#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1e s SER 2 N 0.00 -0.14 0.00 6.12 1.04 -1.26 -5.08 113.70 114.38 1u1e s SER 2 Ca 0.00 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1u1e s SER 2 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1u1e s SER 2 CO 0.00 -1.12 0.00 1.17 0.98 0.00 0.00 173.24 174.27 1u1e n LYS 3 N -0.52 0.00 -3.66 4.02 3.00 -1.26 -5.08 118.16 114.67 1u1e n LYS 3 Ca -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.19 1u1e n LYS 3 Cb 0.60 -0.37 -0.08 0.00 0.00 0.00 0.00 35.03 35.18 1u1e n LYS 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1u1e s SER 4 N -3.64 -0.72 0.02 3.14 0.15 -1.26 -4.46 113.70 106.93 1u1e s SER 4 Ca 0.00 1.25 0.23 0.00 0.70 0.00 0.00 55.95 58.13 1u1e s SER 4 Cb 0.00 1.44 0.16 0.00 -1.71 0.00 0.00 66.02 65.91 1u1e s SER 4 CO 0.00 -0.22 1.15 0.47 1.20 0.00 0.00 173.24 175.84 1u1e n ASP 5 N 4.84 0.67 -4.49 5.45 10.43 0.89 -4.91 116.55 129.42 1u1e n ASP 5 Ca -0.16 -0.42 -0.23 0.00 2.57 0.00 0.00 54.79 56.54 1u1e n ASP 5 Cb 0.53 0.63 -0.11 0.00 1.84 0.00 0.00 41.12 44.02 1u1e n ASP 5 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1u1e s VAL 6 N -3.07 1.61 0.20 2.53 -7.23 -1.23 -5.04 120.40 108.18 1u1e s VAL 6 Ca 0.08 -2.05 0.08 0.00 -1.81 0.00 0.00 61.98 58.27 1u1e s VAL 6 Cb 0.16 -2.73 -0.11 0.00 0.56 0.00 0.00 36.38 34.26 1u1e s VAL 6 CO 0.78 -0.11 1.46 -0.26 -0.31 0.00 0.00 175.10 176.66 1u1e h PHE 7 N 2.07 0.05 0.00 2.82 0.05 -1.95 -3.41 116.94 116.57 1u1e h PHE 7 Ca -0.41 -0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.35 1u1e h PHE 7 Cb 1.24 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 39.18 1u1e h PHE 7 CO 0.66 0.81 -0.83 0.72 -0.18 0.00 0.00 178.31 179.49 1u1e n HIS 8 N -3.62 0.00 0.22 -0.55 8.25 -1.26 -4.84 115.22 113.42 1u1e n HIS 8 Ca -0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.54 1u1e n HIS 8 Cb 0.76 0.00 0.52 0.00 1.12 0.00 0.00 29.99 32.39 1u1e n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1e h LEU 9 N 0.00 0.00 -0.73 2.41 3.38 -1.93 -3.45 115.31 114.99 1u1e h LEU 9 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1u1e h LEU 9 Cb 0.83 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.64 1u1e h LEU 9 CO 0.00 0.24 -0.32 0.61 0.09 0.00 0.00 178.44 179.07 1u1e n GLY 10 N -0.27 0.22 3.23 0.83 0.00 -1.26 -4.70 105.19 103.24 1u1e n GLY 10 Ca -0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 1u1e n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1e s LEU 11 N -3.88 2.22 0.27 0.99 1.43 -1.26 -4.77 118.68 113.67 1u1e s LEU 11 Ca 0.25 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.85 1u1e s LEU 11 Cb -0.11 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 1u1e s LEU 11 CO 0.31 0.07 0.35 0.42 0.23 0.00 0.00 176.35 177.74 1u1e s THR 12 N -0.97 4.68 0.40 5.49 -4.23 -1.26 -0.08 115.64 119.67 1u1e s THR 12 Ca 0.05 -1.10 0.11 0.00 -1.18 0.00 0.00 61.69 59.56 1u1e s THR 12 Cb -0.09 -3.61 0.16 0.00 1.34 0.00 0.00 72.50 70.30 1u1e s THR 12 CO 0.02 -0.28 1.93 0.50 -0.54 0.00 0.00 174.62 176.25 1u1e h LYS 13 N 1.17 0.17 -0.05 3.99 3.64 -1.95 -2.60 116.57 120.94 1u1e h LYS 13 Ca -0.49 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.80 1u1e h LYS 13 Cb 1.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1u1e h LYS 13 CO 0.59 0.33 -0.20 -0.97 -2.27 0.00 0.00 179.45 176.93 1u1e h ASN 14 N 0.16 0.07 -0.19 4.20 -0.73 -1.95 -2.61 115.58 114.53 1u1e h ASN 14 Ca 0.03 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1u1e h ASN 14 Cb 0.38 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 1u1e h ASN 14 CO 0.02 0.28 0.09 0.44 -0.37 0.00 0.00 177.43 177.89 1u1e h ASP 15 N 0.07 0.31 1.43 1.15 3.45 -1.86 -3.03 116.42 117.93 1u1e h ASP 15 Ca 0.01 -0.03 -0.06 0.00 0.43 0.00 0.00 57.03 57.39 1u1e h ASP 15 Cb 0.39 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 1u1e h ASP 15 CO 0.03 0.29 -0.30 -0.07 -1.57 0.00 0.00 179.24 177.63 1u1e h LEU 16 N 0.34 0.00 1.00 1.55 4.07 -1.55 -3.48 115.31 117.25 1u1e h LEU 16 Ca 0.09 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.65 1u1e h LEU 16 Cb 0.09 0.00 0.04 0.00 1.08 0.00 0.00 40.66 41.87 1u1e h LEU 16 CO -0.01 0.30 -0.60 0.00 -1.08 0.00 0.00 178.44 177.05 1u1e n GLN 17 N -3.24 -4.59 -0.42 1.13 6.02 -1.15 -2.29 117.38 112.84 1u1e n GLN 17 Ca 0.02 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.86 1u1e n GLN 17 Cb 0.59 -5.68 0.00 0.00 1.02 0.00 0.00 30.24 26.16 1u1e n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1e n GLY 18 N -1.46 0.75 3.76 1.08 0.00 -1.26 -4.81 105.19 103.25 1u1e n GLY 18 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1u1e n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1e s ALA 19 N -2.39 3.63 0.00 4.61 0.00 -0.97 -4.92 121.76 121.72 1u1e s ALA 19 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1u1e s ALA 19 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1u1e s ALA 19 CO 0.00 -0.91 0.25 0.25 0.00 0.00 0.00 175.76 175.34 1u1e n THR 20 N 1.46 0.00 -5.19 0.00 -2.24 -1.26 -4.33 114.28 102.72 1u1e n THR 20 Ca 0.04 -0.43 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 1u1e n THR 20 Cb 0.39 1.08 -0.16 0.00 -2.10 0.00 0.00 70.33 69.55 1u1e n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1e s LEU 21 N -0.72 2.18 -0.03 3.22 0.20 -1.26 0.16 118.68 122.43 1u1e s LEU 21 Ca 0.00 -0.47 0.05 0.00 0.69 0.00 0.00 54.13 54.40 1u1e s LEU 21 Cb 0.00 -1.41 -0.01 0.00 -0.43 0.00 0.00 46.19 44.34 1u1e s LEU 21 CO 0.00 0.25 -0.16 0.00 -0.29 0.00 0.00 176.35 176.14 1u1e s ALA 22 N -0.18 1.42 -0.19 5.97 0.00 0.14 -1.88 121.76 127.04 1u1e s ALA 22 Ca -0.03 -0.67 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 1u1e s ALA 22 Cb -0.14 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1u1e s ALA 22 CO 0.04 0.29 0.28 0.42 0.00 0.00 0.00 175.76 176.79 1u1e s ILE 23 N -0.12 5.30 -0.50 0.00 1.01 0.35 -1.16 121.20 126.08 1u1e s ILE 23 Ca 0.00 0.49 0.04 0.00 0.00 0.00 0.00 60.65 61.18 1u1e s ILE 23 Cb -0.09 -3.62 0.13 0.00 0.01 0.00 0.00 42.46 38.89 1u1e s ILE 23 CO 0.01 0.36 0.26 0.68 0.00 0.00 0.00 174.94 176.24 1u1e s VAL 24 N 0.74 2.33 0.66 2.92 -7.23 0.79 -1.56 120.40 119.04 1u1e s VAL 24 Ca 0.15 -3.16 -0.11 0.00 -1.81 0.00 0.00 61.98 57.05 1u1e s VAL 24 Cb -0.13 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 1u1e s VAL 24 CO 0.04 -0.82 1.05 -2.16 -0.31 0.00 0.00 175.10 172.90 1u1e s PRO 25 N -0.16 3.25 -0.04 4.82 0.04 -1.24 -3.44 135.00 138.24 1u1e s PRO 25 Ca 0.17 0.74 -0.22 0.00 0.04 0.00 0.00 61.00 61.73 1u1e s PRO 25 Cb -0.26 -2.04 -0.29 0.00 0.04 0.00 0.00 34.50 31.95 1u1e s PRO 25 CO 0.00 -0.82 0.93 0.78 0.04 0.00 0.00 177.00 177.93 1u1e h GLY 26 N -0.50 0.34 -5.11 0.56 0.00 -1.83 -0.23 103.07 96.29 1u1e h GLY 26 Ca -0.44 -0.80 -0.58 0.00 0.00 0.00 0.00 47.33 45.51 1u1e h GLY 26 CO 0.61 0.70 0.77 -0.35 0.00 0.00 0.00 176.54 178.27 1u1e s ASP 27 N -6.87 7.09 0.65 0.19 -1.08 -1.26 -1.39 116.67 113.99 1u1e s ASP 27 Ca -0.14 1.36 0.38 0.00 -0.52 0.00 0.00 52.55 53.63 1u1e s ASP 27 Cb 0.01 -2.53 2.09 0.00 -1.46 0.00 0.00 42.92 41.03 1u1e s ASP 27 CO 0.82 -0.65 2.24 1.55 0.52 0.00 0.00 175.17 179.64 1u1e h PRO 28 N 7.45 0.00 0.00 4.34 0.13 -1.87 -1.76 132.00 140.29 1u1e h PRO 28 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1u1e h PRO 28 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1u1e h PRO 28 CO 0.97 0.00 -0.07 -0.25 -0.23 0.00 0.00 178.00 178.41 1u1e n ASP 29 N -3.26 0.45 0.07 1.44 10.43 -1.26 -3.37 116.55 121.04 1u1e n ASP 29 Ca -0.02 0.47 0.12 0.00 2.57 0.00 0.00 54.79 57.93 1u1e n ASP 29 Cb 0.17 -0.55 0.26 0.00 1.84 0.00 0.00 41.12 42.84 1u1e n ASP 29 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 1u1e n ARG 30 N -1.89 0.25 0.00 -1.24 0.63 -0.66 -4.34 116.66 109.41 1u1e n ARG 30 Ca 0.06 0.11 -0.12 0.00 -0.92 0.00 0.00 57.85 56.99 1u1e n ARG 30 Cb 0.39 -1.70 -0.06 0.00 0.45 0.00 0.00 32.46 31.54 1u1e n ARG 30 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1u1e h VAL 31 N 0.00 1.10 -0.84 5.15 2.07 -1.66 -2.10 116.25 119.96 1u1e h VAL 31 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1u1e h VAL 31 Cb 0.71 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1u1e h VAL 31 CO 0.00 0.08 0.54 -0.08 0.02 0.00 0.00 177.57 178.14 1u1e h GLU 32 N 0.00 1.12 -0.44 1.57 4.81 -1.81 -1.60 114.58 118.23 1u1e h GLU 32 Ca 0.02 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1u1e h GLU 32 Cb 0.10 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1u1e h GLU 32 CO -0.00 0.76 0.26 0.87 -0.73 0.00 0.00 179.01 180.17 1u1e h LYS 33 N 1.15 0.59 -0.34 1.92 1.57 -1.68 0.18 116.57 119.96 1u1e h LYS 33 Ca 0.31 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.94 1u1e h LYS 33 Cb -0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1u1e