#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l2o s LEU 3 N 0.00 4.04 0.62 3.14 1.43 -1.26 -5.13 118.68 121.52 1l2o s LEU 3 Ca 0.00 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1l2o s LEU 3 Cb 0.00 -2.58 0.04 0.00 0.03 0.00 0.00 46.19 43.68 1l2o s LEU 3 CO 0.00 -0.05 0.89 -0.94 0.23 0.00 0.00 176.35 176.48 1l2o s SER 4 N -3.89 5.19 0.07 2.29 1.04 -1.26 -4.91 113.70 112.23 1l2o s SER 4 Ca 0.33 0.36 -0.31 0.00 0.48 0.00 0.00 55.95 56.81 1l2o s SER 4 Cb -0.08 -1.20 -0.15 0.00 0.10 0.00 0.00 66.02 64.69 1l2o s SER 4 CO 0.27 -1.28 1.48 -0.61 0.98 0.00 0.00 173.24 174.07 1l2o h GLN 5 N -0.24 -0.87 -0.89 4.02 5.75 -2.00 -1.15 115.11 119.74 1l2o h GLN 5 Ca -0.44 0.06 0.16 0.00 -0.15 0.00 0.00 58.65 58.27 1l2o h GLN 5 Cb 1.29 0.20 -0.07 0.00 1.07 0.00 0.00 27.48 29.97 1l2o h GLN 5 CO 0.58 -0.58 0.57 -0.44 -2.65 0.00 0.00 178.83 176.31 1l2o h ASP 6 N -0.90 0.60 -0.30 -0.69 3.32 -1.96 0.95 116.42 117.45 1l2o h ASP 6 Ca -0.06 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.07 1l2o h ASP 6 Cb 0.77 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1l2o h ASP 6 CO -0.03 0.29 0.09 -0.08 -1.72 0.00 0.00 179.24 177.79 1l2o h GLU 7 N 0.63 0.22 0.00 3.56 4.81 -1.84 1.78 114.58 123.73 1l2o h GLU 7 Ca 0.45 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1l2o h GLU 7 Cb 0.81 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1l2o h GLU 7 CO -0.21 0.14 -0.01 0.82 -0.73 0.00 0.00 179.01 179.03 1l2o h ILE 8 N 0.22 0.06 0.11 2.32 2.04 0.19 -0.08 117.51 122.38 1l2o h ILE 8 Ca 0.14 -0.20 -0.27 0.00 1.00 0.00 0.00 64.86 65.53 1l2o h ILE 8 Cb 0.12 1.19 0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1l2o h ILE 8 CO -0.15 0.01 -1.19 0.44 0.00 0.00 0.00 178.15 177.26 1l2o h ASP 9 N 0.00 0.47 0.67 1.72 3.45 0.57 0.12 116.42 123.43 1l2o h ASP 9 Ca -0.00 -0.48 -0.07 0.00 0.43 0.00 0.00 57.03 56.91 1l2o h ASP 9 Cb 0.19 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 1l2o h ASP 9 CO 0.00 1.35 -0.34 0.44 -1.57 0.00 0.00 179.24 179.12 1l2o h ASP 10 N 0.11 0.00 0.39 6.45 3.32 0.40 0.72 116.42 127.81 1l2o h ASP 10 Ca -0.13 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.60 1l2o h ASP 10 Cb 1.90 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.46 1l2o h ASP 10 CO 0.20 0.34 -1.48 0.25 -1.72 0.00 0.00 179.24 176.83 1l2o h LEU 11 N 0.00 0.60 -0.10 1.55 5.85 -1.27 -2.40 115.31 119.53 1l2o h LEU 11 Ca -0.00 -0.71 -0.00 0.00 0.84 0.00 0.00 57.88 58.00 1l2o h LEU 11 Cb 0.76 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1l2o h LEU 11 CO 0.04 1.57 0.05 0.11 -0.34 0.00 0.00 178.44 179.88 1l2o h LYS 12 N 0.10 0.15 0.47 1.25 1.57 -0.01 0.70 116.57 120.80 1l2o h LYS 12 Ca -0.24 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1l2o h LYS 12 Cb 2.08 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.36 1l2o h LYS 12 CO 0.22 0.20 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.61 1l2o h ASP 13 N 0.06 -0.59 -0.17 0.86 5.19 0.36 -2.93 116.42 119.20 1l2o h ASP 13 Ca 0.04 0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.50 1l2o h ASP 13 Cb 0.10 0.16 -0.06 0.00 0.18 0.00 0.00 39.33 39.71 1l2o h ASP 13 CO -0.01 -0.40 -0.44 0.58 -3.12 0.00 0.00 179.24 175.85 1l2o h VAL 14 N -0.65 0.00 -0.97 -1.35 2.07 -1.42 -1.67 116.25 112.26 1l2o h VAL 14 Ca -0.06 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.78 1l2o h VAL 14 Cb 0.51 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.10 1l2o h VAL 14 CO 0.09 0.00 0.23 0.33 0.02 0.00 0.00 177.57 178.24 1l2o n PHE 15 N -4.87 0.83 0.62 1.57 -0.00 0.23 0.64 117.46 116.48 1l2o n PHE 15 Ca -0.04 1.16 0.00 0.00 -0.00 0.00 0.00 57.45 58.56 1l2o n PHE 15 Cb 0.30 -1.36 0.00 0.00 -0.00 0.00 0.00 39.48 38.42 1l2o n PHE 15 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1l2o n GLU 16 N -5.33 0.62 0.00 -4.13 1.02 -0.63 -1.78 120.64 110.41 1l2o n GLU 16 Ca 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1l2o n GLU 16 Cb 0.95 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 1l2o n GLU 16 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1l2o n LEU 17 N 0.50 0.79 0.12 -4.62 7.94 0.21 -4.47 117.00 117.47 1l2o n LEU 17 Ca 0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 1l2o n LEU 17 Cb 0.25 0.00 0.47 0.00 0.53 0.00 0.00 43.42 44.67 1l2o n LEU 17 CO 0.00 0.03 0.86 0.49 -1.11 0.00 0.00 177.39 177.66 1l2o n PHE 18 N -2.55 0.81 -0.05 1.96 3.01 -0.97 -1.65 117.46 118.03 1l2o n PHE 18 Ca 0.00 0.29 -0.14 0.00 1.01 0.00 0.00 57.45 58.61 1l2o n PHE 18 Cb 0.32 -0.97 -0.13 0.00 -0.01 0.00 0.00 39.48 38.69 1l2o n PHE 18 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1l2o h ASP 19 N 0.00 0.04 -0.59 4.37 3.58 -1.54 -3.32 116.42 118.96 1l2o h ASP 19 Ca 0.00 -0.91 0.10 0.00 0.42 0.00 0.00 57.03 56.64 1l2o h ASP 19 Cb 0.46 -0.01 -0.11 0.00 1.72 0.00 0.00 39.33 41.38 1l2o h ASP 19 CO 0.00 0.95 -0.36 0.15 -2.88 0.00 0.00 179.24 177.10 1l2o h PHE 20 N -0.86 -1.00 0.00 0.28 3.04 -1.62 -1.88 116.94 114.90 1l2o h PHE 20 Ca -0.01 0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1l2o h PHE 20 Cb 0.97 0.53 0.00 0.00 2.56 0.00 0.00 35.95 40.00 1l2o h PHE 20 CO 0.24 -0.39 0.08 0.91 -2.02 0.00 0.00 178.31 