#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 4.07 0.32 3.41 2.96 -1.25 -4.05 118.68 124.13 3ipt s LEU 3 Ca 0.00 1.92 -0.29 0.00 -0.22 0.00 0.00 54.13 55.53 3ipt s LEU 3 Cb 0.00 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 43.04 3ipt s LEU 3 CO 0.00 -1.14 1.53 -2.65 -1.32 0.00 0.00 176.35 172.78 3ipt n PRO 4 N 7.46 2.61 -1.18 0.98 -0.02 -1.26 -4.90 135.00 138.69 3ipt n PRO 4 Ca 0.19 0.92 -0.29 0.00 -2.02 0.00 0.00 63.50 62.31 3ipt n PRO 4 Cb 0.44 -2.67 0.18 0.00 -0.02 0.00 0.00 33.50 31.43 3ipt n PRO 4 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ipt s THR 5 N -0.40 2.00 0.24 3.45 -4.23 -1.26 -4.10 115.64 111.34 3ipt s THR 5 Ca 0.61 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.06 3ipt s THR 5 Cb -0.51 -2.50 0.21 0.00 1.34 0.00 0.00 72.50 71.05 3ipt s THR 5 CO 0.54 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 176.47 3ipt h ALA 6 N -1.94 1.17 -0.77 3.99 0.00 -1.93 0.95 119.26 120.73 3ipt h ALA 6 Ca -0.55 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 3ipt h ALA 6 Cb 1.33 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3ipt h ALA 6 CO 0.58 0.27 0.30 1.96 0.00 0.00 0.00 179.25 182.36 3ipt h GLN 7 N 0.96 1.16 -0.38 0.00 4.20 -1.92 -0.39 115.11 118.75 3ipt h GLN 7 Ca 0.37 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 3ipt h GLN 7 Cb 0.17 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3ipt h GLN 7 CO -0.17 0.95 0.12 0.93 -0.67 0.00 0.00 178.83 179.98 3ipt h GLU 8 N 1.13 0.60 -0.36 1.46 5.08 -1.70 -2.31 114.58 118.47 3ipt h GLU 8 Ca 0.26 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 3ipt h GLU 8 Cb 0.23 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3ipt h GLU 8 CO -0.02 0.61 0.03 0.28 -1.00 0.00 0.00 179.01 178.91 3ipt h VAL 9 N 0.47 0.77 -0.74 3.13 2.07 -0.30 -0.90 116.25 120.75 3ipt h VAL 9 Ca 0.12 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3ipt h VAL 9 Cb 0.26 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 3ipt h VAL 9 CO -0.00 0.03 0.46 1.56 0.02 0.00 0.00 177.57 179.63 3ipt h GLN 10 N 0.14 0.85 -0.58 1.57 4.20 -0.72 -1.14 115.11 119.43 3ipt h GLN 10 Ca 0.18 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 3ipt h GLN 10 Cb 0.23 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3ipt h GLN 10 CO -0.26 0.56 0.10 0.78 -0.67 0.00 0.00 178.83 179.34 3ipt h GLY 11 N 0.88 0.99 1.27 3.46 0.00 -0.81 -1.53 103.07 107.33 3ipt h GLY 11 Ca 0.31 -0.62 -0.27 0.00 0.00 0.00 0.00 47.33 46.75 3ipt h GLY 11 CO -0.13 0.58 -1.08 1.41 0.00 0.00 0.00 176.54 177.32 3ipt h LEU 12 N 0.87 0.85 -0.29 3.11 3.38 -0.72 -1.75 115.31 120.77 3ipt h LEU 12 Ca 0.18 -0.71 -0.17 0.00 0.09 0.00 0.00 57.88 57.27 3ipt h LEU 12 Cb 0.38 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ipt h LEU 12 CO 0.01 1.51 -0.50 0.24 0.09 0.00 0.00 178.44 179.79 3ipt h MET 13 N 0.35 0.85 -0.81 1.13 2.86 -1.07 -1.11 114.93 117.13 3ipt h MET 13 Ca -0.14 -0.53 -0.02 0.00 -2.06 0.00 0.00 59.70 56.96 3ipt h MET 13 Cb 1.73 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 33.41 3ipt h MET 13 CO 0.21 1.16 0.44 0.00 1.06 0.00 0.00 176.91 179.77 3ipt h ALA 14 N 0.68 1.24 -0.18 6.32 0.00 -1.24 -2.31 119.26 123.77 3ipt h ALA 14 Ca 0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3ipt h ALA 14 Cb 1.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ipt h ALA 14 CO 0.11 0.61 -0.39 -0.09 0.00 0.00 0.00 179.25 179.49 3ipt h ARG 15 N 1.13 0.41 -0.61 0.00 2.43 -0.73 -2.40 114.38 114.62 3ipt h ARG 15 Ca 0.28 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3ipt h ARG 15 Cb 0.04 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3ipt h ARG 15 CO -0.04 0.74 0.25 0.66 -1.51 0.00 0.00 179.97 180.06 3ipt h SER 16 N 0.34 0.81 -0.20 -3.80 4.64 -0.65 0.25 113.55 114.94 3ipt h SER 16 Ca 0.03 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 3ipt h SER 16 Cb 0.84 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3ipt h SER 16 CO 0.07 0.72 -0.08 0.40 -0.87 0.00 0.00 176.83 177.07 3ipt h ILE 17 N 0.87 1.30 -0.48 0.95 