#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i49 s ALA 16 N 0.00 -2.44 -0.03 1.96 0.00 -1.22 -4.99 121.76 115.03 3i49 s ALA 16 Ca 0.00 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 3i49 s ALA 16 Cb 0.00 0.41 -0.08 0.00 0.00 0.00 0.00 23.12 23.45 3i49 s ALA 16 CO 0.00 -1.08 2.04 0.00 0.00 0.00 0.00 175.76 176.72 3i49 s ALA 17 N -2.16 3.34 0.00 0.00 0.00 -1.26 -0.77 121.76 120.91 3i49 s ALA 17 Ca 0.18 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.31 3i49 s ALA 17 Cb 0.05 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.26 3i49 s ALA 17 CO -0.05 -1.92 0.00 0.41 0.00 0.00 0.00 175.76 174.20 3i49 n GLY 18 N 4.89 0.78 3.31 0.00 0.00 -1.26 -2.48 105.19 110.44 3i49 n GLY 18 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 3i49 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i49 s ALA 19 N -3.02 1.95 0.00 4.61 0.00 0.05 -2.06 121.76 123.28 3i49 s ALA 19 Ca 0.00 -1.31 -0.27 0.00 0.00 0.00 0.00 51.96 50.37 3i49 s ALA 19 Cb 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 23.12 22.91 3i49 s ALA 19 CO 0.00 0.39 0.61 0.54 0.00 0.00 0.00 175.76 177.30 3i49 s VAL 20 N -1.21 0.01 -0.26 0.00 0.11 -0.00 -3.28 120.40 115.77 3i49 s VAL 20 Ca 0.09 -0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 3i49 s VAL 20 Cb -0.10 -0.97 0.03 0.00 -1.53 0.00 0.00 36.38 33.81 3i49 s VAL 20 CO 0.05 -0.04 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.11 3i49 s ILE 21 N -1.80 3.06 -0.92 7.04 1.01 -1.26 -1.14 121.20 127.19 3i49 s ILE 21 Ca -0.08 -1.01 -0.16 0.00 0.00 0.00 0.00 60.65 59.40 3i49 s ILE 21 Cb -0.01 -2.58 0.18 0.00 0.01 0.00 0.00 42.46 40.06 3i49 s ILE 21 CO 0.04 0.14 1.00 -0.76 0.00 0.00 0.00 174.94 175.36 3i49 s LEU 22 N 1.34 5.87 0.17 2.97 1.43 0.13 -4.96 118.68 125.64 3i49 s LEU 22 Ca -0.00 -2.51 -0.31 0.00 -1.03 0.00 0.00 54.13 50.28 3i49 s LEU 22 Cb -0.17 -2.31 -0.10 0.00 0.03 0.00 0.00 46.19 43.65 3i49 s LEU 22 CO -0.03 -0.77 1.50 -0.13 0.23 0.00 0.00 176.35 177.14 3i49 s ARG 23 N 1.25 4.25 0.00 1.70 0.52 -1.26 -1.53 118.95 123.87 3i49 s ARG 23 Ca 0.27 2.28 0.00 0.00 -0.52 0.00 0.00 55.73 57.76 3i49 s ARG 23 Cb -0.07 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.23 3i49 s ARG 23 CO -0.08 -0.52 0.00 0.54 0.02 0.00 0.00 175.30 175.25 3i49 n ARG 24 N 3.59 -1.24 -0.36 3.54 5.12 -1.22 -4.88 116.66 121.21 3i49 n ARG 24 Ca 0.12 0.31 0.12 0.00 -1.93 0.00 0.00 57.85 56.46 3i49 n ARG 24 Cb 0.40 -4.39 0.30 0.00 -1.16 0.00 0.00 32.46 27.61 3i49 n ARG 24 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 3i49 h PHE 25 N 0.00 1.09 -0.51 -1.55 3.57 -1.09 -1.46 116.94 116.99 3i49 h PHE 25 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3i49 h PHE 25 Cb 0.62 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.03 3i49 h PHE 25 CO 0.39 0.28 0.00 0.00 -2.23 0.00 0.00 178.31 176.76 3i49 n ALA 26 N -2.33 2.92 -0.06 2.41 0.00 0.44 -4.57 120.51 119.31 3i49 n ALA 26 Ca 0.22 -1.20 -0.07 0.00 0.00 0.00 0.00 53.44 52.39 3i49 n ALA 26 Cb 0.53 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 3i49 n ALA 26 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3i49 h PHE 27 N 3.19 -0.26 0.00 0.00 3.57 -1.41 -0.34 116.94 121.70 3i49 h PHE 27 Ca 0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3i49 h PHE 27 Cb 1.14 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 3i49 h PHE 27 CO 0.58 -0.17 -0.15 -0.91 -2.23 0.00 0.00 178.31 175.43 3i49 h ASN 28 N -0.07 0.00 0.05 0.41 -0.26 -1.82 -2.80 115.58 111.10 3i49 h ASN 28 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 3i49 h ASN 28 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3i49 h ASN 28 CO -0.31 0.15 -0.62 0.00 -1.06 0.00 0.00 177.43 175.59 3i49 n ALA 29 N -2.39 3.90 -0.19 -0.83 0.00 -0.90 -4.62 120.51 115.48 3i49 n ALA 29 Ca -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3i49 n ALA 29 Cb 0.24 -0.84 0.10 0.00 0.00 0.00 0.00 19.45 18.95 3i49 n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i49 h ALA 30 N 3.52 0.68 -0.63 0.00 0.00 -0.79 -0.33 119.26 121.70 3i49 h ALA 30 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3i49 h ALA 30 Cb 0.63 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3i49 h ALA 30 CO 0.00 -0.31 0.20 0.93 0.00 0.00 0.00 179.25 180.07 3i49 h GLU 31 N 0.25 0.96 -0.25 0.00 5.08 -1.82 -0.98 114.58 117.83 3i49 h GLU 31 Ca 0.30 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 3i49 h GLU 31 Cb 0.44 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3i49 h GLU 31 CO -0.39 0.83 -0.38 0.37 -1.00 0.00 0.00 179.01 178.43 3i49 h GLN 32 N 0.93 0.71 -0.69 2.33 5.75 -1.76 -2.13 115.11 120.25 3i49 h GLN 32 Ca 0.21 -0.42 0.05 0.00 -0.15 0.00 0.00 58.65 58.34 3i49 h GLN 32 Cb 0.27 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.80 3i49 h GLN 32 CO -0.01 1.04 0.40 -0.07 -2.65 0.00 0.00 178.83 177.54 3i49 h LEU 33 N 0.43 0.62 -0.76 -2.39 3.38 -0.74 -0.71 115.31 115.14 3i49 h LEU 33 Ca 0.02 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3i49 h LEU 33 Cb 0.98 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3i49 h LEU 33 CO 0.09 0.40 -0.14 0.40 0.09 0.00 0.00 178.44 179.28 3i49 h ILE 34 N 0.75 1.26 -0.77 1.22 2.04 -1.13 -0.28 117.51 120.60 3i49 h ILE 34 Ca 0.30 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 3i49 h ILE 34 Cb 0.15 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3i49 h ILE 34 CO -0.16 0.42 0.38 0.03 0.00 0.00 0.00 178.15 178.81 3i49 h ARG 35 N 0.71 1.11 0.00 2.37 3.08 -0.64 -2.13 114.38 118.87 3i49 h ARG 35 Ca 0.11 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3i49 h ARG 35 Cb 0.63 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3i49 h ARG 35 CO 0.04 0.85 -0.27 -0.44 -1.07 0.00 0.00 179.97 179.09 3i49 h ASP 36 N 1.08 0.00 -0.37 7.04 3.32 -0.75 -2.06 116.42 124.69 3i49 h ASP 36 Ca 0.27 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 3i49 h ASP 36 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3i49 h ASP 36 CO -0.04 0.27 -0.05 0.40 -1.72 0.00 0.00 179.24 178.10 3i49 h ILE 37 N 0.00 1.27 -0.70 0.35 2.04 -0.45 -0.02 117.51 120.00 3i49 h ILE 37 Ca -0.00 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 3i49 h ILE 37 Cb 0.88 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 3i49 h ILE 37 CO 0.04 0.36 0.29 0.78 0.00 0.00 0.00 178.15 179.62 3i49 h ASN 38 N 0.50 0.93 -0.25 1.72 2.35 -1.11 -0.22 115.58 119.49 3i49 h ASN 38 Ca 0.10 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3i49 h ASN 38 Cb 0.55 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3i49 h ASN 38 CO 0.03 0.82 0.00 -0.78 -1.65 0.00 0.00 177.43 175.85 3i49 h ASP 39 N 1.00 0.43 -0.41 5.81 -0.00 -1.09 -1.99 116.42 120.16 3i49 h ASP 39 Ca 0.24 -0.31 0.01 0.00 -0.00 0.00 0.00 57.03 56.97 3i49 h ASP 39 Cb 0.17 -0.12 -0.02 0.00 -0.00 0.00 0.00 39.33 39.36 3i49 h