h LYS 33 CO -0.06 0.44 -0.16 0.82 -0.57 0.00 0.00 179.45 179.91 1u1e h ILE 34 N 0.58 1.29 0.00 1.86 2.04 -1.18 -3.17 117.51 118.92 1u1e h ILE 34 Ca 0.16 -1.28 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 1u1e h ILE 34 Cb -0.00 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1u1e h ILE 34 CO -0.03 0.42 -0.27 0.00 0.00 0.00 0.00 178.15 178.27 1u1e h ALA 35 N 0.78 1.24 0.00 1.87 0.00 -1.10 -2.70 119.26 119.35 1u1e h ALA 35 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1u1e h ALA 35 Cb 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1u1e h ALA 35 CO 0.05 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1u1e h ALA 36 N 1.73 1.00 0.00 0.00 0.00 -0.93 -2.70 119.26 118.36 1u1e h ALA 36 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u1e h ALA 36 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1u1e h ALA 36 CO 0.04 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.22 1u1e h LEU 37 N 0.00 0.00-10.35 0.00 4.07 -1.56 -3.47 115.31 104.01 1u1e h LEU 37 Ca 0.00 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.40 1u1e h LEU 37 Cb 0.45 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.15 1u1e h LEU 37 CO 0.00 0.00 -0.29 -0.04 -1.08 0.00 0.00 178.44 177.03 1u1e s MET 38 N -3.19 2.28 0.38 1.13 -1.94 -1.02 -5.12 119.30 111.83 1u1e s MET 38 Ca 0.08 -1.93 -0.20 0.00 -1.71 0.00 0.00 55.69 51.93 1u1e s MET 38 Cb 0.08 -2.18 -0.10 0.00 2.01 0.00 0.00 34.83 34.65 1u1e s MET 38 CO 0.62 -0.59 0.88 -0.51 -0.01 0.00 0.00 175.02 175.41 1u1e s ASP 39 N -4.29 6.95 -0.99 3.03 1.01 0.21 -4.48 116.67 118.10 1u1e s ASP 39 Ca 0.38 1.58 -0.14 0.00 0.71 0.00 0.00 52.55 55.08 1u1e s ASP 39 Cb -0.02 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.43 1u1e s ASP 39 CO 0.24 -0.26 0.67 0.29 0.21 0.00 0.00 175.17 176.31 1u1e n LYS 40 N -0.35 -1.06 -2.61 8.23 5.02 -1.26 0.76 118.16 126.90 1u1e n LYS 40 Ca 0.05 0.56 -0.42 0.00 -2.02 0.00 0.00 58.31 56.48 1u1e n LYS 40 Cb 0.53 -2.96 -0.03 0.00 -0.02 0.00 0.00 35.03 32.55 1u1e n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1e s PRO 41 N -5.73 4.50 -0.02 1.97 0.04 -1.26 -4.36 135.00 130.14 1u1e s PRO 41 Ca 0.23 1.54 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1u1e s PRO 41 Cb -0.11 -3.44 0.01 0.00 0.04 0.00 0.00 34.50 31.00 1u1e s PRO 41 CO 0.90 -0.16 -0.04 0.08 0.04 0.00 0.00 177.00 177.82 1u1e s VAL 42 N 1.18 0.43 0.03 -0.36 1.01 -0.35 -5.00 120.40 117.34 1u1e s VAL 42 Ca 0.54 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 1u1e s VAL 42 Cb -0.24 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 1u1e s VAL 42 CO 0.27 0.16 1.10 -0.75 0.00 0.00 0.00 175.10 175.89 1u1e s LYS 43 N 0.45 4.49 -0.25 2.72 2.20 -1.26 -0.96 119.74 127.13 1u1e s LYS 43 Ca -0.05 1.62 -0.13 0.00 -0.36 0.00 0.00 55.97 57.05 1u1e s LYS 43 Cb -0.09 -3.40 -0.11 0.00 -1.51 0.00 0.00 37.83 32.73 1u1e s LYS 43 CO -0.00 -0.17 -0.32 1.28 -0.36 0.00 0.00 175.35 175.77 1u1e n LEU 44 N 3.93 1.77 -3.58 5.43 4.77 -0.11 -4.94 117.00 124.27 1u1e n LEU 44 Ca 0.08 0.31 -0.16 0.00 -0.03 0.00 0.00 56.01 56.21 1u1e n LEU 44 Cb 0.48 -0.74 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 1u1e n LEU 44 CO 0.54 0.48 0.31 0.00 -1.33 0.00 0.00 177.39 177.39 1u1e s ALA 45 N -2.48 -1.45 -0.22 -1.18 0.00 -1.12 -5.02 121.76 110.30 1u1e s ALA 45 Ca -0.35 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 52.45 1u1e s ALA 45 Cb 0.13 0.17 0.08 0.00 0.00 0.00 0.00 23.12 23.50 1u1e s ALA 45 CO 0.44 -0.41 0.12 0.45 0.00 0.00 0.00 175.76 176.36 1u1e s SER 46 N -1.52 2.64 -0.03 0.00 0.15 -1.26 -1.04 113.70 112.64 1u1e s SER 46 Ca -0.09 -0.81 -0.01 0.00 0.70 0.00 0.00 55.95 55.74 1u1e s SER 46 Cb -0.01 -0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.12 1u1e s SER 46 CO 0.04 -0.38 0.05 -1.00 1.20 0.00 0.00 173.24 173.15 1u1e s HIS 47 N 2.15 -0.01 0.00 3.44 3.76 -0.67 -5.01 115.29 118.94 1u1e s HIS 47 Ca 0.05 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 1u1e s HIS 47 Cb -0.16 -0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.36 1u1e s HIS 47 CO -0.19 -0.09 0.00 0.54 -0.85 0.00 0.00 174.74 174.15 1u1e n ARG 48 N 3.99 0.00 -0.11 1.40 1.74 -1.26 -0.54 116.66 121.88 1u1e n ARG 48 Ca -0.25 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 56.93 1u1e n ARG 48 Cb 0.52 0.00 0.32 0.00 -1.02 0.00 0.00 32.46 32.28 1u1e n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1e n GLU 49 N 14.00 1.91 -3.38 5.56 0.00 -1.26 -4.81 120.64 132.66 1u1e n GLU 49 Ca 0.00 -1.38 -0.44 0.00 0.00 0.00 0.00 57.16 55.33 1u1e n GLU 49 Cb 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 31.44 29.97 1u1e n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1e s PHE 50 N -1.70 3.30 -0.18 -1.84 0.40 0.30 -4.15 117.98 114.11 1u1e s PHE 50 Ca 0.33 -1.45 -0.06 0.00 -0.60 0.00 0.00 56.93 55.15 1u1e s PHE 50 Cb 0.18 -3.69 -0.04 0.00 0.51 0.00 0.00 43.02 39.98 1u1e s PHE 50 CO 0.27 -1.01 0.03 0.99 0.70 0.00 0.00 175.22 176.20 1u1e s THR 51 N 1.53 4.45 -0.10 0.64 2.01 -1.26 -1.67 115.64 121.25 1u1e s THR 51 Ca 0.04 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.91 1u1e s THR 51 Cb -0.29 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.24 1u1e s THR 51 CO 0.02 0.47 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.33 1u1e s THR 52 N 0.44 1.75 0.18 -0.82 2.01 -0.21 -1.88 115.64 117.11 1u1e s THR 52 Ca 0.01 -0.82 0.11 0.00 0.31 0.00 0.00 61.69 61.30 1u1e s THR 52 Cb -0.13 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1u1e s THR 52 CO 0.01 0.49 -0.25 0.26 -0.69 0.00 0.00 174.62 174.45 1u1e s TRP 53 N 0.60 2.29 -0.04 4.92 0.52 0.18 -0.94 118.94 126.47 1u1e s TRP 53 Ca -0.14 -0.37 0.06 0.00 0.02 0.00 0.00 56.10 55.68 1u1e s TRP 53 Cb -0.17 -1.16 -0.02 0.00 -1.15 0.00 0.00 33.47 30.97 1u1e s TRP 53 CO 0.04 0.45 -0.23 0.50 0.02 0.00 0.00 176.95 177.74 1u1e s ARG 54 N -2.51 2.33 0.29 4.98 3.52 -0.13 -1.12 118.95 126.30 1u1e s ARG 54 Ca 0.19 -0.87 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 1u1e s ARG 54 Cb -0.08 -2.16 -0.03 0.00 -1.56 0.00 0.00 34.95 31.12 1u1e s ARG 54 CO 0.09 0.53 0.26 0.00 -0.81 0.00 0.00 175.30 175.36 1u1e s ALA 55 N -0.52 1.45 -0.11 6.12 0.00 -0.61 -1.21 121.76 126.88 1u1e s ALA 55 Ca 0.07 -1.86 0.02 0.00 0.00 0.00 0.00 51.96 50.19 1u1e s ALA 55 Cb -0.11 1.40 -0.01 0.00 0.00 0.00 0.00 23.12 24.40 1u1e s ALA 55 CO 0.00 -0.66 -0.17 -2.00 0.00 0.00 0.00 175.76 172.94 1u1e s GLU 56 N -3.65 3.17 -0.21 0.00 2.12 0.23 -0.70 118.70 119.66 1u1e s GLU 56 Ca 0.38 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.97 1u1e s GLU 56 Cb 0.03 -2.50 0.05 0.00 0.26 0.00 0.00 34.13 31.98 1u1e s GLU 56 CO 0.21 0.26 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.97 1u1e s LEU 57 N 0.21 2.26 -1.47 2.70 2.96 0.70 -0.62 118.68 125.42 1u1e s LEU 57 Ca -0.10 -1.02 -0.06 0.00 -0.22 0.00 0.00 54.13 52.72 1u1e s LEU 57 Cb -0.16 -1.10 0.05 0.00 0.50 0.00 0.00 46.19 45.48 1u1e s LEU 57 CO 0.06 -0.22 0.65 0.47 -1.32 0.00 0.00 176.35 175.99 1u1e n ASP 58 N 4.74 -1.86 0.00 3.68 10.43 -1.26 -1.34 116.55 130.94 1u1e n ASP 58 Ca -0.12 -0.93 0.00 0.00 2.57 0.00 0.00 54.79 56.31 1u1e n ASP 58 Cb 0.45 -3.35 0.00 0.00 1.84 0.00 0.00 41.12 40.06 1u1e n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u1e n GLY 59 N -1.74 2.01 3.57 0.44 0.00 -1.26 -5.01 105.19 103.19 1u1e n GLY 59 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1u1e n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1e s LYS 60 N -0.02 3.82 0.28 1.61 1.02 -0.45 -5.07 119.74 120.93 1u1e s LYS 60 Ca 0.00 -0.43 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 1u1e s LYS 60 Cb 0.00 -3.06 -0.11 0.00 -0.52 0.00 0.00 37.83 34.14 1u1e s LYS 60 CO 0.00 0.26 1.50 -1.25 -0.92 0.00 0.00 175.35 174.94 1u1e s PRO 61 N 0.36 4.20 0.01 -1.68 0.04 -1.26 -0.22 135.00 136.45 1u1e s PRO 61 Ca -0.01 2.44 0.03 0.00 0.04 0.00 0.00 61.00 63.50 1u1e s PRO 61 Cb -0.13 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 1u1e s PRO 61 CO 0.02 -0.51 -0.10 0.08 0.04 0.00 0.00 177.00 176.53 1u1e s VAL 62 N -0.14 0.75 -0.09 -0.36 1.01 0.12 -4.43 120.40 117.26 1u1e s VAL 62 Ca 0.60 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 1u1e s VAL 62 Cb -0.45 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1u1e s VAL 62 CO 0.47 0.05 0.13 -0.63 0.00 0.00 0.00 175.10 175.13 1u1e s ILE 63 N -0.54 5.32 -0.16 2.22 -1.09 -0.79 -1.58 121.20 124.58 1u1e s ILE 63 Ca 0.01 0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.49 1u1e s ILE 63 Cb -0.05 -3.35 0.02 0.00 -1.58 0.00 0.00 42.46 37.49 1u1e s ILE 63 CO 0.00 0.54 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.37 1u1e s VAL 64 N -1.09 1.97 -0.05 2.92 1.01 -0.28 -0.49 120.40 124.39 1u1e s VAL 64 Ca 