1.08 -1.31 -1.52 117.51 118.40 3ipt h ILE 17 Ca 0.21 -1.11 0.10 0.00 -0.39 0.00 0.00 64.86 63.67 3ipt h ILE 17 Cb 0.17 1.60 -0.10 0.00 -3.07 0.00 0.00 36.82 35.42 3ipt h ILE 17 CO -0.02 0.34 -0.16 -0.33 -0.69 0.00 0.00 178.15 177.29 3ipt h GLU 18 N 0.12 -0.04 -0.40 2.37 4.39 -1.06 0.18 114.58 120.14 3ipt h GLU 18 Ca 0.05 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 3ipt h GLU 18 Cb 0.55 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 3ipt h GLU 18 CO 0.03 -0.03 0.08 -0.07 -1.16 0.00 0.00 179.01 177.86 3ipt h LEU 19 N -0.05 0.62 -0.39 1.33 3.38 -0.68 -1.54 115.31 117.98 3ipt h LEU 19 Ca 0.23 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3ipt h LEU 19 Cb 0.40 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3ipt h LEU 19 CO -0.52 0.71 0.12 0.58 0.09 0.00 0.00 178.44 179.41 3ipt h VAL 20 N 0.51 0.85 -0.51 1.22 2.07 -1.05 0.89 116.25 120.23 3ipt h VAL 20 Ca 0.12 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.59 3ipt h VAL 20 Cb 0.34 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3ipt h VAL 20 CO 0.00 0.05 0.34 -0.78 0.02 0.00 0.00 177.57 177.20 3ipt h ASP 21 N 0.26 0.47 0.63 0.57 3.58 0.04 -0.97 116.42 121.00 3ipt h ASP 21 Ca 0.18 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.63 3ipt h ASP 21 Cb 0.19 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.13 3ipt h ASP 21 CO -0.21 0.32 -0.77 1.33 -2.88 0.00 0.00 179.24 177.03 3ipt n VAL 22 N -4.47 0.22 -1.22 2.25 0.24 -0.64 -4.68 118.33 110.03 3ipt n VAL 22 Ca 0.06 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3ipt n VAL 22 Cb 0.17 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 1.38 0.83 3.50 7.63 0.00 0.21 -4.96 105.19 113.77 3ipt n GLY 23 Ca 0.03 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.68 6.85 0.20 1.61 -1.08 -0.63 -4.84 116.67 116.10 3ipt s ASP 24 Ca 0.00 -2.46 -0.09 0.00 -0.52 0.00 0.00 52.55 49.48 3ipt s ASP 24 Cb 0.00 -2.46 0.13 0.00 -1.46 0.00 0.00 42.92 39.12 3ipt s ASP 24 CO 0.00 -1.01 1.74 0.40 0.52 0.00 0.00 175.17 176.82 3ipt h ILE 25 N 5.41 1.26 -0.75 4.11 2.04 -1.93 0.57 117.51 128.22 3ipt h ILE 25 Ca 0.30 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.30 3ipt h ILE 25 Cb 0.92 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3ipt h ILE 25 CO 1.29 0.34 0.49 -0.33 0.00 0.00 0.00 178.15 179.94 3ipt h GLU 26 N 1.07 0.97 -0.05 2.37 5.08 -2.00 -1.35 114.58 120.68 3ipt h GLU 26 Ca 0.24 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.29 3ipt h GLU 26 Cb 0.27 -0.22 0.02 0.00 0.50 0.00 0.00 28.75 29.32 3ipt h GLU 26 CO -0.01 0.64 -0.95 0.00 -1.00 0.00 0.00 179.01 177.69 3ipt h ALA 27 N 1.29 0.20 -0.40 3.43 0.00 -1.73 -2.37 119.26 119.67 3ipt h ALA 27 Ca 0.28 -0.67 0.07 0.00 0.00 0.00 0.00 54.91 54.60 3ipt h ALA 27 Cb -0.09 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3ipt h ALA 27 CO -0.07 0.69 0.01 0.82 0.00 0.00 0.00 179.25 180.70 3ipt h ILE 28 N 0.44 0.71 -0.18 0.00 2.04 -0.71 -2.71 117.51 117.10 3ipt h ILE 28 Ca -0.10 -0.04 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 3ipt h ILE 28 Cb 1.60 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3ipt h ILE 28 CO 0.19 0.02 -0.34 0.58 0.00 0.00 0.00 178.15 178.60 3ipt h VAL 29 N 0.12 1.29 0.00 1.67 2.07 -1.18 -1.60 116.25 118.62 3ipt h VAL 29 Ca 0.20 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.31 3ipt h VAL 29 Cb 0.27 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3ipt h VAL 29 CO -0.32 0.43 0.00 -0.61 0.02 0.00 0.00 177.57 177.10 3ipt h GLN 30 N 0.33 0.00 0.00 1.57 5.75 -1.11 -1.51 115.11 120.13 3ipt h GLN 30 Ca 0.04 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3ipt h GLN 30 Cb 0.76 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.31 3ipt h GLN 30 CO 0.06 0.00 0.00 0.52 -2.65 0.00 0.00 178.83 176.76 3ipt h MET 31 N 0.00 0.00 -6.19 1.69 2.86 -1.11 -3.45 114.93 108.73 3ipt h MET 31 Ca 0.00 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 3ipt h MET 31 Cb 0.33 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 3ipt h MET 31 CO 