ASP 39 CO -0.02 0.63 0.27 0.58 -0.00 0.00 0.00 179.24 180.70 3i49 h VAL 40 N 0.22 1.09 0.00 2.25 2.07 -0.67 -2.10 116.25 119.11 3i49 h VAL 40 Ca 0.07 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3i49 h VAL 40 Cb 0.41 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3i49 h VAL 40 CO 0.01 0.10 -0.03 0.00 0.02 0.00 0.00 177.57 177.67 3i49 h ALA 41 N 1.16 1.17 0.00 1.67 0.00 -0.92 -0.65 119.26 121.70 3i49 h ALA 41 Ca 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3i49 h ALA 41 Cb -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i49 h ALA 41 CO -0.04 0.04 -0.16 0.66 0.00 0.00 0.00 179.25 179.74 3i49 h SER 42 N 0.00 0.00 0.00 0.00 4.64 -0.63 -2.48 113.55 115.08 3i49 h SER 42 Ca -0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 3i49 h SER 42 Cb 0.17 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.19 3i49 h SER 42 CO 0.00 0.16 -2.45 1.67 -0.87 0.00 0.00 176.83 175.34 3i49 n GLN 43 N -3.34 0.60 -3.92 4.77 7.27 -0.59 -4.78 117.38 117.38 3i49 n GLN 43 Ca 0.00 0.26 -0.31 0.00 0.07 0.00 0.00 57.00 57.02 3i49 n GLN 43 Cb 0.38 -1.52 -0.13 0.00 2.41 0.00 0.00 30.24 31.38 3i49 n GLN 43 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3i49 s SER 44 N -7.30 4.54 0.69 1.69 0.01 -0.35 -4.97 113.70 108.01 3i49 s SER 44 Ca -0.37 -2.83 -0.17 0.00 1.31 0.00 0.00 55.95 53.89 3i49 s SER 44 Cb 0.13 -1.67 -0.01 0.00 0.21 0.00 0.00 66.02 64.68 3i49 s SER 44 CO 0.52 -0.28 1.00 -2.65 0.41 0.00 0.00 173.24 172.23 3i49 n PRO 45 N 3.38 0.64 -2.10 12.44 -0.02 -0.94 -4.09 135.00 144.32 3i49 n PRO 45 Ca 0.05 0.27 -0.40 0.00 -2.02 0.00 0.00 63.50 61.40 3i49 n PRO 45 Cb 0.35 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 3i49 n PRO 45 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3i49 s PHE 46 N -1.71 2.96 -0.03 6.00 0.40 -1.26 -4.70 117.98 119.64 3i49 s PHE 46 Ca 0.75 1.42 -0.13 0.00 -0.60 0.00 0.00 56.93 58.37 3i49 s PHE 46 Cb -0.36 -3.66 0.02 0.00 0.51 0.00 0.00 43.02 39.53 3i49 s PHE 46 CO 0.48 -1.92 0.28 -0.98 0.70 0.00 0.00 175.22 173.79 3i49 s ARG 47 N -1.98 0.59 -0.47 0.44 3.03 -0.24 -4.87 118.95 115.46 3i49 s ARG 47 Ca 0.52 -0.11 -0.22 0.00 2.03 0.00 0.00 55.73 57.95 3i49 s ARG 47 Cb -0.39 0.26 0.03 0.00 -1.03 0.00 0.00 34.95 33.83 3i49 s ARG 47 CO 0.51 -0.15 0.75 -0.65 -1.13 0.00 0.00 175.30 174.63 3i49 s GLN 48 N -1.08 3.33 0.72 3.89 -0.21 -1.26 -0.42 119.66 124.64 3i49 s GLN 48 Ca -0.11 -0.29 -0.12 0.00 0.02 0.00 0.00 55.36 54.86 3i49 s GLN 48 Cb -0.05 -3.98 0.03 0.00 1.00 0.00 0.00 33.01 30.01 3i49 s GLN 48 CO 0.03 -1.15 1.09 -1.64 -2.12 0.00 0.00 175.29 171.50 3i49 s MET 49 N 3.18 2.55 -0.20 2.91 -1.94 -1.26 -4.66 119.30 119.88 3i49 s MET 49 Ca 0.26 1.20 -0.06 0.00 -1.71 0.00 0.00 55.69 55.39 3i49 s MET 49 Cb -0.13 -1.93 -0.03 0.00 2.01 0.00 0.00 34.83 34.75 3i49 s MET 49 CO 0.20 -1.42 0.02 0.08 -0.01 0.00 0.00 175.02 173.89 3i49 s VAL 50 N -2.75 4.10 0.75 -6.03 1.01 -1.26 -0.98 120.40 115.23 3i49 s VAL 50 Ca 0.62 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 3i49 s VAL 50 Cb -0.18 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.39 3i49 s VAL 50 CO 0.51 0.42 1.11 0.42 0.00 0.00 0.00 175.10 177.56 3i49 s THR 51 N 0.99 3.10 0.58 3.92 -4.23 0.27 -4.61 115.64 115.66 3i49 s THR 51 Ca 0.02 0.41 0.31 0.00 -1.18 0.00 0.00 61.69 61.25 3i49 s THR 51 Cb -0.14 -2.87 0.43 0.00 1.34 0.00 0.00 72.50 71.26 3i49 s THR 51 CO 0.02 -0.41 1.74 -0.65 -0.54 0.00 0.00 174.62 174.78 3i49 h PRO 52 N -0.79 0.00 0.00 3.99 0.11 -1.82 0.58 132.00 134.08 3i49 h PRO 52 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i49 h PRO 52 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3i49 h PRO 52 CO 0.51 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.71 3i49 n GLY 53 N -1.62 -1.68 0.00 -0.55 0.00 -1.26 -4.46 105.19 95.61 3i49 n GLY 53 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3i49 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i49 n GLY 54 N 1.20 1.19 3.66 -0.02 0.00 0.20 -5.11 105.19 106.31 3i49 n GLY 54 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3i49 n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i49 s TYR 55 N -2.00 3.18 -0.16 1.61 1.51 -1.25 -4.84 117.35 115.41 3i49 s TYR 55 Ca 0.00 0.11 -0.29 0.00 -1.01 0.00 0.00 57.07 55.89 3i49 s TYR 55 Cb 0.00 -1.88 -0.00 0.00 -0.11 0.00 0.00 41.96 39.96 3i49 s TYR 55 CO 0.00 0.35 0.99 0.99 -1.11 0.00 0.00 175.55 176.76 3i49 s THR 56 N -0.45 4.76 0.49 -0.71 2.01 -1.26 -0.56 115.64 119.91 3i49 s THR 56 Ca 0.09 1.96 -0.22 0.00 0.31 0.00 0.00 61.69 63.83 3i49 s THR 56 Cb -0.12 -4.28 -0.07 0.00 0.01 0.00 0.00 72.50 68.04 3i49 s THR 56 CO 0.02 -0.06 1.14 -0.04 -0.69 0.00 0.00 174.62 175.00 3i49 s MET 57 N 2.47 3.64 0.17 4.92 -1.94 -0.16 -4.94 119.30 123.45 3i49 s MET 57 Ca 0.45 1.69 0.07 0.00 -1.71 0.00 0.00 55.69 56.20 3i49 s MET 57 Cb -0.17 -2.26 -0.02 0.00 2.01 0.00 0.00 34.83 34.39 3i49 s MET 57 CO 0.13 -0.63 1.39 0.66 -0.01 0.00 0.00 175.02 176.55 3i49 h SER 58 N 1.76 0.03 -3.57 3.03 4.64 -1.91 -3.43 113.55 114.10 3i49 h SER 58 Ca -0.50 -0.03 -0.52 0.00 -0.47 0.00 0.00 61.79 60.28 3i49 h SER 58 Cb 1.25 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3i49 h SER 58 CO 0.59 0.89 0.40 -0.69 -0.87 0.00 0.00 176.83 177.15 3i49 s VAL 59 N -3.04 4.25 -0.05 0.95 1.01 -1.26 -4.73 120.40 117.53 3i49 s VAL 59 Ca -0.00 1.90 -0.11 0.00 0.00 0.00 0.00 61.98 63.78 3i49 s VAL 59 Cb 0.11 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3i49 s VAL 59 CO 0.80 0.31 0.28 0.00 0.00 0.00 0.00 175.10 176.49 3i49 s ALA 60 N -0.13 3.79 0.22 5.51 0.00 -0.81 -4.45 121.76 125.89 3i49 s ALA 60 Ca 0.48 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.02 3i49 s ALA 60 Cb -0.26 -2.17 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 3i49 s ALA 60 CO 0.32 0.56 0.04 -1.64 0.00 0.00 0.00 175.76 175.04 3i49 s MET 61 N -1.13 1.27 0.26 0.00 -1.94 0.44 -0.21 119.30 117.99 3i49 s MET 61 Ca 0.20 -1.65 -0.21 0.00 -1.71 0.00 0.00 55.69 52.32 3i49 s MET 61 Cb -0.14 -0.31 0.05 0.00 2.01 0.00 0.00 34.83 36.43 3i49 s MET 61 CO 0.10 -0.20 0.84 -0.08 -0.01 0.00 0.00 175.02 175.67 3i49 s THR 62 N -3.67 0.00 0.09 2.05 -1.32 -0.82 -1.07 115.64 110.90 3i49 s THR 62 Ca 0.30 -0.86 -0.02 0.00 -1.21 0.00 0.00 61.69 59.90 3i49 s THR 62 Cb 0.07 -2.34 -0.03 0.00 -1.51 0.00 0.00 72.50 68.69 3i49 s THR 62 CO 0.09 0.00 0.04 0.20 -2.21 0.00 0.00 174.62 172.74 3i49 s ASN 63 N -3.03 0.36 0.09 8.08 0.01 -1.26 -0.53 114.94 118.66 3i49 s ASN 63 Ca 0.14 -1.04 -0.09 0.00 -0.71 0.00 0.00 52.86 51.16 3i49 s ASN 63 Cb -0.04 0.26 -0.00 0.00 0.41 0.00 0.00 41.25 41.88 3i49 s ASN 63 CO 0.07 -0.68 0.19 0.00 -1.51 0.00 0.00 177.10 175.17 3i49 n GLY 65 N -0.07 -2.59 0.29 0.00 0.00 0.49 -1.44 105.19 101.88 3i49 n GLY 65 Ca -0.15 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.63 