0.18 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1u1e s VAL 64 Cb -0.12 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.52 1u1e s VAL 64 CO 0.08 0.53 0.09 0.00 0.00 0.00 0.00 175.10 175.80 1u1e s SER 66 N 1.52 7.08 -0.04 0.00 1.04 -0.79 -3.62 113.70 118.89 1u1e s SER 66 Ca -0.04 1.97 0.20 0.00 0.48 0.00 0.00 55.95 58.55 1u1e s SER 66 Cb -0.12 -2.59 -0.25 0.00 0.10 0.00 0.00 66.02 63.16 1u1e s SER 66 CO -0.04 -0.26 0.47 0.35 0.98 0.00 0.00 173.24 174.74 1u1e n THR 67 N 0.35 0.63 0.00 2.02 -2.24 -0.10 -4.37 114.28 110.57 1u1e n THR 67 Ca 0.03 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1u1e n THR 67 Cb 0.49 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1u1e n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1e n GLY 68 N 1.41 -1.31 3.70 3.38 0.00 -0.49 -3.55 105.19 108.33 1u1e n GLY 68 Ca -0.13 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 1u1e n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1e s ILE 69 N -1.29 4.72 0.00 -0.61 1.01 -1.26 -4.66 121.20 119.11 1u1e s ILE 69 Ca 0.00 1.96 0.00 0.00 0.00 0.00 0.00 60.65 62.61 1u1e s ILE 69 Cb 0.00 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1u1e s ILE 69 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1u1e n GLY 70 N 3.00 2.11 0.17 6.18 0.00 -1.25 -4.68 105.19 110.73 1u1e n GLY 70 Ca 0.07 -1.84 -0.04 0.00 0.00 0.00 0.00 46.02 44.20 1u1e n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1e h GLY 71 N 0.00 0.47 0.17 -0.02 0.00 -1.87 -2.67 103.07 99.14 1u1e h GLY 71 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 1u1e h GLY 71 CO 0.00 -0.06 -0.23 -2.55 0.00 0.00 0.00 176.54 173.70 1u1e h PRO 72 N 0.18 -0.22 -0.20 4.80 0.11 -1.95 0.30 132.00 135.02 1u1e h PRO 72 Ca 0.20 0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.18 1u1e h PRO 72 Cb 0.26 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1u1e h PRO 72 CO -0.29 -0.15 -0.48 0.66 -0.21 0.00 0.00 178.00 177.53 1u1e h SER 73 N -0.23 0.59 -0.97 -2.05 4.64 -1.81 -2.92 113.55 110.80 1u1e h SER 73 Ca 0.14 -0.29 0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1u1e h SER 73 Cb 0.44 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.30 1u1e h SER 73 CO -0.38 0.98 0.63 0.74 -0.87 0.00 0.00 176.83 177.93 1u1e h THR 74 N 0.43 1.12 -0.24 2.95 2.02 -1.08 -1.14 112.91 116.98 1u1e h THR 74 Ca 0.02 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.72 1u1e h THR 74 Cb 1.01 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1u1e h THR 74 CO 0.09 0.22 -0.18 0.77 0.37 0.00 0.00 175.52 176.78 1u1e h SER 75 N 1.18 0.40 -0.08 4.18 4.64 -0.24 -0.90 113.55 122.73 1u1e h SER 75 Ca 0.41 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.58 1u1e h SER 75 Cb 0.09 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1u1e h SER 75 CO -0.15 0.61 -0.08 0.40 -0.87 0.00 0.00 176.83 176.74 1u1e h ILE 76 N 0.38 1.36 -0.08 0.95 2.04 -1.25 -2.44 117.51 118.48 1u1e h ILE 76 Ca 0.07 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.71 1u1e h ILE 76 Cb 0.54 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1u1e h ILE 76 CO 0.04 0.34 0.00 0.00 0.00 0.00 0.00 178.15 178.53 1u1e h ALA 77 N 0.57 0.06 -0.25 1.87 0.00 -1.04 -1.67 119.26 118.80 1u1e h ALA 77 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1u1e h ALA 77 Cb 0.59 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1u1e h ALA 77 CO 0.02 -0.47 0.03 0.28 0.00 0.00 0.00 179.25 179.11 1u1e h VAL 78 N 0.03 1.24 -0.34 0.00 2.07 -1.25 -1.04 116.25 116.95 1u1e h VAL 78 Ca 0.03 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1u1e h VAL 78 Cb 0.04 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1u1e h VAL 78 CO -0.06 0.26 0.23 -0.08 0.02 0.00 0.00 177.57 177.94 1u1e h GLU 79 N 0.23 0.45 0.00 1.57 4.57 -1.40 -0.22 114.58 119.78 1u1e h GLU 79 Ca 0.08 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.10 1u1e h GLU 79 Cb 0.35 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1u1e h GLU 79 CO 0.01 0.30 -0.61 0.93 -1.18 0.00 0.00 179.01 178.46 1u1e h GLU 80 N 0.46 0.00 -0.23 1.92 5.08 -1.24 -0.55 114.58 120.02 1u1e h GLU 80 Ca 0.13 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 1u1e h GLU 80 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1u1e h GLU 80 CO -0.03 0.61 -0.48 -0.07 -1.00 0.00 0.00 179.01 178.03 1u1e h LEU 81 N 0.00 0.67 -0.89 1.33 3.38 -1.04 -2.66 115.31 116.11 1u1e h LEU 81 Ca -0.01 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 1u1e h LEU 81 Cb 1.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1u1e h LEU 81 CO 0.08 1.05 -0.06 0.00 0.09 0.00 0.00 178.44 179.59 1u1e h ALA 82 N 0.97 1.07 -0.15 1.53 0.00 -0.59 -0.99 119.26 121.10 1u1e h ALA 82 Ca 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1u1e h ALA 82 Cb 1.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1u1e h ALA 82 CO 0.10 0.58 -0.01 1.96 0.00 0.00 0.00 179.25 181.87 1u1e h GLN 83 N 0.69 0.22 -0.00 0.00 4.20 -1.04 -2.41 115.11 116.77 1u1e h GLN 83 Ca 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1u1e h GLN 83 Cb 0.52 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1u1e h GLN 83 CO 0.03 0.26 -0.19 1.28 -0.67 0.00 0.00 178.83 179.53 1u1e n LEU 84 N -4.39 0.68 0.00 1.46 4.77 -0.76 -4.93 117.00 113.82 1u1e n LEU 84 Ca -0.01 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1u1e n LEU 84 Cb 0.17 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1u1e n LEU 84 CO 0.36 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1u1e n GLY 85 N 1.33 1.22 3.71 -0.72 0.00 -0.70 -4.82 105.19 105.20 1u1e n GLY 85 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1u1e n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1e s ILE 86 N -2.00 4.35 -0.01 -0.61 -1.09 -0.46 -4.45 121.20 116.92 1u1e s ILE 86 Ca 0.00 1.68 0.09 0.00 -2.23 0.00 0.00 60.65 60.19 1u1e s ILE 86 Cb 0.00 -4.08 -0.13 0.00 -1.58 0.00 0.00 42.46 36.67 1u1e s ILE 86 CO 0.00 0.10 0.19 0.54 -1.23 0.00 0.00 174.94 174.53 1u1e n ARG 87 N 4.25 0.27 -4.85 2.79 5.12 0.12 -4.28 116.66 120.07 1u1e n ARG 87 Ca 0.09 -0.08 -0.28 0.00 -1.93 0.00 0.00 57.85 55.65 1u1e n ARG 87 Cb 0.48 -1.20 -0.17 0.00 -1.16 0.00 0.00 32.46 30.41 1u1e n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1e s THR 88 N -2.59 1.55 -0.10 0.55 2.01 -0.54 -1.57 115.64 114.94 1u1e s THR 88 Ca -0.03 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.28 1u1e s THR 88 Cb 0.05 -1.37 0.01 0.00 0.01 0.00 0.00 72.50 71.20 1u1e s THR 88 CO 0.36 0.45 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.19 1u1e s PHE 89 N 0.54 2.19 -0.23 4.92 0.40 0.66 -0.69 117.98 125.78 1u1e s PHE 89 Ca -0.16 -0.96 0.02 0.00 -0.60 0.00 0.00 56.93 55.22 1u1e s PHE 89 Cb -0.17 -1.52 0.04 0.00 0.51 0.00 0.00 43.02 41.88 1u1e s PHE 89 CO 0.06 -0.44 -0.14 -0.51 0.70 0.00 0.00 175.22 174.89 1u1e s LEU 90 N 0.67 2.87 -0.08 -0.37 1.43 -0.31 -0.34 118.68 122.55 1u1e s LEU 90 Ca -0.13 -1.02 -0.20 0.00 -1.03 0.00 0.00 54.13 51.75 1u1e s LEU 90 Cb -0.16 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1u1e s LEU 90 CO 0.03 -0.10 0.57 -0.60 0.23 0.00 0.00 176.35 176.48 1u1e s ARG 91 N 1.21 4.37 -0.14 1.70 3.52 0.39 -0.15 118.95 129.85 1u1e s ARG 91 Ca -0.02 0.64 0.01 0.00 -0.13 0.00 0.00 55.73 56.23 1u1e s ARG 91 Cb -0.17 -3.42 -0.00 0.00 -1.56 0.00 0.00 34.95 29.80 1u1e s ARG 91 CO -0.08 0.16 -0.16 -1.50 -0.81 0.00 0.00 175.30 172.91 1u1e s ILE 92 N 0.54 2.68 0.22 4.11 -1.16 -1.22 -1.20 121.20 125.16 1u1e s ILE 92 Ca 0.31 -0.78 0.05 0.00 -0.51 0.00 0.00 60.65 59.72 1u1e s ILE 92 Cb -0.16 -2.11 -0.02 0.00 0.61 0.00 0.00 42.46 40.77 1u1e s ILE 92 CO 0.14 0.52 0.18 0.61 -2.81 0.00 0.00 174.94 173.59 1u1e n GLY 93 N 3.85 3.30 3.74 1.50 0.00 -0.50 -4.01 105.19 113.06 1u1e n GLY 93 Ca -0.19 -1.82 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 1u1e n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1e s THR 94 N -2.88 4.05 0.04 2.61 -4.23 -1.26 -2.61 115.64 111.37 1u1e s THR 94 Ca 0.26 -1.43 -0.24 0.00 -1.18 0.00 0.00 61.69 59.11 1u1e s THR 94 Cb 0.01 -3.11 0.06 0.00 1.34 0.00 0.00 72.50 70.80 1u1e s THR 94 CO 0.18 -0.22 0.55 0.28 -0.54 0.00 0.00 174.62 174.87 1u1e s THR 95 N -1.95 0.02 -0.23 3.99 -1.32 -1.13 -4.81 115.64 110.22 1u1e s THR 95 Ca 0.30 -0.18 -0.07 0.00 -1.21 0.00 0.00 61.69 60.53 1u1e s THR 95 Cb -0.09 -0.98 -0.03 0.00 -1.51 0.00 0.00 72.50 69.90 1u1e s THR 95 CO 0.22 -0.10 0.05 -0.83 -2.21 0.00 0.00 174.62 171.74 1u1e s GLY 96 N -1.93 1.75 0.38 6.08 0.00 -1.08 -2.24 107.32 110.28 1u1e s GLY 96 Ca -0.06 -1.07 -0.23 0.00 0.00 0.00 0.00 44.72 43.36 1u1e s GLY 96 CO -0.01 0.43 0.95 0.00 0.00 0.00 0.00 173.10 174.46 1u1e s ALA 97 N 1.38 3.12 -0.26 3.20 0.00 0.48 -0.77 121.76 128.91 1u1e s ALA 97 Ca 0.05 