#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 3.80 0.22 3.41 2.96 -1.24 -3.94 118.68 123.89 3ipt s LEU 3 Ca 0.00 1.59 -0.32 0.00 -0.22 0.00 0.00 54.13 55.18 3ipt s LEU 3 Cb 0.00 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 43.03 3ipt s LEU 3 CO 0.00 -1.39 1.48 -2.65 -1.32 0.00 0.00 176.35 172.47 3ipt n PRO 4 N 7.89 2.15 -0.78 0.98 -0.02 -1.26 -4.91 135.00 139.04 3ipt n PRO 4 Ca 0.20 0.77 -0.28 0.00 -2.02 0.00 0.00 63.50 62.17 3ipt n PRO 4 Cb 0.45 -2.47 0.23 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.21 2.03 0.17 3.45 -4.23 -1.26 -4.23 115.64 111.78 3ipt s THR 5 Ca 0.70 0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 61.09 3ipt s THR 5 Cb -0.64 -2.23 0.06 0.00 1.34 0.00 0.00 72.50 71.03 3ipt s THR 5 CO 0.46 -0.01 1.78 0.00 -0.54 0.00 0.00 174.62 176.31 3ipt h ALA 6 N -2.37 0.59 -0.85 3.99 0.00 -1.93 0.19 119.26 118.88 3ipt h ALA 6 Ca -0.59 0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.47 3ipt h ALA 6 Cb 1.33 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 3ipt h ALA 6 CO 0.53 -0.14 0.47 1.96 0.00 0.00 0.00 179.25 182.07 3ipt h GLN 7 N 0.44 0.70 -0.38 0.00 4.20 -1.92 -2.09 115.11 116.06 3ipt h GLN 7 Ca 0.21 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 3ipt h GLN 7 Cb 0.14 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3ipt h GLN 7 CO -0.16 0.46 -0.02 0.93 -0.67 0.00 0.00 178.83 179.37 3ipt h GLU 8 N 0.72 0.70 -0.93 1.46 5.08 -1.35 -2.49 114.58 117.77 3ipt h GLU 8 Ca 0.44 -0.23 0.13 0.00 -1.00 0.00 0.00 59.36 58.70 3ipt h GLU 8 Cb 0.52 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.63 3ipt h GLU 8 CO -0.31 0.81 0.55 0.28 -1.00 0.00 0.00 179.01 179.34 3ipt h VAL 9 N 0.51 0.84 -0.44 3.13 2.07 -0.52 -0.47 116.25 121.36 3ipt h VAL 9 Ca 0.11 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 3ipt h VAL 9 Cb 0.51 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3ipt h VAL 9 CO 0.02 0.15 -0.10 1.56 0.02 0.00 0.00 177.57 179.23 3ipt h GLN 10 N 0.83 0.78 0.09 1.57 4.20 -0.96 -0.95 115.11 120.67 3ipt h GLN 10 Ca 0.48 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 3ipt h GLN 10 Cb 0.57 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3ipt h GLN 10 CO -0.30 0.85 -0.04 0.78 -0.67 0.00 0.00 178.83 179.44 3ipt h GLY 11 N 0.97 -0.13 1.01 3.46 0.00 -0.98 -1.46 103.07 105.94 3ipt h GLY 11 Ca 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3ipt h GLY 11 CO 0.04 -0.05 0.41 1.41 0.00 0.00 0.00 176.54 178.34 3ipt h LEU 12 N -0.37 0.91 -0.57 3.11 3.38 -0.92 -1.01 115.31 119.83 3ipt h LEU 12 Ca -0.01 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3ipt h LEU 12 Cb 0.31 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3ipt h LEU 12 CO 0.02 0.74 -0.02 0.24 0.09 0.00 0.00 178.44 179.51 3ipt h MET 13 N 1.01 1.03 -0.01 1.13 2.86 -1.06 -1.09 114.93 118.80 3ipt h MET 13 Ca 0.26 -0.34 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 3ipt h MET 13 Cb 0.03 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3ipt h MET 13 CO -0.04 1.03 -0.55 0.00 1.06 0.00 0.00 176.91 178.41 3ipt h ALA 14 N 0.96 1.08 -0.28 6.32 0.00 -0.97 -2.28 119.26 124.09 3ipt h ALA 14 Ca 0.16 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 3ipt h ALA 14 Cb 0.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ipt h ALA 14 CO 0.03 0.69 -0.46 -0.09 0.00 0.00 0.00 179.25 179.42 3ipt h ARG 15 N 0.01 0.74 -0.32 0.00 2.43 -0.58 -1.93 114.38 114.73 3ipt h ARG 15 Ca -0.00 -0.42 0.02 0.00 -0.81 0.00 0.00 59.98 58.77 3ipt h ARG 15 Cb 0.98 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3ipt h ARG 15 CO 0.07 1.04 0.22 0.66 -1.51 0.00 0.00 179.97 180.45 3ipt h SER 16 N 0.59 0.32 0.25 -3.80 4.64 -0.63 -0.96 113.55 113.96 3ipt h SER 16 Ca 0.03 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.12 3ipt h SER 16 Cb 1.02 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3ipt h SER 16 CO 0.10 0.22 -0.94 0.40 -0.87 0.00 0.00 176.83 175.74 3ipt h ILE 17 N 0.37 1.37 -0.47 0.95 1.08 -1.32 -1.67 