177.13 1l2o n TRP 21 N -5.43 0.51 0.08 0.41 7.02 -0.66 -0.51 117.44 118.86 1l2o n TRP 21 Ca 0.04 0.26 0.01 0.00 -1.02 0.00 0.00 57.50 56.79 1l2o n TRP 21 Cb 0.36 -0.86 -0.00 0.00 -2.42 0.00 0.00 31.31 28.38 1l2o n TRP 21 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1l2o n ASP 22 N -2.03 0.56 0.00 -0.99 5.68 -1.02 -5.04 116.55 113.71 1l2o n ASP 22 Ca -0.01 -0.78 0.00 0.00 -0.50 0.00 0.00 54.79 53.50 1l2o n ASP 22 Cb 0.10 0.56 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 1l2o n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1l2o n GLY 23 N 0.63 3.86 3.58 6.12 0.00 0.33 -5.00 105.19 114.71 1l2o n GLY 23 Ca 0.01 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 1l2o n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1l2o s ARG 24 N -4.12 2.98 0.00 1.61 3.52 -1.22 -4.23 118.95 117.49 1l2o s ARG 24 Ca 0.00 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.70 1l2o s ARG 24 Cb 0.00 -4.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.09 1l2o s ARG 24 CO 0.00 -2.29 0.21 -0.40 -0.81 0.00 0.00 175.30 172.01 1l2o n ASP 25 N 11.61 0.00 0.00 -2.12 3.85 -1.26 -5.00 116.55 123.63 1l2o n ASP 25 Ca 0.23 -1.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.31 1l2o n ASP 25 Cb 0.49 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.26 1l2o n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1l2o n GLY 26 N 0.00 0.54 3.23 6.12 0.00 -1.26 -5.04 105.19 108.78 1l2o n GLY 26 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 1l2o n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l2o s ALA 27 N -2.00 0.40 -0.05 4.61 0.00 -1.26 -4.40 121.76 119.06 1l2o s ALA 27 Ca 0.00 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.85 1l2o s ALA 27 Cb 0.00 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1l2o s ALA 27 CO 0.00 -0.55 -0.15 0.08 0.00 0.00 0.00 175.76 175.14 1l2o s VAL 28 N -4.00 1.25 0.18 0.00 1.01 0.36 -4.33 120.40 114.87 1l2o s VAL 28 Ca 0.19 -0.60 -0.33 0.00 0.00 0.00 0.00 61.98 61.24 1l2o s VAL 28 Cb 0.05 -1.10 -0.13 0.00 0.00 0.00 0.00 36.38 35.21 1l2o s VAL 28 CO -0.00 0.37 1.69 -0.67 0.00 0.00 0.00 175.10 176.49 1l2o n ASP 29 N 3.32 3.69 -0.27 3.32 4.64 -1.26 0.30 116.55 130.29 1l2o n ASP 29 Ca -0.19 1.06 0.22 0.00 -1.38 0.00 0.00 54.79 54.50 1l2o n ASP 29 Cb 0.53 -1.52 0.54 0.00 -1.04 0.00 0.00 41.12 39.63 1l2o n ASP 29 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1l2o h ALA 30 N 6.72 2.31 -0.94 -1.67 0.00 -0.20 0.19 119.26 125.68 1l2o h ALA 30 Ca -0.44 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.56 1l2o h ALA 30 Cb 1.22 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1l2o h ALA 30 CO 0.93 -0.64 0.59 0.35 0.00 0.00 0.00 179.25 180.48 1l2o h PHE 31 N 0.35 1.10 0.00 0.00 3.57 -1.80 -1.35 116.94 118.80 1l2o h PHE 31 Ca 0.52 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.05 1l2o h PHE 31 Cb 1.39 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1l2o h PHE 31 CO -0.00 0.55 -0.25 1.63 -2.23 0.00 0.00 178.31 178.00 1l2o n LYS 32 N -4.57 0.03 -0.33 1.11 4.76 0.62 -4.32 118.16 115.46 1l2o n LYS 32 Ca 0.14 0.02 0.02 0.00 -2.87 0.00 0.00 58.31 55.63 1l2o n LYS 32 Cb 0.20 -1.53 0.09 0.00 -1.84 0.00 0.00 35.03 31.96 1l2o n LYS 32 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1l2o h LEU 33 N 0.00 -1.03 0.10 -0.35 6.46 -0.74 -0.33 115.31 119.43 1l2o h LEU 33 Ca 0.00 0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1l2o h LEU 33 Cb 0.53 0.62 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 1l2o h LEU 33 CO 0.00 -0.30 -0.05 1.23 -0.62 0.00 0.00 178.44 178.70 1l2o h GLY 34 N -0.01 -0.14 0.31 3.75 0.00 -1.76 -3.00 103.07 102.20 1l2o h GLY 34 Ca 0.40 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1l2o h GLY 34 CO -0.94 -0.05 0.65 -1.80 0.00 0.00 0.00 176.54 174.40 1l2o h ASP 35 N -0.81 0.00 0.67 0.19 3.58 -1.54 2.46 116.42 120.98 1l2o h ASP 35 Ca -0.01 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.23 1l2o h ASP 35 Cb 0.57 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.59 1l2o h ASP 35 CO 0.02 0.00 -1.46 0.58 -2.88 0.00 0.00 179.24 175.50 1l2o h VAL 36 N 0.00 0.64 0.00 2.25 2.07 -0.95 -3.35 116.25 116.91 1l2o h VAL 36 Ca 0.00 -2.24 -0.03 0.00 0.82 0.00 0.00 66.70 65.25 1l2o h VAL 36 Cb 1.31 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 33.25 1l2o h VAL 36 CO 0.00 0.36 -0.13 0.00 0.02 0.00 0.00 177.57 177.82 1l2o h ARG 38 N 0.00 0.00 0.00 0.00 0.11 -1.67 -1.90 114.38 110.92 1l2o h ARG 38 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1l2o h ARG 38 Cb 0.93 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.01 1l2o h ARG 38 CO 0.02 0.07 0.00 0.00 0.10 0.00 0.00 179.97 180.15 1l2o n LEU 40 N -0.51 1.75 -2.90 0.00 4.77 -0.72 -4.99 117.00 114.39 1l2o n LEU 40 Ca 0.01 -2.79 -0.19 0.00 -0.03 0.00 0.00 56.01 53.01 1l2o n LEU 40 Cb 0.00 -0.27 0.06 0.00 -2.33 0.00 0.00 43.42 40.88 1l2o n LEU 40 CO 0.00 0.86 0.18 0.61 -1.33 0.00 0.00 177.39 177.72 1l2o n GLY 41 N -0.46 -0.23 3.79 -0.72 0.00 -1.00 -5.03 105.19 101.53 1l2o n GLY 41 Ca 0.12 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1l2o n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1l2o s ILE 