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1u1e s ALA 97 Cb -0.15 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1u1e s ALA 97 CO 0.03 0.15 0.54 0.44 0.00 0.00 0.00 175.76 176.91 1u1e n ILE 98 N -0.09 0.00 -3.73 0.00 -5.35 0.03 -0.06 119.36 110.16 1u1e n ILE 98 Ca 0.05 -0.50 -0.37 0.00 -0.27 0.00 0.00 62.75 61.66 1u1e n ILE 98 Cb 0.52 1.04 -0.06 0.00 -1.74 0.00 0.00 39.64 39.40 1u1e n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1e s GLN 99 N -0.25 3.74 0.46 6.28 -1.52 -1.23 -4.76 119.66 122.38 1u1e s GLN 99 Ca 0.02 0.03 0.12 0.00 -1.95 0.00 0.00 55.36 53.58 1u1e s GLN 99 Cb 0.02 -3.25 1.04 0.00 -0.22 0.00 0.00 33.01 30.60 1u1e s GLN 99 CO 0.03 0.64 2.06 -1.35 -0.25 0.00 0.00 175.29 176.42 1u1e h PRO 100 N 5.30 0.18 0.00 2.91 0.11 -1.96 -2.87 132.00 135.67 1u1e h PRO 100 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1u1e h PRO 100 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1u1e h PRO 100 CO 0.63 0.18 -0.09 -2.39 -0.21 0.00 0.00 178.00 176.12 1u1e n HIS 101 N -4.45 0.60 -3.25 0.65 1.44 -1.26 -4.72 115.22 104.24 1u1e n HIS 101 Ca -0.01 0.17 -0.40 0.00 -2.01 0.00 0.00 57.72 55.47 1u1e n HIS 101 Cb 0.14 -0.76 -0.08 0.00 0.12 0.00 0.00 29.99 29.41 1u1e n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1e s ILE 102 N -3.08 5.05 0.37 0.61 1.01 -1.08 -5.07 121.20 119.01 1u1e s ILE 102 Ca 0.11 0.63 0.03 0.00 0.00 0.00 0.00 60.65 61.42 1u1e s ILE 102 Cb 0.14 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 1u1e s ILE 102 CO 0.60 -0.04 0.55 0.20 0.00 0.00 0.00 174.94 176.25 1u1e s ASN 103 N 1.65 6.01 0.13 3.58 0.02 -1.26 -4.85 114.94 120.22 1u1e s ASN 103 Ca 0.20 0.14 -0.31 0.00 -1.02 0.00 0.00 52.86 51.87 1u1e s ASN 103 Cb -0.15 -1.56 -0.09 0.00 0.02 0.00 0.00 41.25 39.47 1u1e s ASN 103 CO 0.11 -0.48 1.52 -0.69 0.02 0.00 0.00 177.10 177.58 1u1e s VAL 104 N -2.33 2.90 0.00 1.60 1.01 -1.26 -2.29 120.40 120.03 1u1e s VAL 104 Ca 0.44 0.62 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1u1e s VAL 104 Cb -0.10 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1u1e s VAL 104 CO 0.34 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1u1e n GLY 105 N 3.70 0.87 3.75 4.51 0.00 0.62 -5.02 105.19 113.63 1u1e n GLY 105 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1u1e n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1e s ASP 106 N -1.86 4.15 -0.09 1.61 1.11 -0.97 -4.80 116.67 115.82 1u1e s ASP 106 Ca 0.00 1.66 0.04 0.00 0.18 0.00 0.00 52.55 54.43 1u1e s ASP 106 Cb 0.00 -2.36 -0.01 0.00 1.07 0.00 0.00 42.92 41.62 1u1e s ASP 106 CO 0.00 -2.24 -0.21 0.54 1.18 0.00 0.00 175.17 174.44 1u1e s VAL 107 N -2.93 2.35 -0.17 -1.27 0.11 -0.20 -1.46 120.40 116.82 1u1e s VAL 107 Ca 0.62 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1u1e s VAL 107 Cb -0.17 -1.91 0.00 0.00 -1.53 0.00 0.00 36.38 32.78 1u1e s VAL 107 CO 0.56 0.56 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.98 1u1e s LEU 108 N 0.10 2.43 -0.21 2.54 1.43 0.79 -2.03 118.68 123.73 1u1e s LEU 108 Ca -0.10 -0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 52.41 1u1e s LEU 108 Cb -0.16 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1u1e s LEU 108 CO 0.06 0.05 0.09 -0.69 0.23 0.00 0.00 176.35 176.09 1u1e s VAL 109 N 1.01 4.87 -0.25 -1.59 1.01 -0.85 -1.30 120.40 123.30 1u1e s VAL 109 Ca -0.02 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 1u1e s VAL 109 Cb -0.15 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1u1e s VAL 109 CO -0.04 0.40 0.49 -0.89 0.00 0.00 0.00 175.10 175.07 1u1e s THR 110 N 0.82 5.09 -0.03 3.92 2.01 -0.60 -2.49 115.64 124.36 1u1e s THR 110 Ca 0.05 0.83 -0.22 0.00 0.31 0.00 0.00 61.69 62.66 1u1e s THR 110 Cb -0.13 -3.81 -0.25 0.00 0.01 0.00 0.00 72.50 68.32 1u1e s THR 110 CO 0.02 0.11 1.03 0.71 -0.69 0.00 0.00 174.62 175.81 1u1e h THR 111 N 5.36 1.49 -3.05 -0.82 1.35 -1.43 -3.41 112.91 112.40 1u1e h THR 111 Ca -0.30 -2.11 -0.02 0.00 -0.55 0.00 0.00 66.41 63.42 1u1e h THR 111 Cb 1.15 2.77 -0.12 0.00 -1.73 0.00 0.00 68.15 70.22 1u1e h THR 111 CO 0.71 0.60 0.17 0.00 -0.25 0.00 0.00 175.52 176.75 1u1e s ALA 112 N -3.03 -1.50 0.02 6.62 0.00 -1.25 -0.58 121.76 122.04 1u1e s ALA 112 Ca -0.14 0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.28 1u1e s ALA 112 Cb 0.02 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 1u1e s ALA 112 CO 0.79 -0.76 -0.21 -1.12 0.00 0.00 0.00 175.76 174.46 1u1e s SER 113 N -2.76 3.58 -0.00 0.00 0.01 0.14 -2.05 113.70 112.62 1u1e s SER 113 Ca 0.02 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 56.54 1u1e s SER 113 Cb -0.01 -0.54 -0.05 0.00 0.21 0.00 0.00 66.02 65.63 1u1e s SER 113 CO -0.12 0.28 1.37 -0.69 0.41 0.00 0.00 173.24 174.49 1u1e s VAL 114 N -0.82 3.77 -1.15 3.43 1.01 0.14 -4.33 120.40 122.45 1u1e s VAL 114 Ca 0.13 1.16 -0.16 0.00 0.00 0.00 0.00 61.98 63.10 1u1e s VAL 114 Cb -0.10 -3.74 0.14 0.00 0.00 0.00 0.00 36.38 32.67 1u1e s VAL 114 CO 0.03 0.00 1.42 -0.13 0.00 0.00 0.00 175.10 176.42 1u1e s ARG 115 N 2.30 3.93 -0.52 2.72 0.52 -1.26 -1.63 118.95 125.01 1u1e s ARG 115 Ca 0.63 -2.20 0.02 0.00 -0.52 0.00 0.00 55.73 53.66 1u1e s ARG 115 Cb -0.31 -5.14 0.58 0.00 0.52 0.00 0.00 34.95 30.61 1u1e s ARG 115 CO 0.26 -1.89 1.95 1.28 0.02 0.00 0.00 175.30 176.92 1u1e n LEU 116 N 6.56 7.02 -4.64 2.53 4.77 -0.61 -4.95 117.00 127.68 1u1e n LEU 116 Ca 0.36 -3.87 -0.29 0.00 -0.03 0.00 0.00 56.01 52.18 1u1e n LEU 116 Cb 0.45 -0.88 -0.09 0.00 -2.33 0.00 0.00 43.42 40.57 1u1e n LEU 116 CO 0.63 1.22 -0.26 1.51 -1.33 0.00 0.00 177.39 179.15 1u1e s ASP 117 N -1.54 3.62 -0.13 -1.43 -4.77 -1.23 -1.23 116.67 109.96 1u1e s ASP 117 Ca 0.60 -1.52 0.12 0.00 -3.30 0.00 0.00 52.55 48.45 1u1e s ASP 117 Cb 0.49 0.11 -0.17 0.00 -1.09 0.00 0.00 42.92 42.26 1u1e s ASP 117 CO 0.06 -0.69 0.05 0.61 0.70 0.00 0.00 175.17 175.90 1u1e n GLY 118 N -1.03 -0.66 0.25 2.12 0.00 -1.26 -4.68 105.19 99.92 1u1e n GLY 118 Ca -0.10 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 1u1e n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1e h ALA 119 N 0.66 1.04 -0.71 4.61 0.00 -1.98 -2.86 119.26 120.03 1u1e h ALA 119 Ca -0.37 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.29 1u1e h ALA 119 Cb 1.83 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 1u1e h ALA 119 CO 0.02 0.58 0.47 0.66 0.00 0.00 0.00 179.25 180.97 1u1e h SER 120 N 0.53 0.58 0.40 0.00 4.64 -1.85 -0.88 113.55 116.98 1u1e h SER 120 Ca 0.08 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1u1e h SER 120 Cb 0.65 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1u1e h SER 120 CO 0.05 0.36 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.27 1u1e h LEU 121 N 0.66 0.00 0.00 5.97 3.38 -1.61 -2.01 115.31 121.69 1u1e h LEU 121 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1u1e h LEU 121 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1u1e h LEU 121 CO -0.11 0.04 0.00 1.41 0.09 0.00 0.00 178.44 179.87 1u1e n HIS 122 N -3.28 0.00 0.00 1.13 8.25 -0.33 -3.80 115.22 117.19 1u1e n HIS 122 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1u1e n HIS 122 Cb 0.19 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1u1e n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1e n PHE 123 N -1.18 0.00 -3.71 4.41 3.01 -0.85 -5.08 117.46 114.06 1u1e n PHE 123 Ca 0.17 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.49 1u1e n PHE 123 Cb 0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.56 1u1e n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1e s ALA 124 N -1.99 -1.05 0.88 4.37 0.00 -0.82 -5.02 121.76 118.14 1u1e s ALA 124 Ca 0.00 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 1u1e s ALA 124 Cb 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 23.12 22.91 1u1e s ALA 124 CO 0.00 -0.24 1.14 -1.25 0.00 0.00 0.00 175.76 175.41 1u1e s PRO 125 N -0.52 1.31 0.47 0.00 0.04 -1.26 -3.86 135.00 131.19 1u1e s PRO 125 Ca -0.06 1.49 0.20 0.00 0.04 0.00 0.00 61.00 62.67 1u1e s PRO 125 Cb -0.03 -1.77 1.20 0.00 0.04 0.00 0.00 34.50 33.94 1u1e s PRO 125 CO 0.03 -2.40 1.95 1.25 0.04 0.00 0.00 177.00 177.86 1u1e h LEU 126 N -1.65 0.23 -2.14 -3.56 5.85 -1.93 -1.32 115.31 110.79 1u1e h LEU 126 Ca -0.43 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1u1e h LEU 126 Cb 1.26 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1u1e h LEU 126 CO 0.44 0.12 -0.07 1.05 -0.34 0.00 0.00 178.44 179.63 1u1e h GLU 127 N 0.24 0.00 -6.54 1.25 9.09 -2.03 -3.43 114.58 113.16 1u1e h GLU 127 Ca 0.33 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.21 1u1e h GLU 127 Cb 0.96 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.08 1u1e h GLU 127 CO -0.07 0.07 0.68 0.12 0.05 0.00 0.00 179.01 179.86 1u1e s PHE 128 N -4.37 3.30 0.09 2.06 2.19 -0.50 -4.98 117.98 115.76 1u1e