0.00 0.00 -0.26 0.71 1.06 0.00 0.00 176.91 178.42 3ipt s TYR 32 N -3.26 3.50 0.73 -0.22 2.02 -0.57 -0.86 117.35 118.69 3ipt s TYR 32 Ca 0.07 0.68 -0.16 0.00 -0.37 0.00 0.00 57.07 57.29 3ipt s TYR 32 Cb 0.10 -2.10 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 3ipt s TYR 32 CO 0.54 0.43 1.08 0.00 -1.57 0.00 0.00 175.55 176.04 3ipt n ALA 33 N 0.31 0.07 -0.04 3.71 0.00 -0.30 -4.71 120.51 119.55 3ipt n ALA 33 Ca -0.04 -0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.23 3ipt n ALA 33 Cb 0.52 -2.19 0.33 0.00 0.00 0.00 0.00 19.45 18.11 3ipt n ALA 33 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3ipt h ASP 34 N -0.25 0.56 -0.57 0.00 2.03 -1.94 -2.38 116.42 113.88 3ipt h ASP 34 Ca -0.48 -0.06 -0.28 0.00 -0.73 0.00 0.00 57.03 55.49 3ipt h ASP 34 Cb 1.33 -0.14 -0.16 0.00 -0.83 0.00 0.00 39.33 39.52 3ipt h ASP 34 CO 0.48 0.51 0.17 -0.90 -1.03 0.00 0.00 179.24 178.46 3ipt n ASP 35 N -4.37 3.07 -4.69 4.15 5.75 -1.26 -1.74 116.55 117.46 3ipt n ASP 35 Ca 0.03 -3.66 -0.32 0.00 -0.01 0.00 0.00 54.79 50.84 3ipt n ASP 35 Cb 0.15 -0.70 0.15 0.00 -1.03 0.00 0.00 41.12 39.68 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 -3.23 1.67 0.04 2.12 0.00 -0.90 -4.31 121.76 117.15 3ipt s ALA 36 Ca 0.49 0.63 0.08 0.00 0.00 0.00 0.00 51.96 53.16 3ipt s ALA 36 Cb 0.43 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3ipt s ALA 36 CO 0.04 -2.51 -0.23 0.95 0.00 0.00 0.00 175.76 174.01 3ipt s THR 37 N -2.53 2.38 -0.05 0.00 -4.23 -0.66 -0.84 115.64 109.70 3ipt s THR 37 Ca 0.68 -1.29 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 3ipt s THR 37 Cb -0.24 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.66 3ipt s THR 37 CO 0.55 0.37 -0.14 -0.69 -0.54 0.00 0.00 174.62 174.18 3ipt s VAL 38 N -0.83 1.23 -0.39 2.29 1.01 -0.41 -1.24 120.40 122.06 3ipt s VAL 38 Ca 0.13 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 3ipt s VAL 38 Cb -0.10 -1.09 0.10 0.00 0.00 0.00 0.00 36.38 35.28 3ipt s VAL 38 CO 0.03 0.37 0.17 -1.61 0.00 0.00 0.00 175.10 174.06 3ipt s GLU 39 N 0.37 2.09 -0.17 2.72 2.02 -0.05 -0.53 118.70 125.14 3ipt s GLU 39 Ca -0.10 -1.71 -0.04 0.00 0.02 0.00 0.00 54.97 53.14 3ipt s GLU 39 Cb -0.13 -3.51 0.07 0.00 0.10 0.00 0.00 34.13 30.65 3ipt s GLU 39 CO 0.03 -0.98 0.15 1.21 0.02 0.00 0.00 175.26 175.69 3ipt s ASN 40 N 1.71 1.77 0.56 -0.19 3.84 -1.26 -0.92 114.94 120.44 3ipt s ASN 40 Ca 0.06 -0.35 -0.18 0.00 0.21 0.00 0.00 52.86 52.60 3ipt s ASN 40 Cb -0.22 0.07 -0.05 0.00 -0.55 0.00 0.00 41.25 40.50 3ipt s ASN 40 CO -0.03 -0.33 1.07 -2.16 -2.79 0.00 0.00 177.10 172.86 3ipt s PRO 41 N 2.23 3.41 0.18 0.43 0.04 -1.26 -4.97 135.00 135.06 3ipt s PRO 41 Ca 0.04 1.34 -0.33 0.00 0.04 0.00 0.00 61.00 62.09 3ipt s PRO 41 Cb -0.15 -2.04 -0.13 0.00 0.04 0.00 0.00 34.50 32.22 3ipt s PRO 41 CO -0.10 -0.75 1.64 0.34 0.04 0.00 0.00 177.00 178.16 3ipt n PHE 42 N -1.64 2.46 0.00 0.56 7.35 0.10 -1.71 117.46 124.58 3ipt n PHE 42 Ca 0.10 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 3ipt n PHE 42 Cb 0.52 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 37.76 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 3.63 2.39 3.95 7.13 0.00 -1.26 -4.88 105.19 116.15 3ipt n GLY 43 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.29 3.18 0.44 1.61 2.00 -0.69 -5.03 119.66 120.87 3ipt s GLN 44 Ca 0.00 -0.46 -0.26 0.00 -2.00 0.00 0.00 55.36 52.64 3ipt s GLN 44 Cb 0.00 -2.59 -0.08 0.00 0.80 0.00 0.00 33.01 31.13 3ipt s GLN 44 CO 0.00 -0.15 1.39 -2.14 -0.50 0.00 0.00 175.29 173.90 3ipt s PRO 45 N -4.48 3.77 0.59 1.67 0.02 -1.26 -4.78 135.00 130.54 3ipt s PRO 45 Ca 0.46 2.35 -0.14 0.00 0.02 0.00 0.00 61.00 63.69 3ipt s PRO 45 Cb -0.10 -2.69 -0.04 0.00 0.02 0.00 0.00 34.50 31.69 3ipt s PRO 45 CO 0.37 -0.72 1.03 -1.25 -0.33 0.00 0.00 177.00 176.10 3ipt s PRO 46 N -2.38 3.48 0.21 5.54 0.04 -1.26 -4.70 135.00 135.93 3ipt s PRO 46 Ca 0.60 1.02 0.06 0.00 0.04 0.00 0.00 61.00 62.71 3ipt s PRO 46 Cb -0.42 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 3ipt s PRO 46 CO 0.54 -0.66 0.21 0.96 0.04 0.00 0.00 177.00 178.09 3ipt s ILE 47 N -2.71 4.66 0.01 0.56 -4.36 0.31 -4.96 121.20 114.71 3ipt s ILE 47 Ca 0.60 -1.18 0.02 0.00 -0.26 0.00 0.00 60.65 59.83 3ipt s ILE 47 Cb -0.13 -3.47 -0.01 0.00 1.25 0.00 0.00 42.46 40.10 3ipt s ILE 47 CO 0.41 -0.25 -0.06 -1.00 0.24 0.00 0.00 174.94 174.29 3ipt s HIS 48 N -1.96 0.48 0.00 1.37 3.76 -1.26 -1.29 115.29 116.39 3ipt s HIS 48 Ca 0.33 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 3ipt s HIS 48 Cb -0.09 -0.30 0.00 0.00 1.11 0.00 0.00 32.58 33.30 3ipt s HIS 48 CO 0.25 -0.04 0.00 0.41 -0.85 0.00 0.00 174.74 174.51 3ipt n GLY 49 N 2.40 -1.34 0.25 -2.22 0.00 -0.02 -4.20 105.19 100.05 3ipt n GLY 49 Ca -0.17 -1.49 0.01 0.00 0.00 0.00 0.00 46.02 44.37 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 0.36 -0.25 1.61 3.08 -1.56 -2.00 114.38 115.62 3ipt h ARG 50 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3ipt h ARG 50 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3ipt h ARG 50 CO 0.00 0.48 0.16 1.49 -1.07 0.00 0.00 179.97 181.03 3ipt h GLU 51 N 0.34 0.33 0.00 0.04 4.57 -1.86 0.56 114.58 118.56 3ipt h GLU 51 Ca 0.07 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 3ipt h GLU 51 Cb 0.40 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3ipt h GLU 51 CO 0.02 0.23 -0.34 1.96 -1.18 0.00 0.00 179.01 179.70 3ipt h GLN 52 N 0.33 0.00 0.02 1.92 4.20 -1.66 -1.01 115.11 118.92 3ipt h GLN 52 Ca 0.09 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.59 3ipt h GLN 52 Cb -0.02 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3ipt h GLN 52 CO -0.02 0.34 -0.99 0.82 -0.67 0.00 0.00 178.83 178.31 3ipt h ILE 53 N 0.00 1.63 -0.37 2.54 2.04 -1.13 -0.98 117.51 121.24 3ipt h ILE 53 Ca -0.00 -3.14 -0.06 0.00 1.00 0.00 0.00 64.86 62.65 3ipt h ILE 53 Cb 0.61 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 3ipt h ILE 53 CO 0.04 0.90 -0.01 0.00 0.00 0.00 0.00 178.15 179.09 3ipt h ALA 54 N 0.96 0.49 -0.52 1.87 0.00 -0.59 -1.52 119.26 119.94 3ipt h ALA 54 Ca -0.04 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3ipt h ALA 54 Cb 1.71 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 3ipt h ALA 54 CO 0.14 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3ipt h ALA 55 N 0.87 0.71 -0.22 0.00 0.00 -0.81 0.26 119.26 120.06 3ipt h ALA 55 Ca 0.10 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3ipt h ALA 55 Cb 0.47 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3ipt h ALA 55 CO 0.02 0.52 -0.15 0.35 0.00 0.00 0.00 179.25 179.99 3ipt h PHE 56 N 0.80 -0.39 -0.19 0.00 3.57 -0.66 -0.63 116.94 119.44 3ipt h PHE 56 Ca 0.15 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.53 3ipt h PHE 56 Cb 0.52 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3ipt h PHE 56 CO 0.04 -0.23 -0.52 1.88 -2.23 0.00 0.00 178.31 177.26 3ipt h TYR 57 N -0.15 0.65 -0.33 0.41 0.05 -0.79 0.49 116.97 117.29 3ipt h TYR 57 Ca 0.12 -0.22 0.07 0.00 0.05 0.00 0.00 58.73 58.76 3ipt h TYR 57 Cb 0.34 -0.13 -0.07 0.00 1.01 0.00 0.00 36.73 37.88 3ipt h TYR 57 CO -0.31 0.93 -0.16 0.00 -1.05 0.00 0.00 178.16 177.57 3ipt h ARG 58 N 0.41 -0.10 0.07 4.88 3.08 -0.07 0.35 114.38 123.00 3ipt h ARG 58 Ca 0.01 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3ipt h ARG 58 Cb 1.04 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3ipt h ARG 58 CO 0.10 -0.07 -0.03 0.37 -1.07 0.00 0.00 179.97 179.26 3ipt h GLN 59 N -0.11 -0.09 -0.31 0.04 5.75 -0.98 -3.20 115.11 116.21 3ipt h GLN 59 Ca 0.17 0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.60 3ipt h GLN 59 Cb 0.36 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 3ipt h GLN 59 CO -0.40 0.44 -0.14 0.78 -2.65 0.00 0.00 178.83 176.86 3ipt h GLY 60 N -0.71 0.57 -6.48 2.39 0.00 -0.81 -3.51 103.07 94.53 3ipt h GLY 60 Ca -0.01 -0.41 -0.61 0.00 0.00 0.00 0.00 47.33 46.30 3ipt h GLY 60 CO 0.02 0.38 -0.50 1.08 0.00 0.00 0.00 176.54 177.51 3ipt s LEU 61 N -8.85 4.15 -0.22 3.11 1.43 0.12 -4.96 118.68 113.46 3ipt s LEU 61 Ca -0.07 0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 3ipt s LEU 61 Cb 0.14 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 3ipt s LEU 61 CO 0.78 0.15 1.49 -0.75 0.23 0.00 0.00 176.35 178.25 3ipt s LYS 65 N 0.55 3.91 -0.01 1.70 2.20 -1.26 -5.02 119.74 121.81 3ipt s LYS 65 Ca 0.07 1.59 0.01 0.00 -0.36 0.00 0.00 55.97 57.29 3ipt s LYS 65 Cb -0.12 -3.