42 N -3.23 1.14 -0.37 -0.61 1.01 -1.22 -5.05 121.20 112.87 1l2o s ILE 42 Ca 0.45 -1.94 0.12 0.00 0.00 0.00 0.00 60.65 59.27 1l2o s ILE 42 Cb -0.20 -2.08 0.41 0.00 0.01 0.00 0.00 42.46 40.60 1l2o s ILE 42 CO 0.55 0.00 1.35 0.59 0.00 0.00 0.00 174.94 177.43 1l2o n ASN 43 N -1.35 -1.18 -4.67 3.58 3.02 -1.26 -4.54 115.26 108.86 1l2o n ASN 43 Ca -0.18 -2.40 -0.42 0.00 -0.03 0.00 0.00 54.58 51.54 1l2o n ASN 43 Cb 0.67 0.66 -0.03 0.00 -0.61 0.00 0.00 39.78 40.46 1l2o n ASN 43 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1l2o s PRO 44 N -0.45 4.14 0.94 3.52 0.04 -1.26 -4.94 135.00 136.98 1l2o s PRO 44 Ca 0.19 2.60 -0.11 0.00 0.04 0.00 0.00 61.00 63.72 1l2o s PRO 44 Cb 0.42 -3.92 0.09 0.00 0.04 0.00 0.00 34.50 31.13 1l2o s PRO 44 CO -0.08 -0.91 0.76 2.89 0.04 0.00 0.00 177.00 179.70 1l2o n ARG 45 N 6.76 -0.41 -0.14 4.56 0.00 -1.26 -4.64 116.66 121.53 1l2o n ARG 45 Ca 0.19 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.85 57.93 1l2o n ARG 45 Cb 0.40 -2.11 0.05 0.00 -0.00 0.00 0.00 32.46 30.80 1l2o n ARG 45 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1l2o h ASN 46 N -1.74 0.13 -0.89 2.89 2.35 -1.99 -0.35 115.58 115.98 1l2o h ASN 46 Ca -0.43 0.06 0.25 0.00 -0.55 0.00 0.00 56.30 55.62 1l2o h ASN 46 Cb 1.28 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.66 1l2o h ASN 46 CO 0.38 0.11 0.63 -0.08 -1.65 0.00 0.00 177.43 176.81 1l2o h GLU 47 N 0.31 0.05 0.31 0.81 4.57 -1.99 -1.52 114.58 117.11 1l2o h GLU 47 Ca 0.21 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1l2o h GLU 47 Cb 0.23 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1l2o h GLU 47 CO -0.23 0.04 -0.15 -0.44 -1.18 0.00 0.00 179.01 177.04 1l2o h ASP 48 N 0.05 -0.35 -0.63 1.04 3.32 -1.39 -2.36 116.42 116.10 1l2o h ASP 48 Ca 0.43 -0.08 0.13 0.00 0.02 0.00 0.00 57.03 57.53 1l2o h ASP 48 Cb 1.62 0.09 -0.11 0.00 0.22 0.00 0.00 39.33 41.15 1l2o h ASP 48 CO -0.03 0.12 -0.02 -0.37 -1.72 0.00 0.00 179.24 177.22 1l2o h VAL 49 N -1.06 0.46 0.00 -1.35 -1.51 -0.86 0.43 116.25 112.36 1l2o h VAL 49 Ca -0.04 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.36 1l2o h VAL 49 Cb 0.41 0.35 -0.01 0.00 -2.13 0.00 0.00 31.29 29.92 1l2o h VAL 49 CO 0.07 0.02 -0.17 -0.26 -1.23 0.00 0.00 177.57 176.00 1l2o h PHE 50 N 0.10 0.00 0.00 5.19 0.05 -1.41 0.43 116.94 121.30 1l2o h PHE 50 Ca 0.33 0.00 -0.07 0.00 3.82 0.00 0.00 57.97 62.05 1l2o h PHE 50 Cb 0.53 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.47 1l2o h PHE 50 CO -0.39 0.17 -0.33 0.00 -0.18 0.00 0.00 178.31 177.58 1l2o h ALA 51 N 1.83 1.44 0.00 2.45 0.00 0.41 -3.15 119.26 122.24 1l2o h ALA 51 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1l2o h ALA 51 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1l2o h ALA 51 CO 0.02 0.42 -1.75 1.33 0.00 0.00 0.00 179.25 179.27 1l2o n VAL 52 N -4.12 0.61 0.00 0.00 0.24 -0.85 -4.91 118.33 109.30 1l2o n VAL 52 Ca -0.02 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1l2o n VAL 52 Cb 0.38 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 1l2o n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1l2o n GLY 53 N 1.36 -0.21 3.32 7.63 0.00 -0.88 -4.94 105.19 111.46 1l2o n GLY 53 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1l2o n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l2o n GLY 54 N 0.00 -2.60 3.16 -0.02 0.00 0.15 -4.84 105.19 101.03 1l2o n GLY 54 Ca 0.00 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 1l2o n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1l2o s THR 55 N -2.26 0.10 -0.14 2.61 -1.32 -1.22 -4.73 115.64 108.69 1l2o s THR 55 Ca 0.62 -0.85 0.19 0.00 -1.21 0.00 0.00 61.69 60.44 1l2o s THR 55 Cb -0.17 -0.78 -0.15 0.00 -1.51 0.00 0.00 72.50 69.88 1l2o s THR 55 CO 0.61 -0.47 0.73 1.41 -2.21 0.00 0.00 174.62 174.69 1l2o n HIS 56 N 0.91 0.70 -5.12 9.09 -0.00 -1.26 -4.37 115.22 115.17 1l2o n HIS 56 Ca -0.20 0.22 -0.30 0.00 -0.00 0.00 0.00 57.72 57.44 1l2o n HIS 56 Cb 0.58 -0.95 -0.17 0.00 -0.00 0.00 0.00 29.99 29.45 1l2o n HIS 56 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1l2o s LYS 57 N -3.08 2.59 -0.14 -0.41 3.01 -1.26 -5.05 119.74 115.41 1l2o s LYS 57 Ca -0.04 -0.81 -0.29 0.00 -1.01 0.00 0.00 55.97 53.82 1l2o s LYS 57 Cb 0.09 -2.07 -0.05 0.00 -1.01 0.00 0.00 37.83 34.80 1l2o s LYS 57 CO 0.83 0.24 1.83 1.41 0.51 0.00 0.00 175.35 180.16 1l2o s MET 58 N 0.17 3.79 0.00 1.68 1.75 -1.26 -3.72 119.30 121.71 1l2o s MET 58 Ca -0.12 2.02 0.00 0.00 -1.25 0.00 0.00 55.69 56.35 1l2o s MET 58 Cb -0.16 -4.13 0.00 0.00 2.84 0.00 0.00 34.83 33.39 1l2o s MET 58 CO 0.06 -1.33 0.00 0.41 -0.65 0.00 0.00 175.02 173.51 1l2o n GLY 59 N 4.80 0.75 0.00 2.11 0.00 -1.26 -5.06 105.19 106.53 1l2o n GLY 59 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1l2o n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l2o n GLU 60 N 0.00 1.33 -3.74 1.61 1.02 -1.24 -5.08 120.64 114.55 1l2o n GLU 60 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1l2o n GLU 60 Cb 0.00 -0.91 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 1l2o n GLU 60 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1l2o s LYS 61 N -1.82 0.51 -0.04 3.49 1.02 -1.26 -5.06 119.74 116.59 