s PHE 128 Ca -0.04 1.07 -0.30 0.00 0.33 0.00 0.00 56.93 57.98 1u1e s PHE 128 Cb 0.14 -3.61 -0.06 0.00 -1.31 0.00 0.00 43.02 38.18 1u1e s PHE 128 CO 0.57 -2.06 1.21 -1.25 1.83 0.00 0.00 175.22 175.52 1u1e s PRO 129 N 0.97 4.44 -1.37 10.12 0.04 -1.26 -4.94 135.00 143.01 1u1e s PRO 129 Ca 0.62 1.81 -0.16 0.00 0.04 0.00 0.00 61.00 63.31 1u1e s PRO 129 Cb -0.35 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 30.90 1u1e s PRO 129 CO 0.31 -0.23 2.11 0.00 0.04 0.00 0.00 177.00 179.23 1u1e n ALA 130 N 3.62 4.93 -2.76 8.56 0.00 -1.26 -4.73 120.51 128.87 1u1e n ALA 130 Ca 0.08 -3.81 -0.35 0.00 0.00 0.00 0.00 53.44 49.36 1u1e n ALA 130 Cb 0.46 -3.56 -0.09 0.00 0.00 0.00 0.00 19.45 16.26 1u1e n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1e s VAL 131 N 3.69 4.54 0.57 0.00 0.11 -1.26 -0.68 120.40 127.37 1u1e s VAL 131 Ca 0.50 -0.15 -0.17 0.00 -2.93 0.00 0.00 61.98 59.23 1u1e s VAL 131 Cb 0.12 -2.95 -0.04 0.00 -1.53 0.00 0.00 36.38 31.97 1u1e s VAL 131 CO -0.04 0.57 1.07 0.00 -3.33 0.00 0.00 175.10 173.37 1u1e s ALA 132 N -0.56 2.73 0.23 1.54 0.00 0.25 -4.68 121.76 121.28 1u1e s ALA 132 Ca 0.10 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 1u1e s ALA 132 Cb -0.12 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 1u1e s ALA 132 CO 0.02 -0.75 1.45 0.34 0.00 0.00 0.00 175.76 176.82 1u1e s ASP 133 N -2.49 6.66 0.21 0.00 2.15 0.46 -4.91 116.67 118.74 1u1e s ASP 133 Ca 0.66 2.65 -0.09 0.00 0.43 0.00 0.00 52.55 56.19 1u1e s ASP 133 Cb -0.17 -2.62 0.15 0.00 -0.30 0.00 0.00 42.92 39.98 1u1e s ASP 133 CO 0.33 -0.71 1.82 0.15 -0.17 0.00 0.00 175.17 176.59 1u1e h PHE 134 N 5.29 1.07 -0.41 -5.34 3.04 -1.95 0.25 116.94 118.88 1u1e h PHE 134 Ca -0.45 -0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.36 1u1e h PHE 134 Cb 1.22 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 1u1e h PHE 134 CO 0.61 0.76 -0.16 0.93 -2.02 0.00 0.00 178.31 178.43 1u1e h GLU 135 N 1.07 0.77 -0.33 1.11 5.08 -1.96 -0.11 114.58 120.21 1u1e h GLU 135 Ca 0.27 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1u1e h GLU 135 Cb 0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1u1e h GLU 135 CO -0.04 0.88 -0.14 0.00 -1.00 0.00 0.00 179.01 178.71 1u1e h THR 137 N 0.45 1.18 -0.50 0.00 2.02 -0.84 -2.04 112.91 113.18 1u1e h THR 137 Ca 0.08 -0.49 0.03 0.00 0.77 0.00 0.00 66.41 66.80 1u1e h THR 137 Cb 0.67 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1u1e h THR 137 CO 0.05 0.19 0.27 0.74 0.37 0.00 0.00 175.52 177.14 1u1e h THR 138 N 0.59 1.00 -0.78 3.16 2.02 -0.96 -1.84 112.91 116.10 1u1e h THR 138 Ca 0.16 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 1u1e h THR 138 Cb 0.10 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1u1e h THR 138 CO -0.02 0.10 0.34 0.00 0.37 0.00 0.00 175.52 176.30 1u1e h ALA 139 N 1.25 1.01 -0.34 6.16 0.00 -1.15 -0.21 119.26 125.97 1u1e h ALA 139 Ca 0.21 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1u1e h ALA 139 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1u1e h ALA 139 CO -0.12 0.61 -0.21 -0.07 0.00 0.00 0.00 179.25 179.46 1u1e h LEU 140 N 1.12 0.77 -0.62 0.00 3.38 -1.13 0.11 115.31 118.94 1u1e h LEU 140 Ca 0.26 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1u1e h LEU 140 Cb 0.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1u1e h LEU 140 CO -0.03 1.03 -0.01 0.58 0.09 0.00 0.00 178.44 180.11 1u1e h VAL 141 N 0.52 1.27 -0.37 1.22 2.07 -1.25 -0.88 116.25 118.82 1u1e h VAL 141 Ca 0.07 -1.17 -0.12 0.00 0.82 0.00 0.00 66.70 66.30 1u1e h VAL 141 Cb 0.76 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1u1e h VAL 141 CO 0.06 0.42 -0.26 -0.33 0.02 0.00 0.00 177.57 177.48 1u1e h GLU 142 N 0.98 0.76 -0.49 1.57 5.08 -0.94 -2.36 114.58 119.18 1u1e h GLU 142 Ca 0.17 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 1u1e h GLU 142 Cb 0.57 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1u1e h GLU 142 CO 0.03 0.94 -0.16 0.00 -1.00 0.00 0.00 179.01 178.82 1u1e h ALA 143 N 1.05 0.79 -0.73 3.43 0.00 -0.61 -1.31 119.26 121.88 1u1e h ALA 143 Ca 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1u1e h ALA 143 Cb 0.78 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1u1e h ALA 143 CO 0.06 0.66 0.31 0.00 0.00 0.00 0.00 179.25 180.28 1u1e h ALA 144 N 0.97 1.17 -0.13 0.00 0.00 -1.07 -2.29 119.26 117.92 1u1e h ALA 144 Ca 0.12 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1u1e h ALA 144 Cb 0.71 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1u1e h ALA 144 CO 0.05 0.61 -0.53 0.87 0.00 0.00 0.00 179.25 180.26 1u1e h LYS 145 N 1.05 0.36 0.10 0.00 1.57 -1.29 -1.77 116.57 116.58 1u1e h LYS 145 Ca 0.25 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1u1e h LYS 145 Cb 0.17 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1u1e h LYS 145 CO -0.02 0.80 -0.05 1.03 -0.57 0.00 0.00 179.45 180.64 1u1e h SER 146 N 0.28 -0.11 0.63 0.86 0.87 -0.76 -3.15 113.55 112.16 1u1e h SER 146 Ca 0.01 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1u1e h SER 146 Cb 1.02 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1u1e h SER 146 CO 0.09 0.15 -0.46 2.30 -0.53 0.00 0.00 176.83 178.38 1u1e n ILE 147 N -5.03 0.07 -0.63 2.23 -5.35 -0.91 -5.03 119.36 104.70 1u1e n ILE 147 Ca -0.08 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1u1e n ILE 147 Cb 0.18 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 1u1e n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u1e n GLY 148 N 1.47 -1.99 3.41 3.28 0.00 -0.70 -5.10 105.19 105.56 1u1e n GLY 148 Ca 0.05 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 1u1e n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1e s ALA 149 N 0.00 -1.53 -0.56 4.61 0.00 -1.01 -4.98 121.76 118.29 1u1e s ALA 149 Ca 0.00 0.43 -0.26 0.00 0.00 0.00 0.00 51.96 52.14 1u1e s ALA 149 Cb 0.00 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.02 1u1e s ALA 149 CO 0.00 -0.76 1.04 0.99 0.00 0.00 0.00 175.76 177.03 1u1e s THR 150 N -3.75 4.25 -0.06 0.00 2.01 -1.26 -4.87 115.64 111.96 1u1e s THR 150 Ca 0.01 0.52 0.02 0.00 0.31 0.00 0.00 61.69 62.56 1u1e s THR 150 Cb -0.01 -4.61 -0.03 0.00 0.01 0.00 0.00 72.50 67.87 1u1e s THR 150 CO -0.13 -1.19 -0.12 -0.89 -0.69 0.00 0.00 174.62 171.60 1u1e s THR 151 N 4.32 3.27 -0.05 -0.82 2.01 -1.26 -1.04 115.64 122.07 1u1e s THR 151 Ca 0.35 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.75 1u1e s THR 151 Cb -0.11 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.10 1u1e s THR 151 CO 0.22 0.59 -0.16 -1.00 -0.69 0.00 0.00 174.62 173.58 1u1e s HIS 152 N -0.64 1.66 -0.13 4.92 3.76 -0.86 -4.99 115.29 119.00 1u1e s HIS 152 Ca 0.10 -0.54 -0.01 0.00 -0.15 0.00 0.00 55.06 54.46 1u1e s HIS 152 Cb -0.11 -1.15 -0.02 0.00 1.11 0.00 0.00 32.58 32.41 1u1e s HIS 152 CO 0.01 -0.22 -0.11 0.08 -0.85 0.00 0.00 174.74 173.65 1u1e s VAL 153 N 0.28 3.27 -2.38 -0.90 1.01 -1.26 -2.00 120.40 118.41 1u1e s VAL 153 Ca -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1u1e s VAL 153 Cb -0.13 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1u1e s VAL 153 CO 0.03 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1u1e n GLY 154 N 3.44 -0.66 3.81 4.51 0.00 -1.04 -4.98 105.19 110.28 1u1e n GLY 154 Ca -0.18 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 1u1e n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1e s VAL 155 N -4.00 5.22 -0.08 1.61 1.01 -1.26 -1.06 120.40 121.85 1u1e s VAL 155 Ca 0.00 0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.62 1u1e s VAL 155 Cb 0.00 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1u1e s VAL 155 CO 0.00 0.53 -0.16 -0.89 0.00 0.00 0.00 175.10 174.58 1u1e s THR 156 N -0.59 2.90 -0.30 3.92 2.01 -0.87 -0.92 115.64 121.80 1u1e s THR 156 Ca 0.20 -0.76 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 1u1e s THR 156 Cb -0.15 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.22 1u1e s THR 156 CO 0.08 0.57 0.84 0.00 -0.69 0.00 0.00 174.62 175.42 1u1e s ALA 157 N -0.31 3.54 -0.37 7.40 0.00 -0.09 0.24 121.76 132.17 1u1e s ALA 157 Ca 0.02 -0.32 -0.07 0.00 0.00 0.00 0.00 51.96 51.59 1u1e s ALA 157 Cb -0.13 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.69 1u1e s ALA 157 CO 0.03 -1.21 0.17 0.45 0.00 0.00 0.00 175.76 175.19 1u1e s SER 158 N 1.58 5.42 0.02 0.00 0.15 -0.64 -1.93 113.70 118.31 1u1e s SER 158 Ca 0.35 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.65 1u1e s SER 158 Cb -0.14 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 1u1e s SER 158 CO 0.12 -0.42 0.11 -0.55 1.20 0.00 0.00 173.24 173.71 1u1e s SER 159 N 1.68 5.84 0.00 5.45 0.15 0.03 -1.57 113.70 125.28 1u1e s SER 159 Ca 0.01 0.15 0.26 0.00 0.70 0.00 0.00 55.95 57.08 1u1e s SER 159 Cb -0.21 -1.69 1.14 0.00 -1.71 0.00 0.00 66.02 