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 3ipt s LYS 65 CO -0.00 -1.14 -0.04 0.08 -0.36 0.00 0.00 175.35 173.89 3ipt s VAL 66 N 4.67 0.39 0.07 4.02 1.01 -1.26 -4.29 120.40 125.00 3ipt s VAL 66 Ca 0.65 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.55 3ipt s VAL 66 Cb -0.23 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 3ipt s VAL 66 CO 0.26 0.14 -0.21 -0.13 0.00 0.00 0.00 175.10 175.15 3ipt s ARG 67 N 0.21 1.29 0.01 2.72 0.52 -0.57 -4.84 118.95 118.29 3ipt s ARG 67 Ca -0.02 -1.04 0.00 0.00 -0.52 0.00 0.00 55.73 54.15 3ipt s ARG 67 Cb -0.06 -1.48 -0.01 0.00 0.52 0.00 0.00 34.95 33.92 3ipt s ARG 67 CO -0.00 0.36 -0.02 0.00 0.02 0.00 0.00 175.30 175.66 3ipt s ALA 68 N -0.95 0.07 -0.17 2.13 0.00 -1.26 0.60 121.76 122.19 3ipt s ALA 68 Ca 0.07 -0.30 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 3ipt s ALA 68 Cb -0.09 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.14 3ipt s ALA 68 CO 0.03 -0.08 0.45 0.00 0.00 0.00 0.00 175.76 176.16 3ipt n LEU 70 N 2.91 3.48 -0.70 0.00 4.77 -1.26 -1.57 117.00 124.63 3ipt n LEU 70 Ca -0.14 1.13 0.07 0.00 -0.03 0.00 0.00 56.01 57.04 3ipt n LEU 70 Cb 0.57 -1.48 0.15 0.00 -2.33 0.00 0.00 43.42 40.33 3ipt n LEU 70 CO 0.12 -0.27 0.60 0.35 -1.33 0.00 0.00 177.39 176.86 3ipt n THR 71 N 2.20 0.73 -3.96 -5.08 -2.24 -0.47 -4.86 114.28 100.61 3ipt n THR 71 Ca 0.11 -0.87 0.02 0.00 -2.27 0.00 0.00 64.05 61.05 3ipt n THR 71 Cb 0.33 0.71 0.01 0.00 -2.10 0.00 0.00 70.33 69.27 3ipt n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ipt n GLY 72 N 0.72 0.35 3.80 3.38 0.00 -1.25 -5.00 105.19 107.18 3ipt n GLY 72 Ca 0.12 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 3ipt n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ipt s PRO 73 N -2.01 2.56 0.19 1.61 0.04 -1.26 -4.57 135.00 131.56 3ipt s PRO 73 Ca 0.20 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 3ipt s PRO 73 Cb -0.00 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 3ipt s PRO 73 CO -0.01 -1.39 1.02 0.08 0.04 0.00 0.00 177.00 176.75 3ipt s VAL 74 N -2.99 4.05 -0.38 -0.36 1.01 -1.26 -4.56 120.40 115.91 3ipt s VAL 74 Ca 0.60 1.85 -0.17 0.00 0.00 0.00 0.00 61.98 64.26 3ipt s VAL 74 Cb -0.15 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.05 3ipt s VAL 74 CO 0.55 0.36 0.43 -0.13 0.00 0.00 0.00 175.10 176.31 3ipt s ARG 75 N -0.62 3.39 0.25 2.72 3.00 0.21 -4.94 118.95 122.97 3ipt s ARG 75 Ca 0.46 -0.49 0.07 0.00 0.00 0.00 0.00 55.73 55.77 3ipt s ARG 75 Cb -0.27 -3.87 -0.04 0.00 0.00 0.00 0.00 34.95 30.77 3ipt s ARG 75 CO 0.34 -0.69 0.17 0.00 0.00 0.00 0.00 175.30 175.11 3ipt s ALA 76 N 2.17 3.53 0.13 2.13 0.00 -1.26 -0.86 121.76 127.60 3ipt s ALA 76 Ca 0.14 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.66 3ipt s ALA 76 Cb -0.16 -1.24 -0.00 0.00 0.00 0.00 0.00 23.12 21.72 3ipt s ALA 76 CO 0.13 0.26 0.04 -1.13 0.00 0.00 0.00 175.76 175.06 3ipt n SER 77 N -1.13 1.20 -1.07 0.00 3.41 -0.43 -4.98 113.62 110.62 3ipt n SER 77 Ca -0.08 -1.66 0.10 0.00 -0.26 0.00 0.00 58.87 56.97 3ipt n SER 77 Cb 0.58 0.29 0.26 0.00 -0.26 0.00 0.00 64.21 65.08 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 -0.29 0.75 -2.02 7.33 8.25 -1.26 -3.96 115.22 124.02 3ipt n HIS 78 Ca -0.02 -0.37 -0.17 0.00 -0.26 0.00 0.00 57.72 56.89 3ipt n HIS 78 Cb 0.19 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.35 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 1.21 4.13 -0.13 0.41 2.04 -1.26 -4.94 115.26 116.71 3ipt n ASN 79 Ca 0.20 -3.63 -0.02 0.00 -0.44 0.00 0.00 54.58 50.69 3ipt n ASN 79 Cb 0.50 -0.38 -0.01 0.00 -2.53 0.00 0.00 39.78 37.36 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 -0.75 0.53 3.37 4.83 0.00 -1.25 -4.90 105.19 