3i49 n GLY 65 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3i49 h HIS 66 N 0.00 1.12 -4.27 1.61 -0.00 -1.69 -3.43 115.15 108.49 3i49 h HIS 66 Ca 0.00 -0.19 -0.69 0.00 -0.00 0.00 0.00 60.37 59.49 3i49 h HIS 66 Cb 0.00 -0.29 -0.26 0.00 -0.00 0.00 0.00 27.41 26.86 3i49 h HIS 66 CO 0.00 0.99 -0.86 -0.51 -0.00 0.00 0.00 177.93 177.55 3i49 s LEU 67 N -9.36 2.29 -0.02 0.26 1.43 -0.38 -4.17 118.68 108.72 3i49 s LEU 67 Ca -0.12 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.54 3i49 s LEU 67 Cb 0.13 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 3i49 s LEU 67 CO 0.85 0.28 -0.20 -0.83 0.23 0.00 0.00 176.35 176.68 3i49 s GLY 68 N -1.12 0.98 0.13 -3.19 0.00 -0.50 -4.10 107.32 99.52 3i49 s GLY 68 Ca 0.12 -0.85 -0.30 0.00 0.00 0.00 0.00 44.72 43.69 3i49 s GLY 68 CO 0.02 -0.68 1.11 0.86 0.00 0.00 0.00 173.10 174.41 3i49 s TRP 69 N -0.42 3.56 0.22 1.90 -0.00 -1.26 -1.57 118.94 121.38 3i49 s TRP 69 Ca 0.06 1.53 -0.05 0.00 -0.00 0.00 0.00 56.10 57.65 3i49 s TRP 69 Cb -0.08 -3.30 -0.03 0.00 -0.00 0.00 0.00 33.47 30.06 3i49 s TRP 69 CO -0.00 -0.72 0.27 0.95 -0.00 0.00 0.00 176.95 177.44 3i49 s THR 70 N 0.21 0.00 0.14 5.86 -4.23 -0.21 -4.94 115.64 112.47 3i49 s THR 70 Ca 0.52 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 59.33 3i49 s THR 70 Cb -0.29 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 3i49 s THR 70 CO 0.33 0.00 -0.10 0.42 -0.54 0.00 0.00 174.62 174.73 3i49 s THR 71 N -4.05 3.27 0.20 3.99 -4.23 -1.26 -1.76 115.64 111.80 3i49 s THR 71 Ca 0.33 -1.47 0.05 0.00 -1.18 0.00 0.00 61.69 59.43 3i49 s THR 71 Cb 0.04 -2.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 3i49 s THR 71 CO 0.12 -0.00 -0.07 -2.28 -0.54 0.00 0.00 174.62 171.84 3i49 s HIS 72 N -1.45 1.54 0.57 3.99 2.46 0.36 -4.93 115.29 117.82 3i49 s HIS 72 Ca 0.23 -0.76 0.40 0.00 0.47 0.00 0.00 55.06 55.39 3i49 s HIS 72 Cb -0.10 -0.82 1.51 0.00 -0.13 0.00 0.00 32.58 33.05 3i49 s HIS 72 CO 0.14 0.13 1.63 0.00 -2.47 0.00 0.00 174.74 174.17 3i49 h ARG 73 N 2.57 0.00 -1.59 2.88 3.08 -1.91 -3.08 114.38 116.33 3i49 h ARG 73 Ca -0.38 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.30 3i49 h ARG 73 Cb 1.21 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.99 3i49 h ARG 73 CO 0.64 0.00 -0.74 0.94 -1.07 0.00 0.00 179.97 179.74 3i49 n GLN 74 N -3.87 0.41 0.00 0.04 -0.06 -1.26 -4.58 117.38 108.05 3i49 n GLN 74 Ca 0.31 -2.58 0.00 0.00 -2.00 0.00 0.00 57.00 52.73 3i49 n GLN 74 Cb 1.55 -1.54 0.00 0.00 -4.06 0.00 0.00 30.24 26.19 3i49 n GLN 74 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i49 n GLY 75 N 2.73 3.49 3.91 1.69 0.00 -1.16 -5.05 105.19 110.81 3i49 n GLY 75 Ca 0.23 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 3i49 n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i49 s TYR 76 N -2.31 3.48 -0.05 1.61 2.02 -1.26 -0.49 117.35 120.35 3i49 s TYR 76 Ca 0.00 0.60 -0.30 0.00 -0.37 0.00 0.00 57.07 56.99 3i49 s TYR 76 Cb 0.00 -2.07 0.11 0.00 -0.40 0.00 0.00 41.96 39.60 3i49 s TYR 76 CO 0.00 0.21 0.98 -0.48 -1.57 0.00 0.00 175.55 174.70 3i49 s LEU 77 N -3.47 -0.29 0.02 -1.29 -0.00 -0.72 -4.93 118.68 107.99 3i49 s LEU 77 Ca 0.43 -0.02 -0.06 0.00 -0.00 0.00 0.00 54.13 54.49 3i49 s LEU 77 Cb -0.11 1.84 -0.05 0.00 -0.00 0.00 0.00 46.19 47.88 3i49 s LEU 77 CO 0.29 -0.52 0.26 -0.31 -0.00 0.00 0.00 176.35 176.07 3i49 s TYR 78 N -2.92 3.56 -0.05 3.48 1.51 -1.26 -1.05 117.35 120.62 3i49 s TYR 78 Ca 0.07 0.53 -0.08 0.00 -1.01 0.00 0.00 57.07 56.57 3i49 s TYR 78 Cb -0.01 -1.96 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 3i49 s TYR 78 CO -0.07 0.60 0.21 0.45 -1.11 0.00 0.00 175.55 175.63 3i49 s SER 79 N -1.82 -0.16 0.00 2.29 0.15 -0.61 -4.91 113.70 108.65 3i49 s SER 79 Ca 0.29 0.22 0.28 0.00 0.70 0.00 0.00 55.95 57.44 3i49 s SER 79 Cb -0.13 0.37 1.38 0.00 -1.71 0.00 0.00 66.02 65.92 3i49 s SER 79 CO 0.18 -0.20 1.96 -0.81 1.20 0.00 0.00 173.24 175.57 3i49 n PRO 80 N 2.35 0.30 -4.87 5.44 -0.04 -1.26 -1.41 135.00 135.51 3i49 n PRO 80 Ca -0.16 0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 62.99 3i49 n PRO 80 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 3i49 n PRO 80 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i49 s ILE 81 N -2.68 2.95 -0.24 0.52 -1.09 -1.26 -3.01 121.20 116.40 3i49 s ILE 81 Ca 0.24 -0.73 -0.29 0.00 -2.23 0.00 0.00 60.65 57.64 3i49 s ILE 81 Cb 0.19 -2.19 -0.01 0.00 -1.58 0.00 0.00 42.46 38.86 3i49 s ILE 81 CO 0.45 0.56 1.37 -0.62 -1.23 0.00 0.00 174.94 175.47 3i49 s ASP 82 N -0.12 6.68 0.27 3.58 -1.08 0.47 -4.90 116.67 121.58 3i49 s ASP 82 Ca -0.02 1.46 0.22 0.00 -0.52 0.00 0.00 52.55 53.69 3i49 s ASP 82 Cb -0.14 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 39.82 3i49 s ASP 82 CO 0.04 -1.03 1.67 -0.81 0.52 0.00 0.00 175.17 175.56 3i49 n PRO 83 N 7.20 0.17 -0.09 4.34 -0.04 -1.26 0.72 135.00 146.04 3i49 n PRO 83 Ca 0.15 0.51 -0.21 0.00 -0.04 0.00 0.00 63.50 63.90 3i49 n PRO 83 Cb 0.46 -1.89 -0.12 0.00 -0.04 0.00 0.00 33.50 31.90 3i49 n PRO 83 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3i49 h GLN 84 N 0.00 0.04 0.00 0.54 4.15 -1.95 -3.38 115.11 114.51 3i49 h GLN 84 Ca 0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 3i49 h GLN 84 Cb 0.22 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 3i49 h GLN 84 CO 0.00 1.03 -0.75 1.79 -1.93 0.00 0.00 178.83 178.97 3i49 h THR 85 N -0.87 0.00 -1.21 2.39 1.35 -1.92 -3.47 112.91 109.17 3i49 h THR 85 Ca -0.34 -1.00 -0.31 0.00 -0.55 0.00 0.00 66.41 64.20 3i49 h THR 85 Cb 1.38 1.62 -0.09 0.00 -1.73 0.00 0.00 68.15 69.34 3i49 h THR 85 CO -0.16 0.00 -0.32 0.59 -0.25 0.00 0.00 175.52 175.37 3i49 n ASN 86 N -2.78 -4.80 -4.52 5.36 4.13 0.22 -5.00 115.26 107.87 3i49 n ASN 86 Ca 0.01 0.26 -0.25 0.00 1.68 0.00 0.00 54.58 56.27 3i49 n ASN 86 Cb 0.55 -3.75 -0.10 0.00 -1.54 0.00 0.00 39.78 34.94 3i49 n ASN 86 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3i49 s LYS 87 N -3.78 1.79 0.78 3.52 1.02 -1.23 -4.85 119.74 116.98 3i49 s LYS 87 Ca 0.00 -1.87 -0.14 0.00 0.02 0.00 0.00 55.97 53.99 3i49 s LYS 87 Cb 0.00 -1.74 0.07 0.00 -0.52 0.00 0.00 37.83 35.63 3i49 s LYS 87 CO 0.00 0.21 1.19 -2.14 -0.92 0.00 0.00 175.35 173.69 3i49 s PRO 88 N -3.58 1.88 0.67 -1.68 0.02 -1.26 -0.39 135.00 130.66 3i49 s PRO 88 Ca 0.32 1.68 -0.14 0.00 0.02 0.00 0.00 61.00 62.88 3i49 s PRO 88 Cb -0.00 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.71 3i49 s PRO 88 CO 0.16 -2.01 1.09 -1.58 -0.33 0.00 0.00 177.00 174.33 3i49 s TRP 89 N -2.19 2.76 0.84 6.54 0.52 -1.16 -4.66 118.94 121.58 3i49 s TRP 89 Ca 0.72 1.53 -0.12 0.00 0.02 0.00 0.00 56.10 58.25 3i49 s TRP 89 Cb -0.27 -3.08 0.10 0.00 -1.15 0.00 0.00 33.47 29.08 3i49 s TRP 89 CO 0.49 -1.52 1.18 -2.14 0.02 0.00 0.00 176.95 174.98 3i49 s PRO 90 N -4.34 1.48 0.69 4.98 0.02 -1.26 -4.68 135.00 