#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1d s SER 4 N 0.00 -0.66 0.00 4.39 0.15 -1.26 -4.23 113.70 112.09 1u1d s SER 4 Ca 0.00 1.14 0.25 0.00 0.70 0.00 0.00 55.95 58.04 1u1d s SER 4 Cb 0.00 1.06 0.44 0.00 -1.71 0.00 0.00 66.02 65.81 1u1d s SER 4 CO 0.00 -0.21 1.36 0.47 1.20 0.00 0.00 173.24 176.07 1u1d n ASP 5 N 3.82 1.05 -4.46 5.45 10.43 0.12 -4.88 116.55 128.08 1u1d n ASP 5 Ca -0.19 -0.84 -0.22 0.00 2.57 0.00 0.00 54.79 56.10 1u1d n ASP 5 Cb 0.57 0.33 -0.10 0.00 1.84 0.00 0.00 41.12 43.75 1u1d n ASP 5 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1u1d s VAL 6 N -2.69 1.62 0.19 2.53 -7.23 -1.23 -5.04 120.40 108.55 1u1d s VAL 6 Ca 0.18 -2.09 0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1u1d s VAL 6 Cb 0.18 -2.61 -0.13 0.00 0.56 0.00 0.00 36.38 34.38 1u1d s VAL 6 CO 0.62 -0.19 1.43 -0.26 -0.31 0.00 0.00 175.10 176.39 1u1d h PHE 7 N 2.16 0.11 0.00 2.82 0.05 -1.95 -3.41 116.94 116.72 1u1d h PHE 7 Ca -0.41 -0.06 0.00 0.00 3.82 0.00 0.00 57.97 61.32 1u1d h PHE 7 Cb 1.24 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 39.18 1u1d h PHE 7 CO 0.67 0.86 -0.91 0.72 -0.18 0.00 0.00 178.31 179.47 1u1d n HIS 8 N -3.62 0.00 0.22 -0.55 8.25 -1.26 -4.84 115.22 113.42 1u1d n HIS 8 Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 1u1d n HIS 8 Cb 0.78 0.00 0.49 0.00 1.12 0.00 0.00 29.99 32.39 1u1d n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1d h LEU 9 N 0.00 0.00 -1.07 2.41 3.38 -1.93 -3.45 115.31 114.65 1u1d h LEU 9 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1u1d h LEU 9 Cb 0.91 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.73 1u1d h LEU 9 CO 0.00 0.25 -0.31 0.61 0.09 0.00 0.00 178.44 179.08 1u1d n GLY 10 N -0.16 0.25 3.10 0.83 0.00 -1.26 -4.71 105.19 103.23 1u1d n GLY 10 Ca -0.01 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 1u1d n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1d s LEU 11 N -3.87 2.12 0.28 0.99 1.43 -1.26 -4.75 118.68 113.63 1u1d s LEU 11 Ca 0.23 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1u1d s LEU 11 Cb -0.10 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 1u1d s LEU 11 CO 0.33 0.04 0.43 0.42 0.23 0.00 0.00 176.35 177.80 1u1d s THR 12 N -0.67 5.21 0.44 5.49 -4.23 -1.26 0.11 115.64 120.73 1u1d s THR 12 Ca 0.01 -0.80 0.13 0.00 -1.18 0.00 0.00 61.69 59.85 1u1d s THR 12 Cb -0.07 -3.86 0.21 0.00 1.34 0.00 0.00 72.50 70.12 1u1d s THR 12 CO 0.01 -0.41 2.02 0.50 -0.54 0.00 0.00 174.62 176.20 1u1d h LYS 13 N 1.04 0.13 -0.16 3.99 3.64 -1.95 -2.29 116.57 120.96 1u1d h LYS 13 Ca -0.51 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 1u1d h LYS 13 Cb 1.23 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1u1d h LYS 13 CO 0.61 0.21 -0.08 -0.97 -2.27 0.00 0.00 179.45 176.95 1u1d h ASN 14 N 0.13 0.23 -0.02 4.20 -0.73 -1.94 -2.56 115.58 114.87 1u1d h ASN 14 Ca 0.03 -0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1u1d h ASN 14 Cb 0.21 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 38.74 1u1d h ASN 14 CO 0.01 0.34 0.00 0.44 -0.37 0.00 0.00 177.43 177.86 1u1d h ASP 15 N 0.24 0.06 1.52 1.15 3.45 -1.81 -2.83 116.42 118.20 1u1d h ASP 15 Ca 0.05 -0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.45 1u1d h ASP 15 Cb 0.30 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 1u1d h ASP 15 CO 0.01 0.07 -0.27 -0.07 -1.57 0.00 0.00 179.24 177.42 1u1d h LEU 16 N 0.07 0.00 0.41 1.55 4.07 -1.54 -3.48 115.31 116.39 1u1d h LEU 16 Ca 0.02 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 57.57 1u1d h LEU 16 Cb 0.05 0.00 0.04 0.00 1.08 0.00 0.00 40.66 41.82 1u1d h LEU 16 CO 0.00 0.27 -0.63 0.00 -1.08 0.00 0.00 178.44 177.01 1u1d n GLN 17 N -3.21 -5.22 -0.59 1.13 6.02 -1.07 -2.24 117.38 112.19 1u1d n GLN 17 Ca 0.02 0.79 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 1u1d n GLN 17 Cb 0.59 -5.66 0.00 0.00 1.02 0.00 0.00 30.24 26.19 1u1d n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1d n GLY 18 N -1.56 0.73 3.75 1.08 0.00 -1.26 -4.82 105.19 103.11 1u1d n GLY 18 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1u1d n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1d s ALA 19 N -2.30 3.64 -0.04 4.61 0.00 -0.95 -4.93 121.76 121.80 1u1d s ALA 19 Ca 0.00 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1u1d s ALA 19 Cb 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 1u1d s ALA 19 CO 0.00 -0.84 0.04 0.25 0.00 0.00 0.00 175.76 175.21 1u1d n THR 20 N 1.92 0.00 -4.94 0.00 -2.24 -1.26 -4.24 114.28 103.52 1u1d n THR 20 Ca 0.06 -0.44 -0.33 0.00 -2.27 0.00 0.00 64.05 61.07 1u1d n THR 20 Cb 0.39 0.96 -0.14 0.00 -2.10 0.00 0.00 70.33 69.44 1u1d n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1d s LEU 21 N -2.13 2.60 -0.03 3.22 0.20 -1.26 0.06 118.68 121.33 1u1d s LEU 21 Ca 0.00 -0.29 0.03 0.00 0.69 0.00 0.00 54.13 54.57 1u1d s LEU 21 Cb 0.01 -1.53 0.00 0.00 -0.43 0.00 0.00 46.19 44.24 1u1d s LEU 21 CO 0.04 0.28 -0.13 0.00 -0.29 0.00 0.00 176.35 176.26 1u1d s ALA 22 N -0.36 1.15 -0.14 5.97 0.00 -0.09 -1.85 121.76 126.45 1u1d s ALA 22 Ca 0.03 -0.49 -0.17 0.00 0.00 0.00 0.00 51.96 51.34 1u1d s ALA 22 Cb -0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1u1d s ALA 22 CO 0.02 0.20 0.43 0.42 0.00 0.00 0.00 175.76 176.83 1u1d s ILE 23 N 0.13 5.21 -0.54 0.00 1.01 0.28 -1.03 121.20 126.27 1u1d s ILE 23 Ca -0.03 0.85 0.04 0.00 0.00 0.00 0.00 60.65 61.50 1u1d s ILE 23 Cb -0.10 -3.77 0.14 0.00 0.01 0.00 0.00 42.46 38.74 1u1d s ILE 23 CO 0.01 0.33 0.31 0.68 0.00 0.00 0.00 174.94 176.27 1u1d s VAL 24 N 0.66 2.31 0.69 2.92 -7.23 0.84 -1.63 120.40 118.96 1u1d s VAL 24 Ca 0.23 -3.33 -0.11 0.00 -1.81 0.00 0.00 61.98 56.97 1u1d s VAL 24 Cb -0.15 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1u1d s VAL 24 CO 0.09 -0.88 1.06 -2.16 -0.31 0.00 0.00 175.10 172.89 1u1d s PRO 25 N -0.38 3.02 0.01 4.82 0.04 -1.24 -3.58 135.00 137.68 1u1d s PRO 25 Ca 0.19 0.89 -0.17 0.00 0.04 0.00 0.00 61.00 61.95 1u1d s PRO 25 Cb -0.20 -2.00 -0.35 0.00 0.04 0.00 0.00 34.50 31.99 1u1d s PRO 25 CO -0.04 -1.02 0.97 0.78 0.04 0.00 0.00 177.00 177.73 1u1d h GLY 26 N -0.66 0.56 -5.88 0.56 0.00 -1.84 -0.88 103.07 94.93 1u1d h GLY 26 Ca -0.44 -1.44 -0.60 0.00 0.00 0.00 0.00 47.33 44.85 1u1d h GLY 26 CO 0.58 1.26 0.48 -0.35 0.00 0.00 0.00 176.54 178.52 1u1d s ASP 27 N -7.46 6.80 0.62 0.19 -1.08 -1.26 -1.58 116.67 112.90 1u1d s ASP 27 Ca -0.10 0.95 0.31 0.00 -0.52 0.00 0.00 52.55 53.19 1u1d s ASP 27 Cb 0.03 -2.44 1.72 0.00 -1.46 0.00 0.00 42.92 40.78 1u1d s ASP 27 CO 0.92 -0.56 2.06 1.55 0.52 0.00 0.00 175.17 179.66 1u1d h PRO 28 N 7.81 0.00 0.00 4.34 0.13 -1.87 -1.46 132.00 140.95 1u1d h PRO 28 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1u1d h PRO 28 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1u1d h PRO 28 CO 0.89 0.00 -0.19 -0.25 -0.23 0.00 0.00 178.00 178.22 1u1d n ASP 29 N -3.48 0.62 0.13 1.44 8.00 -1.26 -3.20 116.55 118.79 1u1d n ASP 29 Ca 0.01 0.39 