107.02 3ipt n GLY 80 Ca 0.37 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.36 -0.23 0.05 0.00 0.00 -0.62 -1.31 107.32 101.85 3ipt s GLY 82 Ca 0.25 0.16 0.02 0.00 0.00 0.00 0.00 44.72 45.14 3ipt s GLY 82 CO 0.09 0.17 -0.08 0.00 0.00 0.00 0.00 173.10 173.28 3ipt s ALA 83 N -3.10 0.63 -0.04 3.20 0.00 -0.04 -1.38 121.76 121.03 3ipt s ALA 83 Ca 0.13 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.11 3ipt s ALA 83 Cb -0.01 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.19 3ipt s ALA 83 CO 0.02 -0.04 0.33 0.00 0.00 0.00 0.00 175.76 176.07 3ipt s MET 84 N -1.83 0.61 -0.05 0.00 0.23 -0.37 -0.62 119.30 117.28 3ipt s MET 84 Ca -0.07 -0.01 -0.04 0.00 -1.03 0.00 0.00 55.69 54.53 3ipt s MET 84 Cb -0.08 0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 33.45 3ipt s MET 84 CO -0.00 -0.15 0.15 -1.25 -2.03 0.00 0.00 175.02 171.74 3ipt s PRO 85 N -0.95 3.39 0.21 3.16 0.04 -1.26 -1.39 135.00 138.20 3ipt s PRO 85 Ca -0.10 -0.28 -0.19 0.00 0.04 0.00 0.00 61.00 60.48 3ipt s PRO 85 Cb -0.04 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.43 3ipt s PRO 85 CO 0.03 0.71 0.57 -0.59 0.04 0.00 0.00 177.00 177.76 3ipt s PHE 86 N -1.20 -0.15 -0.07 0.56 -0.71 0.42 -1.37 117.98 115.46 3ipt s PHE 86 Ca 0.22 -0.20 0.05 0.00 -1.04 0.00 0.00 56.93 55.97 3ipt s PHE 86 Cb -0.12 0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 42.15 3ipt s PHE 86 CO 0.13 -0.98 -0.24 0.50 -1.34 0.00 0.00 175.22 173.28 3ipt s ARG 87 N -3.88 2.72 -0.19 1.99 3.52 -0.61 -1.20 118.95 121.30 3ipt s ARG 87 Ca 0.09 -0.88 -0.06 0.00 -0.13 0.00 0.00 55.73 54.75 3ipt s ARG 87 Cb -0.02 -2.19 -0.03 0.00 -1.56 0.00 0.00 34.95 31.14 3ipt s ARG 87 CO -0.01 0.30 0.04 0.08 -0.81 0.00 0.00 175.30 174.89 3ipt s VAL 88 N 0.05 4.38 -0.15 7.11 1.01 -0.19 -1.89 120.40 130.73 3ipt s VAL 88 Ca -0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 3ipt s VAL 88 Cb -0.15 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 3ipt s VAL 88 CO 0.06 0.43 0.08 -1.61 0.00 0.00 0.00 175.10 174.06 3ipt s GLU 89 N 0.75 3.66 0.18 2.72 2.02 0.20 -0.92 118.70 127.31 3ipt s GLU 89 Ca 0.02 -0.28 -0.05 0.00 0.02 0.00 0.00 54.97 54.69 3ipt s GLU 89 Cb -0.14 -3.15 0.02 0.00 0.10 0.00 0.00 34.13 30.96 3ipt s GLU 89 CO 0.02 0.51 0.33 0.00 0.02 0.00 0.00 175.26 176.14 3ipt n MET 90 N 2.80 0.47 -3.91 1.61 0.00 -0.82 -1.51 117.12 115.77 3ipt n MET 90 Ca -0.18 -1.18 -0.28 0.00 0.00 0.00 0.00 57.70 56.06 3ipt n MET 90 Cb 0.53 1.33 -0.16 0.00 0.00 0.00 0.00 33.22 34.92 3ipt n MET 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3ipt s VAL 91 N -2.59 1.19 -0.40 3.17 1.01 -1.26 0.26 120.40 121.78 3ipt s VAL 91 Ca 0.10 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3ipt s VAL 91 Cb -0.02 -1.33 0.08 0.00 0.00 0.00 0.00 36.38 35.11 3ipt s VAL 91 CO 0.07 0.16 0.21 0.86 0.00 0.00 0.00 175.10 176.41 3ipt s TRP 92 N 1.60 3.36 -0.74 5.22 -0.00 0.60 -4.71 118.94 124.28 3ipt s TRP 92 Ca 0.01 -1.69 -0.00 0.00 -0.00 0.00 0.00 56.10 54.42 3ipt s TRP 92 Cb -0.15 -2.86 0.00 0.00 -0.00 0.00 0.00 33.47 30.45 3ipt s TRP 92 CO -0.08 -0.85 0.53 0.09 -0.00 0.00 0.00 176.95 176.64 3ipt n ASN 93 N 4.83 -4.24 0.00 5.86 5.03 -1.26 -1.47 115.26 124.01 3ipt n ASN 93 Ca -0.09 -0.88 0.00 0.00 0.87 0.00 0.00 54.58 54.48 3ipt n ASN 93 Cb 0.43 -1.41 0.00 0.00 -1.02 0.00 0.00 39.78 37.78 3ipt n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ipt n GLY 94 N -1.52 1.44 3.38 7.41 0.00 -1.26 -4.99 105.19 109.65 3ipt n GLY 94 Ca -0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.14 2.96 0.14 1.61 -0.21 -0.54 -5.04 119.66 118.44 3ipt s GLN 95 Ca 0.00 -0.98 -0.31 0.00 0.02 0.00 0.00 55.36 54.09 3ipt s GLN 95 Cb 0.00 -3.63 -0.09 0.00 1.00 0.00 0.00 33.01 30.28 3ipt s GLN 95 CO 0.00 -0.60 1.53 -2.14 -2.12 0.00 0.00 175.29 171.96 3ipt s PRO 96 N 1.55 4.24 0.30 2.91 0.02 -1.26 -0.29 135.00 142.46 3ipt s PRO 96 Ca 0.02 2.28 0.04 0.00 0.02 0.00 0.00 61.00 63.37 3ipt s PRO 96 Cb -0.18 -3.23 -0.01 0.00 0.02 0.00 0.00 34.50 31.09 3ipt s PRO 96 CO 0.06 -0.58 0.31 0.00 -0.33 0.00 0.00 177.00 176.46 3ipt s ALA 98 N -3.01 0.34 -0.04 0.00 0.00 -0.12 -1.94 121.76 116.99 3ipt s ALA 98 Ca 0.32 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3ipt s ALA 98 Cb 0.01 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.23 3ipt s ALA 98 CO 0.23 -0.07 -0.02 -1.17 0.00 0.00 0.00 175.76 174.73 3ipt s LEU 99 N -1.32 1.13 -0.05 0.00 2.96 -0.09 -1.14 118.68 120.15 3ipt s LEU 99 Ca -0.11 -0.09 -0.18 0.00 -0.22 0.00 0.00 54.13 53.53 3ipt s LEU 99 Cb -0.09 -0.38 -0.05 0.00 0.50 0.00 0.00 46.19 46.18 3ipt s LEU 99 CO -0.00 -0.10 0.50 -1.81 -1.32 0.00 0.00 176.35 173.62 3ipt s ASP 100 N 1.16 6.81 -0.01 3.68 1.01 -0.74 -1.02 116.67 127.57 3ipt s ASP 100 Ca -0.07 0.97 -0.01 0.00 0.71 0.00 0.00 52.55 54.14 3ipt s ASP 100 Cb -0.14 -2.31 -0.00 0.00 1.01 0.00 0.00 42.92 41.49 3ipt s ASP 100 CO -0.01 0.11 0.02 -0.69 0.21 0.00 0.00 175.17 174.81 3ipt s VAL 101 N -0.04 0.02 -0.08 -1.27 1.01 -0.34 -4.74 120.40 114.96 3ipt s VAL 101 Ca 0.27 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3ipt s VAL 101 Cb -0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 3ipt s VAL 101 CO 0.13 -0.10 -0.16 -0.63 0.00 0.00 0.00 175.10 174.34 3ipt s ILE 102 N -0.29 2.84 -0.10 2.22 1.01 -0.63 -0.43 121.20 125.82 3ipt s ILE 102 Ca -0.03 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 3ipt s ILE 102 Cb -0.02 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 3ipt s ILE 102 CO -0.00 0.56 -0.04 -1.81 0.00 0.00 0.00 174.94 173.65 3ipt s ASP 103 N -0.25 4.84 -0.13 3.58 1.11 -0.49 -0.36 116.67 124.96 3ipt s ASP 103 Ca 0.01 -0.01 0.01 0.00 0.18 0.00 0.00 52.55 52.74 3ipt s ASP 103 Cb -0.13 -1.41 -0.01 0.00 1.07 0.00 0.00 42.92 42.44 3ipt s ASP 103 CO 0.03 0.31 -0.16 -0.69 1.18 0.00 0.00 175.17 175.84 3ipt s VAL 104 N -0.51 2.67 0.02 -1.27 1.01 -0.12 -1.23 120.40 120.96 3ipt s VAL 104 Ca 0.08 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3ipt s VAL 104 Cb -0.12 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 3ipt s VAL 104 CO 0.02 0.53 -0.12 -0.04 0.00 0.00 0.00 175.10 175.49 3ipt s MET 105 N 0.54 0.86 -0.10 2.72 -1.94 -0.48 -1.01 119.30 119.88 3ipt s MET 105 Ca -0.10 -0.61 0.03 0.00 -1.71 0.00 0.00 55.69 53.30 3ipt s MET 105 Cb -0.16 -0.83 -0.01 0.00 2.01 0.00 0.00 34.83 35.84 3ipt s MET 105 CO 0.04 0.21 -0.21 0.50 -0.01 0.00 0.00 175.02 175.56 3ipt s ARG 106 N -0.84 3.05 0.20 2.03 3.52 -0.34 -1.58 118.95 124.98 3ipt s ARG 106 Ca 0.01 -0.82 -0.00 0.00 -0.13 0.00 0.00 55.73 54.79 3ipt s ARG 106 Cb -0.07 -2.38 -0.04 0.00 -1.56 0.00 0.00 34.95 30.91 3ipt s ARG 106 CO 0.01 0.24 0.38 -0.06 -0.81 0.00 0.00 175.30 175.05 3ipt s PHE 107 N 0.22 3.48 0.23 5.12 0.40 0.13 -0.05 117.98 127.51 3ipt s PHE 107 Ca -0.13 0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.53 3ipt s PHE 107 Cb -0.16 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.57 3ipt s PHE 107 CO 0.07 0.39 0.31 -0.40 0.70 0.00 0.00 175.22 176.29 3ipt n ASP 108 N -0.64 0.56 0.00 1.36 5.68 -0.58 -4.76 116.55 118.18 3ipt n ASP 108 Ca -0.05 -1.44 0.15 0.00 -0.50 0.00 0.00 54.79 52.95 3ipt n ASP 108 Cb 0.54 -0.19 0.86 0.00 -1.14 0.00 0.00 41.12 41.19 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 -1.54 0.73 -0.11 0.11 0.00 -1.26 -1.85 120.64 116.71 3ipt n GLU 109 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.33 3ipt n GLU 109 Cb 0.20 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.30 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 -1.14 0.29 -1.67 -1.84 8.25 -1.26 -1.31 115.22 116.54 3ipt n HIS 110 Ca 0.19 -0.15 -0.03 0.00 -0.26 0.00 0.00 57.72 57.48 3ipt n HIS 110 Cb 0.17 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 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 0.38 3.81 -1.41 0.00 -0.77 -4.89 105.19 103.69 3ipt n GLY 111 Ca 0.17 -0.85 -0.26 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 -3.39 2.93 -0.36 1.61 0.52 -1.26 -4.91 118.95 114.09 3ipt s ARG 112 Ca 0.00 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.08 3ipt s ARG 112 Cb 0.00 -2.67 