1l2o s LYS 61 Ca 0.00 0.41 0.04 0.00 0.02 0.00 0.00 55.97 56.44 1l2o s LYS 61 Cb 0.00 0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.53 1l2o s LYS 61 CO 0.00 -0.09 -0.15 -1.12 -0.92 0.00 0.00 175.35 173.07 1l2o s SER 62 N -0.10 3.95 -0.08 2.83 0.01 -1.26 0.58 113.70 119.62 1l2o s SER 62 Ca -0.03 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.03 1l2o s SER 62 Cb -0.03 -0.79 0.01 0.00 0.21 0.00 0.00 66.02 65.41 1l2o s SER 62 CO 0.01 0.33 -0.18 -0.76 0.41 0.00 0.00 173.24 173.06 1l2o s LEU 63 N -0.82 1.88 0.65 2.44 1.43 0.15 -4.82 118.68 119.58 1l2o s LEU 63 Ca 0.12 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.70 1l2o s LEU 63 Cb -0.11 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 45.00 1l2o s LEU 63 CO 0.01 0.10 1.00 -2.16 0.23 0.00 0.00 176.35 175.54 1l2o s PRO 64 N 0.48 2.91 0.01 1.29 0.04 -1.26 -0.49 135.00 137.97 1l2o s PRO 64 Ca -0.16 0.25 -0.04 0.00 0.04 0.00 0.00 61.00 61.09 1l2o s PRO 64 Cb -0.17 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 1l2o s PRO 64 CO 0.06 -0.86 1.06 0.35 0.04 0.00 0.00 177.00 177.65 1l2o h PHE 65 N -0.42 -0.16 -0.80 0.56 3.57 -1.99 -0.63 116.94 117.06 1l2o h PHE 65 Ca -0.45 0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.37 1l2o h PHE 65 Cb 1.25 0.07 -0.13 0.00 2.79 0.00 0.00 35.95 39.93 1l2o h PHE 65 CO 0.49 -0.07 0.45 -0.85 -2.23 0.00 0.00 178.31 176.11 1l2o n GLU 66 N -2.70 -0.04 -0.03 1.11 0.00 -1.26 0.23 120.64 117.94 1l2o n GLU 66 Ca -0.01 1.00 -0.14 0.00 0.00 0.00 0.00 57.16 58.01 1l2o n GLU 66 Cb 0.05 -1.83 -0.11 0.00 0.00 0.00 0.00 31.44 29.55 1l2o n GLU 66 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1l2o h GLU 67 N 0.00 0.07 -0.06 3.44 4.39 -1.86 -3.37 114.58 117.19 1l2o h GLU 67 Ca 0.63 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 60.28 1l2o h GLU 67 Cb 1.76 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.41 1l2o h GLU 67 CO -0.52 0.73 -0.05 0.35 -1.16 0.00 0.00 179.01 178.36 1l2o h PHE 68 N -0.57 -0.16 -0.44 4.33 3.57 0.45 -3.02 116.94 121.10 1l2o h PHE 68 Ca -0.00 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1l2o h PHE 68 Cb 0.74 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 1l2o h PHE 68 CO 0.16 -0.04 -0.26 -0.11 -2.23 0.00 0.00 178.31 175.83 1l2o n LEU 69 N -3.04 -0.46 -0.21 0.59 0.00 -0.90 0.93 117.00 113.91 1l2o n LEU 69 Ca -0.00 0.82 0.01 0.00 0.00 0.00 0.00 56.01 56.84 1l2o n LEU 69 Cb 0.03 -0.12 0.12 0.00 0.00 0.00 0.00 43.42 43.45 1l2o n LEU 69 CO -0.01 -0.66 0.95 -0.65 0.00 0.00 0.00 177.39 177.03 1l2o h PRO 70 N 0.00 0.31 -0.56 1.96 0.11 -1.70 0.49 132.00 132.62 1l2o h PRO 70 Ca 0.07 -0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.32 1l2o h PRO 70 Cb 0.18 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1l2o h PRO 70 CO -0.41 0.21 0.41 0.00 -0.21 0.00 0.00 178.00 177.99 1l2o h ALA 71 N 1.47 2.52 0.40 -0.75 0.00 0.53 -1.62 119.26 121.81 1l2o h ALA 71 Ca 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1l2o h ALA 71 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1l2o h ALA 71 CO -0.38 -0.70 -0.19 -0.92 0.00 0.00 0.00 179.25 177.06 1l2o h TYR 72 N 0.00 -0.49 -1.48 0.00 3.20 -0.32 -2.32 116.97 115.56 1l2o h TYR 72 Ca 0.27 -0.01 0.43 0.00 3.14 0.00 0.00 58.73 62.56 1l2o h TYR 72 Cb 1.08 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 39.45 1l2o h TYR 72 CO 0.00 -0.26 1.06 1.05 -1.64 0.00 0.00 178.16 178.36 1l2o h GLU 73 N -1.11 0.02 0.00 1.82 -0.00 -0.73 0.30 114.58 114.88 1l2o h GLU 73 Ca -0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.30 1l2o h GLU 73 Cb 0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.19 1l2o h GLU 73 CO 0.09 0.02 0.00 0.41 -0.00 0.00 0.00 179.01 179.52 1l2o n GLY 74 N -1.80 -2.29 0.00 1.06 0.00 -0.68 -2.69 105.19 98.80 1l2o n GLY 74 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1l2o n GLY 74 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1l2o n LEU 75 N -1.90 0.00 -0.08 0.99 -0.00 0.10 -2.69 117.00 113.42 1l2o n LEU 75 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 1l2o n LEU 75 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1l2o n LEU 75 CO 0.00 0.00 -0.54 0.23 -0.00 0.00 0.00 177.39 177.08 1l2o n MET 76 N -0.48 0.50 0.07 1.47 2.81 -0.92 -4.37 117.12 116.20 1l2o n MET 76 Ca 0.00 0.43 0.03 0.00 -1.81 0.00 0.00 57.70 56.35 1l2o n MET 76 Cb 0.00 -1.62 0.17 0.00 -0.71 0.00 0.00 33.22 31.06 1l2o n MET 76 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1l2o n ASP 77 N -4.53 0.16 -4.77 7.83 9.92 -1.09 -4.65 116.55 119.42 1l2o n ASP 77 Ca -0.16 0.43 -0.37 0.00 -0.53 0.00 0.00 54.79 54.17 1l2o n ASP 77 Cb 0.43 -0.41 -0.02 0.00 -0.64 0.00 0.00 41.12 40.48 1l2o n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1l2o s GLU 79 N -2.57 4.12 0.11 0.00 2.12 -1.26 -5.04 118.70 116.18 1l2o s GLU 79 Ca 0.61 2.57 0.08 0.00 0.36 0.00 0.00 54.97 58.59 1l2o s GLU 79 Cb -0.27 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 1l2o s GLU 79 CO 0.33 -0.60 -0.14 1.14 -0.54 0.00 0.00 175.26 175.46 1l2o s GLN 80 N -1.01 1.99 0.32 4.30 1.03 -1.26 -4.90 119.66 120.13 1l2o s GLN 80 Ca 0.60 -1.08 -0.25 0.00 0.04 0.00 0.00 55.36 54.66 1l2o s GLN 80 Cb -0.47 -2.22 -0.10 0.00 0.03 0.00 0.00 33.01 30.24 1l2o s GLN 80 CO 0.53 0.50 0.92 0.20 -2.54 0.00 0.00 175.29 174.90 1l2o s GLY 81 N -2.15 2.75 -0.02 2.60 0.00 -1.26 -5.06 107.32 104.18 1l2o s GLY 81 Ca 0.20 0.48 0.04 0.00 0.00 0.00 0.00 44.72 45.43 1l2o s GLY 81 CO 0.12 0.90 -0.11 -0.51 0.00 0.00 0.00 173.10 173.50 1l2o s THR 82 N -1.66 3.34 0.08 0.90 -4.23 -1.26 -5.01 115.64 107.81 1l2o s THR 82 Ca 0.51 -0.77 -0.13 0.00 -1.18 0.00 0.00 61.69 60.12 1l2o s THR 82 Cb -0.18 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.28 1l2o s THR 82 CO 0.23 0.48 0.71 0.33 -0.54 0.00 0.00 174.62 175.82 1l2o n PHE 83 N 1.90 -0.14 -0.03 3.99 7.35 -1.26 -0.32 117.46 128.95 1l2o n PHE 83 Ca -0.16 0.57 -0.12 0.00 -0.76 0.00 0.00 57.45 56.98 1l2o n PHE 83 Cb 0.52 -0.57 -0.08 0.00 0.35 0.00 0.00 39.48 39.70 1l2o n PHE 83 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1l2o h ALA 84 N 0.34 -0.78 -0.20 3.13 0.00 -1.97 0.35 119.26 120.12 1l2o h ALA 84 Ca 0.10 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1l2o h ALA 84 Cb 0.21 0.95 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1l2o h ALA 84 CO -0.44 -0.95 -0.12 -0.25 0.00 0.00 0.00 179.25 177.49 1l2o n ASP 85 N -4.86 -0.22 -0.24 0.00 8.00 0.56 0.20 116.55 119.99 1l2o n ASP 85 Ca -0.04 1.09 -0.01 0.00 0.71 0.00 0.00 54.79 56.53 1l2o n ASP 85 Cb 0.30 -0.41 0.06 0.00 -0.02 0.00 0.00 41.12 41.05 1l2o n ASP 85 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1l2o h TYR 86 N 0.00 -0.56 -0.48 1.24 0.05 -1.12 0.33 116.97 116.44 1l2o h TYR 86 Ca 0.03 0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1l2o h TYR 86 Cb 0.08 0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 1l2o h TYR 86 CO -0.89 -0.34 0.31 0.52 -1.05 0.00 0.00 178.16 176.72 1l2o h MET 87 N -0.05 0.63 0.00 4.88 2.86 0.34 0.10 114.93 123.70 1l2o h MET 87 Ca 0.32 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1l2o h MET 87 Cb 0.54 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1l2o h MET 87 CO -0.74 0.42 0.00 0.39 1.06 0.00 0.00 176.91 178.04 1l2o n GLU 88 N -4.75 0.11 -0.09 1.72 -0.58 0.52 0.44 120.64 118.01 1l2o n GLU 88 Ca 0.02 0.33 -0.13 0.00 -0.42 0.00 0.00 57.16 56.96 1l2o n GLU 88 Cb 0.02 -1.70 -0.06 0.00 -0.57 0.00 0.00 31.44 29.13 1l2o n GLU 88 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1l2o h ALA 89 N 2.40 0.13 -0.97 0.62 0.00 0.31 -3.33 119.26 118.42 1l2o h ALA 89 Ca 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 54.91 54.13 1l2o h ALA 89 Cb 0.34 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1l2o h ALA 89 CO 0.00 0.57 0.63 0.74 0.00 0.00 0.00 179.25 181.19 1l2o h PHE 90 N -1.00 1.17 -0.72 0.00 0.04 -0.69 0.17 116.94 115.91 1l2o h PHE 90 Ca -0.16 0.03 0.21 0.00 2.80 0.00 0.00 57.97 60.84 1l2o h PHE 90 Cb 0.88 -0.39 -0.03 0.00 2.20 0.00 0.00 35.95 38.61 1l2o h PHE 90 CO -0.05 0.65 0.53 -0.22 -0.60 0.00 0.00 178.31 178.61 1l2o h LYS 91 N 1.18 0.00 -0.67 1.51 3.64 -0.18 0.14 116.57 122.19 1l2o h LYS 91 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1l2o h LYS 91 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1l2o h LYS 91 CO -0.14 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.29 1l2o n THR 92 N -4.29 0.00 -0.28 1.00 -2.24 0.59 -1.55 114.28 107.52 1l2o n THR 92 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1l2o n THR 92 Cb 0.80 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1l2o n THR 92 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1l2o n PHE 93 N 0.09 0.00 -3.25 4.78 3.01 0.47 -4.99 117.46 117.56 1l2o n PHE 93 Ca 0.00 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.00 1l2o n PHE 93 Cb 0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.61 1l2o n PHE 93 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1l2o s ASP 94 N -0.13 6.52 -0.06 4.37 2.15 -0.60 -4.92 116.67 124.00 1l2o s ASP 94 Ca 0.00 -2.21 -0.12 0.00 0.43 0.00 0.00 52.55 50.65 1l2o s ASP 94 Cb 0.00 -2.24 -0.07 0.00 -0.30 0.00 0.00 42.92 40.30 1l2o s ASP 94 CO 0.00 -0.77 0.46 0.03 -0.17 0.00 0.00 175.17 174.72 1l2o h ARG 95 N 8.38 -0.29 -1.51 4.34 3.08 -1.90 -3.26 114.38 123.22 1l2o h ARG 95 Ca -0.05 0.02 0.48 0.00 0.07 0.00 0.00 59.98 60.50 1l2o h ARG 95 Cb 1.06 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 31.06 1l2o h ARG 95 CO 0.91 -0.10 1.02 0.93 -1.07 0.00 0.00 179.97 181.67 1l2o h GLU 96 N -1.05 0.04 0.00 0.04 4.39 -1.92 -3.44 114.58 112.64 1l2o h GLU 96 Ca -0.03 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1l2o h GLU 96 Cb 0.32 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1l2o h GLU 96 CO 0.05 0.03 0.00 0.41 -1.16 0.00 0.00 179.01 178.34 1l2o n GLY 97 N -1.65 2.99 0.33 -3.84 0.00 -1.23 -4.84 105.19 96.95 1l2o n GLY 97 Ca 0.39 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.62 1l2o n GLY 97 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1l2o h GLN 98 N 0.95 0.00 -0.14 1.61 4.20 -1.90 -3.46 115.11 116.38 1l2o h GLN 98 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1l2o h GLN 98 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1l2o h GLN 98 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1l2o n GLY 99 N -1.12 1.25 3.24 3.46 0.00 -1.26 -5.10 