0.13 0.00 0.71 0.00 0.00 54.79 56.03 1u1d n ASP 29 Cb 0.36 -0.44 0.30 0.00 -0.02 0.00 0.00 41.12 41.32 1u1d n ASP 29 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1u1d h ARG 30 N 0.00 0.00 -0.06 -1.24 2.43 -1.67 -3.38 114.38 110.46 1u1d h ARG 30 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1u1d h ARG 30 Cb 0.68 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1u1d h ARG 30 CO 0.00 0.00 0.03 0.28 -1.51 0.00 0.00 179.97 178.77 1u1d h VAL 31 N 0.00 1.01 -0.63 0.20 2.07 -1.62 -2.04 116.25 115.23 1u1d h VAL 31 Ca 0.00 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1u1d h VAL 31 Cb 0.82 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1u1d h VAL 31 CO 0.00 0.01 0.37 -0.08 0.02 0.00 0.00 177.57 177.89 1u1d h GLU 32 N 0.07 0.86 -0.47 1.57 4.81 -1.79 -1.68 114.58 117.96 1u1d h GLU 32 Ca 0.02 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1u1d h GLU 32 Cb -0.00 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1u1d h GLU 32 CO -0.01 0.62 0.20 0.87 -0.73 0.00 0.00 179.01 179.96 1u1d h LYS 33 N 0.87 0.68 -0.32 1.92 1.57 -1.63 -0.65 116.57 119.01 1u1d h LYS 33 Ca 0.23 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 1u1d h LYS 33 Cb -0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1u1d h LYS 33 CO -0.04 0.60 -0.28 0.82 -0.57 0.00 0.00 179.45 179.99 1u1d h ILE 34 N 0.61 1.29 -0.19 1.86 2.04 -1.17 -3.22 117.51 118.73 1u1d h ILE 34 Ca 0.16 -1.43 -0.07 0.00 1.00 0.00 0.00 64.86 64.51 1u1d h ILE 34 Cb 0.16 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1u1d h ILE 34 CO -0.02 0.47 -0.19 0.00 0.00 0.00 0.00 178.15 178.41 1u1d h ALA 35 N 0.74 1.32 0.00 1.87 0.00 -1.18 -2.68 119.26 119.34 1u1d h ALA 35 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1u1d h ALA 35 Cb 0.84 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1u1d h ALA 35 CO 0.07 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1u1d h ALA 36 N 1.50 1.00 0.00 0.00 0.00 -1.12 -2.35 119.26 118.28 1u1d h ALA 36 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u1d h ALA 36 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1u1d h ALA 36 CO 0.03 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.21 1u1d h LEU 37 N 0.00 0.00-10.38 0.00 4.07 -1.54 -3.46 115.31 104.00 1u1d h LEU 37 Ca 0.00 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.37 1u1d h LEU 37 Cb 0.37 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.06 1u1d h LEU 37 CO 0.00 0.00 -0.29 -0.04 -1.08 0.00 0.00 178.44 177.03 1u1d s MET 38 N -3.23 2.24 0.33 1.13 -1.94 -0.89 -5.12 119.30 111.82 1u1d s MET 38 Ca 0.08 -2.04 -0.17 0.00 -1.71 0.00 0.00 55.69 51.84 1u1d s MET 38 Cb 0.10 -2.09 -0.09 0.00 2.01 0.00 0.00 34.83 34.75 1u1d s MET 38 CO 0.57 -0.66 0.78 -0.51 -0.01 0.00 0.00 175.02 175.19 1u1d s ASP 39 N -4.30 6.86 -1.00 3.03 1.01 -0.18 -4.50 116.67 117.59 1u1d s ASP 39 Ca 0.33 1.39 -0.15 0.00 0.71 0.00 0.00 52.55 54.83 1u1d s ASP 39 Cb -0.02 -2.42 0.01 0.00 1.01 0.00 0.00 42.92 41.50 1u1d s ASP 39 CO 0.21 -0.20 0.68 0.29 0.21 0.00 0.00 175.17 176.36 1u1d n LYS 40 N -0.24 -1.07 -2.64 8.23 5.02 -1.26 0.41 118.16 126.61 1u1d n LYS 40 Ca 0.03 0.57 -0.42 0.00 -2.02 0.00 0.00 58.31 56.47 1u1d n LYS 40 Cb 0.53 -3.11 -0.03 0.00 -0.02 0.00 0.00 35.03 32.40 1u1d n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1d s PRO 41 N -5.70 4.53 -0.02 1.97 0.04 -1.26 -4.37 135.00 130.19 1u1d s PRO 41 Ca 0.25 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.81 1u1d s PRO 41 Cb -0.12 -3.43 0.01 0.00 0.04 0.00 0.00 34.50 31.00 1u1d s PRO 41 CO 0.90 -0.11 -0.04 0.08 0.04 0.00 0.00 177.00 177.87 1u1d s VAL 42 N 1.04 0.38 0.04 -0.36 1.01 -0.39 -5.00 120.40 117.12 1u1d s VAL 42 Ca 0.54 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 1u1d s VAL 42 Cb -0.23 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1u1d s VAL 42 CO 0.28 0.14 1.06 -0.75 0.00 0.00 0.00 175.10 175.83 1u1d s LYS 43 N 0.32 4.53 -0.23 2.72 2.20 -1.26 -0.91 119.74 127.11 1u1d s LYS 43 Ca -0.03 1.55 -0.12 0.00 -0.36 0.00 0.00 55.97 57.01 1u1d s LYS 43 Cb -0.07 -3.41 -0.10 0.00 -1.51 0.00 0.00 37.83 32.75 1u1d s LYS 43 CO -0.00 -0.09 -0.30 1.28 -0.36 0.00 0.00 175.35 175.87 1u1d n LEU 44 N 3.76 1.67 -3.58 5.43 4.77 -0.05 -4.94 117.00 124.06 1u1d n LEU 44 Ca 0.07 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 56.20 1u1d n LEU 44 Cb 0.49 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 1u1d n LEU 44 CO 0.53 0.40 0.26 0.00 -1.33 0.00 0.00 177.39 177.26 1u1d s ALA 45 N -2.47 -1.28 -0.25 -1.18 0.00 -1.13 -5.02 121.76 110.43 1u1d s ALA 45 Ca -0.32 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.16 1u1d s ALA 45 Cb 0.12 0.39 0.11 0.00 0.00 0.00 0.00 23.12 23.74 1u1d s ALA 45 CO 0.41 -0.51 0.23 0.45 0.00 0.00 0.00 175.76 176.34 1u1d s SER 46 N -2.01 1.91 -0.02 0.00 0.15 -1.26 -1.24 113.70 111.24 1u1d s SER 46 Ca -0.05 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1u1d s SER 46 Cb -0.01 0.27 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 1u1d s SER 46 CO -0.02 -0.37 0.00 -1.00 1.20 0.00 0.00 173.24 173.05 1u1d s HIS 47 N 2.29 0.20 0.00 3.44 3.76 -0.60 -5.01 115.29 119.37 1u1d s HIS 47 Ca 0.08 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.02 1u1d s HIS 47 Cb -0.15 -0.28 0.00 0.00 1.11 0.00 0.00 32.58 33.26 1u1d s HIS 47 CO -0.24 -0.08 0.00 0.54 -0.85 0.00 0.00 174.74 174.11 1u1d n ARG 48 N 3.86 0.00 -0.07 1.40 1.74 -1.26 -0.57 116.66 121.76 1u1d n ARG 48 Ca -0.23 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 56.95 1u1d n ARG 48 Cb 0.53 0.00 0.39 0.00 -1.02 0.00 0.00 32.46 32.36 1u1d n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1d n GLU 49 N 14.00 1.67 -3.36 5.56 0.00 -1.26 -4.80 120.64 132.45 1u1d n GLU 49 Ca 0.00 -1.00 -0.45 0.00 0.00 0.00 0.00 57.16 55.71 1u1d n GLU 49 Cb 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 31.44 29.99 1u1d n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1d s PHE 50 N -1.81 3.26 -0.17 -1.84 0.40 0.27 -4.23 117.98 113.86 1u1d s PHE 50 Ca 0.32 -1.22 -0.04 0.00 -0.60 0.00 0.00 56.93 55.39 1u1d s PHE 50 Cb 0.17 -3.57 -0.03 0.00 0.51 0.00 0.00 43.02 40.11 1u1d s PHE 50 CO 0.26 -0.95 -0.03 0.99 0.70 0.00 0.00 175.22 176.20 1u1d s THR 51 N 1.59 3.88 -0.10 0.64 2.01 -1.26 -1.55 115.64 120.84 1u1d s THR 51 Ca 0.03 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.71 1u1d s THR 51 Cb -0.28 -2.72 0.01 0.00 0.01 0.00 0.00 72.50 69.52 1u1d s THR 51 CO 0.04 0.47 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.36 1u1d s THR 52 N 0.61 1.71 0.17 -0.82 2.01 -0.37 -1.93 115.64 117.01 1u1d s THR 52 Ca -0.02 -0.79 0.11 0.00 0.31 0.00 0.00 61.69 61.30 1u1d s THR 52 Cb -0.14 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1u1d s THR 52 CO 0.02 0.48 -0.24 0.26 -0.69 0.00 0.00 174.62 174.46 1u1d s TRP 53 N 0.71 2.33 -0.05 4.92 0.52 0.16 -0.87 118.94 126.65 1u1d s TRP 53 Ca -0.12 -0.36 0.05 0.00 0.02 0.00 0.00 56.10 55.70 1u1d s TRP 53 Cb -0.16 -1.19 -0.02 0.00 -1.15 0.00 0.00 33.47 30.95 1u1d s TRP 53 CO 0.02 0.44 -0.21 0.50 0.02 0.00 0.00 176.95 177.73 1u1d s ARG 54 N -2.46 2.50 0.32 4.98 3.52 -0.08 -1.00 118.95 126.73 1u1d s ARG 54 Ca 0.19 -0.82 0.06 0.00 -0.13 0.00 0.00 55.73 55.03 1u1d s ARG 54 Cb -0.09 -2.24 -0.03 0.00 -1.56 0.00 0.00 34.95 31.03 1u1d s ARG 54 CO 0.09 0.49 0.26 0.00 -0.81 0.00 0.00 175.30 175.33 1u1d s ALA 55 N -0.42 1.87 -0.09 6.12 0.00 -0.39 -1.26 121.76 127.59 1u1d s ALA 55 Ca 0.04 -2.00 0.04 0.00 0.00 0.00 0.00 51.96 50.04 1u1d s ALA 55 Cb -0.12 1.43 0.00 0.00 0.00 0.00 0.00 23.12 24.44 1u1d s ALA 55 CO 0.02 -0.64 -0.21 -2.00 0.00 0.00 0.00 175.76 172.92 1u1d s GLU 56 N -3.52 2.71 -0.22 0.00 2.12 0.17 -0.62 118.70 119.34 1u1d s GLU 56 Ca 0.40 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.96 1u1d s GLU 56 Cb 0.03 -2.09 0.05 0.00 0.26 0.00 0.00 34.13 32.38 1u1d s GLU 56 CO 0.26 0.16 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.90 1u1d s LEU 57 N 0.37 2.38 -1.54 2.70 2.96 0.59 -1.01 118.68 125.13 1u1d s LEU 57 Ca -0.17 -1.04 -0.13 0.00 -0.22 0.00 0.00 54.13 52.57 1u1d s LEU 57 Cb -0.17 -1.16 0.09 0.00 0.50 0.00 0.00 46.19 45.45 1u1d s LEU 57 CO 0.07 -0.21 0.91 0.47 -1.32 0.00 0.00 176.35 176.28 1u1d n ASP 58 N 4.70 -4.11 0.00 3.68 10.43 -1.26 -1.44 116.55 128.55 1u1d n ASP 58 Ca -0.13 -0.83 0.00 0.00 2.57 0.00 0.00 54.79 56.41 1u1d n ASP 58 Cb 0.45 -3.70 0.00 0.00 1.84 0.00 0.00 41.12 39.71 1u1d n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u1d n GLY 59 N -1.65 1.27 3.51 0.44 0.00 -1.26 -5.03 105.19 102.47 1u1d n GLY 59 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1u1d n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1d s LYS 60 N -0.11 3.71 0.27 1.61 -0.14 -0.52 -5.08 119.74 119.49 1u1d s LYS 60 Ca 0.00 -0.50 -0.30 0.00 -1.36 0.00 0.00 55.97 53.81 1u1d s LYS 60 Cb 0.00 -2.97 -0.11 0.00 -1.68 0.00 0.00 37.83 33.07 1u1d s LYS 60 CO 0.00 0.23 1.56 -1.25 -0.76 0.00 0.00 175.35 175.13 1u1d s PRO 61 N 0.41 4.17 0.01 -1.68 0.04 -1.26 -0.30 135.00 136.38 1u1d s PRO 61 Ca -0.03 2.49 0.03 0.00 0.04 0.00 0.00 61.00 63.54 1u1d s PRO 61 Cb -0.14 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 1u1d s PRO 61 CO 0.02 -0.58 -0.11 0.08 0.04 0.00 0.00 177.00 176.46 1u1d s VAL 62 N 0.11 0.83 -0.11 -0.36 1.01 0.21 -4.38 120.40 117.71 1u1d s VAL 62 Ca 0.63 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 1u1d s VAL 62 Cb -0.46 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1u1d s VAL 62 CO 0.45 0.10 0.09 -0.63 0.00 0.00 0.00 175.10 175.11 1u1d s ILE 63 N -0.51 5.10 -0.18 2.22 -1.09 -0.77 -1.27 121.20 124.70 1u1d s ILE 63 Ca 0.02 0.05 -0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1u1d s ILE 63 Cb -0.05 -3.20 0.01 0.00 -1.58 0.00 0.00 42.46 37.64 1u1d s ILE 63 CO 0.00 0.61 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.47 1u1d s VAL 64 N -0.98 2.42 -0.03 2.92 1.01 -0.17 -0.56 120.40 125.01 1u1d s VAL 64 Ca 0.14 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1u1d s VAL 64 Cb -0.12 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1u1d s VAL 64 CO 0.03 0.51 0.05 0.00 0.00 0.00 0.00 175.10 175.70 1u1d s SER 66 N 1.37 7.21 -0.05 0.00 1.04 -0.82 -3.66 113.70 118.80 1u1d s SER 66 Ca -0.05 2.01 0.18 0.00 0.48 0.00 0.00 55.95 58.56 1u1d s SER 66 Cb -0.13 -2.60 -0.22 0.00 0.10 0.00 0.00 66.02 63.18 1u1d s SER 66 CO -0.03 -0.17 0.50 0.35 0.98 0.00 0.00 173.24 174.87 1u1d n THR 67 N 0.68 1.10 0.00 2.02 -2.24 -0.33 -4.39 114.28 111.11 1u1d n THR 67 Ca 0.01 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1u1d n THR 67 Cb 0.48 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1u1d n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1d n GLY 68 N 1.51 -1.17 3.69 3.38 0.00 -0.61 -3.42 105.19 108.56 1u1d n GLY 68 Ca -0.17 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 1u1d n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1d s ILE 69 N -1.61 4.42 0.00 -0.61 1.01 -1.26 -4.69 121.20 118.46 1u1d s ILE 69 Ca 0.00 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.37 1u1d s ILE 69 Cb 0.00 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1u1d s ILE 69 CO 0.00 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1u1d n GLY 70 N 3.29 2.30 0.20 6.18 0.00 -1.24 -4.70 105.19 111.22 1u1d n GLY 70 Ca 0.10 -1.87 -0.02 0.00 0.00 0.00 0.00 46.02 44.23 1u1d n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1d h GLY 71 N 0.00 0.67 0.27 -0.02 0.00 -1.86 -2.62 103.07 99.51 1u1d h GLY 71 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.30 1u1d h GLY 71 CO 0.00 -0.02 -0.26 -2.55 0.00 0.00 0.00 176.54 173.71 1u1d h PRO 72 N 0.32 -0.33 -0.11 4.80 0.11 -1.94 0.36 132.00 135.21 1u1d h PRO 72 Ca 0.25 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.25 1u1d h PRO 72 Cb 0.30 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1u1d h PRO 72 CO -0.28 -0.22 -0.52 0.66 -0.21 0.00 0.00 178.00 177.43 1u1d h SER 73 N -0.34 0.33 -0.83 -2.05 4.64 -1.80 -2.84 113.55 110.67 1u1d h SER 73 Ca 0.10 -0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1u1d h SER 73 Cb 0.48 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.43 1u1d h SER 73 CO -0.31 0.80 0.54 0.74 -0.87 0.00 0.00 176.83 177.73 1u1d h THR 74 N 0.24 1.19 -0.18 2.95 2.02 -1.05 -1.36 112.91 116.71 1u1d h THR 74 Ca 0.01 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 1u1d h THR 74 Cb 1.00 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1u1d h THR 74 CO 0.08 0.20 -0.18 0.77 0.37 0.00 0.00 175.52 176.76 1u1d h SER 75 N 1.09 0.29 -0.06 4.18 4.64 -0.10 -0.60 113.55 122.99 1u1d h SER 75 Ca 0.31 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.53 1u1d h SER 75 Cb -0.08 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1u1d h SER 75 CO -0.08 0.49 -0.08 0.40 -0.87 0.00 0.00 176.83 176.69 1u1d h ILE 76 N 0.28 1.38 -0.47 0.95 2.04 -1.24 -2.55 117.51 117.91 1u1d h ILE 76 Ca 0.05 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 1u1d h ILE 76 Cb 0.49 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 1u1d h ILE 76 CO 0.03 0.35 0.27 0.00 0.00 0.00 0.00 178.15 178.81 1u1d h ALA 77 N 0.53 0.60 -0.21 1.87 0.00 -1.04 -1.64 119.26 119.37 1u1d h ALA 77 Ca 0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1u1d h ALA 77 Cb 0.60 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1u1d h ALA 77 CO 0.02 0.10 -0.13 0.28 0.00 0.00 0.00 179.25 179.52 1u1d h VAL 78 N 0.62 1.31 -0.43 0.00 2.07 -1.20 -1.34 116.25 117.29 1u1d h VAL 78 Ca 0.17 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1u1d h VAL 78 Cb 0.02 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1u1d h VAL 78 CO -0.03 0.37 0.28 -0.08 0.02 0.00 0.00 177.57 178.13 1u1d h GLU 79 N 0.15 0.56 0.00 1.57 4.57 -1.42 -0.43 114.58 119.58 1u1d h GLU 79 Ca 0.04 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 1u1d h GLU 79 Cb 0.64 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 1u1d h GLU 79 CO 0.04 0.38 -0.64 0.93 -1.18 0.00 0.00 179.01 178.53 1u1d h GLU 80 N 0.57 0.00 -0.23 1.92 5.08 -1.28 -1.13 114.58 119.51 1u1d h GLU 80 Ca 0.16 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.35 1u1d h GLU 80 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1u1d h GLU 80 CO -0.03 0.64 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.03 1u1d h LEU 81 N 0.00 0.72 -0.82 1.33 3.38 -1.11 -2.75 115.31 116.07 1u1d h LEU 81 Ca -0.01 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 1u1d h LEU 81 Cb 1.20 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1u1d h LEU 81 CO 0.08 1.11 0.17 0.00 0.09 0.00 0.00 178.44 179.89 1u1d h ALA 82 N 0.91 1.03 -0.36 1.53 0.00 -0.75 -0.88 119.26 120.75 1u1d h ALA 82 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1u1d h ALA 82 Cb 1.