 52.55 53.87 3ipt s ASP 100 Cb -0.13 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 3ipt s ASP 100 CO -0.02 -0.08 -0.10 -0.69 0.21 0.00 0.00 175.17 174.48 3ipt s VAL 101 N 1.20 0.90 0.00 -1.27 1.01 0.06 -4.75 120.40 117.54 3ipt s VAL 101 Ca 0.22 -1.50 0.07 0.00 0.00 0.00 0.00 61.98 60.78 3ipt s VAL 101 Cb -0.15 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 3ipt s VAL 101 CO 0.09 -0.48 -0.23 -0.63 0.00 0.00 0.00 175.10 173.85 3ipt s ILE 102 N -2.10 1.83 -0.09 2.22 1.01 -0.66 -1.38 121.20 122.03 3ipt s ILE 102 Ca 0.02 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 59.61 3ipt s ILE 102 Cb -0.05 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 3ipt s ILE 102 CO 0.00 0.44 -0.15 -1.81 0.00 0.00 0.00 174.94 173.43 3ipt s ASP 103 N -0.75 3.93 -0.18 3.58 1.11 -0.61 -0.35 116.67 123.41 3ipt s ASP 103 Ca 0.09 -0.29 -0.04 0.00 0.18 0.00 0.00 52.55 52.49 3ipt s ASP 103 Cb -0.09 -1.22 -0.02 0.00 1.07 0.00 0.00 42.92 42.66 3ipt s ASP 103 CO 0.00 0.25 -0.03 -0.69 1.18 0.00 0.00 175.17 175.88 3ipt s VAL 104 N -0.16 3.73 0.24 -1.27 1.01 0.59 -1.35 120.40 123.19 3ipt s VAL 104 Ca -0.01 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.65 3ipt s VAL 104 Cb -0.14 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 3ipt s VAL 104 CO 0.03 0.46 -0.13 -0.04 0.00 0.00 0.00 175.10 175.42 3ipt s MET 105 N 0.81 1.45 -0.15 2.72 -1.94 -0.51 -1.11 119.30 120.57 3ipt s MET 105 Ca -0.01 -1.67 -0.04 0.00 -1.71 0.00 0.00 55.69 52.26 3ipt s MET 105 Cb -0.14 -1.25 0.06 0.00 2.01 0.00 0.00 34.83 35.51 3ipt s MET 105 CO 0.02 0.17 0.10 0.50 -0.01 0.00 0.00 175.02 175.80 3ipt s ARG 106 N -3.64 0.05 0.28 2.03 3.52 -0.52 -1.45 118.95 119.22 3ipt s ARG 106 Ca 0.25 0.04 -0.09 0.00 -0.13 0.00 0.00 55.73 55.81 3ipt s ARG 106 Cb -0.00 -1.51 -0.07 0.00 -1.56 0.00 0.00 34.95 31.81 3ipt s ARG 106 CO 0.09 -0.60 0.60 -0.06 -0.81 0.00 0.00 175.30 174.52 3ipt s PHE 107 N 2.17 3.44 0.32 5.12 0.40 0.34 0.11 117.98 129.88 3ipt s PHE 107 Ca 0.03 0.85 -0.00 0.00 -0.60 0.00 0.00 56.93 57.21 3ipt s PHE 107 Cb -0.15 -2.26 0.06 0.00 0.51 0.00 0.00 43.02 41.18 3ipt s PHE 107 CO -0.08 0.17 0.44 -0.40 0.70 0.00 0.00 175.22 176.05 3ipt n ASP 108 N -0.57 0.57 0.00 1.36 5.68 -0.52 -4.77 116.55 118.31 3ipt n ASP 108 Ca 0.00 -1.49 0.13 0.00 -0.50 0.00 0.00 54.79 52.93 3ipt n ASP 108 Cb 0.53 -0.28 0.67 0.00 -1.14 0.00 0.00 41.12 40.89 3ipt n ASP 108 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3ipt n GLU 109 N -1.81 0.41 -0.10 0.11 0.00 -1.26 -1.53 120.64 116.46 3ipt n GLU 109 Ca 0.07 0.04 0.12 0.00 0.00 0.00 0.00 57.16 57.39 3ipt n GLU 109 Cb 0.26 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.42 3ipt n GLU 109 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3ipt n HIS 110 N -1.26 0.27 -0.91 -1.84 8.25 -1.26 -1.70 115.22 116.76 3ipt n HIS 110 Ca 0.13 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ipt n HIS 110 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3ipt n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ipt n GLY 111 N 1.38 0.45 3.83 -1.41 0.00 -0.58 -4.87 105.19 103.99 3ipt n GLY 111 Ca 0.17 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 3ipt n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ipt s ARG 112 N -1.61 2.99 -0.20 1.61 0.52 -1.26 -4.89 118.95 116.12 3ipt s ARG 112 Ca 0.00 -0.90 -0.29 0.00 -0.52 0.00 0.00 55.73 54.02 3ipt s ARG 112 Cb 0.00 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.78 3ipt s ARG 112 CO 0.00 0.46 1.48 0.42 0.02 0.00 0.00 175.30 177.68 3ipt s ILE 113 N -1.89 3.90 0.04 1.52 1.01 0.60 -1.43 121.20 124.94 3ipt s ILE 113 Ca 0.32 1.05 -0.06 0.00 0.00 0.00 0.00 60.65 61.95 3ipt s ILE 113 Cb -0.09 -3.82 -0.29 0.00 0.01 0.00 0.00 42.46 38.26 3ipt s