117.51 117.82 3ipt h ILE 17 Ca 0.13 -2.37 0.04 0.00 -0.39 0.00 0.00 64.86 62.26 3ipt h ILE 17 Cb 0.05 2.38 -0.04 0.00 -3.07 0.00 0.00 36.82 36.14 3ipt h ILE 17 CO -0.03 0.72 0.24 -0.33 -0.69 0.00 0.00 178.15 178.06 3ipt h GLU 18 N 0.28 0.47 -0.49 2.37 4.39 -0.54 0.19 114.58 121.25 3ipt h GLU 18 Ca -0.09 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 3ipt h GLU 18 Cb 1.58 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 30.11 3ipt h GLU 18 CO 0.17 0.31 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.21 3ipt h LEU 19 N 0.48 0.88 -0.62 1.33 3.38 -1.11 -1.29 115.31 118.37 3ipt h LEU 19 Ca 0.20 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3ipt h LEU 19 Cb 0.10 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3ipt h LEU 19 CO -0.14 1.00 0.39 0.58 0.09 0.00 0.00 178.44 180.37 3ipt h VAL 20 N 0.74 1.17 -0.65 1.22 2.07 -1.08 0.15 116.25 119.88 3ipt h VAL 20 Ca 0.13 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3ipt h VAL 20 Cb 0.58 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3ipt h VAL 20 CO 0.03 0.17 0.41 -0.78 0.02 0.00 0.00 177.57 177.43 3ipt h ASP 21 N 0.84 0.68 1.58 0.57 3.58 -0.56 -2.26 116.42 120.84 3ipt h ASP 21 Ca 0.22 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3ipt h ASP 21 Cb -0.05 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.84 3ipt h ASP 21 CO -0.04 0.48 -0.11 -0.37 -2.88 0.00 0.00 179.24 176.31 3ipt h VAL 22 N 0.81 0.00 0.00 2.25 -1.51 -1.08 -3.43 116.25 113.29 3ipt h VAL 22 Ca 0.25 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 3ipt h VAL 22 Cb -0.01 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 3ipt h VAL 22 CO -0.09 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.86 3ipt n GLY 23 N 1.23 0.77 3.54 5.19 0.00 -0.00 -4.97 105.19 110.95 3ipt n GLY 23 Ca 0.05 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.65 6.59 0.12 1.61 -1.08 -0.95 -4.89 116.67 115.42 3ipt s ASP 24 Ca 0.00 -1.74 -0.20 0.00 -0.52 0.00 0.00 52.55 50.09 3ipt s ASP 24 Cb 0.00 -2.54 -0.06 0.00 -1.46 0.00 0.00 42.92 38.86 3ipt s ASP 24 CO 0.00 -1.36 1.74 0.40 0.52 0.00 0.00 175.17 176.46 3ipt h ILE 25 N 6.40 0.93 -0.90 4.11 2.04 -1.93 -1.54 117.51 126.62 3ipt h ILE 25 Ca 0.23 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 66.12 3ipt h ILE 25 Cb 0.99 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 3ipt h ILE 25 CO 1.37 0.02 0.59 -0.33 0.00 0.00 0.00 178.15 179.80 3ipt h GLU 26 N 0.09 1.02 -0.22 2.37 5.08 -1.98 -0.83 114.58 120.10 3ipt h GLU 26 Ca 0.07 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 3ipt h GLU 26 Cb 0.07 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3ipt h GLU 26 CO -0.10 0.67 -0.39 0.00 -1.00 0.00 0.00 179.01 178.19 3ipt h ALA 27 N 1.50 0.35 -0.10 3.43 0.00 -1.79 -1.97 119.26 120.68 3ipt h ALA 27 Ca 0.38 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3ipt h ALA 27 Cb 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3ipt h ALA 27 CO -0.14 0.44 -0.22 0.82 0.00 0.00 0.00 179.25 180.16 3ipt h ILE 28 N 0.36 0.47 -0.88 0.00 2.04 -0.99 -3.00 117.51 115.51 3ipt h ILE 28 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.88 3ipt h ILE 28 Cb 0.99 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 3ipt h ILE 28 CO 0.09 0.00 0.57 0.58 0.00 0.00 0.00 178.15 179.39 3ipt h VAL 29 N -0.29 1.23 0.00 1.67 2.07 -1.02 -0.84 116.25 119.07 3ipt h VAL 29 Ca 0.09 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3ipt h VAL 29 Cb 0.42 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3ipt h VAL 29 CO -0.27 0.22 0.00 -0.61 0.02 0.00 0.00 177.57 176.94 3ipt h GLN 30 N 1.19 0.00 0.00 1.57 5.75 -1.21 -1.15 115.11 121.26 3ipt h GLN 30 Ca 0.32 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.82 3ipt h GLN 30 Cb -0.12 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.43 3ipt h GLN 30 CO -0.07 0.00 0.00 -1.33 -2.65 0.00 0.00 178.83 174.78 3ipt n MET 31 N -3.06 0.19 -3.60 1.69 2.81 -0.32 -4.76 117.12 110.07 3ipt n MET 31 Ca -0.02 0.31 -0.37 0.00 -1.81 0.00 0.00 57.70 55.81 3ipt n MET 31 Cb 0.15 -1.79 -0.06 0.00 -0.71 0.00 0.00 33.22 30.80 3ipt n MET 31 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3ipt s TYR 32 N -3.20 3.68 0.87 2.03 2.02 -0.44 -0.25 117.35 122.06 3ipt s TYR 32 Ca 0.07 0.86 -0.16 0.00 -0.37 0.00 0.00 57.07 57.47 3ipt s TYR 32 Cb 0.11 -2.19 -0.07 0.00 -0.40 0.00 0.00 41.96 39.41 3ipt s TYR 32 CO 0.46 0.65 -0.09 0.00 -1.57 0.00 0.00 175.55 174.99 3ipt n ALA 33 N 1.72 -3.54 0.19 3.71 0.00 0.06 -4.71 120.51 117.95 3ipt n ALA 33 Ca -0.14 -0.50 0.07 0.00 0.00 0.00 0.00 53.44 52.87 3ipt n ALA 33 Cb 0.53 -1.51 0.31 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.92 0.00 -0.22 0.00 2.03 -1.94 -3.12 116.42 112.25 3ipt h ASP 34 Ca -0.44 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.85 3ipt h ASP 34 Cb 1.32 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.81 3ipt h ASP 34 CO 0.33 0.32 -0.01 -0.90 -1.03 0.00 0.00 179.24 177.95 3ipt n ASP 35 N -3.37 3.49 -4.24 4.15 5.75 -1.26 -1.90 116.55 119.17 3ipt n ASP 35 Ca 0.01 -3.10 -0.38 0.00 -0.01 0.00 0.00 54.79 51.31 3ipt n ASP 35 Cb 0.53 -0.53 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 3ipt n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ipt n ALA 36 N -0.73 -3.25 -2.47 2.12 0.00 -1.18 -4.27 120.51 110.73 3ipt n ALA 36 Ca 0.21 -0.24 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 3ipt n ALA 36 Cb 0.86 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 3ipt n ALA 36 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ipt s THR 37 N -1.97 2.88 -0.06 0.00 -4.23 -0.64 -1.04 115.64 110.57 3ipt s THR 37 Ca 0.55 -1.10 0.03 0.00 -1.18 0.00 0.00 61.69 59.99 3ipt s THR 37 Cb -0.39 -2.20 0.01 0.00 1.34 0.00 0.00 72.50 71.25 3ipt s THR 37 CO 0.68 0.37 -0.16 -0.69 -0.54 0.00 0.00 174.62 174.29 3ipt s VAL 38 N -0.90 1.38 -0.26 2.29 1.01 -0.27 -1.58 120.40 122.06 3ipt s VAL 38 Ca 0.14 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3ipt s VAL 38 Cb -0.11 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 35.11 3ipt s VAL 38 CO 0.05 0.41 -0.11 -1.61 0.00 0.00 0.00 175.10 173.84 3ipt s GLU 39 N 0.40 2.25 -0.27 2.72 2.02 -0.35 -0.65 118.70 124.82 3ipt s GLU 39 Ca -0.12 -1.35 -0.02 0.00 0.02 0.00 0.00 54.97 53.51 3ipt s GLU 39 Cb -0.15 -2.90 0.12 0.00 0.10 0.00 0.00 34.13 31.31 3ipt s GLU 39 CO 0.04 -0.57 0.26 1.21 0.02 0.00 0.00 175.26 176.22 3ipt s ASN 40 N 1.11 1.80 0.47 -0.19 3.84 -1.26 -0.80 114.94 119.90 3ipt s ASN 40 Ca -0.09 -0.70 -0.22 0.00 0.21 0.00 0.00 52.86 52.06 3ipt s ASN 40 Cb -0.20 0.40 -0.07 0.00 -0.55 0.00 0.00 41.25 40.83 3ipt s ASN 40 CO -0.05 -0.38 1.13 -2.16 -2.79 0.00 0.00 177.10 172.85 3ipt s PRO 41 N 2.33 3.75 -0.11 0.43 0.04 -1.26 -4.94 135.00 135.23 3ipt s PRO 41 Ca 0.09 1.67 -0.42 0.00 0.04 0.00 0.00 61.00 62.38 3ipt s PRO 41 Cb -0.14 -2.32 -0.20 0.00 0.04 0.00 0.00 34.50 31.87 3ipt s PRO 41 CO -0.29 -0.54 1.19 0.34 0.04 0.00 0.00 177.00 177.74 3ipt n PHE 42 N -0.62 0.89 0.00 0.56 7.35 0.35 -1.66 117.46 124.32 3ipt n PHE 42 Ca 0.08 1.08 0.00 0.00 -0.76 0.00 0.00 57.45 57.85 3ipt n PHE 42 Cb 0.49 -2.12 0.00 0.00 0.35 0.00 0.00 39.48 38.20 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 2.06 1.41 3.90 7.13 0.00 -1.26 -4.88 105.19 113.56 3ipt n GLY 43 Ca 0.22 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 0.30 1.61 2.00 -0.66 -5.01 119.66 120.96 3ipt s GLN 44 Ca 0.00 0.23 -0.29 0.00 -2.00 0.00 0.00 55.36 53.30 3ipt s GLN 44 Cb 0.00 -2.20 -0.13 0.00 0.80 0.00 0.00 33.01 31.49 3ipt s GLN 44 CO 0.00 -0.71 1.31 -2.30 -0.50 0.00 0.00 175.29 173.09 3ipt n PRO 45 N -2.67 2.02 -2.04 1.67 -0.02 -1.26 -4.75 135.00 127.95 3ipt n PRO 45 Ca 0.05 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 61.95 3ipt n PRO 45 Cb 0.57 -2.30 0.04 0.00 -0.02 0.00 0.00 33.50 31.79 3ipt n PRO 45 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3ipt s PRO 46 N -1.30 2.82 0.07 0.52 0.02 -1.26 -4.72 135.00 131.15 3ipt s PRO 46 Ca 0.60 0.29 0.05 0.00 0.02 0.00 0.00 