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1u1d h ALA 82 CO 0.10 0.64 0.24 1.96 0.00 0.00 0.00 179.25 182.19 1u1d h GLN 83 N 1.01 0.45 -0.00 0.00 4.20 -1.18 -2.20 115.11 117.39 1u1d h GLN 83 Ca 0.21 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1u1d h GLN 83 Cb 0.34 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1u1d h GLN 83 CO -0.00 0.30 -0.14 1.28 -0.67 0.00 0.00 178.83 179.59 1u1d n LEU 84 N -4.48 0.59 0.00 1.46 4.77 -0.74 -4.92 117.00 113.68 1u1d n LEU 84 Ca 0.03 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1u1d n LEU 84 Cb 0.08 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1u1d n LEU 84 CO 0.35 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1u1d n GLY 85 N 1.30 0.91 3.71 -0.72 0.00 -0.80 -4.82 105.19 104.77 1u1d n GLY 85 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1u1d n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1d s ILE 86 N -2.00 3.86 -0.02 -0.61 -1.09 -0.41 -4.50 121.20 116.44 1u1d s ILE 86 Ca 0.00 1.33 0.01 0.00 -2.23 0.00 0.00 60.65 59.76 1u1d s ILE 86 Cb 0.00 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1u1d s ILE 86 CO 0.00 0.09 0.03 0.54 -1.23 0.00 0.00 174.94 174.38 1u1d n ARG 87 N 4.07 1.77 -4.56 2.79 5.12 0.11 -4.15 116.66 121.81 1u1d n ARG 87 Ca 0.10 -0.01 -0.29 0.00 -1.93 0.00 0.00 57.85 55.72 1u1d n ARG 87 Cb 0.45 -0.90 -0.17 0.00 -1.16 0.00 0.00 32.46 30.68 1u1d n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1d s THR 88 N -1.83 1.63 -0.10 0.55 2.01 -0.70 -1.66 115.64 115.54 1u1d s THR 88 Ca -0.00 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.31 1u1d s THR 88 Cb 0.01 -1.47 -0.00 0.00 0.01 0.00 0.00 72.50 71.04 1u1d s THR 88 CO 0.05 0.47 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.86 1u1d s PHE 89 N 0.89 2.58 -0.22 4.92 0.40 0.86 -0.91 117.98 126.50 1u1d s PHE 89 Ca -0.08 -0.95 0.02 0.00 -0.60 0.00 0.00 56.93 55.31 1u1d s PHE 89 Cb -0.15 -1.72 0.05 0.00 0.51 0.00 0.00 43.02 41.71 1u1d s PHE 89 CO -0.01 -0.36 -0.11 -0.51 0.70 0.00 0.00 175.22 174.93 1u1d s LEU 90 N 0.28 2.71 -0.10 -0.37 1.43 -0.19 -0.93 118.68 121.50 1u1d s LEU 90 Ca -0.16 -1.09 -0.21 0.00 -1.03 0.00 0.00 54.13 51.64 1u1d s LEU 90 Cb -0.17 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1u1d s LEU 90 CO 0.08 -0.16 0.61 -0.60 0.23 0.00 0.00 176.35 176.50 1u1d s ARG 91 N 1.29 4.37 -0.17 1.70 3.52 0.01 -0.11 118.95 129.55 1u1d s ARG 91 Ca -0.04 0.68 -0.01 0.00 -0.13 0.00 0.00 55.73 56.23 1u1d s ARG 91 Cb -0.18 -3.46 -0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1u1d s ARG 91 CO -0.07 0.06 -0.13 -1.50 -0.81 0.00 0.00 175.30 172.85 1u1d s ILE 92 N 0.89 2.85 0.27 4.11 -1.16 -1.24 -1.06 121.20 125.86 1u1d s ILE 92 Ca 0.32 -0.70 0.05 0.00 -0.51 0.00 0.00 60.65 59.81 1u1d s ILE 92 Cb -0.16 -2.23 -0.02 0.00 0.61 0.00 0.00 42.46 40.66 1u1d s ILE 92 CO 0.14 0.50 0.17 0.61 -2.81 0.00 0.00 174.94 173.55 1u1d n GLY 93 N 4.23 3.29 3.79 1.50 0.00 -0.29 -4.02 105.19 113.70 1u1d n GLY 93 Ca -0.19 -1.92 -0.23 0.00 0.00 0.00 0.00 46.02 43.68 1u1d n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1d s THR 94 N -2.89 4.33 0.06 2.61 -4.23 -1.26 -1.95 115.64 112.31 1u1d s THR 94 Ca 0.24 -1.36 -0.20 0.00 -1.18 0.00 0.00 61.69 59.19 1u1d s THR 94 Cb 0.01 -3.29 0.04 0.00 1.34 0.00 0.00 72.50 70.60 1u1d s THR 94 CO 0.17 -0.27 0.46 0.28 -0.54 0.00 0.00 174.62 174.71 1u1d s THR 95 N -2.02 0.05 -0.27 3.99 -1.32 -0.93 -4.80 115.64 110.34 1u1d s THR 95 Ca 0.32 -0.38 -0.07 0.00 -1.21 0.00 0.00 61.69 60.35 1u1d s THR 95 Cb -0.08 -0.99 -0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1u1d s THR 95 CO 0.24 -0.21 0.06 -0.83 -2.21 0.00 0.00 174.62 171.67 1u1d s GLY 96 N -2.10 1.75 0.38 6.08 0.00 -1.07 -2.42 107.32 109.95 1u1d s GLY 96 Ca -0.04 -1.32 -0.25 0.00 0.00 0.00 0.00 44.72 43.11 1u1d s GLY 96 CO -0.03 0.59 1.02 0.00 0.00 0.00 0.00 173.10 174.67 1u1d s ALA 97 N 1.53 3.13 -0.35 3.20 0.00 0.56 -1.06 121.76 128.76 1u1d s ALA 97 Ca 0.04 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1u1d s ALA 97 Cb -0.16 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.73 1u1d s ALA 97 CO 0.02 -0.11 0.58 0.44 0.00 0.00 0.00 175.76 176.70 1u1d n ILE 98 N 0.10 0.00 -3.81 0.00 -5.35 0.07 0.00 119.36 110.38 1u1d n ILE 98 Ca 0.04 -0.50 -0.37 0.00 -0.27 0.00 0.00 62.75 61.66 1u1d n ILE 98 Cb 0.50 1.06 -0.07 0.00 -1.74 0.00 0.00 39.64 39.39 1u1d n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1d s GLN 99 N -0.25 3.69 0.48 6.28 -1.52 -1.23 -4.78 119.66 122.34 1u1d s GLN 99 Ca 0.03 -0.11 0.16 0.00 -1.95 0.00 0.00 55.36 53.49 1u1d s GLN 99 Cb 0.02 -3.26 1.13 0.00 -0.22 0.00 0.00 33.01 30.69 1u1d s GLN 99 CO 0.04 0.63 2.05 -1.35 -0.25 0.00 0.00 175.29 176.41 1u1d h PRO 100 N 5.46 0.00 0.00 2.91 0.11 -1.96 -2.83 132.00 135.69 1u1d h PRO 100 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1u1d h PRO 100 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u1d h PRO 100 CO 0.63 0.12 -0.06 -2.39 -0.21 0.00 0.00 178.00 176.09 1u1d n HIS 101 N -4.34 0.68 -3.19 0.65 1.44 -1.26 -4.73 115.22 104.46 1u1d n HIS 101 Ca -0.03 0.20 -0.40 0.00 -2.01 0.00 0.00 57.72 55.49 1u1d n HIS 101 Cb 0.19 -0.81 -0.06 0.00 0.12 0.00 0.00 29.99 29.43 1u1d n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1d s ILE 102 N -3.08 5.07 0.29 0.61 1.01 -1.07 -5.07 121.20 118.96 1u1d s ILE 102 Ca 0.11 1.05 0.06 0.00 0.00 0.00 0.00 60.65 61.87 1u1d s ILE 102 Cb 0.14 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 1u1d s ILE 102 CO 0.59 0.15 0.41 0.20 0.00 0.00 0.00 174.94 176.30 1u1d s ASN 103 N 1.16 6.13 0.19 3.58 0.02 -1.26 -4.87 114.94 119.90 1u1d s ASN 103 Ca 0.26 -0.07 -0.31 0.00 -1.02 0.00 0.00 52.86 51.72 1u1d s ASN 103 Cb -0.16 -1.53 -0.10 0.00 0.02 0.00 0.00 41.25 39.48 1u1d s ASN 103 CO 0.10 -0.25 1.54 -0.69 0.02 0.00 0.00 177.10 177.82 1u1d s VAL 104 N -2.08 2.58 0.00 1.60 1.01 -1.26 -2.18 120.40 120.07 1u1d s VAL 104 Ca 0.40 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1u1d s VAL 104 Cb -0.09 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1u1d s VAL 104 CO 0.30 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1u1d