63.55 1u1e s SER 159 CO 0.02 0.23 1.85 0.47 1.20 0.00 0.00 173.24 177.01 1u1e n ASP 160 N 0.85 0.00 -4.24 5.45 9.92 -0.37 -4.37 116.55 123.79 1u1e n ASP 160 Ca -0.11 0.48 -0.16 0.00 -0.53 0.00 0.00 54.79 54.47 1u1e n ASP 160 Cb 0.52 -0.49 -0.11 0.00 -0.64 0.00 0.00 41.12 40.40 1u1e n ASP 160 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1u1e s THR 161 N -2.99 1.24 0.03 -3.53 -4.23 -1.26 -5.01 115.64 99.89 1u1e s THR 161 Ca 0.13 -1.81 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1u1e s THR 161 Cb 0.17 -1.60 -0.24 0.00 1.34 0.00 0.00 72.50 72.17 1u1e s THR 161 CO 0.48 -0.53 0.94 0.15 -0.54 0.00 0.00 174.62 175.11 1u1e h PHE 162 N 3.29 0.19 0.00 3.99 3.57 -1.97 -3.39 116.94 122.63 1u1e h PHE 162 Ca -0.38 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 60.98 1u1e h PHE 162 Cb 1.20 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1u1e h PHE 162 CO 0.65 1.16 0.00 0.66 -2.23 0.00 0.00 178.31 178.56 1u1e n TYR 163 N -3.31 0.00 -0.06 0.41 4.02 -1.26 -4.28 117.16 112.67 1u1e n TYR 163 Ca -0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.70 1u1e n TYR 163 Cb 1.01 -0.01 0.09 0.00 -0.02 0.00 0.00 39.34 40.41 1u1e n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1e h PRO 164 N 0.00 0.72 0.00 -0.72 0.13 -1.88 0.17 132.00 130.43 1u1e h PRO 164 Ca 0.00 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1u1e h PRO 164 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 1u1e h PRO 164 CO 0.00 0.93 0.00 0.78 -0.23 0.00 0.00 178.00 179.48 1u1e h GLY 165 N 0.97 0.00 -1.48 1.56 0.00 -1.86 -0.87 103.07 101.39 1u1e h GLY 165 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1u1e h GLY 165 CO 0.07 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.55 1u1e n GLN 166 N -2.52 2.93 -3.75 4.80 6.02 -1.06 -4.94 117.38 118.87 1u1e n GLN 166 Ca 0.01 -2.46 -0.22 0.00 -0.01 0.00 0.00 57.00 54.32 1u1e n GLN 166 Cb 0.20 -1.57 0.02 0.00 1.02 0.00 0.00 30.24 29.91 1u1e n GLN 166 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1u1e n GLU 167 N 0.03 -4.61 -3.30 -1.09 1.02 -0.33 -4.94 120.64 107.43 1u1e n GLU 167 Ca 0.17 0.58 -0.38 0.00 -0.02 0.00 0.00 57.16 57.50 1u1e n GLU 167 Cb 0.67 -5.06 -0.06 0.00 -0.02 0.00 0.00 31.44 26.96 1u1e n GLU 167 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1u1e s ARG 168 N -6.09 4.25 -0.01 3.49 0.52 0.56 -4.96 118.95 116.71 1u1e s ARG 168 Ca 0.01 0.40 0.18 0.00 -0.52 0.00 0.00 55.73 55.80 1u1e s ARG 168 Cb -0.00 -3.50 -0.23 0.00 0.52 0.00 0.00 34.95 31.73 1u1e s ARG 168 CO 0.83 0.00 0.58 0.66 0.02 0.00 0.00 175.30 177.38 1u1e n TYR 169 N 4.25 0.00 -1.59 -0.53 4.02 -1.26 -4.40 117.16 117.65 1u1e n TYR 169 Ca -0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.41 1u1e n TYR 169 Cb 0.51 -0.19 -0.01 0.00 -0.02 0.00 0.00 39.34 39.63 1u1e n TYR 169 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1u1e n ASP 170 N -1.74 4.37 -4.02 7.72 2.03 -1.26 -4.20 116.55 119.44 1u1e n ASP 170 Ca 0.00 -2.78 -0.25 0.00 0.52 0.00 0.00 54.79 52.28 1u1e n ASP 170 Cb 0.36 -1.57 -0.08 0.00 -0.72 0.00 0.00 41.12 39.11 1u1e n ASP 170 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1u1e s THR 171 N 3.28 0.51 0.14 5.18 -4.23 -1.26 -5.02 115.64 114.24 1u1e s THR 171 Ca 0.51 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.84 1u1e s THR 171 Cb 0.14 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 1u1e s THR 171 CO -0.06 0.00 1.79 0.22 -0.54 0.00 0.00 174.62 176.03 1u1e h TYR 172 N 1.81 0.38 0.04 3.99 5.03 -1.99 -3.17 116.97 123.07 1u1e h TYR 172 Ca -0.34 0.01 -0.27 0.00 2.58 0.00 0.00 58.73 60.72 1u1e h TYR 172 Cb 1.27 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 39.40 1u1e h TYR 172 CO 1.57 0.23 -1.38 0.66 -1.32 0.00 0.00 178.16 177.92 1u1e h SER 173 N 0.41 0.13 -0.21 -2.11 4.64 -1.97 -3.48 113.55 110.97 1u1e h SER 173 Ca 0.12 -0.19 -0.09 0.00 -0.47 0.00 0.00 61.79 61.16 1u1e h SER 173 Cb -0.03 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 1u1e h SER 173 CO -0.04 1.16 -0.08 0.61 -0.87 0.00 0.00 176.83 177.60 1u1e n GLY 174 N 1.52 0.67 3.39 -0.77 0.00 -1.20 -5.01 105.19 103.79 1u1e n GLY 174 Ca -0.10 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 1u1e n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1e s ARG 175 N -1.79 1.42 -0.08 1.61 1.70 -1.26 -4.93 118.95 115.63 1u1e s ARG 175 Ca 0.00 -1.46 0.02 0.00 -0.47 0.00 0.00 55.73 53.83 1u1e s ARG 175 Cb 0.00 -1.69 0.01 0.00 -0.57 0.00 0.00 34.95 32.70 1u1e s ARG 175 CO 0.00 0.37 -0.14 0.08 -1.08 0.00 0.00 175.30 174.53 1u1e s VAL 176 N -1.67 1.28 0.49 4.99 1.01 -1.26 -4.92 120.40 120.33 1u1e s VAL 176 Ca 0.18 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 1u1e s VAL 176 Cb -0.08 -1.16 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 1u1e s VAL 176 CO 0.08 0.39 0.81 0.55 0.00 0.00 0.00 175.10 176.93 1u1e n VAL 177 N 3.85 2.56 -0.29 2.92 3.14 -1.26 -4.55 118.33 124.70 1u1e n VAL 177 Ca -0.22 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 60.77 1u1e n VAL 177 Cb 0.52 -0.94 0.25 0.00 -1.06 0.00 0.00 33.84 32.61 1u1e n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1e h ARG 178 N 0.89 0.20 -0.47 1.45 2.43 -2.00 -0.49 114.38 116.38 1u1e h ARG 178 Ca -0.45 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 58.81 1u1e h ARG 178 Cb 1.37 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 1u1e h ARG 178 CO 0.52 0.13 0.33 1.25 -1.51 0.00 0.00 179.97 180.69 1u1e h HIS 179 N 0.20 0.20 -0.01 2.20 2.76 -2.02 -2.67 115.15 115.81 1u1e h HIS 179 Ca 0.51 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.69 1u1e h HIS 179 Cb 0.99 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.89 1u1e h HIS 179 CO -0.29 0.09 -0.34 1.19 -1.30 0.00 0.00 177.93 177.28 1u1e n PHE 180 N -4.45 0.00 -2.06 5.26 3.01 -0.26 -4.79 117.46 114.18 1u1e n PHE 180 Ca 0.08 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.11 1u1e n PHE 180 Cb 0.41 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.86 1u1e n PHE 180 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1u1e s LYS 181 N -1.80 4.20 0.00 -1.08 2.20 -0.78 -1.92 119.74 120.56 1u1e s LYS 181 Ca 0.11 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1u1e s LYS 181 Cb 0.11 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1u1e s LYS 181 CO 0.38 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1u1e n GLY 182 N 4.01 0.62 0.23 5.54 0.00 -1.26 -4.95 105.19 109.38 1u1e n GLY 182 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1u1e n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1e h SER 183 N 0.00 0.76 -0.54 1.61 4.64 -1.69 -3.05 113.55 115.28 1u1e h SER 183 Ca 0.00 -0.41 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1u1e h SER 183 Cb 0.00 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 1u1e h SER 183 CO 0.00 1.16 0.32 -0.03 -0.87 0.00 0.00 176.83 177.42 1u1e h MET 184 N 0.52 0.74 -0.86 4.77 -1.53 -1.92 -1.36 114.93 115.29 1u1e h MET 184 Ca 0.01 -0.07 0.04 0.00 -3.44 0.00 0.00 59.70 56.24 1u1e h MET 184 Cb 1.13 -0.15 -0.05 0.00 -0.55 0.00 0.00 31.60 31.98 1u1e h MET 184 CO 0.11 0.54 0.57 1.49 0.14 0.00 0.00 176.91 179.76 1u1e h GLU 185 N 0.73 1.02 -0.25 0.39 4.81 -1.97 -0.17 114.58 119.15 1u1e h GLU 185 Ca 0.19 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1u1e h GLU 185 Cb -0.00 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1u1e h GLU 185 CO -0.04 0.68 -0.06 0.93 -0.73 0.00 0.00 179.01 179.79 1u1e h GLU 186 N 1.06 0.49 -0.69 1.92 4.39 -1.30 -1.45 114.58 118.99 1u1e h GLU 186 Ca 0.35 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 1u1e h GLU 186 Cb 0.06 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1u1e h GLU 186 CO -0.11 0.71 0.18 -1.49 -1.16 0.00 0.00 179.01 177.14 1u1e h TRP 187 N 0.23 1.13 -0.24 4.33 -0.00 -1.01 -1.77 115.95 118.62 1u1e h TRP 187 Ca 0.06 -0.12 0.03 0.00 -0.00 0.00 0.00 58.89 58.86 1u1e h TRP 187 Cb 0.53 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.16 29.34 1u1e h TRP 187 CO 0.05 0.91 0.04 1.96 -0.00 0.00 0.00 178.44 181.41 1u1e h GLN 188 N 1.04 0.13 0.00 0.49 4.20 -0.95 -1.09 115.11 118.93 1u1e h GLN 188 Ca 0.22 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 1u1e h GLN 188 Cb 0.34 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1u1e h GLN 188 CO -0.00 0.08 -0.16 0.00 -0.67 0.00 0.00 178.83 178.09 1u1e h ALA 189 N 1.18 1.74 -0.02 3.87 0.00 -1.03 -2.12 119.26 122.87 1u1e h ALA 189 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u1e h ALA 189 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1u1e h ALA 189 CO -0.15 0.19 0.00 -1.33 0.00 0.00 0.00 179.25 177.97 1u1e n MET 190 N -4.35 1.35 -0.85 0.00 2.81 -0.69 -4.91 117.12 110.48 1u1e n MET 190 Ca -0.03 -0.51 0.00 0.00 -1.81 0.00 0.00 57.70 55.35 