61.00 61.96 3ipt s PRO 46 Cb -0.61 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.78 3ipt s PRO 46 CO 0.57 -0.97 -0.02 0.96 -0.33 0.00 0.00 177.00 177.21 3ipt s ILE 47 N -3.26 3.89 -0.01 2.83 -4.36 0.18 -4.96 121.20 115.52 3ipt s ILE 47 Ca 0.57 -0.95 0.07 0.00 -0.26 0.00 0.00 60.65 60.08 3ipt s ILE 47 Cb -0.11 -2.81 -0.02 0.00 1.25 0.00 0.00 42.46 40.77 3ipt s ILE 47 CO 0.49 0.19 -0.23 -1.00 0.24 0.00 0.00 174.94 174.63 3ipt s HIS 48 N -1.23 2.05 0.00 1.37 3.76 -1.26 -1.12 115.29 118.86 3ipt s HIS 48 Ca 0.23 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 3ipt s HIS 48 Cb -0.11 -1.30 0.00 0.00 1.11 0.00 0.00 32.58 32.27 3ipt s HIS 48 CO 0.15 -0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.44 3ipt n GLY 49 N 2.40 -0.00 0.35 -2.22 0.00 -0.20 -4.20 105.19 101.32 3ipt n GLY 49 Ca -0.16 -1.59 0.13 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 0.29 -0.18 1.61 3.08 -1.60 -1.81 114.38 115.76 3ipt h ARG 50 Ca 0.00 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3ipt h ARG 50 Cb 0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3ipt h ARG 50 CO 0.00 0.19 -0.10 1.49 -1.07 0.00 0.00 179.97 180.48 3ipt h GLU 51 N 0.29 0.39 -0.04 0.04 4.22 -1.86 0.34 114.58 117.96 3ipt h GLU 51 Ca 0.25 -0.17 -0.07 0.00 0.08 0.00 0.00 59.36 59.45 3ipt h GLU 51 Cb 0.58 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3ipt h GLU 51 CO -0.05 0.70 -0.28 1.96 -2.18 0.00 0.00 179.01 179.15 3ipt h GLN 52 N 0.07 0.07 -0.06 1.92 4.20 -1.68 -1.01 115.11 118.63 3ipt h GLN 52 Ca 0.04 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.50 3ipt h GLN 52 Cb 0.59 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.37 3ipt h GLN 52 CO 0.03 0.35 -0.86 0.82 -0.67 0.00 0.00 178.83 178.50 3ipt h ILE 53 N 0.07 1.30 -0.82 2.54 2.04 -1.11 -1.18 117.51 120.35 3ipt h ILE 53 Ca 0.01 -2.10 -0.02 0.00 1.00 0.00 0.00 64.86 63.75 3ipt h ILE 53 Cb 0.53 2.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 3ipt h ILE 53 CO 0.04 0.65 0.41 0.00 0.00 0.00 0.00 178.15 179.25 3ipt h ALA 54 N 0.45 1.19 -0.59 1.87 0.00 0.12 -1.41 119.26 120.89 3ipt h ALA 54 Ca -0.09 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3ipt h ALA 54 Cb 1.51 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3ipt h ALA 54 CO 0.17 0.63 -0.01 0.00 0.00 0.00 0.00 179.25 180.04 3ipt h ALA 55 N 1.30 0.87 -0.14 0.00 0.00 -0.89 -0.96 119.26 119.43 3ipt h ALA 55 Ca 0.28 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ipt h ALA 55 Cb 0.08 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 3ipt h ALA 55 CO -0.04 0.66 -0.47 0.35 0.00 0.00 0.00 179.25 179.75 3ipt h PHE 56 N 0.95 -1.38 0.00 0.00 3.57 -0.89 -1.68 116.94 117.51 3ipt h PHE 56 Ca 0.17 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 3ipt h PHE 56 Cb 0.56 0.62 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 3ipt h PHE 56 CO 0.04 -0.51 -0.25 1.88 -2.23 0.00 0.00 178.31 177.24 3ipt h TYR 57 N -0.53 0.00 -0.25 0.41 0.05 -1.07 0.13 116.97 115.71 3ipt h TYR 57 Ca 0.06 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.66 3ipt h TYR 57 Cb 0.65 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.40 3ipt h TYR 57 CO -0.53 0.25 -0.56 0.00 -1.05 0.00 0.00 178.16 176.27 3ipt h ARG 58 N 0.00 0.81 -0.11 4.88 3.08 -0.98 0.24 114.38 122.30 3ipt h ARG 58 Ca -0.00 -0.54 -0.19 0.00 0.07 0.00 0.00 59.98 59.32 3ipt h ARG 58 Cb 0.57 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 3ipt h ARG 58 CO 0.03 1.17 -0.71 0.37 -1.07 0.00 0.00 179.97 179.77 3ipt h GLN 59 N 0.57 0.49 0.10 0.04 5.75 -1.06 -3.28 115.11 117.72 3ipt h GLN 59 Ca -0.00 -0.39 -0.26 0.00 -0.15 0.00 0.00 58.65 57.85 3ipt h GLN 59 Cb 1.17 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.79 3ipt h GLN 59 CO 0.12 1.01 -1.21 0.78 -2.65 0.00 0.00 178.83 176.89 3ipt h GLY 60 N 1.12 0.24 -5.92 2.39 0.00 -0.55 -3.51 103.07 96.84 3ipt h GLY 60 Ca -0.03 -0.60 -0.63 0.00 0.00 0.00 0.00 47.33 46.07 3ipt h GLY 60 CO 0.13 0.53 -0.61 1.08 0.00 0.00 0.00 176.54 