105.19 105.66 1l2o n GLY 99 Ca -0.03 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1l2o n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1l2o s PHE 100 N -2.14 2.69 -0.35 1.61 0.08 -1.26 -3.89 117.98 114.71 1l2o s PHE 100 Ca 0.00 -1.08 -0.05 0.00 0.12 0.00 0.00 56.93 55.92 1l2o s PHE 100 Cb 0.00 -1.81 0.06 0.00 -0.57 0.00 0.00 43.02 40.70 1l2o s PHE 100 CO 0.00 -0.47 0.12 0.96 -0.10 0.00 0.00 175.22 175.73 1l2o s ILE 101 N 0.62 3.54 0.50 0.64 -5.25 -0.76 -4.85 121.20 115.65 1l2o s ILE 101 Ca -0.10 -1.42 -0.10 0.00 -0.99 0.00 0.00 60.65 58.04 1l2o s ILE 101 Cb -0.16 -3.12 -0.09 0.00 2.95 0.00 0.00 42.46 42.04 1l2o s ILE 101 CO 0.03 -0.31 -0.37 -0.24 -1.79 0.00 0.00 174.94 172.26 1l2o n SER 102 N 4.74 -3.14 0.21 4.36 2.88 -1.26 -3.49 113.62 117.92 1l2o n SER 102 Ca -0.10 0.17 -0.08 0.00 -1.33 0.00 0.00 58.87 57.52 1l2o n SER 102 Cb 0.43 -0.45 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 1l2o n SER 102 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1l2o h GLY 103 N -0.43 -0.57 -0.15 0.46 0.00 -1.78 -2.74 103.07 97.86 1l2o h GLY 103 Ca -0.25 0.21 0.23 0.00 0.00 0.00 0.00 47.33 47.52 1l2o h GLY 103 CO 0.16 -0.21 0.51 0.00 0.00 0.00 0.00 176.54 177.00 1l2o h ALA 104 N -1.71 1.63 0.30 3.60 0.00 -1.90 -0.10 119.26 121.08 1l2o h ALA 104 Ca -0.06 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1l2o h ALA 104 Cb 0.42 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1l2o h ALA 104 CO 0.09 -0.29 -0.20 1.49 0.00 0.00 0.00 179.25 180.34 1l2o h GLU 105 N 0.51 -0.47 -0.69 0.00 4.81 -1.90 0.29 114.58 117.13 1l2o h GLU 105 Ca 0.60 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 60.01 1l2o h GLU 105 Cb 1.14 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.52 1l2o h GLU 105 CO -0.49 -0.32 0.14 1.25 -0.73 0.00 0.00 179.01 178.86 1l2o h LEU 106 N -0.49 -0.03 -0.79 1.64 5.85 -0.72 0.71 115.31 121.48 1l2o h LEU 106 Ca -0.03 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1l2o h LEU 106 Cb 0.42 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1l2o h LEU 106 CO 0.02 -0.04 0.51 -0.09 -0.34 0.00 0.00 178.44 178.50 1l2o h ARG 107 N 0.25 0.99 0.26 1.25 9.65 -0.68 -1.79 114.38 124.31 1l2o h ARG 107 Ca 0.38 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.19 1l2o h ARG 107 Cb 0.62 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1l2o h ARG 107 CO -0.49 0.65 -0.19 1.25 2.80 0.00 0.00 179.97 184.00 1l2o h HIS 108 N 1.02 -0.51 -0.93 2.20 2.76 0.39 0.58 115.15 120.65 1l2o h HIS 108 Ca 0.31 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.62 1l2o h HIS 108 Cb -0.04 0.19 -0.15 0.00 1.55 0.00 0.00 27.41 28.96 1l2o h HIS 108 CO -0.02 -0.27 -0.38 0.28 -1.30 0.00 0.00 177.93 176.23 1l2o h VAL 109 N -0.43 0.03 -0.47 5.26 2.07 -0.12 1.69 116.25 124.28 1l2o h VAL 109 Ca -0.03 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 1l2o h VAL 109 Cb 0.35 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1l2o h VAL 109 CO 0.01 0.00 -0.11 -0.07 0.02 0.00 0.00 177.57 177.43 1l2o h LEU 110 N -0.03 0.86 -2.32 2.57 3.38 -1.29 -1.98 115.31 116.50 1l2o h LEU 110 Ca 0.33 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1l2o h LEU 110 Cb 0.59 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1l2o h LEU 110 CO -0.94 0.98 0.00 0.35 0.09 0.00 0.00 178.44 178.92 1l2o n THR 111 N -4.15 0.50 0.00 0.22 -2.24 0.19 -2.17 114.28 106.62 1l2o n THR 111 Ca 0.01 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1l2o n THR 111 Cb 0.38 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1l2o n THR 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l2o n ALA 112 N 1.42 2.33 -2.67 6.98 0.00 0.56 -4.59 120.51 124.54 1l2o n ALA 112 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.38 1l2o n ALA 112 Cb 0.59 0.38 -0.01 0.00 0.00 0.00 0.00 19.45 20.40 1l2o n ALA 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1l2o s LEU 113 N -4.91 4.04 0.00 0.00 1.02 -0.75 -4.83 118.68 113.24 1l2o s LEU 113 Ca 0.00 0.44 0.00 0.00 0.02 0.00 0.00 54.13 54.59 1l2o s LEU 113 Cb 0.00 -3.30 0.00 0.00 0.02 0.00 0.00 46.19 42.91 1l2o s LEU 113 CO 0.00 -0.27 0.00 0.61 0.02 0.00 0.00 176.35 176.71 1l2o n GLY 114 N -1.70 1.16 3.63 -3.19 0.00 -1.26 -3.89 105.19 99.95 1l2o n GLY 114 Ca -0.05 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1l2o n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1l2o s GLU 115 N 0.00 4.03 1.03 1.61 2.02 -1.26 -5.00 118.70 121.13 1l2o s GLU 115 Ca 0.00 0.99 -0.15 0.00 0.02 0.00 0.00 54.97 55.83 1l2o s GLU 115 Cb 0.00 -3.75 0.20 0.00 0.10 0.00 0.00 34.13 30.69 1l2o s GLU 115 CO 0.00 -0.91 1.13 1.03 0.02 0.00 0.00 175.26 176.54 1l2o s ARG 116 N 3.62 0.18 0.05 1.61 0.52 -1.25 -4.98 118.95 118.70 1l2o s ARG 116 Ca 0.44 0.18 0.08 0.00 -0.52 0.00 0.00 55.73 55.91 1l2o s ARG 116 Cb -0.12 -1.74 -0.03 0.00 0.52 0.00 0.00 34.95 33.59 1l2o s ARG 116 CO 0.16 -2.83 -0.21 -0.51 0.02 0.00 0.00 175.30 171.93 1l2o s LEU 117 N -6.42 2.19 0.52 2.53 1.43 -0.92 -4.98 118.68 113.02 1l2o s LEU 117 Ca 0.67 -0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 53.00 1l2o s LEU 117 Cb -0.14 -0.99 -0.06 0.00 0.03 0.00 0.00 46.19 45.04 1l2o s LEU 117 CO 0.55 