ILE 113 CO 0.25 -0.26 0.99 -0.61 0.00 0.00 0.00 174.94 175.31 3ipt h GLN 114 N 9.66 0.31 -3.26 2.79 5.75 -0.63 0.12 115.11 129.85 3ipt h GLN 114 Ca -0.31 -0.54 -0.15 0.00 -0.15 0.00 0.00 58.65 57.49 3ipt h GLN 114 Cb 1.13 0.20 -0.23 0.00 1.07 0.00 0.00 27.48 29.65 3ipt h GLN 114 CO 0.99 1.22 -0.43 0.99 -2.65 0.00 0.00 178.83 178.95 3ipt s THR 115 N -2.63 0.04 -0.01 2.39 2.01 -1.05 -1.68 115.64 114.71 3ipt s THR 115 Ca -0.07 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.65 3ipt s THR 115 Cb 0.06 -0.41 -0.00 0.00 0.01 0.00 0.00 72.50 72.17 3ipt s THR 115 CO 0.88 -0.16 -0.06 -0.32 -0.69 0.00 0.00 174.62 174.27 3ipt s MET 116 N -0.59 0.54 -0.06 4.92 1.75 -0.42 -1.44 119.30 124.00 3ipt s MET 116 Ca -0.07 -0.21 0.03 0.00 -1.25 0.00 0.00 55.69 54.20 3ipt s MET 116 Cb -0.04 -0.53 0.00 0.00 2.84 0.00 0.00 34.83 37.11 3ipt s MET 116 CO 0.01 0.11 -0.16 -0.65 -0.65 0.00 0.00 175.02 173.68 3ipt s GLN 117 N -0.02 1.90 -0.24 4.11 -0.21 -0.27 -0.11 119.66 124.82 3ipt s GLN 117 Ca 0.01 -0.55 -0.01 0.00 0.02 0.00 0.00 55.36 54.82 3ipt s GLN 117 Cb -0.04 -1.57 0.03 0.00 1.00 0.00 0.00 33.01 32.43 3ipt s GLN 117 CO -0.00 0.14 -0.08 0.00 -2.12 0.00 0.00 175.29 173.23 3ipt s ALA 118 N 0.35 2.65 -0.33 6.09 0.00 -0.54 -0.30 121.76 129.69 3ipt s ALA 118 Ca -0.10 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.20 3ipt s ALA 118 Cb -0.14 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 3ipt s ALA 118 CO 0.04 -0.79 0.57 0.71 0.00 0.00 0.00 175.76 176.28 3ipt s TYR 119 N 1.30 3.19 -0.22 0.00 1.51 0.53 0.07 117.35 123.74 3ipt s TYR 119 Ca -0.00 0.39 -0.34 0.00 -1.01 0.00 0.00 57.07 56.11 3ipt s TYR 119 Cb -0.16 -2.96 0.15 0.00 -0.11 0.00 0.00 41.96 38.88 3ipt s TYR 119 CO -0.05 -0.50 1.25 1.67 -1.11 0.00 0.00 175.55 176.81 3ipt s TRP 120 N 2.50 -0.11 0.09 2.71 1.48 -1.26 -1.66 118.94 122.70 3ipt s TRP 120 Ca 0.22 0.10 -0.03 0.00 -1.06 0.00 0.00 56.10 55.33 3ipt s TRP 120 Cb -0.15 0.50 0.01 0.00 -1.16 0.00 0.00 33.47 32.67 3ipt s TRP 120 CO 0.13 -0.15 0.17 -1.13 -4.06 0.00 0.00 176.95 171.90 3ipt n SER 121 N 0.09 -0.49 0.26 -2.66 3.41 -1.26 -4.76 113.62 108.20 3ipt n SER 121 Ca 0.00 -1.38 0.18 0.00 -0.26 0.00 0.00 58.87 57.41 3ipt n SER 121 Cb 0.58 0.83 0.85 0.00 -0.26 0.00 0.00 64.21 66.21 3ipt n SER 121 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3ipt h GLU 122 N 0.00 0.00 0.00 4.33 3.07 -2.00 0.25 114.58 120.23 3ipt h GLU 122 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3ipt h GLU 122 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3ipt h GLU 122 CO 0.10 0.00 0.00 -0.39 -1.40 0.00 0.00 179.01 177.32 3ipt h VAL 123 N 0.00 0.00 -0.58 3.13 -1.51 -2.00 -2.31 116.25 112.98 3ipt h VAL 123 Ca 0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 3ipt h VAL 123 Cb 0.21 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 3ipt h VAL 123 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 3ipt n ASN 124 N -2.63 3.57 -4.73 4.19 4.13 0.08 -4.95 115.26 114.92 3ipt n ASN 124 Ca 0.00 -1.99 -0.35 0.00 1.68 0.00 0.00 54.58 53.92 3ipt n ASN 124 Cb 0.18 -0.39 -0.08 0.00 -1.54 0.00 0.00 39.78 37.95 3ipt n ASN 124 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3ipt s LEU 125 N -1.17 4.09 -0.01 3.41 0.20 -0.87 -2.10 118.68 122.23 3ipt s LEU 125 Ca 0.44 0.24 0.02 0.00 0.69 0.00 0.00 54.13 55.51 3ipt s LEU 125 Cb 0.24 -2.03 -0.00 0.00 -0.43 0.00 0.00 46.19 43.96 3ipt s LEU 125 CO 0.32 0.24 -0.06 -0.44 -0.29 0.00 0.00 176.35 176.12 3ipt s SER 126 N -0.04 0.74 0.00 3.68 0.01 -0.25 -4.99 113.70 112.84 3ipt s SER 126 Ca 0.08 -0.11 0.23 0.00 1.31 0.00 0.00 55.95 57.46 3ipt s SER 126 Cb -0.12 -0.11 1.35 0.00 0.21 0.00 0.00 66.02 67.36 3ipt s SER 126 CO 0.00 0.06 1.73 0.55 0.41 0.00 0.00 173.24 175.99