177.66 3ipt s LEU 61 N -7.03 3.55 -0.08 3.11 1.43 0.84 -4.98 118.68 115.52 3ipt s LEU 61 Ca -0.03 -0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 3ipt s LEU 61 Cb 0.08 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3ipt s LEU 61 CO 0.87 0.19 1.59 -0.75 0.23 0.00 0.00 176.35 178.47 3ipt s LYS 65 N 0.24 4.18 -0.02 1.70 2.20 -1.26 -5.01 119.74 121.77 3ipt s LYS 65 Ca 0.01 2.08 -0.00 0.00 -0.36 0.00 0.00 55.97 57.70 3ipt s LYS 65 Cb -0.13 -3.95 0.03 0.00 -1.51 0.00 0.00 37.83 32.27 3ipt s LYS 65 CO 0.02 -0.84 0.03 0.08 -0.36 0.00 0.00 175.35 174.28 3ipt s VAL 66 N 3.98 -0.06 0.17 4.02 1.01 -1.26 -4.21 120.40 124.06 3ipt s VAL 66 Ca 0.70 0.21 0.11 0.00 0.00 0.00 0.00 61.98 63.00 3ipt s VAL 66 Cb -0.31 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 3ipt s VAL 66 CO 0.27 0.09 -0.22 -0.13 0.00 0.00 0.00 175.10 175.10 3ipt s ARG 67 N 1.03 1.58 -0.11 2.72 0.52 -0.48 -4.81 118.95 119.41 3ipt s ARG 67 Ca -0.09 -1.43 -0.09 0.00 -0.52 0.00 0.00 55.73 53.61 3ipt s ARG 67 Cb -0.12 -1.92 0.03 0.00 0.52 0.00 0.00 34.95 33.46 3ipt s ARG 67 CO -0.03 0.42 0.28 0.00 0.02 0.00 0.00 175.30 175.99 3ipt s ALA 68 N -1.50 -0.68 -0.19 2.13 0.00 -1.26 -0.40 121.76 119.86 3ipt s ALA 68 Ca 0.20 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 52.84 3ipt s ALA 68 Cb -0.09 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.60 3ipt s ALA 68 CO 0.10 -0.14 0.48 0.00 0.00 0.00 0.00 175.76 176.19 3ipt n LEU 70 N 3.39 1.78 -0.38 0.00 4.77 -1.26 -1.53 117.00 123.76 3ipt n LEU 70 Ca -0.17 1.17 0.03 0.00 -0.03 0.00 0.00 56.01 57.01 3ipt n LEU 70 Cb 0.56 -1.28 0.09 0.00 -2.33 0.00 0.00 43.42 40.47 3ipt n LEU 70 CO 0.09 -1.33 0.58 0.35 -1.33 0.00 0.00 177.39 175.74 3ipt n THR 71 N 0.64 0.99 -3.77 -5.08 -2.24 0.49 -4.85 114.28 100.46 3ipt n THR 71 Ca 0.11 -1.00 0.04 0.00 -2.27 0.00 0.00 64.05 60.94 3ipt n THR 71 Cb 0.30 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.00 -0.37 0.79 3.38 0.00 -1.25 -4.98 107.32 103.89 3ipt s GLY 72 Ca 0.14 0.59 -0.12 0.00 0.00 0.00 0.00 44.72 45.33 3ipt s GLY 72 CO 0.09 3.16 1.12 2.56 0.00 0.00 0.00 173.10 180.04 3ipt s PRO 73 N -2.03 2.02 0.10 2.90 0.04 -1.26 -4.58 135.00 132.19 3ipt s PRO 73 Ca 0.23 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 3ipt s PRO 73 Cb 0.04 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 3ipt s PRO 73 CO -0.05 -1.85 1.16 0.08 0.04 0.00 0.00 177.00 176.38 3ipt s VAL 74 N -2.66 3.99 -0.33 -0.36 1.01 -1.26 -4.51 120.40 116.28 3ipt s VAL 74 Ca 0.65 1.52 -0.16 0.00 0.00 0.00 0.00 61.98 63.99 3ipt s VAL 74 Cb -0.20 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3ipt s VAL 74 CO 0.53 0.17 0.40 -0.13 0.00 0.00 0.00 175.10 176.07 3ipt s ARG 75 N 0.54 3.69 0.19 2.72 3.00 0.16 -4.95 118.95 124.29 3ipt s ARG 75 Ca 0.55 -0.25 0.06 0.00 0.00 0.00 0.00 55.73 56.09 3ipt s ARG 75 Cb -0.29 -3.77 -0.04 0.00 0.00 0.00 0.00 34.95 30.85 3ipt s ARG 75 CO 0.31 -0.49 0.13 0.00 0.00 0.00 0.00 175.30 175.26 3ipt s ALA 76 N 2.11 3.52 0.14 2.13 0.00 -1.26 -0.87 121.76 127.52 3ipt s ALA 76 Ca 0.14 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.81 3ipt s ALA 76 Cb -0.16 -1.29 0.01 0.00 0.00 0.00 0.00 23.12 21.68 3ipt s ALA 76 CO 0.12 0.43 0.07 -1.13 0.00 0.00 0.00 175.76 175.25 3ipt n SER 77 N -0.54 1.69 -1.09 0.00 3.41 -0.38 -4.98 113.62 111.74 3ipt n SER 77 Ca -0.08 -1.50 0.08 0.00 -0.26 0.00 0.00 58.87 57.10 3ipt n SER 77 Cb 0.56 0.02 0.26 0.00 -0.26 0.00 0.00 64.21 64.79 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 -0.69 1.00 -2.03 7.33 8.25 -1.26 -4.01 115.22 123.81 3ipt n HIS 78 Ca -0.02 -0.65 -0.07 0.00 -0.26 0.00 0.00 57.72 56.72 3ipt n HIS 78 Cb 0.16 -0.20 0.09 0.00 1.12 0.00 0.00 29.99 31.17 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 0.46 2.89 0.00 0.41 2.04 -1.26 -4.94 115.26 114.85 3ipt n ASN 79 Ca 0.20 -3.39 0.00 0.00 -0.44 0.00 0.00 54.58 50.95 3ipt n ASN 79 Cb 0.74 -0.42 0.00 0.00 -2.53 0.00 0.00 39.78 37.57 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 -0.70 0.51 3.44 4.83 0.00 -1.26 -4.89 105.19 107.12 3ipt n GLY 80 Ca 0.26 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.46 -0.11 0.03 0.00 0.00 -0.12 -1.25 107.32 102.41 3ipt s GLY 82 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.83 3ipt s GLY 82 CO 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 173.10 173.23 3ipt s ALA 83 N -3.47 0.22 -0.18 3.20 0.00 -0.05 -0.80 121.76 120.69 3ipt s ALA 83 Ca 0.12 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 3ipt s ALA 83 Cb -0.04 0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.28 3ipt s ALA 83 CO 0.05 -0.17 0.49 0.00 0.00 0.00 0.00 175.76 176.13 3ipt s MET 84 N -1.78 0.58 -0.04 0.00 0.23 -0.30 0.36 119.30 118.34 3ipt s MET 84 Ca -0.12 0.65 -0.06 0.00 -1.03 0.00 0.00 55.69 55.12 3ipt s MET 84 Cb -0.08 0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 33.46 3ipt s MET 84 CO -0.02 -0.07 0.21 -1.25 -2.03 0.00 0.00 175.02 171.86 3ipt s PRO 85 N 0.21 3.52 0.30 3.16 0.04 -1.26 -1.34 135.00 139.63 3ipt s PRO 85 Ca -0.00 -0.11 -0.19 0.00 0.04 0.00 0.00 61.00 60.73 3ipt s PRO 85 Cb -0.03 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.42 3ipt s PRO 85 CO 0.01 0.71 0.81 -0.59 0.04 0.00 0.00 177.00 177.98 3ipt s PHE 86 N -1.19 -0.01 -0.03 0.56 -0.71 0.24 -0.38 117.98 116.46 3ipt s PHE 86 Ca 0.22 -0.53 0.01 0.00 -1.04 0.00 0.00 56.93 55.60 3ipt s PHE 86 Cb -0.13 0.76 0.01 0.00 -1.21 0.00 0.00 43.02 42.45 3ipt s PHE 86 CO 0.12 -1.31 -0.05 0.50 -1.34 0.00 0.00 175.22 173.13 3ipt s ARG 87 N -2.91 0.70 -0.20 1.99 3.52 -0.58 -1.16 118.95 120.30 3ipt s ARG 87 Ca 0.14 -0.16 -0.06 0.00 -0.13 0.00 0.00 55.73 55.53 3ipt s ARG 87 Cb -0.05 -0.70 -0.03 0.00 -1.56 0.00 0.00 34.95 32.61 3ipt s ARG 87 CO 0.08 0.01 0.03 0.08 -0.81 0.00 0.00 175.30 174.70 3ipt s VAL 88 N 0.47 4.31 -0.09 7.11 1.01 0.74 -1.91 120.40 132.04 3ipt s VAL 88 Ca -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 3ipt s VAL 88 Cb -0.10 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 3ipt s VAL 88 CO 0.00 0.42 -0.04 -1.61 0.00 0.00 0.00 175.10 173.87 3ipt s GLU 89 N 0.87 3.00 0.30 2.72 2.02 0.47 -0.16 118.70 127.92 3ipt s GLU 89 Ca 0.02 -0.49 -0.10 0.00 0.02 0.00 0.00 54.97 54.42 3ipt s GLU 89 Cb -0.14 -2.72 0.04 0.00 0.10 0.00 0.00 34.13 31.41 3ipt s GLU 89 CO 0.02 0.60 0.57 0.00 0.02 0.00 0.00 175.26 176.48 3ipt n MET 90 N 2.44 0.82 -4.10 1.61 0.00 -0.59 -1.38 117.12 115.92 3ipt n MET 90 Ca -0.18 -1.75 -0.32 0.00 0.00 0.00 0.00 57.70 55.45 3ipt n MET 90 Cb 0.53 2.11 -0.16 0.00 0.00 0.00 0.00 33.22 35.70 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 -2.37 2.00 -0.36 3.17 1.01 -1.26 0.13 120.40 122.73 3ipt s VAL 91 Ca 0.13 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 3ipt s VAL 91 Cb -0.03 -1.87 0.07 0.00 0.00 0.00 0.00 36.38 34.55 3ipt s VAL 91 CO 0.10 0.44 0.12 0.86 0.00 0.00 0.00 175.10 176.62 3ipt s TRP 92 N 1.29 3.37 -0.78 5.22 -0.00 0.22 -4.69 118.94 123.57 3ipt s TRP 92 Ca 0.03 -1.90 -0.13 0.00 -0.00 0.00 0.00 56.10 54.10 3ipt s TRP 92 Cb -0.14 -2.59 0.02 0.00 -0.00 0.00 0.00 33.47 30.76 3ipt s TRP 92 CO -0.12 -0.84 0.49 0.09 -0.00 0.00 0.00 176.95 176.57 3ipt n ASN 93 N 4.69 -3.46 0.00 5.86 5.03 -1.26 -1.47 115.26 124.65 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 -1.23 0.00 0.00 -1.02 0.00 0.00 39.78 37.96 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 -1.60 2.51 3.39 7.41 0.00 -1.26 -5.01 105.19 110.62 3ipt n GLY 94 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.00 3.04 0.21 1.61 -0.21 -0.54 -5.06 119.66 118.70 3ipt s GLN 95 Ca 0.00 -0.92 -0.30 0.00 0.02 0.00 0.00 55.36 54.16 3ipt s GLN 95 Cb 0.00 -3.59 -0.09 0.00 1.00 0.00 0.00 33.01 30.32 3ipt s GLN 95 CO 0.00 -0.55 1.41 -2.14 -2.12 0.00 0.00 175.29 171.89 3ipt s PRO 96 N 1.56 4.30 0.31 2.91 0.02 -1.26 -0.61 135.00 142.23 3ipt s PRO 96 Ca 0.03 2.