n GLY 105 N 3.26 1.43 3.77 4.51 0.00 0.10 -5.01 105.19 113.25 1u1d n GLY 105 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1u1d n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1d s ASP 106 N -1.66 4.83 -0.13 1.61 1.11 -0.93 -4.72 116.67 116.78 1u1d s ASP 106 Ca 0.00 1.92 -0.01 0.00 0.18 0.00 0.00 52.55 54.64 1u1d s ASP 106 Cb 0.00 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.43 1u1d s ASP 106 CO 0.00 -1.82 -0.10 -0.69 1.18 0.00 0.00 175.17 173.74 1u1d s VAL 107 N -2.60 3.38 -0.15 -1.27 1.01 -0.12 -1.00 120.40 119.65 1u1d s VAL 107 Ca 0.64 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1u1d s VAL 107 Cb -0.19 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 1u1d s VAL 107 CO 0.48 0.52 -0.15 -0.76 0.00 0.00 0.00 175.10 175.19 1u1d s LEU 108 N 0.21 2.48 -0.22 3.92 1.43 0.20 -1.45 118.68 125.25 1u1d s LEU 108 Ca -0.06 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.50 1u1d s LEU 108 Cb -0.15 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1u1d s LEU 108 CO 0.04 0.09 0.07 -0.69 0.23 0.00 0.00 176.35 176.10 1u1d s VAL 109 N 0.77 4.61 -0.25 -1.59 1.01 -0.61 -1.25 120.40 123.09 1u1d s VAL 109 Ca -0.06 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 1u1d s VAL 109 Cb -0.15 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1u1d s VAL 109 CO 0.01 0.39 0.53 -0.89 0.00 0.00 0.00 175.10 175.14 1u1d s THR 110 N 0.97 5.06 0.02 3.92 2.01 -0.67 -2.21 115.64 124.75 1u1d s THR 110 Ca 0.04 0.92 -0.17 0.00 0.31 0.00 0.00 61.69 62.79 1u1d s THR 110 Cb -0.14 -3.84 -0.31 0.00 0.01 0.00 0.00 72.50 68.22 1u1d s THR 110 CO 0.03 0.09 1.03 0.71 -0.69 0.00 0.00 174.62 175.79 1u1d h THR 111 N 5.36 1.34 -2.76 -0.82 1.35 -1.57 -3.41 112.91 112.41 1u1d h THR 111 Ca -0.29 -2.51 0.04 0.00 -0.55 0.00 0.00 66.41 63.10 1u1d h THR 111 Cb 1.14 2.89 -0.12 0.00 -1.73 0.00 0.00 68.15 70.33 1u1d h THR 111 CO 0.73 0.75 0.31 0.00 -0.25 0.00 0.00 175.52 177.05 1u1d s ALA 112 N -2.78 -1.62 0.02 6.62 0.00 -1.26 -0.55 121.76 122.19 1u1d s ALA 112 Ca -0.11 0.51 0.08 0.00 0.00 0.00 0.00 51.96 52.45 1u1d s ALA 112 Cb 0.04 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 1u1d s ALA 112 CO 0.91 -0.80 -0.25 -1.12 0.00 0.00 0.00 175.76 174.50 1u1d s SER 113 N -2.71 2.95 -0.02 0.00 0.01 -0.12 -2.04 113.70 111.77 1u1d s SER 113 Ca 0.04 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 1u1d s SER 113 Cb -0.02 -0.28 -0.05 0.00 0.21 0.00 0.00 66.02 65.88 1u1d s SER 113 CO -0.08 0.26 1.37 -0.69 0.41 0.00 0.00 173.24 174.50 1u1d s VAL 114 N -0.73 3.85 -1.10 3.43 1.01 0.16 -4.31 120.40 122.71 1u1d s VAL 114 Ca 0.10 1.20 -0.17 0.00 0.00 0.00 0.00 61.98 63.11 1u1d s VAL 114 Cb -0.10 -3.77 0.13 0.00 0.00 0.00 0.00 36.38 32.64 1u1d s VAL 114 CO 0.01 -0.01 1.37 -0.13 0.00 0.00 0.00 175.10 176.34 1u1d s ARG 115 N 2.52 3.85 -0.52 2.72 0.52 -1.26 -1.49 118.95 125.28 1u1d s ARG 115 Ca 0.62 -2.04 0.02 0.00 -0.52 0.00 0.00 55.73 53.81 1u1d s ARG 115 Cb -0.30 -5.11 0.57 0.00 0.52 0.00 0.00 34.95 30.63 1u1d s ARG 115 CO 0.25 -1.89 1.91 1.28 0.02 0.00 0.00 175.30 176.87 1u1d n LEU 116 N 6.72 6.88 -4.62 2.53 4.77 -0.49 -4.96 117.00 127.83 1u1d n LEU 116 Ca 0.33 -3.90 -0.28 0.00 -0.03 0.00 0.00 56.01 52.13 1u1d n LEU 116 Cb 0.46 -0.86 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1u1d n LEU 116 CO 0.61 1.25 -0.27 1.51 -1.33 0.00 0.00 177.39 179.16 1u1d s ASP 117 N -1.64 3.59 -0.17 -1.43 -4.77 -1.22 -1.51 116.67 109.51 1u1d s ASP 117 Ca 0.59 -1.49 0.08 0.00 -3.30 0.00 0.00 52.55 48.43 1u1d s ASP 117 Cb 0.48 0.02 -0.16 0.00 -1.09 0.00 0.00 42.92 42.17 1u1d s ASP 117 CO 0.06 -0.64 -0.05 0.61 0.70 0.00 0.00 175.17 175.84 1u1d n GLY 118 N -1.00 -0.53 0.28 2.12 0.00 -1.26 -4.67 105.19 100.12 1u1d n GLY 118 Ca -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 1u1d n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1d h ALA 119 N 0.41 1.34 -0.73 4.61 0.00 -1.98 -2.58 119.26 120.33 1u1d h ALA 119 Ca -0.43 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.35 1u1d h ALA 119 Cb 1.83 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1u1d h ALA 119 CO -0.02 0.46 0.48 0.66 0.00 0.00 0.00 179.25 180.83 1u1d h SER 120 N 0.58 0.66 0.40 0.00 4.64 -1.85 -1.02 113.55 116.96 1u1d h SER 120 Ca 0.13 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1u1d h SER 120 Cb 0.31 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1u1d h SER 120 CO 0.01 0.43 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.30 1u1d h LEU 121 N 0.75 0.00 0.00 5.97 3.38 -1.56 -1.72 115.31 122.13 1u1d h LEU 121 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1u1d h LEU 121 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1u1d h LEU 121 CO -0.10 0.02 0.00 1.41 0.09 0.00 0.00 178.44 179.85 1u1d n HIS 122 N -3.19 0.00 -0.01 1.13 8.25 -0.39 -3.80 115.22 117.22 1u1d n HIS 122 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1u1d n HIS 122 Cb 0.17 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 1u1d n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1d n PHE 123 N -1.27 0.00 -3.66 4.41 3.01 -0.72 -5.08 117.46 114.15 1u1d n PHE 123 Ca 0.14 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.46 1u1d n PHE 123 Cb 0.23 -0.07 -0.08 0.00 -0.01 0.00 0.00 39.48 39.55 1u1d n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1d s ALA 124 N -2.03 -1.30 0.87 4.37 0.00 -0.73 -5.01 121.76 117.93 1u1d s ALA 124 Ca -0.01 1.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.93 1u1d s ALA 124 Cb 0.00 -0.31 0.12 0.00 0.00 0.00 0.00 23.12 22.93 1u1d s ALA 124 CO 0.05 -0.29 1.12 -1.25 0.00 0.00 0.00 175.76 175.40 1u1d s PRO 125 N -0.67 1.40 0.44 0.00 0.04 -1.26 -3.84 135.00 131.11 1u1d s PRO 125 Ca -0.08 1.39 0.17 0.00 0.04 0.00 0.00 61.00 62.52 1u1d s PRO 125 Cb -0.03 -1.78 1.10 0.00 0.04 0.00 0.00 34.50 33.82 1u1d s PRO 125 CO 0.05 -2.31 1.93 1.25 0.04 0.00 0.00 177.00 177.95 1u1d h LEU 126 N -1.63 0.34 -2.31 -3.56 5.85 -1.93 -1.16 115.31 110.91 1u1d h LEU 126 Ca -0.44 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1u1d h LEU 126 Cb 1.26 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1u1d h LEU 126 CO 0.45 0.18 -0.04 1.05 -0.34 0.00 0.00 178.44 179.74 1u1d h GLU 127 N 0.37 0.00 -6.55 1.25 9.09 -2.03 -3.42 114.58 113.28 1u1d h GLU 127 Ca 0.36 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.24 1u1d h GLU 127 Cb 0.88 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.00 1u1d h GLU 127 CO -0.11 0.04 0.65 0.12 0.05 0.00 0.00 179.01 179.77 1u1d s PHE 128 N -4.21 3.32 0.08 2.06 2.19 -0.44 -4.99 117.98 115.99 1u1d s PHE 128 Ca -0.03 1.12 -0.30 0.00 0.33 0.00 0.00 56.93 58.04 1u1d s PHE 128 Cb 0.13 -3.57 -0.06 0.00 -1.31 0.00 0.00 43.02 38.21 1u1d s PHE 128 CO 0.52 -1.90 1.17 -1.25 1.83 0.00 0.00 175.22 175.58 1u1d s PRO 129 N 0.86 4.47 -1.29 10.12 0.04 -1.26 -4.93 135.00 143.00 1u1d s PRO 129 Ca 0.61 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 63.25 1u1d