1u1e n MET 190 Cb 0.22 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1u1e n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1e n GLY 191 N 1.06 0.54 3.74 3.03 0.00 -0.80 -5.02 105.19 107.74 1u1e n GLY 191 Ca 0.20 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1u1e n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1e s VAL 192 N -2.00 2.69 0.02 1.61 1.01 -0.47 -4.65 120.40 118.61 1u1e s VAL 192 Ca 0.00 0.55 -0.16 0.00 0.00 0.00 0.00 61.98 62.37 1u1e s VAL 192 Cb 0.00 -3.35 -0.35 0.00 0.00 0.00 0.00 36.38 32.67 1u1e s VAL 192 CO 0.00 0.08 0.98 0.24 0.00 0.00 0.00 175.10 176.39 1u1e h MET 193 N 5.51 0.53 -2.65 2.72 0.00 -1.35 -3.41 114.93 116.27 1u1e h MET 193 Ca -0.45 -0.90 0.12 0.00 0.00 0.00 0.00 59.70 58.47 1u1e h MET 193 Cb 1.21 0.33 -0.07 0.00 0.00 0.00 0.00 31.60 33.08 1u1e h MET 193 CO 0.81 1.43 0.37 0.54 0.00 0.00 0.00 176.91 180.06 1u1e s ASN 194 N -7.54 -0.23 -0.09 1.22 6.03 -1.26 -0.79 114.94 112.28 1u1e s ASN 194 Ca -0.10 -0.48 0.02 0.00 -1.03 0.00 0.00 52.86 51.28 1u1e s ASN 194 Cb 0.04 0.60 -0.02 0.00 -3.03 0.00 0.00 41.25 38.84 1u1e s ASN 194 CO 0.94 -1.10 -0.15 -0.31 -2.03 0.00 0.00 177.10 174.45 1u1e s TYR 195 N -3.57 2.73 0.00 1.54 1.51 0.05 -0.92 117.35 118.68 1u1e s TYR 195 Ca 0.11 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1u1e s TYR 195 Cb -0.03 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1u1e s TYR 195 CO 0.04 -0.09 0.00 -0.85 -1.11 0.00 0.00 175.55 173.54 1u1e n GLU 196 N 3.07 0.00 0.00 -0.62 -0.00 -0.81 -2.63 120.64 119.64 1u1e n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1u1e n GLU 196 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 1u1e n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1e n MET 197 N 0.00 -0.04 0.00 3.44 2.81 -1.26 -0.79 117.12 121.29 1u1e n MET 197 Ca 0.00 -0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.52 1u1e n MET 197 Cb 0.00 -0.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.80 1u1e n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1e n GLU 198 N -0.05 2.87 -0.21 0.03 4.71 -1.26 -3.49 120.64 123.25 1u1e n GLU 198 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 1u1e n GLU 198 Cb 0.20 -0.73 0.02 0.00 -1.01 0.00 0.00 31.44 29.92 1u1e n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1e h SER 199 N 0.00 0.87 -0.65 1.62 4.64 -1.94 -1.58 113.55 116.51 1u1e h SER 199 Ca 0.00 -0.22 0.07 0.00 -0.47 0.00 0.00 61.79 61.16 1u1e h SER 199 Cb 0.00 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 61.80 1u1e h SER 199 CO 0.00 0.86 0.34 0.00 -0.87 0.00 0.00 176.83 177.17 1u1e h ALA 200 N 1.03 0.87 0.23 5.18 0.00 -1.87 0.28 119.26 124.98 1u1e h ALA 200 Ca 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1u1e h ALA 200 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1u1e h ALA 200 CO -0.00 -0.01 -0.11 1.15 0.00 0.00 0.00 179.25 180.28 1u1e h THR 201 N 0.62 0.84 0.12 0.00 2.02 -1.87 -2.10 112.91 112.55 1u1e h THR 201 Ca 0.30 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.88 1u1e h THR 201 Cb 0.23 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1u1e h THR 201 CO -0.21 0.13 -0.29 0.25 0.37 0.00 0.00 175.52 175.78 1u1e h LEU 202 N -0.63 -0.83 -0.59 2.58 5.85 -1.03 -1.25 115.31 119.40 1u1e h LEU 202 Ca -0.03 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1u1e h LEU 202 Cb 0.45 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1u1e h LEU 202 CO 0.05 -0.38 0.16 -0.07 -0.34 0.00 0.00 178.44 177.86 1u1e h LEU 203 N -0.51 0.89 -0.02 2.25 3.38 -0.52 -2.00 115.31 118.77 1u1e h LEU 203 Ca 0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1u1e h LEU 203 Cb 0.54 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1u1e h LEU 203 CO -0.17 0.88 0.01 0.74 0.09 0.00 0.00 178.44 179.99 1u1e h THR 204 N 0.86 1.18 0.00 0.22 2.02 -1.32 -1.86 112.91 114.01 1u1e h THR 204 Ca 0.19 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 1u1e h THR 204 Cb 0.33 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1u1e h THR 204 CO -0.00 0.14 -0.26 0.00 0.37 0.00 0.00 175.52 175.77 1u1e h MET 205 N -0.18 0.00 0.07 6.66 -0.00 -1.14 -1.78 114.93 118.56 1u1e h MET 205 Ca 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.54 1u1e h MET 205 Cb 0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.82 1u1e h MET 205 CO -0.00 0.26 -0.81 0.00 -0.00 0.00 0.00 176.91 176.36 1u1e h ALA 207 N -0.07 1.53 -0.36 0.00 0.00 -1.27 -0.01 119.26 119.07 1u1e h ALA 207 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1u1e h ALA 207 Cb 1.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1u1e h ALA 207 CO 0.02 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.35 1u1e n SER 208 N -4.06 2.72 -0.11 0.00 3.41 -0.68 -4.23 113.62 110.67 1u1e n SER 208 Ca -0.02 -1.91 0.01 0.00 -0.26 0.00 0.00 58.87 56.69 1u1e n SER 208 Cb 0.25 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 63.97 1u1e n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1e n GLN 209 N 1.00 0.73 -1.99 4.33 6.02 -0.88 -5.02 117.38 121.58 1u1e n GLN 209 Ca 0.18 -0.99 -0.07 0.00 -0.01 0.00 0.00 57.00 56.10 1u1e n GLN 209 Cb 0.47 -0.69 -0.01 0.00 1.02 0.00 0.00 30.24 31.03 1u1e n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1e n GLY 210 N -0.23 0.21 3.53 1.08 0.00 -0.97 -5.03 105.19 103.79 1u1e n GLY 210 Ca 0.01 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1u1e n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1e s LEU 211 N -1.95 2.89 -0.09 0.99 1.43 -0.07 -5.05 118.68 116.84 1u1e s LEU 211 Ca 0.00 -0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 52.55 1u1e s LEU 211 Cb 0.00 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 1u1e s LEU 211 CO 0.00 0.22 0.47 -0.13 0.23 0.00 0.00 176.35 177.14 1u1e s ARG 212 N -1.81 4.26 -0.01 1.70 0.52 -0.61 -3.80 118.95 119.21 1u1e s ARG 212 Ca 0.18 0.46 0.01 0.00 -0.52 0.00 0.00 55.73 55.86 1u1e s ARG 212 Cb -0.11 -3.39 0.01 0.00 0.52 0.00 0.00 34.95 31.98 1u1e s ARG 212 CO 0.09 0.28 -0.03 0.00 0.02 0.00 0.00 175.30 175.66 1u1e s ALA 213 N 0.23 0.33 0.09 2.13 0.00 -1.26 -0.24 121.76 123.03 1u1e s ALA 213 Ca 0.26 -0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.20 1u1e s ALA 213 Cb -0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1u1e s ALA 213 CO 0.11 0.04 -0.18 0.20 0.00 0.00 0.00 175.76 175.94 1u1e s GLY 214 N 0.21 1.05 -0.08 0.00 0.00 0.53 -0.40 107.32 108.63 1u1e s GLY 214 Ca -0.02 -1.12 -0.01 0.00 0.00 0.00 0.00 44.72 43.58 1u1e s GLY 214 CO -0.00 -1.13 -0.04 -0.29 0.00 0.00 0.00 173.10 171.64 1u1e s MET 215 N -1.79 1.01 0.01 2.90 1.75 -1.26 -0.46 119.30 121.46 1u1e s MET 215 Ca 0.02 -0.07 0.02 0.00 -1.25 0.00 0.00 55.69 54.42 1u1e s MET 215 Cb -0.10 -1.19 -0.01 0.00 2.84 0.00 0.00 34.83 36.37 1u1e s MET 215 CO 0.03 -0.25 -0.07 0.54 -0.65 0.00 0.00 175.02 174.62 1u1e s VAL 216 N 1.68 0.56 -0.10 10.11 0.11 -0.34 -1.56 120.40 130.85 1u1e s VAL 216 Ca 0.02 -0.57 -0.14 0.00 -2.93 0.00 0.00 61.98 58.35 1u1e s VAL 216 Cb -0.13 -0.53 0.03 0.00 -1.53 0.00 0.00 36.38 34.23 1u1e s VAL 216 CO -0.05 -0.03 0.37 0.00 -3.33 0.00 0.00 175.10 172.06 1u1e s ALA 217 N -0.57 -0.92 -0.17 1.54 0.00 -0.42 -1.42 121.76 119.79 1u1e s ALA 217 Ca -0.01 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 1u1e s ALA 217 Cb -0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1u1e s ALA 217 CO 0.00 -0.21 0.33 0.20 0.00 0.00 0.00 175.76 176.09 1u1e s GLY 218 N -0.27 2.18 -0.20 0.00 0.00 -1.07 -0.15 107.32 107.81 1u1e s GLY 218 Ca -0.04 -0.