131.89 3i49 s PRO 90 Ca 0.64 1.65 -0.14 0.00 0.02 0.00 0.00 61.00 63.17 3i49 s PRO 90 Cb -0.18 -1.77 0.01 0.00 0.02 0.00 0.00 34.50 32.59 3i49 s PRO 90 CO 0.44 -2.31 1.10 0.00 -0.33 0.00 0.00 177.00 175.91 3i49 s ALA 91 N -2.36 2.42 -0.04 -1.55 0.00 -1.26 -0.38 121.76 118.59 3i49 s ALA 91 Ca 0.70 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 3i49 s ALA 91 Cb -0.26 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 3i49 s ALA 91 CO 0.53 -1.40 1.70 1.41 0.00 0.00 0.00 175.76 178.00 3i49 s MET 92 N -4.32 4.18 0.70 0.00 1.75 -1.26 -4.26 119.30 116.08 3i49 s MET 92 Ca 0.65 2.26 -0.16 0.00 -1.25 0.00 0.00 55.69 57.19 3i49 s MET 92 Cb -0.19 -4.00 0.02 0.00 2.84 0.00 0.00 34.83 33.50 3i49 s MET 92 CO 0.46 -0.86 1.24 -2.14 -0.65 0.00 0.00 175.02 173.07 3i49 s PRO 93 N 4.05 2.29 0.22 4.11 0.02 -1.26 -4.83 135.00 139.60 3i49 s PRO 93 Ca 0.76 1.88 -0.08 0.00 0.02 0.00 0.00 61.00 63.58 3i49 s PRO 93 Cb -0.35 -1.84 0.18 0.00 0.02 0.00 0.00 34.50 32.51 3i49 s PRO 93 CO 0.31 -1.75 1.82 0.37 -0.33 0.00 0.00 177.00 177.42 3i49 h GLN 94 N 0.04 1.20 -0.96 5.54 4.15 -1.99 -1.70 115.11 121.39 3i49 h GLN 94 Ca -0.49 -0.17 0.02 0.00 0.77 0.00 0.00 58.65 58.77 3i49 h GLN 94 Cb 1.31 -0.22 -0.05 0.00 0.21 0.00 0.00 27.48 28.74 3i49 h GLN 94 CO 0.51 0.92 0.63 0.66 -1.93 0.00 0.00 178.83 179.62 3i49 h SER 95 N 1.19 1.08 0.13 -0.69 4.64 -1.96 -0.63 113.55 117.31 3i49 h SER 95 Ca 0.29 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 3i49 h SER 95 Cb 0.11 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3i49 h SER 95 CO -0.04 0.78 -0.06 -0.26 -0.87 0.00 0.00 176.83 176.38 3i49 h PHE 96 N 1.28 -0.16 -0.24 4.77 -1.00 -1.81 -1.83 116.94 117.95 3i49 h PHE 96 Ca 0.36 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 61.16 3i49 h PHE 96 Cb -0.12 0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.46 3i49 h PHE 96 CO -0.01 0.04 0.04 1.25 -1.61 0.00 0.00 178.31 178.03 3i49 h HIS 97 N -0.34 0.07 -0.27 -0.55 2.76 -0.96 -0.81 115.15 115.05 3i49 h HIS 97 Ca -0.02 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3i49 h HIS 97 Cb 0.27 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3i49 h HIS 97 CO -0.02 0.02 0.09 -0.91 -1.30 0.00 0.00 177.93 175.81 3i49 h ASN 98 N 0.13 0.39 -0.21 3.26 2.35 -1.12 -1.81 115.58 118.58 3i49 h ASN 98 Ca 0.11 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3i49 h ASN 98 Cb 0.11 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3i49 h ASN 98 CO -0.15 0.49 0.09 0.25 -1.65 0.00 0.00 177.43 176.46 3i49 h LEU 99 N 0.28 0.28 -0.41 1.61 7.12 -1.23 -2.12 115.31 120.84 3i49 h LEU 99 Ca 0.09 -0.15 0.06 0.00 0.13 0.00 0.00 57.88 58.00 3i49 h LEU 99 Cb 0.23 -0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.23 3i49 h LEU 99 CO -0.00 0.36 0.11 0.00 -0.13 0.00 0.00 178.44 178.78 3i49 h GLN 101 N 0.26 0.33 -0.43 0.00 4.15 -1.18 0.32 115.11 118.55 3i49 h GLN 101 Ca 0.19 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 3i49 h GLN 101 Cb 0.21 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3i49 h GLN 101 CO -0.23 0.22 0.23 0.00 -1.93 0.00 0.00 178.83 177.12 3i49 h ARG 102 N 0.34 0.60 -0.28 1.69 3.08 -0.97 -1.26 114.38 117.57 3i49 h ARG 102 Ca 0.14 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3i49 h ARG 102 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3i49 h ARG 102 CO -0.10 0.48 0.15 0.00 -1.07 0.00 0.00 179.97 179.44 3i49 h ALA 103 N 1.08 0.36 -0.41 0.04 0.00 -0.87 -0.97 119.26 118.49 3i49 h ALA 103 Ca 0.15 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3i49 h ALA 103 Cb 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3i49 h ALA 103 CO -0.02 -0.11 0.19 0.00 0.00 0.00 0.00 179.25 179.30 3i49 h ALA 104 N 1.02 0.51 -0.37 0.00 0.00 -0.74 -0.70 119.26 118.98 3i49 h ALA 104 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i49 h ALA 104 Cb 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3i49 h ALA 104 CO -0.02 -0.18 0.24 1.15 0.00 0.00 0.00 179.25 180.45 3i49 h THR 105 N 0.39 1.10 0.00 0.00 2.02 -1.01 0.89 112.91 116.30 3i49 h THR 105 Ca 0.18 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3i49 h THR 105 Cb 0.11 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3i49 h THR 105 CO -0.14 0.10 -0.12 0.00 0.37 0.00 0.00 175.52 175.73 3i49 h ALA 106 N 1.13 1.50 -0.01 6.16 0.00 -0.74 -2.19 119.26 125.12 3i49 h ALA 106 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i49 h ALA 106 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i49 h ALA 106 CO -0.03 0.15 -0.16 0.00 0.00 0.00 0.00 179.25 179.20 3i49 n ALA 107 N -2.38 2.89 -0.07 0.00 0.00 -0.31 -4.93 120.51 115.72 3i49 n ALA 107 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3i49 n ALA 107 Cb 0.21 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3i49 n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i49 n GLY 108 N 1.28 0.98 2.42 0.00 0.00 -0.82 -4.94 105.19 104.11 3i49 n GLY 108 Ca 0.14 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3i49 n GLY 108 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i49 n TYR 109 N -2.05 1.11 0.27 1.61 4.02 0.24 -4.98 117.16 117.38 3i49 n TYR 109 Ca 0.00 -3.78 0.15 0.00 -0.01 0.00 0.00 57.90 54.26 3i49 n TYR 109 Cb 0.00 -0.30 0.78 0.00 -0.02 0.00 0.00 39.34 39.80 3i49 n TYR 109 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3i49 h PRO 110 N 4.69 0.00 -0.49 -0.72 0.13 -1.82 -3.16 132.00 130.63 3i49 h PRO 110 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3i49 h PRO 110 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3i49 h PRO 110 CO 0.58 0.09 0.00 -3.47 -0.23 0.00 0.00 178.00 174.96 3i49 n ASP 111 N -3.42 4.29 -4.68 1.44 2.03 -1.26 -4.85 116.55 110.11 3i49 n ASP 111 Ca -0.01 -2.54 -0.42 0.00 0.52 0.00 0.00 54.79 52.33 3i49 n ASP 111 Cb 0.24 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 40.10 3i49 n ASP 111 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3i49 s PHE 112 N -2.00 2.03 -0.46 -0.67 5.36 -1.20 -4.96 117.98 116.08 3i49 s PHE 112 Ca 0.44 0.08 0.03 0.00 -0.96 0.00 0.00 56.93 56.52 3i49 s PHE 112 Cb 0.30 -4.04 0.13 0.00 -0.34 0.00 0.00 43.02 39.07 3i49 s PHE 112 CO 0.18 -4.35 0.24 -0.65 -1.46 0.00 0.00 175.22 169.18 3i49 s GLN 113 N 3.38 1.52 0.48 10.12 -1.52 -1.26 -4.89 119.66 127.49 3i49 s GLN 113 Ca 0.78 -2.20 -0.22 0.00 -1.95 0.00 0.00 55.36 51.77 3i49 s GLN 113 Cb -0.40 -2.69 -0.07 0.00 -0.22 0.00 0.00 33.01 29.63 3i49 s GLN 113 CO 0.34 -1.13 1.16 -1.25 -0.25 0.00 0.00 175.29 174.16 3i49 s PRO 114 N 0.17 3.67 -0.03 2.91 0.04 -1.26 -4.71 135.00 135.78 3i49 s PRO 114 Ca 0.17 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.00 3i49 s PRO 114 Cb -0.25 -2.32 0.07 0.00 0.04 0.00 0.00 34.50 32.05 3i49 s PRO 114 CO -0.00 -0.62 0.96 -0.40 0.04 0.00 0.00 177.00 176.98 3i49 n ASP 115 N -0.66 1.62 -3.64 6.66 5.68 -0.53 -4.95 116.55 120.73 3i49 n ASP 115 Ca 0.08 -2.12 -0.14 0.00 -0.50 0.00 0.00 54.79 52.11 3i49 n ASP 115 Cb 0.49 -0.13 -0.07 0.00 -1.14 0.00 0.00 41.12 40.27 3i49 n ASP 115 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i49 s ALA 116 N -1.25 -1.74 -0.08 2.12 0.00 -0.99 -1.25 121.76 118.56 3i49 s ALA 116 Ca 0.08 2.00 -0.02 0.00 0.00 0.00 0.00 51.96 54.03 3i49 s ALA 116 Cb 0.07 -1.16 0.03 0.00 0.00 0.00 0.00 23.12 22.06 3i49 s ALA 116 CO 0.01 -0.33 0.02 0.00 0.00 0.00 0.00 175.76 175.45 3i49 s LEU 118 N 2.00 4.11 -0.28 0.00 2.96 -0.05 -1.66 118.68 125.75 3i49 s LEU 118 Ca 0.04 0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 54.28 3i49 s LEU 118 Cb -0.13 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 3i49 s LEU 118 CO -0.05 -0.11 0.14 -0.63 -1.32 0.00 0.00 176.35 174.37 3i49 s ILE 119 N 1.60 4.76 -0.09 6.68 1.01 0.31 -0.76 121.20 134.70 3i49 s ILE 119 Ca 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 3i49 s ILE 119 Cb -0.15 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 3i49 s ILE 119 CO 0.08 0.21 -0.00 0.20 0.00 0.00 0.00 174.94 175.43 3i49 s ASN 120 N 1.66 5.19 -0.17 3.58 0.01 0.51 -1.94 114.94 123.79 3i49 s ASN 120 Ca 0.06 0.12 0.01 0.00 -0.71 0.00 0.00 52.86 52.34 3i49 s ASN 120 Cb -0.16 -1.49 0.02 0.00 0.41 0.00 0.00 41.25 40.03 3i49 s ASN 120 CO 0.07 0.36 -0.19 -0.60 -1.51 0.00 0.00 177.10 175.23 3i49 s ARG 121 N -0.78 2.88 -0.30 -0.60 3.52 0.70 -1.00 118.95 123.38 3i49 s ARG 121 Ca 0.12 -0.79 -0.08 0.00 -0.13 0.00 0.00 55.73 54.85 3i49 s ARG 121 Cb -0.11 -2.46 -0.00 0.00 -1.56 0.00 0.00 34.95 30.81 3i49 s ARG 121 CO 0.02 -0.17 0.12 0.71 -0.81 0.00 0.00 175.30 175.17 3i49 s TYR 122 N 1.22 3.16 0.62 5.12 1.51 0.11 -1.92 117.35 127.17 3i49 s TYR 122 Ca 0.02 -0.71 -0.05 0.00 -1.01 0.00 0.00 57.07 55.33 3i49 s TYR 122 Cb -0.13 -2.31 0.03 0.00 -0.11 0.00 0.00 41.96 39.44 3i49 s TYR 122 CO -0.10 -0.49 0.91 0.00 -1.11 0.00 0.00 175.55 174.75 3i49 s ALA 123 N 1.57 3.36 0.19 3.71 0.00 -1.26 -1.63 121.76 127.70 3i49 s ALA 123 Ca 0.04 -0.91 -0.33 0.00 0.00 0.00 0.00 51.96 50.77 3i49 s ALA 123 Cb -0.17 -2.49 -0.14 0.00 0.00 0.00 0.00 23.12 20.32 3i49 s ALA 123 CO 0.05 -0.96 1.42 -2.30 0.00 0.00 0.00 175.76 173.97 3i49 n PRO 124 N -2.65 1.88 0.00 0.00 -0.02 -1.26 -1.31 135.00 131.64 3i49 n PRO 124 Ca 0.06 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3i49 n PRO 124 Cb 0.59 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3i49 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i49 n GLY 125 N 2.56 2.62 3.76 -1.23 0.00 0.84 -4.91 105.19 108.84 3i49 n GLY 125 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3i49 n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i49 s ALA 126 N -2.13 2.48 0.21 4.61 0.00 -0.42 -4.19 121.76 122.32 3i49 s ALA 126 Ca 0.00 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 52.56 3i49 s ALA 126 Cb 0.00 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 3i49 s ALA 126 CO 0.00 -1.22 0.41 -1.59 0.00 0.00 0.00 175.76 173.36 3i49 s LYS 127 N -3.78 1.39 -0.24 0.00 -2.85 -1.26 -0.70 119.74 112.30 3i49 s LYS 127 Ca 0.71 -1.19 -0.02 0.00 -1.00 0.00 0.00 55.97 54.47 3i49 s LYS 127 Cb -0.24 0.44 0.08 0.00 -2.06 0.00 0.00 37.83 36.05 3i49 s LYS 127 CO 0.37 -0.56 0.05 -1.17 0.10 0.00 0.00 175.35 174.15 3i49 s LEU 128 N -2.99 1.71 0.72 2.77 2.96 -0.55 -4.30 118.68 119.01 3i49 s LEU 128 Ca 0.20 -1.17 -0.16 0.00 -0.22 0.00 0.00 54.13 52.78 3i49 s LEU 128 Cb 0.01 -0.76 0.03 0.00 0.50 0.00 0.00 46.19 45.98 3i49 s LEU 128 CO 0.05 -0.34 1.24 -1.20 -1.32 0.00 0.00 176.35 174.77 3i49 n SER 129 N 4.94 1.53 -4.58 3.68 7.64 -1.26 -0.91 113.62 124.65 3i49 n SER 129 Ca -0.07 0.71 -0.52 0.00 1.01 0.00 0.00 58.87 60.01 3i49 n SER 129 Cb 0.45 -1.53 -0.06 0.00 -1.01 0.00 0.00 64.21 62.06 3i49 n SER 129 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3i49 n LEU 130 N -2.51 1.42 -3.84 -3.43 7.94 -1.26 -4.70 117.00 110.62 3i49 n LEU 130 Ca 0.15 1.13 -0.07 0.00 -1.11 0.00 0.00 56.01 56.11 3i49 n LEU 130 Cb 0.49 -1.17 -0.01 0.00 0.53 0.00 0.00 43.42 43.26 3i49 n LEU 130 CO 0.48 -1.22 0.52 -1.38 -1.11 0.00 0.00 177.39 174.67 3i49 s HIS 131 N 0.25 -0.14 0.07 1.96 -3.43 -0.00 -4.89 115.29 109.11 3i49 s HIS 131 Ca 0.82 -0.33 0.07 0.00 -0.80 0.00 0.00 55.06 54.82 3i49 s HIS 131 Cb -0.96 0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 30.88 3i49 s HIS 131 CO 0.49 -1.23 -0.15 -0.65 -2.00 0.00 0.00 174.74 171.20 3i49 s GLN 132 N -3.59 2.07 -0.98 -0.38 -0.21 -1.26 -0.86 119.66 114.44 3i49 s GLN 132 Ca 0.12 -1.01 -0.17 0.00 0.02 0.00 0.00 55.36 54.33 3i49 s GLN 132 Cb -0.05 -2.23 0.16 0.00 1.00 0.00 0.00 33.01 31.88 3i49 s GLN 132 CO 0.07 0.53 1.14 -0.51 -2.12 0.00 0.00 175.29 174.40 3i49 s ASP 133 N -1.76 6.77 -0.22 5.90 1.11 -1.26 -4.79 116.67 122.42 3i49 s ASP 133 Ca 0.17 -2.39 0.11 0.00 0.18 0.00 0.00 52.55 50.62 3i49 s ASP 133 Cb -0.11 -2.37 0.43 0.00 1.07 0.00 0.00 42.92 41.95 3i49 s ASP 133 CO 0.08 -0.90 1.26 2.29 1.18 0.00 0.00 175.17 179.08 3i49 n LYS 134 N 5.88 1.63 -0.20 8.23 2.85 -1.26 -4.63 118.16 130.65 3i49 n LYS 134 Ca 0.25 -3.26 0.09 0.00 -1.05 0.00 0.00 58.31 54.34 3i49 n LYS 134 Cb 0.47 -1.65 0.20 0.00 -0.65 0.00 0.00 35.03 33.40 3i49 n LYS 134 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3i49 n ASP 135 N -1.13 3.19 -4.36 -5.58 10.43 -1.26 -4.92 116.55 112.92 3i49 n ASP 135 Ca 0.21 -1.93 -0.34 0.00 2.57 0.00 0.00 54.79 55.30 3i49 n ASP 135 Cb 0.75 -0.27 -0.14 0.00 1.84 0.00 0.00 41.12 43.31 3i49 n ASP 135 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3i49 s GLU 136 N -1.12 3.45 0.10 -1.24 8.01 -1.26 -4.86 118.70 121.77 3i49 s GLU 136 Ca 0.32 -0.61 -0.27 0.00 0.01 0.00 0.00 54.97 54.42 3i49 s GLU 136 Cb 0.18 -2.95 -0.11 0.00 -4.31 0.00 0.00 34.13 26.94 3i49 s GLU 136 CO 0.24 -0.05 1.65 -1.35 0.01 0.00 0.00 175.26 175.76 3i49 h PRO 137 N 7.64 -0.46 -6.19 0.39 0.11 -1.85 -3.40 132.00 128.23 3i49 h PRO 137 Ca -0.37 0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.21 3i49 h PRO 137 Cb 1.18 0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.30 3i49 h PRO 137 CO 0.60 -0.31 0.94 0.34 -0.21 0.00 0.00 178.00 179.36 3i49 s ASP 138 N -4.80 6.20 0.00 -2.05 3.68 -1.26 -4.88 116.67 113.56 3i49 s ASP 138 Ca -0.16 -0.49 0.26 0.00 2.13 0.00 0.00 52.55 54.29 3i49 s ASP 138 Cb 0.07 -2.53 1.48 0.00 -1.45 0.00 0.00 42.92 40.49 3i49 s ASP 138 CO 0.65 -1.70 1.88 0.18 0.13 0.00 0.00 175.17 176.31 3i49 n LEU 139 N 8.89 0.00 0.21 -1.34 4.77 -1.26 -2.92 117.00 125.35 3i49 n LEU 139 Ca 0.02 0.06 0.10 0.00 -0.03 0.00 0.00 56.01 56.16 3i49 n LEU 139 Cb 0.48 -0.06 0.28 0.00 -2.33 0.00 0.00 43.42 41.80 3i49 n LEU 139 CO 0.69 -0.01 0.75 0.03 -1.33 0.00 0.00 177.39 177.52 3i49 h ARG 140 N 0.00 0.00 -6.11 3.23 3.08 -1.97 -3.40 114.38 109.21 3i49 h ARG 140 