0.15 1.29 -0.44 0.23 0.00 0.00 176.35 178.14 1l2o s SER 118 N -1.28 5.56 0.47 2.29 0.01 -1.26 -4.57 113.70 114.92 1l2o s SER 118 Ca 0.08 2.60 0.25 0.00 1.31 0.00 0.00 55.95 60.18 1l2o s SER 118 Cb -0.09 -2.62 1.29 0.00 0.21 0.00 0.00 66.02 64.81 1l2o s SER 118 CO 0.02 -1.36 1.85 0.44 0.41 0.00 0.00 173.24 174.60 1l2o h ASP 119 N 1.62 0.21 0.00 2.44 3.32 -1.99 -2.93 116.42 119.10 1l2o h ASP 119 Ca -0.50 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1l2o h ASP 119 Cb 1.28 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1l2o h ASP 119 CO 0.58 0.07 0.00 -0.62 -1.72 0.00 0.00 179.24 177.55 1l2o n GLU 120 N -4.40 0.00 -0.25 3.56 -0.58 -1.26 0.60 120.64 118.30 1l2o n GLU 120 Ca 0.21 0.29 -0.02 0.00 -0.42 0.00 0.00 57.16 57.21 1l2o n GLU 120 Cb 0.89 -1.05 0.00 0.00 -0.57 0.00 0.00 31.44 30.71 1l2o n GLU 120 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1l2o n ASP 121 N -0.91 -0.48 0.15 1.62 8.00 -1.11 0.26 116.55 124.08 1l2o n ASP 121 Ca 0.00 1.11 -0.15 0.00 0.71 0.00 0.00 54.79 56.46 1l2o n ASP 121 Cb 0.00 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 40.80 1l2o n ASP 121 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1l2o h VAL 122 N 0.00 0.19 -0.34 2.53 2.07 -1.45 1.95 116.25 121.20 1l2o h VAL 122 Ca 0.19 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.81 1l2o h VAL 122 Cb 0.35 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1l2o h VAL 122 CO -0.62 0.00 0.32 0.44 0.02 0.00 0.00 177.57 177.73 1l2o h ASP 123 N -0.68 0.00 0.00 0.57 5.19 0.92 0.74 116.42 123.16 1l2o h ASP 123 Ca 0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1l2o h ASP 123 Cb 0.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.19 1l2o h ASP 123 CO -0.19 0.00 -0.00 -0.08 -3.12 0.00 0.00 179.24 175.85 1l2o h GLU 124 N 0.00 -0.00 -0.04 3.56 4.22 0.52 -3.16 114.58 119.67 1l2o h GLU 124 Ca 0.16 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.62 1l2o h GLU 124 Cb 0.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1l2o h GLU 124 CO -0.00 -0.00 0.37 0.97 -2.18 0.00 0.00 179.01 178.17 1l2o h ILE 125 N -0.86 0.04 0.00 2.32 6.09 0.31 1.12 117.51 126.53 1l2o h ILE 125 Ca -0.00 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 1l2o h ILE 125 Cb 0.00 0.64 -0.00 0.00 0.47 0.00 0.00 36.82 37.92 1l2o h ILE 125 CO 0.00 0.00 -0.48 0.40 -3.07 0.00 0.00 178.15 175.00 1l2o h ILE 126 N 0.00 0.13 0.01 2.19 2.04 -0.93 -3.12 117.51 117.82 1l2o h ILE 126 Ca 0.02 -1.20 -0.18 0.00 1.00 0.00 0.00 64.86 64.50 1l2o h ILE 126 Cb 0.76 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1l2o h ILE 126 CO -0.00 0.07 -1.00 0.11 0.00 0.00 0.00 178.15 177.33 1l2o h LYS 127 N 0.00 0.03 -0.43 2.37 1.57 0.12 -2.00 116.57 118.23 1l2o h LYS 127 Ca -0.01 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1l2o h LYS 127 Cb 1.08 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.33 1l2o h LYS 127 CO 0.01 1.02 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.79 1l2o h LEU 128 N -0.91 -0.29 0.00 2.94 3.38 -1.13 0.04 115.31 119.34 1l2o h LEU 128 Ca -0.26 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1l2o h LEU 128 Cb 1.29 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1l2o h LEU 128 CO -0.13 -0.10 -0.28 0.35 0.09 0.00 0.00 178.44 178.37 1l2o n THR 129 N -5.27 0.06 -3.40 0.22 -2.24 -1.18 -4.94 114.28 97.54 1l2o n THR 129 Ca 0.03 -0.04 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 1l2o n THR 129 Cb 0.23 -0.13 0.07 0.00 -2.10 0.00 0.00 70.33 68.40 1l2o n THR 129 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1l2o n ASP 130 N -1.60 -5.39 -4.73 3.42 2.03 -0.00 -4.95 116.55 105.33 1l2o n ASP 130 Ca 0.06 -0.45 -0.42 0.00 0.52 0.00 0.00 54.79 54.49 1l2o n ASP 130 Cb 0.35 -4.27 -0.02 0.00 -0.72 0.00 0.00 41.12 36.46 1l2o n ASP 130 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1l2o n LEU 131 N -4.20 4.18 -4.05 -2.67 7.94 -0.76 -5.00 117.00 112.43 1l2o n LEU 131 Ca -0.01 1.14 -0.30 0.00 -1.11 0.00 0.00 56.01 55.73 1l2o n LEU 131 Cb 0.56 -1.57 -0.17 0.00 0.53 0.00 0.00 43.42 42.77 1l2o n LEU 131 CO 0.54 0.08 -0.50 -1.10 -1.11 0.00 0.00 177.39 175.31 1l2o s GLN 132 N -0.32 2.34 0.43 1.96 -1.52 -1.26 -4.92 119.66 116.37 1l2o s GLN 132 Ca 0.66 -0.59 -0.18 0.00 -1.95 0.00 0.00 55.36 53.29 1l2o s GLN 132 Cb -0.51 -2.05 -0.10 0.00 -0.22 0.00 0.00 33.01 30.12 1l2o s GLN 132 CO 0.47 -0.14 0.91 -1.21 -0.25 0.00 0.00 175.29 175.06 1l2o s GLU 133 N 1.21 4.11 0.74 2.91 2.02 -1.26 -4.56 118.70 123.86 1l2o s GLU 133 Ca -0.01 0.97 -0.00 0.00 0.02 0.00 0.00 54.97 55.95 1l2o s GLU 133 Cb -0.14 -2.23 0.14 0.00 0.10 0.00 0.00 34.13 32.00 1l2o s GLU 133 CO -0.06 -0.04 1.01 0.16 0.02 0.00 0.00 175.26 176.35 1l2o s ASP 134 N -2.43 4.25 0.33 -0.19 1.47 -0.79 -4.81 116.67 114.50 1l2o s ASP 134 Ca 0.59 -0.48 0.11 0.00 1.18 0.00 0.00 52.55 53.95 1l2o s ASP 134 Cb -0.09 0.17 0.94 0.00 -0.34 0.00 0.00 42.92 43.59 1l2o s ASP 134 CO 0.18 -1.94 1.72 -0.07 0.68 0.00 0.00 175.17 175.75 1l2o h LEU 135 N -0.56 0.63 -0.45 2.11 3.38 -1.98 0.80 115.31 119.25 1l2o h LEU 135 Ca -0.35 0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.59 1l2o h LEU 135 Cb 1.26 