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.91 1u1e s GLY 218 CO 0.02 0.58 1.07 0.54 0.00 0.00 0.00 173.10 175.30 1u1e s VAL 219 N 0.78 4.63 -0.83 1.40 0.11 -0.53 -2.81 120.40 123.14 1u1e s VAL 219 Ca 0.18 1.96 0.12 0.00 -2.93 0.00 0.00 61.98 61.30 1u1e s VAL 219 Cb -0.14 -4.26 -0.07 0.00 -1.53 0.00 0.00 36.38 30.38 1u1e s VAL 219 CO 0.06 -0.14 0.60 2.30 -3.33 0.00 0.00 175.10 174.59 1u1e n ILE 220 N 5.19 0.00 -3.77 7.04 -5.35 -0.95 -0.27 119.36 121.24 1u1e n ILE 220 Ca 0.12 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 1u1e n ILE 220 Cb 0.46 1.07 -0.11 0.00 -1.74 0.00 0.00 39.64 39.32 1u1e n ILE 220 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1u1e s VAL 221 N -1.83 -0.00 -0.21 7.28 1.01 -1.24 -4.47 120.40 120.93 1u1e s VAL 221 Ca 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 1u1e s VAL 221 Cb 0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 1u1e s VAL 221 CO 0.39 0.01 -0.04 0.21 0.00 0.00 0.00 175.10 175.67 1u1e s ASN 222 N 0.27 4.39 0.50 3.32 3.84 -1.26 -0.39 114.94 125.61 1u1e s ASN 222 Ca -0.01 -0.35 0.25 0.00 0.21 0.00 0.00 52.86 52.96 1u1e s ASN 222 Cb -0.03 -1.75 1.35 0.00 -0.55 0.00 0.00 41.25 40.27 1u1e s ASN 222 CO -0.01 0.00 2.05 0.03 -2.79 0.00 0.00 177.10 176.38 1u1e h ARG 223 N 7.95 0.00 0.00 0.43 2.47 -0.61 0.28 114.38 124.90 1u1e h ARG 223 Ca -0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 1u1e h ARG 223 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1u1e h ARG 223 CO 0.60 0.14 -0.15 0.25 0.56 0.00 0.00 179.97 181.38 1u1e n THR 224 N -3.75 0.22 -0.04 2.04 -2.24 -1.26 -4.31 114.28 104.94 1u1e n THR 224 Ca -0.02 -0.12 -0.05 0.00 -2.27 0.00 0.00 64.05 61.60 1u1e n THR 224 Cb 0.25 -0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.07 1u1e n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1e n GLN 225 N -1.80 0.94 -3.87 -0.78 6.02 -0.39 -5.11 117.38 112.39 1u1e n GLN 225 Ca 0.06 0.03 -0.10 0.00 -0.01 0.00 0.00 57.00 56.98 1u1e n GLN 225 Cb 0.38 -1.16 0.01 0.00 1.02 0.00 0.00 30.24 30.49 1u1e n GLN 225 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1u1e s GLN 226 N -2.15 2.20 0.00 -1.09 0.00 0.84 -5.03 119.66 114.43 1u1e s GLN 226 Ca -0.09 -1.54 0.00 0.00 -0.00 0.00 0.00 55.36 53.74 1u1e s GLN 226 Cb 0.02 0.59 0.00 0.00 0.00 0.00 0.00 33.01 33.62 1u1e s GLN 226 CO 0.20 -1.01 0.00 -1.91 0.00 0.00 0.00 175.29 172.57 1u1e n GLU 227 N -0.55 0.00 -3.27 9.60 4.07 -1.26 -4.01 120.64 125.22 1u1e n GLU 227 Ca -0.06 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.65 1u1e n GLU 227 Cb 0.60 -0.78 -0.07 0.00 -0.06 0.00 0.00 31.44 31.13 1u1e n GLU 227 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1u1e s ILE 228 N -1.80 5.13 0.62 6.31 1.01 -1.26 -5.00 121.20 126.20 1u1e s ILE 228 Ca 0.00 0.94 -0.16 0.00 0.00 0.00 0.00 60.65 61.43 1u1e s ILE 228 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1u1e s ILE 228 CO 0.00 0.22 1.09 -2.16 0.00 0.00 0.00 174.94 174.09 1u1e s PRO 229 N 1.38 3.08 -0.08 2.79 0.04 -1.26 -5.02 135.00 135.93 1u1e s PRO 229 Ca 0.24 1.35 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 1u1e s PRO 229 Cb -0.15 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1u1e s PRO 229 CO 0.10 -1.02 0.80 1.21 0.04 0.00 0.00 177.00 178.13 1u1e s ASN 230 N -2.54 7.07 -1.43 6.66 2.47 -1.26 -4.96 114.94 120.95 1u1e s ASN 230 Ca 0.66 1.30 -0.09 0.00 0.42 0.00 0.00 52.86 55.15 1u1e s ASN 230 Cb -0.19 -2.46 -0.11 0.00 -1.45 0.00 0.00 41.25 37.04 1u1e s ASN 230 CO 0.37 -0.22 3.03 0.00 -3.72 0.00 0.00 177.10 176.56 1u1e n ALA 231 N 4.17 7.43 0.00 1.71 0.00 -1.26 -1.55 120.51 131.01 1u1e n ALA 231 Ca 0.02 -3.34 0.00 0.00 0.00 0.00 0.00 53.44 50.12 1u1e n ALA 231 Cb 0.51 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.72 1u1e n ALA 231 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1u1e n GLU 232 N 3.40 0.00 0.13 0.00 0.00 -1.26 -4.88 120.64 118.03 1u1e n GLU 232 Ca 0.74 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.94 1u1e n GLU 232 Cb 0.31 0.00 0.45 0.00 0.00 0.00 0.00 31.44 32.21 1u1e n GLU 232 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1u1e h THR 233 N 0.00 1.12 -0.32 6.31 2.02 -1.96 -2.33 112.91 117.76 1u1e h THR 233 Ca 0.00 -0.50 0.05 0.00 0.77 0.00 0.00 66.41 66.73 1u1e h THR 233 Cb 0.00 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 1u1e h THR 233 CO 0.00 0.16 0.03 0.24 0.37 0.00 0.00 175.52 176.32 1u1e h MET 234 N 0.23 0.12 -0.38 6.66 2.86 -1.62 -0.89 114.93 121.92 1u1e h MET 234 Ca 0.05 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 1u1e h MET 234 Cb 0.21 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1u1e h MET 234 CO 0.01 0.08 -0.15 0.87 1.06 0.00 0.00 176.91 178.78 1u1e h LYS 235 N 0.13 0.77 -0.46 1.72 6.56 -1.72 -2.11 116.57 121.46 1u1e h LYS 235 Ca 0.15 -0.32 -0.14 0.00 -1.06 0.00 0.00 60.65 59.28 1u1e h LYS 235 Cb 0.19 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 1u1e h LYS 235 CO -0.23 0.94 -0.24 0.37 -2.06 0.00 0.00 179.45 178.22 1u1e h GLN 236 N 0.57 0.98 -0.47 3.15 5.75 -1.37 -1.78 115.11 121.94 1u1e h GLN 236 Ca 0.09 -0.44 -0.07 0.00 -0.15 0.00 0.00 58.65 58.08 1u1e h GLN 236 Cb 0.69 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 1u1e h GLN 236 CO 0.05 1.11 0.00 1.15 -2.65 0.00 0.00 178.83 178.49 1u1e h THR 237 N 0.83 1.26 -0.42 2.39 2.02 -1.15 -0.48 112.91 117.36 1u1e h THR 237 Ca 0.10 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 1u1e h THR 237 Cb 0.82 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1u1e h THR 237 CO 0.07 0.36 0.22 -0.08 0.37 0.00 0.00 175.52 176.47 1u1e h GLU 238 N 0.67 0.59 -0.79 6.66 4.81 -1.35 -0.65 114.58 124.52 1u1e h GLU 238 Ca 0.13 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1u1e h GLU 238 Cb 0.50 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 1u1e h GLU 238 CO 0.02 0.48 0.50 0.77 -0.73 0.00 0.00 179.01 180.05 1u1e h SER 239 N 0.54 0.82 0.09 1.04 0.02 -1.18 0.11 113.55 114.99 1u1e h SER 239 Ca 0.15 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1u1e h SER 239 Cb 0.07 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1u1e h SER 239 CO -0.02 0.57 -0.15 -0.74 -1.14 0.00 0.00 176.83 175.35 1u1e h HIS 240 N 0.97 -0.38 -0.36 3.45 -0.00 -0.75 -2.25 115.15 115.83 1u1e h HIS 240 Ca 0.32 0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.59 1u1e h HIS 240 Cb 0.02 0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 1u1e h HIS 240 CO -0.03 -0.22 -0.20 0.00 -0.00 0.00 0.00 177.93 177.48 1u1e h ALA 241 N 0.57 0.99 -0.50 5.26 0.00 -0.77 -2.68 119.26 122.14 1u1e h ALA 241 Ca 0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1u1e h ALA 241 Cb 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1u1e h ALA 241 CO -0.08 0.59 0.00 0.28 0.00 0.00 0.00 179.25 180.05 1u1e h VAL 242 N 0.60 1.25 -0.21 0.00 2.07 -0.73 -1.59 116.25 117.63 1u1e h VAL 242 Ca 0.09 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 1u1e h VAL 242 Cb 0.66 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1u1e h VAL 242 CO 0.05 0.36 -0.26 0.11 0.02 0.00 0.00 177.57 177.85 1u1e h LYS 243 N 0.78 0.40 -0.15 1.57 1.57 -1.21 -2.83 116.57 116.70 1u1e h LYS 243 Ca 0.15 -0.15 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1u1e h LYS 243 Cb 0.47 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.76 1u1e h LYS 243 CO 0.02 0.64 -0.78 0.82 -0.57 0.00 0.00 179.45 179.58 1u1e h ILE 244 N 0.36 1.28 -0.01 1.86 2.04 -1.13 -2.78 117.51 119.13 1u1e h ILE 244 Ca 0.05 -1.99 -0.11 0.00 1.00 0.00 0.00 64.86 63.81 1u1e h ILE 244 Cb 0.65 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 1u1e h ILE 244 CO 0.05 0.63 -0.52 1.62 0.00 0.00 0.00 178.15 179.93 1u1e h VAL 245 N 0.52 1.37 -0.15 1.67 3.04 -1.27 -0.89 116.25 120.54 1u1e h VAL 245 Ca -0.05 -1.78 -0.23 0.00 -1.01 0.00 0.00 66.70 63.63 1u1e h VAL 245 Cb 1.40 1.95 0.01 0.00 -2.01 0.00 0.00 31.29 32.65 1u1e h VAL 245 CO 0.16 0.51 -0.79 0.58 -1.01 0.00 0.00 177.57 177.02 1u1e h VAL 246 N 0.02 1.27 -0.26 1.51 2.07 -1.56 -2.10 116.25 117.21 1u1e h VAL 246 Ca -0.00 -1.98 -0.10 0.00 0.82 0.00 0.00 66.70 65.44 1u1e h VAL 246 Cb 0.93 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1u1e h VAL 246 CO 0.07 0.63 -0.27 -0.08 0.02 0.00 0.00 177.57 177.94 1u1e h GLU 247 N 0.54 0.50 -0.03 1.57 4.57 -1.32 -2.14 114.58 118.26 1u1e h GLU 247 Ca -0.06 -0.20 -0.14 0.00 -1.18 0.00 0.00 59.36 57.79 1u1e h GLU 247 Cb 1.42 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.97 1u1e h GLU 247 CO 0.16 0.73 -0.63 0.00 -1.18 0.00 0.00 179.01 178.09 1u1e h ALA 248 N 1.28 0.88 -0.22 2.92 0.00 -1.18 -2.92 119.26 120.02 1u1e h ALA 248 Ca 0.06 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1u1e h ALA 248 Cb 0.70 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1u1e h ALA 248 CO 0.05 0.76 -0.19 0.00 0.00 0.00 0.00 179.25 179.88 1u1e h ALA 249 N 1.26 1.28 -0.76 0.00 0.00 -1.06 -2.98 119.26 117.00 1u1e h ALA 249 Ca -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1u1e h ALA 249 Cb 1.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1u1e h ALA 249 CO 0.09 0.48 0.46 0.00 0.00 0.00 0.00 179.25 180.28 1u1e h ARG 250 N 0.35 1.02 0.00 0.00 3.08 -1.20 -2.82 114.38 114.81 1u1e h ARG 250 Ca 0.06 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1u1e h ARG 250 Cb 0.53 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1u1e h ARG 250 CO 0.03 0.71 0.00 0.00 -1.07 0.00 0.00 179.97 179.65 1u1e h ARG 251 N 1.03 0.00 -0.01 0.04 3.08 -1.48 -3.26 114.38 113.78 1u1e h ARG 251 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1u1e h ARG 251 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1u1e h ARG 251 CO -0.05 0.00 -0.26 1.28 -1.07 0.00 0.00 179.97 179.86 1u1e n LEU 252 N -2.35 1.88 0.00 3.04 4.77 -1.07 -5.06 117.00 118.21 1u1e n LEU 252 Ca 0.03 -0.82 0.08 0.00 -0.03 0.00 0.00 56.01 55.26 1u1e n LEU 252 Cb 0.30 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.86 1u1e n LEU 252 CO 0.24 0.35 0.67 0.18 -1.33 0.00 0.00 177.39 177.50