s PRO 129 Cb -0.34 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 1u1d s PRO 129 CO 0.31 -0.19 2.24 0.00 0.04 0.00 0.00 177.00 179.40 1u1d n ALA 130 N 3.63 5.23 -2.81 8.56 0.00 -1.26 -4.74 120.51 129.12 1u1d n ALA 130 Ca 0.08 -3.62 -0.37 0.00 0.00 0.00 0.00 53.44 49.53 1u1d n ALA 130 Cb 0.47 -3.52 -0.06 0.00 0.00 0.00 0.00 19.45 16.34 1u1d n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1d s VAL 131 N 3.50 5.43 0.52 0.00 0.11 -1.26 -0.94 120.40 127.76 1u1d s VAL 131 Ca 0.52 0.31 -0.18 0.00 -2.93 0.00 0.00 61.98 59.70 1u1d s VAL 131 Cb 0.14 -3.46 -0.07 0.00 -1.53 0.00 0.00 36.38 31.47 1u1d s VAL 131 CO -0.04 0.59 1.02 0.00 -3.33 0.00 0.00 175.10 173.35 1u1d s ALA 132 N -0.87 2.90 0.27 1.54 0.00 0.28 -4.68 121.76 121.20 1u1d s ALA 132 Ca 0.16 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1u1d s ALA 132 Cb -0.13 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1u1d s ALA 132 CO 0.05 -0.41 1.42 0.34 0.00 0.00 0.00 175.76 177.16 1u1d s ASP 133 N -2.60 6.66 0.21 0.00 2.15 0.30 -4.92 116.67 118.47 1u1d s ASP 133 Ca 0.63 2.69 -0.08 0.00 0.43 0.00 0.00 52.55 56.22 1u1d s ASP 133 Cb -0.13 -2.63 0.15 0.00 -0.30 0.00 0.00 42.92 40.01 1u1d s ASP 133 CO 0.28 -0.68 1.78 0.15 -0.17 0.00 0.00 175.17 176.53 1u1d h PHE 134 N 4.61 1.18 -0.48 -5.34 3.04 -1.95 -0.65 116.94 117.35 1u1d h PHE 134 Ca -0.47 -0.08 -0.13 0.00 3.98 0.00 0.00 57.97 61.27 1u1d h PHE 134 Cb 1.22 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 1u1d h PHE 134 CO 0.59 0.89 -0.22 0.93 -2.02 0.00 0.00 178.31 178.47 1u1d h GLU 135 N 1.13 1.00 -0.37 1.11 5.08 -1.95 -0.72 114.58 119.86 1u1d h GLU 135 Ca 0.26 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1u1d h GLU 135 Cb 0.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1u1d h GLU 135 CO -0.02 1.11 -0.01 0.00 -1.00 0.00 0.00 179.01 179.09 1u1d h THR 137 N 0.47 1.16 -0.28 0.00 2.02 -1.07 -1.64 112.91 113.57 1u1d h THR 137 Ca 0.10 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.90 1u1d h THR 137 Cb 0.48 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1u1d h THR 137 CO 0.02 0.17 0.08 0.74 0.37 0.00 0.00 175.52 176.89 1u1d h THR 138 N 0.51 0.90 -0.85 3.16 2.02 -1.05 -1.43 112.91 116.16 1u1d h THR 138 Ca 0.14 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1u1d h THR 138 Cb 0.08 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1u1d h THR 138 CO -0.02 0.04 0.49 0.00 0.37 0.00 0.00 175.52 176.39 1u1d h ALA 139 N 1.19 1.26 -0.31 6.16 0.00 -1.02 -0.07 119.26 126.48 1u1d h ALA 139 Ca 0.13 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1u1d h ALA 139 Cb 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1u1d h ALA 139 CO -0.15 0.62 -0.23 -0.07 0.00 0.00 0.00 179.25 179.42 1u1d h LEU 140 N 1.18 0.74 -0.55 0.00 3.38 -1.05 0.09 115.31 119.10 1u1d h LEU 140 Ca 0.30 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1u1d h LEU 140 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1u1d h LEU 140 CO -0.05 1.02 0.18 0.58 0.09 0.00 0.00 178.44 180.26 1u1d h VAL 141 N 0.46 1.23 -0.52 1.22 2.07 -1.01 -0.68 116.25 119.03 1u1d h VAL 141 Ca 0.06 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 1u1d h VAL 141 Cb 0.78 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1u1d h VAL 141 CO 0.06 0.29 -0.09 -0.33 0.02 0.00 0.00 177.57 177.52 1u1d h GLU 142 N 0.76 0.95 -0.45 1.57 4.39 -0.98 -2.24 114.58 118.60 1u1d h GLU 142 Ca 0.18 -0.33 -0.11 0.00 0.34 0.00 0.00 59.36 59.44 1u1d h GLU 142 Cb 0.27 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1u1d h GLU 142 CO -0.01 1.00 -0.15 0.00 -1.16 0.00 0.00 179.01 178.69 1u1d h ALA 143 N 1.03 0.89 -0.55 3.43 0.00 -0.79 0.16 119.26 123.43 1u1d h ALA 143 Ca 0.14 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1u1d h ALA 143 Cb 0.63 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1u1d h ALA 143 CO 0.04 0.63 0.06 0.00 0.00 0.00 0.00 179.25 179.98 1u1d h ALA 144 N 1.08 1.06 0.00 0.00 0.00 -1.02 -2.12 119.26 118.26 1u1d h ALA 144 Ca 0.12 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1u1d h ALA 144 Cb 0.66 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1u1d h ALA 144 CO 0.05 0.60 -0.51 1.57 0.00 0.00 0.00 179.25 180.96 1u1d h LYS 145 N 0.84 0.00 0.07 0.00 2.10 -1.19 -2.07 116.57 116.32 1u1d h LYS 145 Ca 0.17 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1u1d h LYS 145 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1u1d h LYS 145 CO 0.01 0.51 -0.03 1.03 -2.00 0.00 0.00 179.45 178.97 1u1d h SER 146 N 0.00 -0.08 0.84 7.07 0.87 -0.56 -3.28 113.55 118.41 1u1d h SER 146 Ca -0.01 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1u1d h SER 146 Cb 1.13 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1u1d h SER 146 CO 0.07 0.40 -0.32 2.30 -0.53 0.00 0.00 176.83 178.75 1u1d n ILE 147 N -4.90 0.14 -0.90 2.23 -5.35 -0.83 -5.02 119.36 104.72 1u1d n ILE 147 Ca -0.08 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1u1d n ILE 147 Cb 0.26 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 1u1d n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u1d n GLY 148 N 1.45 -2.15 3.38 3.28 0.00 -0.81 -5.10 105.19 105.23 1u1d n GLY 148 Ca 0.06 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 1u1d n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1d s ALA 149 N 0.00 -1.29 -0.61 4.61 0.00 -0.99 -4.99 121.76 118.49 1u1d s ALA 149 Ca 0.00 0.58 -0.28 0.00 0.00 0.00 0.00 51.96 52.26 1u1d s ALA 149 Cb 0.00 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.51 1u1d s ALA 149 CO 0.00 -0.49 1.20 0.99 0.00 0.00 0.00 175.76 177.46 1u1d s THR 150 N -2.39 3.97 -0.06 0.00 2.01 -1.26 -4.84 115.64 113.07 1u1d s THR 150 Ca -0.06 0.79 0.03 0.00 0.31 0.00 0.00 61.69 62.76 1u1d s THR 150 Cb -0.01 -4.76 -0.02 0.00 0.01 0.00 0.00 72.50 67.72 1u1d s THR 150 CO -0.01 -1.44 -0.14 -0.89 -0.69 0.00 0.00 174.62 171.45 1u1d s THR 151 N 5.07 3.09 -0.05 -0.82 2.01 -1.26 -0.94 115.64 122.74 1u1d s THR 151 Ca 0.41 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.76 1u1d s THR 151 Cb -0.08 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 1u1d s THR 151 CO 0.23 0.58 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.54 1u1d s HIS 152 N -0.57 1.99 -0.13 4.92 3.76 -0.53 -4.98 115.29 119.75 1u1d s HIS 152 Ca 0.08 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 1u1d s HIS 152 Cb -0.11 -1.32 -0.01 0.00 1.11 0.00 0.00 32.58 32.24 1u1d s HIS 152 CO 0.01 -0.19 -0.14 0.08 -0.85 0.00 0.00 174.74 173.65 1u1d s VAL 153 N -0.01 2.92 -2.86 -0.90 1.01 -1.26 -1.57 120.40 117.72 1u1d s VAL 153 Ca -0.04 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1u1d s VAL 153 Cb -0.13 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1u1d s VAL 153 CO 0.03 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1d n GLY 154 N 3.56 -0.59 3.82 4.51 0.00 -0.94 -4.98 105.19 110.56 1u1d n GLY 154 Ca -0.18 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 1u1d