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1l2o h LEU 135 CO 0.38 0.07 -0.75 -0.33 0.09 0.00 0.00 178.44 177.90 1l2o h GLU 136 N 0.53 0.22 0.00 1.13 3.07 -2.04 -3.47 114.58 114.01 1l2o h GLU 136 Ca 0.66 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 1l2o h GLU 136 Cb 1.32 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1l2o h GLU 136 CO -0.48 0.87 0.00 0.41 -1.40 0.00 0.00 179.01 178.41 1l2o n GLY 137 N 0.59 0.98 3.15 -3.84 0.00 0.28 -5.05 105.19 101.31 1l2o n GLY 137 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1l2o n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1l2o s ASN 138 N -1.89 1.62 0.01 1.61 0.01 -1.26 -2.08 114.94 112.97 1l2o s ASN 138 Ca 0.00 -0.55 0.08 0.00 -0.71 0.00 0.00 52.86 51.68 1l2o s ASN 138 Cb 0.00 -0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.57 1l2o s ASN 138 CO 0.00 -0.04 -0.24 0.68 -1.51 0.00 0.00 177.10 175.99 1l2o s VAL 139 N -1.11 2.26 -0.16 1.60 -7.23 -1.23 -1.88 120.40 112.65 1l2o s VAL 139 Ca -0.01 -1.21 -0.29 0.00 -1.81 0.00 0.00 61.98 58.65 1l2o s VAL 139 Cb -0.09 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 1l2o s VAL 139 CO 0.02 0.46 1.21 -0.54 -0.31 0.00 0.00 175.10 175.93 1l2o s LYS 140 N -1.00 4.26 0.39 4.82 1.02 -1.26 -1.82 119.74 126.15 1l2o s LYS 140 Ca 0.11 1.60 0.10 0.00 0.02 0.00 0.00 55.97 57.80 1l2o s LYS 140 Cb -0.10 -3.71 0.79 0.00 -0.52 0.00 0.00 37.83 34.29 1l2o s LYS 140 CO 0.01 -0.64 1.91 0.10 -0.92 0.00 0.00 175.35 175.81 1l2o h TYR 141 N 7.93 0.22 -0.32 3.18 -0.00 -1.89 -2.94 116.97 123.15 1l2o h TYR 141 Ca -0.26 -0.03 0.07 0.00 0.00 0.00 0.00 58.73 58.51 1l2o h TYR 141 Cb 1.10 -0.06 -0.08 0.00 0.00 0.00 0.00 36.73 37.70 1l2o h TYR 141 CO 0.78 0.36 -0.19 1.49 -0.00 0.00 0.00 178.16 180.60 1l2o h GLU 142 N 0.20 -0.15 -0.72 0.10 4.81 -1.90 0.19 114.58 117.11 1l2o h GLU 142 Ca 0.04 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1l2o h GLU 142 Cb 0.39 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1l2o h GLU 142 CO 0.02 -0.10 0.46 -0.44 -0.73 0.00 0.00 179.01 178.22 1l2o h ASP 143 N -0.16 0.76 -0.38 1.04 3.32 -1.93 -1.55 116.42 117.53 1l2o h ASP 143 Ca 0.16 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1l2o h ASP 143 Cb 0.41 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1l2o h ASP 143 CO -0.41 0.53 0.06 0.15 -1.72 0.00 0.00 179.24 177.84 1l2o h PHE 144 N 0.90 0.67 -0.09 4.55 3.57 -1.26 -2.75 116.94 122.52 1l2o h PHE 144 Ca 0.29 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1l2o h PHE 144 Cb 0.01 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1l2o h PHE 144 CO -0.04 0.67 -0.08 0.28 -2.23 0.00 0.00 178.31 176.91 1l2o h VAL 145 N 0.47 1.12 -0.33 1.41 2.07 -0.24 -1.79 116.25 118.96 1l2o h VAL 145 Ca 0.11 -0.50 -0.15 0.00 0.82 0.00 0.00 66.70 66.99 1l2o h VAL 145 Cb 0.36 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1l2o h VAL 145 CO 0.01 0.15 -0.38 0.11 0.02 0.00 0.00 177.57 177.48 1l2o h LYS 146 N 0.13 0.78 -0.20 1.57 1.57 -1.02 -2.89 116.57 116.51 1l2o h LYS 146 Ca 0.03 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.37 1l2o h LYS 146 Cb 0.23 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1l2o h LYS 146 CO 0.01 1.03 -0.02 0.87 -0.57 0.00 0.00 179.45 180.77 1l2o h LYS 147 N 0.64 0.37 -0.90 3.15 1.57 -1.11 0.60 116.57 120.90 1l2o h LYS 147 Ca 0.06 -0.13 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1l2o h LYS 147 Cb 0.94 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.16 1l2o h LYS 147 CO 0.09 0.59 0.58 0.28 -0.57 0.00 0.00 179.45 180.43 1l2o h VAL 148 N 0.12 1.07 0.00 0.50 2.07 -1.37 -0.78 116.25 117.86 1l2o h VAL 148 Ca 0.06 -0.35 -0.19 0.00 0.82 0.00 0.00 66.70 67.04 1l2o h VAL 148 Cb 0.44 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1l2o h VAL 148 CO 0.01 0.19 -0.97 0.24 0.02 0.00 0.00 177.57 177.06 1l2o h MET 149 N 1.02 0.00 -0.58 1.57 2.86 -1.40 -3.30 114.93 115.10 1l2o h MET 149 Ca 0.39 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 58.12 1l2o h MET 149 Cb 0.19 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1l2o h MET 149 CO -0.14 0.75 0.39 0.00 1.06 0.00 0.00 176.91 178.97 1l2o h ALA 150 N 1.17 2.04 0.00 6.32 0.00 0.17 -3.49 119.26 125.48 1l2o h ALA 150 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1l2o h ALA 150 Cb 1.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1l2o h ALA 150 CO 0.10 -0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1l2o n GLY 151 N -1.53 1.41 0.19 0.00 0.00 -0.99 -4.57 105.19 99.70 1l2o n GLY 151 Ca 0.09 -1.80 -0.00 0.00 0.00 0.00 0.00 46.02 44.31 1l2o n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l2o h PRO 152 N 0.00 0.14 -3.63 1.61 0.13 -1.90 -3.37 132.00 124.98 1l2o h PRO 152 Ca 0.00 -0.07 -0.69 0.00 -0.87 0.00 0.00 66.00 64.38 1l2o h PRO 152 Cb 0.00 -0.00 -0.36 0.00 0.13 0.00 0.00 31.00 30.77 1l2o h PRO 152 CO 0.00 0.54 -0.41 0.71 -0.23 0.00 0.00 178.00 178.60 1l2o s TYR 153 N -4.12 3.40 -2.00 1.56 2.02 -1.26 -5.11 117.35 111.83 1l2o s TYR 153 Ca -0.04 -2.76 0.20 0.00 -0.37 0.00 0.00 57.07 54.11 1l2o s TYR 153 Cb 0.14 -3.15 1.21 0.00 -0.40 0.00 0.00 41.96 39.76 1l2o s TYR 153 CO 0.76 -0.84 1.60 -0.35 -1.57 0.00 0.00 175.55 175.15