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3i49 h ARG 140 Cb 0.05 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 3i49 h ARG 140 CO 0.00 0.18 0.13 0.00 -1.07 0.00 0.00 179.97 179.22 3i49 s ALA 141 N -3.32 3.31 0.91 0.04 0.00 -1.15 -4.79 121.76 116.76 3i49 s ALA 141 Ca 0.04 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.06 3i49 s ALA 141 Cb 0.07 -3.01 0.17 0.00 0.00 0.00 0.00 23.12 20.35 3i49 s ALA 141 CO 0.66 -0.11 1.27 -1.25 0.00 0.00 0.00 175.76 176.33 3i49 s PRO 142 N 0.77 1.01 -0.18 0.00 0.04 -1.26 -4.89 135.00 130.48 3i49 s PRO 142 Ca 0.40 -0.35 -0.04 0.00 0.04 0.00 0.00 61.00 61.05 3i49 s PRO 142 Cb -0.18 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 3i49 s PRO 142 CO 0.20 -2.16 -0.02 0.42 0.04 0.00 0.00 177.00 175.47 3i49 s ILE 143 N -3.77 3.90 -0.26 0.56 -1.09 0.14 -4.61 121.20 116.07 3i49 s ILE 143 Ca 0.71 -0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 58.75 3i49 s ILE 143 Cb -0.05 -2.74 0.01 0.00 -1.58 0.00 0.00 42.46 38.10 3i49 s ILE 143 CO 0.51 0.46 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.99 3i49 s VAL 144 N 0.68 3.34 -0.25 2.92 1.01 -1.04 -1.93 120.40 125.13 3i49 s VAL 144 Ca -0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 3i49 s VAL 144 Cb -0.14 -2.68 0.04 0.00 0.00 0.00 0.00 36.38 33.60 3i49 s VAL 144 CO 0.02 0.19 -0.08 -0.55 0.00 0.00 0.00 175.10 174.69 3i49 s SER 145 N 1.41 4.31 -0.21 3.32 0.15 0.71 -0.80 113.70 122.60 3i49 s SER 145 Ca 0.02 -1.06 -0.09 0.00 0.70 0.00 0.00 55.95 55.52 3i49 s SER 145 Cb -0.16 -1.62 -0.05 0.00 -1.71 0.00 0.00 66.02 62.48 3i49 s SER 145 CO -0.02 -0.15 0.12 -0.69 1.20 0.00 0.00 173.24 173.69 3i49 s VAL 146 N 1.25 5.16 -0.13 4.45 1.01 0.38 -0.43 120.40 132.10 3i49 s VAL 146 Ca -0.03 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 3i49 s VAL 146 Cb -0.18 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 3i49 s VAL 146 CO -0.05 0.42 0.19 -0.44 0.00 0.00 0.00 175.10 175.21 3i49 s SER 147 N 0.61 6.41 -0.02 3.32 0.01 0.26 -1.15 113.70 123.13 3i49 s SER 147 Ca 0.06 0.48 -0.01 0.00 1.31 0.00 0.00 55.95 57.79 3i49 s SER 147 Cb -0.12 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.01 3i49 s SER 147 CO 0.01 0.31 0.05 -0.76 0.41 0.00 0.00 173.24 173.26 3i49 s LEU 148 N -0.55 1.48 0.00 2.44 1.43 -0.25 -0.54 118.68 122.69 3i49 s LEU 148 Ca 0.15 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 3i49 s LEU 148 Cb -0.12 0.12 0.00 0.00 0.03 0.00 0.00 46.19 46.22 3i49 s LEU 148 CO 0.04 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.16 3i49 n GLY 149 N 3.51 0.64 3.71 -3.19 0.00 -1.26 -0.23 105.19 108.37 3i49 n GLY 149 Ca -0.18 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 3i49 n GLY 149 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i49 n LEU 150 N 0.00 4.69 -4.80 0.99 4.77 -1.03 -3.62 117.00 118.00 3i49 n LEU 150 Ca 0.00 1.00 -0.34 0.00 -0.03 0.00 0.00 56.01 56.64 3i49 n LEU 150 Cb 0.00 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 39.55 3i49 n LEU 150 CO 0.00 -0.80 0.72 -2.16 -1.33 0.00 0.00 177.39 173.81 3i49 s PRO 151 N -2.61 3.69 0.06 3.23 0.04 -1.26 -4.68 135.00 133.47 3i49 s PRO 151 Ca 0.68 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 3i49 s PRO 151 Cb -0.45 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 3i49 s PRO 151 CO 0.52 -0.52 0.06 0.00 0.04 0.00 0.00 177.00 177.10 3i49 s ALA 152 N -2.06 0.18 -0.27 8.56 0.00 -0.62 -4.54 121.76 123.01 3i49 s ALA 152 Ca 0.67 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 51.59 3i49 s ALA 152 Cb -0.17 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3i49 s ALA 152 CO 0.23 -0.40 0.28 0.42 0.00 0.00 0.00 175.76 176.29 3i49 s ILE 153 N -3.64 5.25 -0.21 0.00 -1.09 -1.26 -0.13 121.20 120.11 3i49 s ILE 153 Ca 0.04 0.38 -0.12 0.00 -2.23 0.00 0.00 60.65 58.71 3i49 s ILE 153 Cb 0.05 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.27 3i49 s ILE 153 CO -0.09 0.21 0.24 0.12 -1.23 0.00 0.00 174.94 174.18 3i49 s PHE 154 N 1.85 3.37 -0.17 3.97 5.36 0.15 -1.57 117.98 130.95 3i49 s PHE 154 Ca 0.11 0.40 -0.12 0.00 -0.96 0.00 0.00 56.93 56.36 3i49 s PHE 154 Cb -0.16 -2.33 -0.05 0.00 -0.34 0.00 0.00 43.02 40.15 3i49 s PHE 154 CO 0.10 0.12 0.22 -0.65 -1.46 0.00 0.00 175.22 173.54 3i49 s GLN 155 N 0.90 4.19 -0.14 10.12 -0.21 0.19 -0.57 119.66 134.14 3i49 s GLN 155 Ca 0.12 -0.05 -0.01 0.00 0.02 0.00 0.00 55.36 55.44 3i49 s GLN 155 Cb -0.13 -3.41 0.04 0.00 1.00 0.00 0.00 33.01 30.50 3i49 s GLN 155 CO 0.04 0.29 -0.04 0.12 -2.12 0.00 0.00 175.29 173.59 3i49 s PHE 156 N 0.34 1.41 0.00 0.91 5.36 -0.13 -1.55 117.98 124.32 3i49 s PHE 156 Ca 0.13 -0.84 0.00 0.00 -0.96 0.00 0.00 56.93 55.26 3i49 s PHE 156 Cb -0.12 -1.18 0.00 0.00 -0.34 0.00 0.00 43.02 41.38 3i49 s PHE 156 CO 0.01 -0.55 0.00 0.41 -1.46 0.00 0.00 175.22 173.64 3i49 n GLY 157 N 4.95 1.69 0.00 13.12 0.00 0.49 -0.66 105.19 124.78 3i49 n GLY 157 Ca -0.11 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3i49 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i49 n GLY 158 N 5.00 6.13 0.17 -0.02 0.00 -1.26 -4.61 105.19 110.60 3i49 n GLY 158 Ca 0.00 -1.80 0.03 0.00 0.00 0.00 0.00 46.02 44.25 3i49 n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i49 h LEU 159 N 0.00 0.00 -9.52 0.99 3.38 -1.93 0.12 115.31 108.34 3i49 h LEU 159 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 3i49 h LEU 159 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 3i49 h LEU 159 CO 0.00 0.46 -0.49 -0.54 0.09 0.00 0.00 178.44 177.96 3i49 s LYS 160 N -3.71 3.61 0.50 1.13 1.02 -1.26 -4.81 119.74 116.22 3i49 s LYS 160 Ca -0.01 -0.17 0.36 0.00 0.02 0.00 0.00 55.97 56.17 3i49 s LYS 160 Cb 0.12 -3.23 1.50 0.00 -0.52 0.00 0.00 37.83 35.71 3i49 s LYS 160 CO 0.72 0.65 1.69 -0.09 -0.92 0.00 0.00 175.35 177.40 3i49 h ARG 161 N 5.43 0.08 -0.18 1.68 2.43 -1.99 0.66 114.38 122.49 3i49 h ARG 161 Ca -0.51 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3i49 h ARG 161 Cb 1.21 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3i49 h ARG 161 CO 0.62 0.05 0.00 0.09 -1.51 0.00 0.00 179.97 179.23 3i49 n ASN 162 N -4.32 2.95 -4.72 -3.80 3.02 -1.26 -5.00 115.26 102.14 3i49 n ASN 162 Ca 0.34 -1.93 -0.35 0.00 -0.03 0.00 0.00 54.58 52.60 3i49 n ASN 162 Cb 1.45 -0.11 0.10 0.00 -0.61 0.00 0.00 39.78 40.61 3i49 n ASN 162 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3i49 s ASP 163 N -1.77 4.12 0.46 6.41 -0.00 0.22 -4.93 116.67 121.19 3i49 s ASP 163 Ca 0.33 2.49 -0.23 0.00 -0.00 0.00 0.00 52.55 55.14 3i49 s ASP 163 Cb 0.21 -2.60 -0.09 0.00 -0.00 0.00 0.00 42.92 40.44 3i49 s ASP 163 CO 0.31 -2.32 1.01 -2.65 -0.00 0.00 0.00 175.17 171.52 3i49 n PRO 164 N -2.58 1.29 -4.51 8.23 -0.02 -1.26 -4.57 135.00 131.58 3i49 n PRO 164 Ca 0.15 0.47 -0.32 0.00 -2.02 0.00 0.00 63.50 61.77 3i49 n PRO 164 Cb 0.49 -2.10 -0.11 0.00 -0.02 0.00 0.00 33.50 31.77 3i49 n PRO 164 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i49 s LEU 165 N -0.92 3.11 -0.01 2.45 1.43 -1.26 -4.10 118.68 119.38 3i49 s LEU 165 Ca 0.66 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 3i49 s LEU 165 Cb -0.52 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 3i49 s LEU 165 CO 0.55 0.29 0.05 -0.54 0.23 0.00 0.00 176.35 176.93 3i49 s LYS 166 N -1.33 2.96 -0.20 1.70 1.02 0.17 -4.92 119.74 119.14 3i49 s LYS 166 Ca 0.16 -0.52 -0.01 0.00 0.02 0.00 0.00 55.97 55.62 3i49 s LYS 166 Cb -0.11 -2.79 0.01 0.00 -0.52 0.00 0.00 37.83 34.42 3i49 s LYS 166 CO 0.06 0.65 -0.12 1.03 -0.92 0.00 0.00 175.35 176.04 3i49 s ARG 167 N -1.59 3.14 -0.05 1.68 0.52 -1.26 -0.95 118.95 120.44 3i49 s ARG 167 Ca 0.21 -0.