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.24 3ipt s PRO 96 Cb -0.18 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.18 3ipt s PRO 96 CO 0.06 -0.39 0.42 0.00 -0.33 0.00 0.00 177.00 176.75 3ipt s ALA 98 N -2.72 0.15 -0.04 0.00 0.00 0.27 -1.55 121.76 117.86 3ipt s ALA 98 Ca 0.27 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.66 3ipt s ALA 98 Cb -0.01 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.27 3ipt s ALA 98 CO 0.20 -0.14 -0.03 -1.17 0.00 0.00 0.00 175.76 174.61 3ipt s LEU 99 N -1.41 1.27 -0.18 0.00 2.96 0.77 -0.98 118.68 121.11 3ipt s LEU 99 Ca -0.15 -0.09 -0.13 0.00 -0.22 0.00 0.00 54.13 53.54 3ipt s LEU 99 Cb -0.10 -0.36 -0.05 0.00 0.50 0.00 0.00 46.19 46.18 3ipt s LEU 99 CO -0.01 -0.07 0.24 -1.81 -1.32 0.00 0.00 176.35 173.38 3ipt s ASP 100 N 0.95 6.36 0.06 3.68 1.01 -0.80 -0.18 116.67 127.74 3ipt s ASP 100 Ca -0.11 0.41 0.03 0.00 0.71 0.00 0.00 52.55 53.59 3ipt s ASP 100 Cb -0.14 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 41.61 3ipt s ASP 100 CO -0.01 0.11 -0.08 -0.69 0.21 0.00 0.00 175.17 174.71 3ipt s VAL 101 N 0.49 0.66 -0.04 -1.27 1.01 -0.31 -4.76 120.40 116.18 3ipt s VAL 101 Ca 0.14 -1.30 0.06 0.00 0.00 0.00 0.00 61.98 60.88 3ipt s VAL 101 Cb -0.12 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 3ipt s VAL 101 CO 0.02 -0.47 -0.24 -0.63 0.00 0.00 0.00 175.10 173.79 3ipt s ILE 102 N -1.85 1.93 -0.12 2.22 1.01 -0.79 -0.60 121.20 123.02 3ipt s ILE 102 Ca -0.04 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 59.58 3ipt s ILE 102 Cb -0.07 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3ipt s ILE 102 CO -0.00 0.54 -0.05 -1.81 0.00 0.00 0.00 174.94 173.62 3ipt s ASP 103 N -0.28 4.74 -0.11 3.58 1.11 -0.45 0.80 116.67 126.06 3ipt s ASP 103 Ca 0.01 -0.07 -0.00 0.00 0.18 0.00 0.00 52.55 52.66 3ipt s ASP 103 Cb -0.12 -1.52 -0.02 0.00 1.07 0.00 0.00 42.92 42.33 3ipt s ASP 103 CO 0.02 0.26 -0.09 -0.69 1.18 0.00 0.00 175.17 175.85 3ipt s VAL 104 N -0.19 3.43 0.07 -1.27 1.01 0.40 -1.15 120.40 122.70 3ipt s VAL 104 Ca 0.03 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3ipt s VAL 104 Cb -0.13 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3ipt s VAL 104 CO 0.03 0.54 -0.09 -0.04 0.00 0.00 0.00 175.10 175.54 3ipt s MET 105 N -0.08 0.73 -0.10 2.72 -1.94 0.02 -1.30 119.30 119.35 3ipt s MET 105 Ca -0.00 -1.02 -0.01 0.00 -1.71 0.00 0.00 55.69 52.94 3ipt s MET 105 Cb -0.14 -0.42 0.03 0.00 2.01 0.00 0.00 34.83 36.32 3ipt s MET 105 CO 0.03 0.06 -0.03 0.50 -0.01 0.00 0.00 175.02 175.58 3ipt s ARG 106 N -2.43 1.01 0.31 2.03 3.52 -0.37 -0.95 118.95 122.07 3ipt s ARG 106 Ca 0.00 -0.11 -0.01 0.00 -0.13 0.00 0.00 55.73 55.48 3ipt s ARG 106 Cb -0.05 -1.36 -0.04 0.00 -1.56 0.00 0.00 34.95 31.94 3ipt s ARG 106 CO -0.00 -0.33 0.52 -0.06 -0.81 0.00 0.00 175.30 174.62 3ipt s PHE 107 N 1.84 3.49 0.26 5.12 0.40 0.05 0.26 117.98 129.41 3ipt s PHE 107 Ca 0.04 0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.80 3ipt s PHE 107 Cb -0.13 -1.92 0.04 0.00 0.51 0.00 0.00 43.02 41.52 3ipt s PHE 107 CO -0.07 0.18 0.31 -0.40 0.70 0.00 0.00 175.22 175.95 3ipt n ASP 108 N -1.43 1.24 0.00 1.36 5.68 -0.53 -4.78 116.55 118.10 3ipt n ASP 108 Ca -0.04 -1.76 0.13 0.00 -0.50 0.00 0.00 54.79 52.62 3ipt n ASP 108 Cb 0.55 -0.14 0.65 0.00 -1.14 0.00 0.00 41.12 41.04 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 -1.42 0.27 -0.18 0.11 0.00 -1.26 -1.70 120.64 116.45 3ipt n GLU 109 Ca 0.05 0.04 0.12 0.00 0.00 0.00 0.00 57.16 57.36 3ipt n GLU 109 Cb 0.28 -1.50 0.23 0.00 0.00 0.00 0.00 31.44 30.45 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 -1.35 0.47 -2.82 -1.84 8.25 -1.26 -1.12 115.22 115.56 3ipt n HIS 110 Ca 0.11 -0.23 -0.14 0.00 -0.26 0.00 0.00 57.72 57.20 3ipt n HIS 110 Cb 0.24 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.38 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 1.47 -0.02 3.54 -1.41 0.00 -0.69 -4.87 105.19 103.22 3ipt n GLY 111 Ca 0.19 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.36 2.00 -0.13 1.61 0.52 -1.26 -4.89 118.95 111.44 3ipt s ARG 112 Ca 0.22 -1.08 -0.29 0.00 -0.52 0.00 0.00 55.73 54.06 3ipt