0.01 0.00 0.52 0.00 0.00 34.95 32.81 3ipt s ARG 112 CO 0.00 0.49 1.36 0.42 0.02 0.00 0.00 175.30 177.59 3ipt s ILE 113 N -1.73 4.01 0.11 1.52 1.01 -0.04 -1.53 121.20 124.55 3ipt s ILE 113 Ca 0.31 1.08 -0.10 0.00 0.00 0.00 0.00 60.65 61.94 3ipt s ILE 113 Cb -0.10 -4.18 -0.18 0.00 0.01 0.00 0.00 42.46 38.01 3ipt s ILE 113 CO 0.24 -0.63 1.28 -0.61 0.00 0.00 0.00 174.94 175.22 3ipt h GLN 114 N 10.05 0.66 -3.11 2.79 5.75 -0.76 -0.79 115.11 129.69 3ipt h GLN 114 Ca -0.27 -0.62 -0.19 0.00 -0.15 0.00 0.00 58.65 57.42 3ipt h GLN 114 Cb 1.10 0.15 -0.28 0.00 1.07 0.00 0.00 27.48 29.52 3ipt h GLN 114 CO 1.06 1.22 -0.48 0.99 -2.65 0.00 0.00 178.83 178.97 3ipt s THR 115 N -3.52 -0.03 0.03 2.39 2.01 -1.03 -1.66 115.64 113.84 3ipt s THR 115 Ca -0.09 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.08 3ipt s THR 115 Cb 0.08 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.23 3ipt s THR 115 CO 0.90 0.04 -0.21 -0.32 -0.69 0.00 0.00 174.62 174.34 3ipt s MET 116 N 0.81 1.43 -0.14 4.92 1.75 -0.37 -1.19 119.30 126.50 3ipt s MET 116 Ca -0.06 -0.90 -0.01 0.00 -1.25 0.00 0.00 55.69 53.47 3ipt s MET 116 Cb -0.07 -1.51 0.04 0.00 2.84 0.00 0.00 34.83 36.13 3ipt s MET 116 CO -0.05 0.39 -0.04 -0.65 -0.65 0.00 0.00 175.02 174.02 3ipt s GLN 117 N -1.06 1.26 -0.30 4.11 -0.21 -0.18 -0.87 119.66 122.40 3ipt s GLN 117 Ca 0.07 -0.34 -0.13 0.00 0.02 0.00 0.00 55.36 54.98 3ipt s GLN 117 Cb -0.09 -1.75 -0.03 0.00 1.00 0.00 0.00 33.01 32.14 3ipt s GLN 117 CO 0.01 -0.39 0.26 0.00 -2.12 0.00 0.00 175.29 173.05 3ipt s ALA 118 N 1.73 3.52 -0.28 6.09 0.00 -0.10 -0.95 121.76 131.77 3ipt s ALA 118 Ca 0.02 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 3ipt s ALA 118 Cb -0.14 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 3ipt s ALA 118 CO -0.07 -0.76 0.32 0.71 0.00 0.00 0.00 175.76 175.96 3ipt s TYR 119 N 1.84 3.24 -0.22 0.00 1.51 0.51 0.03 117.35 124.26 3ipt s TYR 119 Ca 0.09 0.29 -0.31 0.00 -1.01 0.00 0.00 57.07 56.13 3ipt s TYR 119 Cb -0.16 -2.52 0.16 0.00 -0.11 0.00 0.00 41.96 39.32 3ipt s TYR 119 CO 0.11 -0.22 1.20 1.67 -1.11 0.00 0.00 175.55 177.20 3ipt s TRP 120 N 1.97 -0.16 0.00 2.71 1.48 -1.26 -1.60 118.94 122.08 3ipt s TRP 120 Ca 0.12 0.24 0.00 0.00 -1.06 0.00 0.00 56.10 55.40 3ipt s TRP 120 Cb -0.16 0.49 0.00 0.00 -1.16 0.00 0.00 33.47 32.64 3ipt s TRP 120 CO 0.10 -0.18 0.00 -1.13 -4.06 0.00 0.00 176.95 171.69 3ipt n SER 121 N 0.41 0.00 0.24 -2.66 3.41 -1.26 -4.68 113.62 109.08 3ipt n SER 121 Ca -0.03 -0.53 0.13 0.00 -0.26 0.00 0.00 58.87 58.18 3ipt n SER 121 Cb 0.58 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.08 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 -0.07 4.33 3.07 -2.00 0.31 114.58 120.21 3ipt h GLU 122 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 3ipt h GLU 122 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3ipt h GLU 122 CO 0.00 0.14 0.13 -0.39 -1.40 0.00 0.00 179.01 177.49 3ipt h VAL 123 N 0.00 0.29 -0.63 3.13 -1.51 -2.00 -1.10 116.25 114.43 3ipt h VAL 123 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3ipt h VAL 123 Cb 0.65 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 3ipt h VAL 123 CO 0.02 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.95 3ipt n ASN 124 N -3.50 3.43 -4.83 4.19 4.13 0.11 -4.90 115.26 113.89 3ipt n ASN 124 Ca -0.01 -2.00 -0.36 0.00 1.68 0.00 0.00 54.58 53.89 3ipt n ASN 124 Cb 0.22 -0.42 -0.07 0.00 -1.54 0.00 0.00 39.78 37.97 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 -1.03 4.25 -0.00 3.41 0.20 -0.42 -1.80 118.68 123.30 3ipt s LEU 125 Ca 0.43 0.40 0.00 0.00 0.69 0.00 0.00 54.13 55.65 3ipt s LEU 125 Cb 0.22 -2.04 -0.00 0.00 -0.43 0.00 0.00 46.19 43.95 3ipt s LEU 125 CO 0.29 0.38 -0.01 -0.44 -0.29 0.00 0.00 176.35 176.29 3ipt s SER 126 N -0.85 0.06 0.00 3.68 0.01 -0.30 -5.00 113.70 111.31 3ipt s SER 126 Ca 0.14 -0.01 0.26 0.00 1.31 0.00 0.00 55.95 57.65 3ipt s SER 126 Cb -0.12 -0.01 1.55 0.00 0.21 0.00 0.00 66.02 67.65 3ipt s SER 126 CO 0.03 0.01 1.90 0.55 0.41 0.00 0.00 173.24 176.14