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.70 3i49 s ARG 167 Cb -0.12 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.57 3i49 s ARG 167 CO 0.11 -0.22 -0.15 -0.51 0.02 0.00 0.00 175.30 174.55 3i49 s LEU 168 N 1.37 1.84 0.08 2.53 1.43 0.27 -4.94 118.68 121.26 3i49 s LEU 168 Ca 0.05 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 3i49 s LEU 168 Cb -0.14 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 3i49 s LEU 168 CO -0.08 0.11 1.09 -0.22 0.23 0.00 0.00 176.35 177.48 3i49 s LEU 169 N 0.23 4.42 -0.19 1.79 2.96 -1.26 0.34 118.68 126.96 3i49 s LEU 169 Ca -0.07 1.91 -0.01 0.00 -0.22 0.00 0.00 54.13 55.74 3i49 s LEU 169 Cb -0.13 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.98 3i49 s LEU 169 CO 0.03 -0.30 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.88 3i49 s LEU 170 N 0.56 2.59 0.39 -0.68 1.43 0.81 -4.91 118.68 118.87 3i49 s LEU 170 Ca 0.53 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 53.23 3i49 s LEU 170 Cb -0.26 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3i49 s LEU 170 CO 0.30 0.02 0.22 -1.61 0.23 0.00 0.00 176.35 175.52 3i49 s GLU 171 N 1.23 2.36 -0.20 1.70 2.02 -1.26 -1.59 118.70 122.97 3i49 s GLU 171 Ca 0.03 -1.66 -0.39 0.00 0.02 0.00 0.00 54.97 52.96 3i49 s GLU 171 Cb -0.14 -2.16 -0.16 0.00 0.10 0.00 0.00 34.13 31.77 3i49 s GLU 171 CO -0.05 -0.06 1.66 1.58 0.02 0.00 0.00 175.26 178.41 3i49 n HIS 172 N -1.30 1.94 0.00 1.61 -0.00 -1.24 -1.13 115.22 115.11 3i49 n HIS 172 Ca -0.00 0.55 0.00 0.00 -0.00 0.00 0.00 57.72 58.26 3i49 n HIS 172 Cb 0.63 -2.44 0.00 0.00 -0.00 0.00 0.00 29.99 28.18 3i49 n HIS 172 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i49 n GLY 173 N 3.84 1.63 3.77 1.57 0.00 0.29 -4.63 105.19 111.66 3i49 n GLY 173 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 3i49 n GLY 173 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i49 s ASP 174 N -1.73 6.83 -0.12 1.61 -0.00 -0.28 -0.42 116.67 122.55 3i49 s ASP 174 Ca 0.00 2.60 0.01 0.00 -0.00 0.00 0.00 52.55 55.16 3i49 s ASP 174 Cb 0.00 -2.64 0.02 0.00 -0.00 0.00 0.00 42.92 40.30 3i49 s ASP 174 CO 0.00 -0.48 -0.14 -0.69 -0.00 0.00 0.00 175.17 173.86 3i49 s VAL 175 N -1.16 1.44 -0.14 -1.27 1.01 -0.58 -0.57 120.40 119.12 3i49 s VAL 175 Ca 0.49 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 3i49 s VAL 175 Cb -0.38 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3i49 s VAL 175 CO 0.50 0.43 -0.02 -0.69 0.00 0.00 0.00 175.10 175.33 3i49 s VAL 176 N 1.27 4.11 -0.06 2.92 1.01 0.43 0.23 120.40 130.31 3i49 s VAL 176 Ca -0.01 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3i49 s VAL 176 Cb -0.14 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.47 3i49 s VAL 176 CO -0.06 0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 174.76 3i49 s VAL 177 N -0.02 1.05 0.02 2.92 1.01 -0.29 -0.20 120.40 124.88 3i49 s VAL 177 Ca 0.02 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3i49 s VAL 177 Cb -0.13 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 3i49 s VAL 177 CO 0.02 0.34 -0.04 -1.66 0.00 0.00 0.00 175.10 173.76 3i49 s TRP 178 N 0.71 0.31 0.00 5.22 -2.14 -0.81 -0.82 118.94 121.41 3i49 s TRP 178 Ca -0.14 -0.33 0.00 0.00 2.66 0.00 0.00 56.10 58.29 3i49 s TRP 178 Cb -0.16 -0.21 0.00 0.00 -3.10 0.00 0.00 33.47 30.01 3i49 s TRP 178 CO 0.03 -0.10 0.00 0.41 -2.66 0.00 0.00 176.95 174.64 3i49 n GLY 179 N 2.11 0.70 7.00 3.67 0.00 -0.88 -0.68 105.19 117.11 3i49 n GLY 179 Ca -0.19 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3i49 n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i49 n GLY 180 N 0.00 3.82 0.25 -0.02 0.00 -1.26 -1.94 105.19 106.04 3i49 n GLY 180 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3i49 n GLY 180 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i49 h GLU 181 N 0.00 0.00 -0.48 1.61 4.81 -1.91 -2.65 114.58 115.96 3i49 h GLU 181 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i49 h GLU 181 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3i49 h GLU 181 CO 0.00 0.05 0.00 -1.13 -0.73 0.00 0.00 179.01 177.20 3i49 n SER 182 N -4.44 3.51 -0.32 1.04 3.41 -0.82 -4.60 113.62 111.41 3i49 n SER 182 Ca -0.03 -1.97 0.15 0.00 -0.26 0.00 0.00 58.87 56.76 3i49 n SER 182 Cb 0.13 -0.31 0.39 0.00 -0.26 0.00 0.00 64.21 64.16 3i49 n SER 182 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3i49 h ARG 183 N 4.08 0.62 -0.55 4.33 9.65 -1.42 -1.69 114.38 129.40 3i49 h ARG 183 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3i49 h ARG 183 Cb 0.94 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.38 3i49 h ARG 183 CO 0.00 0.41 0.00 1.28 2.80 0.00 0.00 179.97 184.46 3i49 n LEU 184 N -4.66 4.50 -4.76 3.80 4.77 -1.26 -4.70 117.00 114.69 3i49 n LEU 184 Ca 0.22 -2.52 -0.38 0.00 -0.03 0.00 0.00 56.01 53.30 3i49 n LEU 184 Cb 0.61 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3i49 n LEU 184 CO 0.25 0.77 0.92 -0.36 -1.33 0.00 0.00 177.39 177.64 3i49 s PHE 185 N -1.96 2.62 0.44 -1.77 2.99 -0.64 -4.67 117.98 114.99 3i49 s PHE 185 Ca 0.47 1.45 -0.23 0.00 0.00 0.00 0.00 56.93 58.61 3i49 s PHE 185 Cb 0.31 -3.60 -0.08 0.00 0.00 0.00 0.00 43.02 39.65 3i49 s PHE 185 CO 0.21 -2.18 1.14 0.71 -0.00 0.00 0.00 175.22 175.10 3i49 s TYR 186 N -1.40 3.00 0.19 0.36 2.02 0.43 -4.63 117.35 117.31 3i49 s TYR 186 Ca 0.66 1.56 -0.23 0.00 -0.37 0.00 0.00 57.07 58.69 3i49 s TYR 186 Cb -0.35 -3.32 0.05 0.00 -0.40 0.00 0.00 41.96 37.94 3i49 s TYR 186 CO 0.42 -1.27 0.70 -3.38 -1.57 0.00 0.00 175.55 170.46 3i49 s HIS 187 N -1.55 -0.36 0.11 2.71 -3.43 -0.04 -0.38 115.29 112.34 3i49 s HIS 187 Ca 0.61 0.06 -0.22 0.00 -0.80 0.00 0.00 55.06 54.71 3i49 s HIS 187 Cb -0.27 0.62 0.08 0.00 -1.43 0.00 0.00 32.58 31.57 3i49 s HIS 187 CO 0.34 -0.96 1.05 0.41 -2.00 0.00 0.00 174.74 173.58 3i49 n GLY 188 N -0.40 0.51 3.02 -1.38 0.00 -0.60 -0.82 105.19 105.52 3i49 n GLY 188 Ca -0.11 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 3i49 n GLY 188 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i49 s ILE 189 