s ARG 112 Cb -0.10 -2.23 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 3ipt s ARG 112 CO 0.27 0.50 1.36 0.42 0.02 0.00 0.00 175.30 177.87 3ipt s ILE 113 N -1.19 4.09 -0.05 1.52 1.01 0.65 -1.45 121.20 125.79 3ipt s ILE 113 Ca 0.20 1.33 -0.16 0.00 0.00 0.00 0.00 60.65 62.02 3ipt s ILE 113 Cb -0.11 -3.86 -0.31 0.00 0.01 0.00 0.00 42.46 38.19 3ipt s ILE 113 CO 0.12 -0.11 0.76 -0.61 0.00 0.00 0.00 174.94 175.10 3ipt h GLN 114 N 8.51 0.37 -4.07 2.79 5.75 -0.49 0.22 115.11 128.18 3ipt h GLN 114 Ca -0.30 -0.63 -0.28 0.00 -0.15 0.00 0.00 58.65 57.30 3ipt h GLN 114 Cb 1.12 0.23 -0.28 0.00 1.07 0.00 0.00 27.48 29.63 3ipt h GLN 114 CO 0.96 1.30 -0.74 0.99 -2.65 0.00 0.00 178.83 178.70 3ipt s THR 115 N -2.52 0.24 -0.00 2.39 2.01 -0.95 -1.63 115.64 115.18 3ipt s THR 115 Ca -0.15 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 61.68 3ipt s THR 115 Cb 0.04 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.32 3ipt s THR 115 CO 0.85 0.02 -0.10 -0.32 -0.69 0.00 0.00 174.62 174.38 3ipt s MET 116 N -0.20 0.78 -0.07 4.92 1.75 -0.62 -1.24 119.30 124.64 3ipt s MET 116 Ca -0.00 -0.39 0.01 0.00 -1.25 0.00 0.00 55.69 54.05 3ipt s MET 116 Cb -0.02 -0.75 0.02 0.00 2.84 0.00 0.00 34.83 36.92 3ipt s MET 116 CO -0.00 0.20 -0.06 -0.65 -0.65 0.00 0.00 175.02 173.87 3ipt s GLN 117 N -0.34 1.08 -0.30 4.11 -0.21 -0.42 -1.21 119.66 122.37 3ipt s GLN 117 Ca 0.03 -0.15 -0.06 0.00 0.02 0.00 0.00 55.36 55.21 3ipt s GLN 117 Cb -0.04 -1.11 0.02 0.00 1.00 0.00 0.00 33.01 32.88 3ipt s GLN 117 CO -0.00 -0.14 0.06 0.00 -2.12 0.00 0.00 175.29 173.09 3ipt s ALA 118 N 1.21 2.99 -0.23 6.09 0.00 0.02 -0.46 121.76 131.38 3ipt s ALA 118 Ca -0.06 -1.56 -0.18 0.00 0.00 0.00 0.00 51.96 50.16 3ipt s ALA 118 Cb -0.14 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 3ipt s ALA 118 CO -0.02 -1.05 0.53 0.71 0.00 0.00 0.00 175.76 175.94 3ipt s TYR 119 N 1.43 3.32 -0.10 0.00 1.51 0.24 -0.50 117.35 123.24 3ipt s TYR 119 Ca 0.00 0.72 -0.32 0.00 -1.01 0.00 0.00 57.07 56.46 3ipt s TYR 119 Cb -0.18 -2.71 0.12 0.00 -0.11 0.00 0.00 41.96 39.08 3ipt s TYR 119 CO 0.01 -0.21 1.11 1.67 -1.11 0.00 0.00 175.55 177.02 3ipt s TRP 120 N 2.03 -0.19 0.00 2.71 1.48 -1.26 -1.88 118.94 121.84 3ipt s TRP 120 Ca 0.23 0.09 0.00 0.00 -1.06 0.00 0.00 56.10 55.37 3ipt s TRP 120 Cb -0.16 0.53 0.00 0.00 -1.16 0.00 0.00 33.47 32.69 3ipt s TRP 120 CO 0.09 -0.34 0.00 -1.13 -4.06 0.00 0.00 176.95 171.51 3ipt n SER 121 N -0.19 0.00 0.26 -2.66 3.41 -1.26 -4.71 113.62 108.47 3ipt n SER 121 Ca -0.03 -0.47 0.15 0.00 -0.26 0.00 0.00 58.87 58.25 3ipt n SER 121 Cb 0.60 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.17 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 0.49 114.58 120.47 3ipt h GLU 122 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 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 0.08 -0.04 -0.39 -1.40 0.00 0.00 179.01 177.25 3ipt h VAL 123 N 0.00 0.38 -0.40 3.13 -1.51 -2.00 -1.19 116.25 114.66 3ipt h VAL 123 Ca -0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 3ipt h VAL 123 Cb 0.57 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3ipt h VAL 123 CO 0.01 0.04 0.00 0.59 -1.23 0.00 0.00 177.57 176.98 3ipt n ASN 124 N -3.54 2.78 -4.86 4.19 4.13 0.16 -4.92 115.26 113.19 3ipt n ASN 124 Ca -0.02 -1.93 -0.35 0.00 1.68 0.00 0.00 54.58 53.96 3ipt n ASN 124 Cb 0.15 -0.26 -0.06 0.00 -1.54 0.00 0.00 39.78 38.07 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 -1.30 4.29 -0.02 3.41 0.20 -0.45 -1.90 118.68 122.91 3ipt s LEU 125 Ca 0.36 0.39 -0.01 0.00 0.69 0.00 0.00 54.13 55.55 3ipt s LEU 125 Cb 0.20 -2.22 0.01 0.00 -0.43 0.00 0.00 46.19 43.74 3ipt s LEU 125 CO 0.27 0.35 0.05 -0.44 -0.29 0.00 0.00 176.35 176.30 3ipt s SER 126 N -1.33 -0.03 0.00 3.68 0.01 -0.16 -4.98 113.70 110.89 3ipt s SER 126 Ca 0.19 0.09 0.23 0.00 1.31 0.00 0.00 55.95 57.77 3ipt s SER 126 Cb -0.12 0.07 1.35 0.00 0.21 0.00 0.00 66.02 67.53 3ipt s SER 126 CO 0.09 -0.04 1.72 0.55 0.41 0.00 0.00 173.24 175.97