n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1d s VAL 155 N -3.66 4.78 -0.04 1.61 1.01 -1.26 -1.39 120.40 121.44 1u1d s VAL 155 Ca 0.00 1.15 0.06 0.00 0.00 0.00 0.00 61.98 63.19 1u1d s VAL 155 Cb 0.00 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1u1d s VAL 155 CO 0.00 0.54 -0.22 -0.89 0.00 0.00 0.00 175.10 174.52 1u1d s THR 156 N -1.13 2.34 -0.33 3.92 2.01 -0.87 -0.90 115.64 120.68 1u1d s THR 156 Ca 0.29 -0.99 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 1u1d s THR 156 Cb -0.19 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 1u1d s THR 156 CO 0.18 0.58 0.70 0.00 -0.69 0.00 0.00 174.62 175.39 1u1d s ALA 157 N -0.48 3.49 -0.38 7.40 0.00 0.09 0.39 121.76 132.27 1u1d s ALA 157 Ca 0.06 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 1u1d s ALA 157 Cb -0.11 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 19.84 1u1d s ALA 157 CO 0.01 -1.24 0.20 0.45 0.00 0.00 0.00 175.76 175.18 1u1d s SER 158 N 1.71 5.58 0.00 0.00 0.15 -0.56 -1.93 113.70 118.65 1u1d s SER 158 Ca 0.28 -1.23 0.01 0.00 0.70 0.00 0.00 55.95 55.70 1u1d s SER 158 Cb -0.14 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1u1d s SER 158 CO 0.14 -0.43 0.02 -0.55 1.20 0.00 0.00 173.24 173.62 1u1d s SER 159 N 1.72 5.28 0.00 5.45 0.15 0.12 -1.40 113.70 125.02 1u1d s SER 159 Ca 0.01 0.03 0.24 0.00 0.70 0.00 0.00 55.95 56.94 1u1d s SER 159 Cb -0.21 -1.42 1.08 0.00 -1.71 0.00 0.00 66.02 63.76 1u1d s SER 159 CO 0.04 0.27 1.79 0.47 1.20 0.00 0.00 173.24 177.01 1u1d n ASP 160 N 1.30 0.00 -4.25 5.45 9.92 -0.57 -4.36 116.55 124.04 1u1d n ASP 160 Ca -0.14 0.41 -0.17 0.00 -0.53 0.00 0.00 54.79 54.36 1u1d n ASP 160 Cb 0.53 -0.47 -0.11 0.00 -0.64 0.00 0.00 41.12 40.43 1u1d n ASP 160 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1u1d s THR 161 N -2.93 1.33 0.04 -3.53 -4.23 -1.26 -5.02 115.64 100.03 1u1d s THR 161 Ca 0.14 -1.82 0.06 0.00 -1.18 0.00 0.00 61.69 58.89 1u1d s THR 161 Cb 0.16 -1.63 -0.23 0.00 1.34 0.00 0.00 72.50 72.14 1u1d s THR 161 CO 0.43 -0.50 0.97 0.15 -0.54 0.00 0.00 174.62 175.13 1u1d h PHE 162 N 3.30 0.11 0.00 3.99 3.57 -1.97 -3.39 116.94 122.55 1u1d h PHE 162 Ca -0.39 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1u1d h PHE 162 Cb 1.20 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1u1d h PHE 162 CO 0.66 1.10 0.00 0.66 -2.23 0.00 0.00 178.31 178.49 1u1d n TYR 163 N -3.27 0.00 -0.13 0.41 4.02 -1.26 -4.33 117.16 112.60 1u1d n TYR 163 Ca -0.10 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.74 1u1d n TYR 163 Cb 1.00 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 40.46 1u1d n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1d h PRO 164 N 0.00 0.85 0.00 -0.72 0.13 -1.88 0.14 132.00 130.52 1u1d h PRO 164 Ca 0.00 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1u1d h PRO 164 Cb 0.00 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.03 1u1d h PRO 164 CO 0.00 0.85 0.00 0.78 -0.23 0.00 0.00 178.00 179.40 1u1d h GLY 165 N 0.99 0.00 -1.67 1.56 0.00 -1.86 -0.99 103.07 101.09 1u1d h GLY 165 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1u1d h GLY 165 CO 0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.50 1u1d n GLN 166 N -2.45 3.03 -3.97 4.80 6.02 -0.92 -4.93 117.38 118.96 1u1d n GLN 166 Ca 0.02 -2.74 -0.27 0.00 -0.01 0.00 0.00 57.00 54.00 1u1d n GLN 166 Cb 0.24 -1.78 -0.02 0.00 1.02 0.00 0.00 30.24 29.70 1u1d n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u1d n GLU 167 N -0.27 -2.85 -3.27 -1.09 2.13 -0.38 -4.94 120.64 109.98 1u1d n GLU 167 Ca 0.20 0.37 -0.38 0.00 0.66 0.00 0.00 57.16 58.01 1u1d n GLU 167 Cb 0.83 -4.36 -0.06 0.00 0.27 0.00 0.00 31.44 28.13 1u1d n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1u1d s ARG 168 N -6.61 4.34 -0.00 5.31 0.52 0.43 -4.96 118.95 117.97 1u1d s ARG 168 Ca 0.05 0.50 0.16 0.00 -0.52 0.00 0.00 55.73 55.91 1u1d s ARG 168 Cb -0.02 -3.45 -0.18 0.00 0.52 0.00 0.00 34.95 31.82 1u1d s ARG 168 CO 0.90 0.11 0.65 0.66 0.02 0.00 0.00 175.30 177.64 1u1d n TYR 169 N 3.81 0.00 -1.19 -0.53 4.02 -1.26 -4.37 117.16 117.64 1u1d n TYR 169 Ca -0.06 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.48 1u1d n TYR 169 Cb 0.51 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.78 1u1d n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1u1d n ASP 170 N -1.43 6.45 -4.08 7.72 5.75 -1.26 -4.24 116.55 125.46 1u1d n ASP 170 Ca 0.03 -2.54 -0.24 0.00 -0.01 0.00 0.00 54.79 52.02 1u1d n ASP 170 Cb 0.26 -1.40 -0.08 0.00 -1.03 0.00 0.00 41.12 38.86 1u1d n ASP 170 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1u1d s THR 171 N 2.91 0.57 0.11 2.12 -4.23 -1.26 -5.03 115.64 110.84 1u1d s THR 171 Ca 0.57 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.87 1u1d s THR 171 Cb 0.15 -2.41 -0.08 0.00 1.34 0.00 0.00 72.50 71.50 1u1d s THR 171 CO -0.04 0.00 1.73 0.22 -0.54 0.00 0.00 174.62 175.99 1u1d h TYR 172 N 1.88 0.02 0.04 3.99 5.03 -1.99 -3.16 116.97 122.78 1u1d h TYR 172 Ca -0.35 0.01 -0.25 0.00 2.58 0.00 0.00 58.73 60.72 1u1d h TYR 172 Cb 1.27 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.54 1u1d h TYR 172 CO 1.40 -0.00 -1.22 0.66 -1.32 0.00 0.00 178.16 177.67 1u1d h SER 173 N 0.06 0.13 -0.20 -2.11 4.64 -1.97 -3.47 113.55 110.63 1u1d h SER 173 Ca 0.06 -0.16 -0.09 0.00 -0.47 0.00 0.00 61.79 61.13 1u1d h SER 173 Cb 0.06 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1u1d h SER 173 CO -0.09 1.13 -0.08 0.61 -0.87 0.00 0.00 176.83 177.53 1u1d n GLY 174 N 1.46 0.65 3.38 -0.77 0.00 -1.20 -5.01 105.19 103.70 1u1d n GLY 174 Ca -0.06 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 1u1d n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1d s ARG 175 N -1.76 1.39 -0.06 1.61 1.70 -1.26 -4.93 118.95 115.64 1u1d s ARG 175 Ca 0.00 -1.42 0.04 0.00 -0.47 0.00 0.00 55.73 53.88 1u1d s ARG 175 Cb 0.00 -1.69 0.00 0.00 -0.57 0.00 0.00 34.95 32.69 1u1d s ARG 175 CO 0.00 0.37 -0.17 0.08 -1.08 0.00 0.00 175.30 174.50 1u1d s VAL 176 N -1.55 1.48 0.49 4.99 1.01 -1.26 -4.92 120.40 120.64 1u1d s VAL 176 Ca 0.16 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 1u1d s VAL 176 Cb -0.08 -1.29 -0.08 0.00 0.00 0.00 0.00 36.38 34.92 1u1d s VAL 176 CO 0.08 0.43 1.04 0.55 0.00 0.00 0.00 175.10 177.19 1u1d n VAL 177 N 3.45 2.95 -0.30 2.92 3.14 -1.26 -4.62 118.33 124.61 1u1d n VAL 177 Ca -0.20 -0.50 0.12 0.00 -2.96 0.00 0.00 64.34 60.80 1u1d n VAL 177 Cb 0.52 -1.23 0.27 0.00 -1.06 0.00 0.00 33.84 32.34 1u1d n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1d h ARG 178 N 1.22 0.13 -0.72 1.45 2.43 -2.00 -0.31 114.38 116.58 1u1d h ARG 178 Ca -0.47 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 58.81 1u1d h ARG 178 Cb 1.34 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 1u1d h ARG 178 CO 0.55 0.08 0.47 1.25 -1.51 0.00 0.00 179.97 180.82 1u1d h HIS 179 N 0.13 0.58 -0.02 2.20 2.76 -2.02 -2.29 115.15 116.49 1u1d h HIS 179 Ca 0.55 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.73 