N -2.07 1.25 0.65 -0.61 -1.09 -0.09 -0.63 121.20 118.61 3i49 s ILE 189 Ca 0.24 -0.52 -0.12 0.00 -2.23 0.00 0.00 60.65 58.02 3i49 s ILE 189 Cb -0.02 -1.15 -0.01 0.00 -1.58 0.00 0.00 42.46 39.69 3i49 s ILE 189 CO 0.03 0.39 1.05 -1.10 -1.23 0.00 0.00 174.94 174.08 3i49 s GLN 190 N 0.88 3.13 -0.28 2.79 -0.21 -0.61 -1.48 119.66 123.89 3i49 s GLN 190 Ca -0.10 1.02 -0.42 0.00 0.02 0.00 0.00 55.36 55.87 3i49 s GLN 190 Cb -0.15 -2.01 -0.18 0.00 1.00 0.00 0.00 33.01 31.66 3i49 s GLN 190 CO 0.01 -0.95 1.54 -2.30 -2.12 0.00 0.00 175.29 171.47 3i49 n PRO 191 N -2.72 0.53 -1.82 2.91 -0.02 -1.26 -4.63 135.00 127.99 3i49 n PRO 191 Ca 0.08 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 3i49 n PRO 191 Cb 0.53 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 3i49 n PRO 191 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i49 s LEU 192 N 2.44 4.39 0.53 2.45 2.96 0.13 -4.77 118.68 126.79 3i49 s LEU 192 Ca 0.98 2.57 -0.20 0.00 -0.22 0.00 0.00 54.13 57.27 3i49 s LEU 192 Cb -1.26 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 41.82 3i49 s LEU 192 CO 0.69 -0.97 1.10 -0.54 -1.32 0.00 0.00 176.35 175.31 3i49 s LYS 193 N 3.30 3.49 0.63 1.98 1.02 -1.26 -0.11 119.74 128.79 3i49 s LYS 193 Ca 0.79 1.51 -0.18 0.00 0.02 0.00 0.00 55.97 58.12 3i49 s LYS 193 Cb -0.41 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 3i49 s LYS 193 CO 0.35 -0.72 1.21 0.00 -0.92 0.00 0.00 175.35 175.27 3i49 s ALA 194 N -1.87 2.44 0.00 5.17 0.00 -1.26 -4.78 121.76 121.46 3i49 s ALA 194 Ca 0.71 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.63 3i49 s ALA 194 Cb -0.21 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.46 3i49 s ALA 194 CO 0.25 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 175.08 3i49 n GLY 195 N 0.44 -1.56 2.94 0.00 0.00 -1.26 -5.10 105.19 100.65 3i49 n GLY 195 Ca 0.14 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 3i49 n GLY 195 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i49 s PHE 196 N -2.75 0.28 -0.03 1.61 5.36 -1.26 -4.70 117.98 116.49 3i49 s PHE 196 Ca 0.00 -0.19 0.01 0.00 -0.96 0.00 0.00 56.93 55.79 3i49 s PHE 196 Cb 0.00 -0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.52 3i49 s PHE 196 CO 0.00 -0.05 -0.03 -1.58 -1.46 0.00 0.00 175.22 172.10 3i49 s HIS 197 N -0.48 0.53 0.48 10.12 5.65 -0.72 -4.94 115.29 125.93 3i49 s HIS 197 Ca -0.04 -0.10 0.25 0.00 0.25 0.00 0.00 55.06 55.42 3i49 s HIS 197 Cb -0.04 -0.49 1.30 0.00 -1.18 0.00 0.00 32.58 32.17 3i49 s HIS 197 CO -0.00 -0.13 1.87 -1.35 -0.65 0.00 0.00 174.74 174.48 3i49 h PRO 198 N 6.96 0.18 0.00 2.88 0.11 -1.98 0.45 132.00 140.59 3i49 h PRO 198 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3i49 h PRO 198 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3i49 h PRO 198 CO 0.48 0.12 -1.64 1.28 -0.21 0.00 0.00 178.00 178.03 3i49 n LEU 199 N -4.39 0.35 0.00 2.35 4.77 -1.26 -4.53 117.00 114.28 3i49 n LEU 199 Ca 0.19 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3i49 n LEU 199 Cb 0.85 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 3i49 n LEU 199 CO 0.35 0.08 0.08 0.35 -1.33 0.00 0.00 177.39 176.92 3i49 n THR 200 N -2.01 0.00 0.00 -5.08 -2.24 -1.11 -5.02 114.28 98.82 3i49 n THR 200 Ca -0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3i49 n THR 200 Cb 0.49 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3i49 n THR 200 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3i49 n ILE 201 N -0.43 0.00 -0.08 2.28 2.08 0.16 -3.30 119.36 120.07 3i49 n ILE 201 Ca 0.00 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.32 3i49 n ILE 201 Cb 0.03 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 38.93 3i49 n ILE 201 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3i49 n ASP 202 N 3.70 2.02 -3.76 4.38 5.68 -1.26 -1.76 116.55 125.55 3i49 n ASP 202 Ca 0.00 -2.08 -0.19 0.00 -0.50 0.00 0.00 54.79 52.03 3i49 n ASP 202 Cb 0.00 -0.03 -0.09 0.00 -1.14 0.00 0.00 41.12 39.86 3i49 n ASP 202 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i49 s ARG 204 N -3.70 2.23 0.15 0.00 3.52 -0.65 -2.47 118.95 118.03 3i49 s ARG 204 Ca 0.37 -0.80 0.08 0.00 -0.13 0.00 0.00 55.73 55.26 3i49 s ARG 204 Cb 0.04 -1.93 -0.04 0.00 -1.56 0.00 0.00 34.95 31.46 3i49 s ARG 204 CO 0.21 0.35 -0.11 0.71 -0.81 0.00 0.00 175.30 175.64 3i49 s TYR 205 N -0.13 2.64 -0.01 5.12 1.51 0.68 0.07 117.35 127.23 3i49 s TYR 205 Ca -0.02 -0.21 -0.00 0.00 -1.01 0.00 0.00 57.07 55.82 3i49 s TYR 205 Cb -0.13 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.40 3i49 s TYR 205 CO 0.03 0.47 0.02 1.21 -1.11 0.00 0.00 175.55 176.16 3i49 s ASN 206 N -2.54 -0.01 -0.19 2.29 3.84 -0.17 -1.09 114.94 117.07 3i49 s ASN 206 Ca 0.23 0.03 -0.02 0.00 0.21 0.00 0.00 52.86 53.31 3i49 s ASN 206 Cb -0.10 0.02 -0.01 0.00 -0.55 0.00 0.00 41.25 40.62 3i49 s ASN 206 CO 0.14 -0.02 -0.08 -0.76 -2.79 0.00 0.00 177.10 173.58 3i49 s LEU 207 N 0.17 2.75 -0.30 3.21 1.43 -0.30 -0.36 118.68 125.28 3i49 s LEU 207 Ca -0.01 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3i49 s LEU 207 Cb -0.02 -1.68 0.07 0.00 0.03 0.00 0.00 46.19 44.59 3i49 s LEU 207 CO -0.00 0.02 -0.01 -0.89 0.23 0.00 0.00 176.35 175.70 3i49 s THR 208 N 1.20 2.68 -0.04 5.49 2.01 0.06 -0.47 115.64 126.58 3i49 s THR 208 Ca 0.02 -1.65 -0.18 0.00 0.31 0.00 0.00 61.69 60.18 3i49 s THR 208 Cb -0.14 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 3i49 s THR 208 CO -0.03 -0.21 0.51 -0.36 -0.69 0.00 0.00 174.62 173.85 3i49 s PHE 209 N 1.15 3.64 0.13 4.92 0.40 0.02 -0.88 117.98 127.36 3i49 s PHE 209 Ca -0.03 1.05 -0.07 0.00 -0.60 0.00 0.00 56.93 57.28 3i49 s PHE 209 Cb -0.20 -2.51 -0.01 0.00 0.51 0.00 0.00 43.02 40.80 3i49 s PHE 209 CO -0.03 0.36 0.20 1.03 0.70 0.00 0.00 175.22 177.47 3i49 s ARG 210 N -0.14 1.00 -0.48 0.44 0.52 -0.31 -2.49 118.95 117.48 3i49 s ARG 210 Ca 0.28 -1.17 -0.07 0.00 -0.52 0.00 0.00 55.73 54.24 3i49 s ARG 210 Cb -0.17 0.33 0.12 0.00 0.52 0.00 0.00 34.95 35.76 3i49 s ARG 210 CO 0.14 -0.33 0.34 -1.14 0.02 0.00 0.00 175.30 174.33 3i49 s GLN 211 N -3.95 2.42 0.18 3.54 0.74 -1.26 -1.45 119.66 119.87 3i49 s GLN 211 Ca 0.15 -1.87 0.21 0.00 0.05 0.00 0.00 55.36 53.89 3i49 s GLN 211 Cb 0.05 -3.85 -0.01 0.00 1.10 0.00 0.00 33.01 30.29 3i49 s GLN 211 CO -0.03 -1.17 1.03 0.00 -0.55 0.00 0.00 175.29 174.57 3i49 h ALA 212 N 8.21 0.57 -3.00 1.58 0.00 -1.92 -3.44 119.26 121.27 3i49 h ALA 212 Ca -0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3i49 h ALA 212 Cb 1.06 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3i49 h ALA 212 CO 0.81 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.73 3i49 n GLY 213 N 1.23 3.55 0.48 0.00 0.00 -1.26 -4.36 105.19 104.84 3i49 n GLY 213 Ca -0.02 -2.04 0.14 0.00 0.00 0.00 0.00 46.02 44.10 3i49 n GLY 213 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60