1u1d h HIS 179 Cb 1.10 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.87 1u1d h HIS 179 CO -0.34 0.26 -0.05 1.19 -1.30 0.00 0.00 177.93 177.69 1u1d n PHE 180 N -4.49 0.00 -2.12 5.26 3.01 -0.18 -4.79 117.46 114.15 1u1d n PHE 180 Ca 0.12 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.16 1u1d n PHE 180 Cb 0.40 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.84 1u1d n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1d s LYS 181 N -1.71 4.21 -0.05 -1.08 -0.14 -0.86 -2.14 119.74 117.97 1u1d s LYS 181 Ca 0.22 2.06 0.00 0.00 -1.36 0.00 0.00 55.97 56.90 1u1d s LYS 181 Cb 0.16 -3.83 0.00 0.00 -1.68 0.00 0.00 37.83 32.48 1u1d s LYS 181 CO 0.27 -0.76 0.00 0.41 -0.76 0.00 0.00 175.35 174.52 1u1d n GLY 182 N 3.93 0.44 0.22 -3.33 0.00 -1.26 -4.94 105.19 100.26 1u1d n GLY 182 Ca 0.16 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1u1d n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1d h SER 183 N 0.00 0.73 -0.39 1.61 4.64 -1.74 -2.96 113.55 115.44 1u1d h SER 183 Ca -0.01 -0.39 -0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1u1d h SER 183 Cb 0.19 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1u1d h SER 183 CO 0.01 1.14 0.23 -0.03 -0.87 0.00 0.00 176.83 177.30 1u1d h MET 184 N 0.50 0.54 -0.78 4.77 -1.53 -1.92 -0.66 114.93 115.84 1u1d h MET 184 Ca 0.01 -0.06 0.03 0.00 -3.44 0.00 0.00 59.70 56.24 1u1d h MET 184 Cb 1.13 -0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 32.02 1u1d h MET 184 CO 0.11 0.42 0.51 1.49 0.14 0.00 0.00 176.91 179.58 1u1d h GLU 185 N 0.51 0.96 -0.09 0.39 4.81 -1.97 0.54 114.58 119.73 1u1d h GLU 185 Ca 0.14 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1u1d h GLU 185 Cb 0.03 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 1u1d h GLU 185 CO -0.02 0.63 0.01 1.49 -0.73 0.00 0.00 179.01 180.39 1u1d h GLU 186 N 0.99 0.15 -0.88 1.92 4.57 -1.25 -1.62 114.58 118.46 1u1d h GLU 186 Ca 0.30 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 1u1d h GLU 186 Cb -0.01 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 1u1d h GLU 186 CO -0.08 0.36 0.46 -1.49 -1.18 0.00 0.00 179.01 177.08 1u1d h TRP 187 N -0.08 1.23 -0.30 0.92 -0.00 -0.78 -2.03 115.95 114.90 1u1d h TRP 187 Ca 0.03 -0.04 0.03 0.00 -0.00 0.00 0.00 58.89 58.90 1u1d h TRP 187 Cb 0.28 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.16 29.03 1u1d h TRP 187 CO 0.02 0.87 0.12 1.96 -0.00 0.00 0.00 178.44 181.40 1u1d h GLN 188 N 1.24 0.25 0.00 0.49 4.20 -0.81 -1.16 115.11 119.31 1u1d h GLN 188 Ca 0.31 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.97 1u1d h GLN 188 Cb 0.07 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1u1d h GLN 188 CO -0.04 0.16 -0.16 0.00 -0.67 0.00 0.00 178.83 178.12 1u1d h ALA 189 N 1.18 1.63 -0.03 3.87 0.00 -1.05 -2.20 119.26 122.66 1u1d h ALA 189 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u1d h ALA 189 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1u1d h ALA 189 CO -0.13 0.20 0.00 -1.33 0.00 0.00 0.00 179.25 177.99 1u1d n MET 190 N -4.19 1.39 -0.88 0.00 2.81 -0.79 -4.92 117.12 110.54 1u1d n MET 190 Ca -0.02 -0.58 0.00 0.00 -1.81 0.00 0.00 57.70 55.29 1u1d n MET 190 Cb 0.23 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 1u1d n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1d n GLY 191 N 1.07 0.53 3.72 3.03 0.00 -0.83 -5.02 105.19 107.70 1u1d n GLY 191 Ca 0.20 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1u1d n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1d s VAL 192 N -2.00 2.61 0.05 1.61 1.01 -0.51 -4.61 120.40 118.56 1u1d s VAL 192 Ca 0.00 0.44 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 1u1d s VAL 192 Cb 0.00 -3.28 -0.29 0.00 0.00 0.00 0.00 36.38 32.81 1u1d s VAL 192 CO 0.00 0.04 1.09 0.24 0.00 0.00 0.00 175.10 176.47 1u1d h MET 193 N 6.74 0.61 -2.67 2.72 0.00 -1.35 -3.41 114.93 117.57 1u1d h MET 193 Ca -0.43 -0.81 0.11 0.00 0.00 0.00 0.00 59.70 58.58 1u1d h MET 193 Cb 1.20 0.27 -0.07 0.00 0.00 0.00 0.00 31.60 33.00 1u1d h MET 193 CO 0.91 1.37 0.35 0.54 0.00 0.00 0.00 176.91 180.08 1u1d s ASN 194 N -7.38 -0.25 -0.11 1.22 6.03 -1.26 -0.75 114.94 112.44 1u1d s ASN 194 Ca -0.10 -0.45 0.00 0.00 -1.03 0.00 0.00 52.86 51.28 1u1d s ASN 194 Cb 0.05 0.60 -0.02 0.00 -3.03 0.00 0.00 41.25 38.85 1u1d s ASN 194 CO 0.93 -1.09 -0.11 -0.31 -2.03 0.00 0.00 177.10 174.48 1u1d s TYR 195 N -3.59 2.83 0.00 1.54 1.51 -0.23 -0.73 117.35 118.68 1u1d s TYR 195 Ca 0.11 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1u1d s TYR 195 Cb -0.03 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.01 1u1d s TYR 195 CO 0.03 -0.05 0.00 -0.85 -1.11 0.00 0.00 175.55 173.57 1u1d n GLU 196 N 3.14 0.00 0.00 -0.62 -0.00 -0.81 -2.59 120.64 119.76 1u1d n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1u1d n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1u1d n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1d n MET 197 N 0.00 0.64 0.00 3.44 2.81 -1.26 -0.70 117.12 122.05 1u1d n MET 197 Ca 0.00 -0.70 0.00 0.00 -1.81 0.00 0.00 57.70 55.19 1u1d n MET 197 Cb 0.00 -0.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 1u1d n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1d n GLU 198 N -0.15 3.23 -0.28 0.03 4.71 -1.26 -3.48 120.64 123.44 1u1d n GLU 198 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.09 1u1d n GLU 198 Cb 0.24 -0.71 0.06 0.00 -1.01 0.00 0.00 31.44 30.02 1u1d n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1d h SER 199 N 0.00 1.05 -0.44 1.62 4.64 -1.94 -1.68 113.55 116.80 1u1d h SER 199 Ca 0.00 -0.16 0.04 0.00 -0.47 0.00 0.00 61.79 61.20 1u1d h SER 199 Cb 0.06 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.83 1u1d h SER 199 CO 0.00 0.93 0.19 0.00 -0.87 0.00 0.00 176.83 177.08 1u1d h ALA 200 N 1.16 0.54 0.24 5.18 0.00 -1.87 0.23 119.26 124.73 1u1d h ALA 200 Ca 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1u1d h ALA 200 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1u1d h ALA 200 CO -0.02 -0.18 -0.11 1.15 0.00 0.00 0.00 179.25 180.08 1u1d h THR 201 N 0.39 0.82 0.09 0.00 2.02 -1.87 -2.04 112.91 112.31 1u1d h THR 201 Ca 0.20 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 66.98 1u1d h THR 201 Cb 0.14 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1u1d h THR 201 CO -0.17 0.09 -0.21 0.25 0.37 0.00 0.00 175.52 175.85 1u1d h LEU 202 N -0.53 -0.60 -0.60 2.58 5.85 -1.10 -1.20 115.31 119.71 1u1d h LEU 202 Ca -0.03 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 1u1d h LEU 202 Cb 0.40 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1u1d h LEU 202 CO 0.05 -0.29 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.79 1u1d h LEU 203 N -0.39 1.05 -0.01 2.25 3.38 -0.62 -1.96 115.31 119.01 1u1d h LEU 203 Ca 0.03 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1u1d h LEU 203 Cb 0.42 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1u1d h LEU 203 CO -0.13 1.10 0.00 0.74 0.09 0.00 0.00 178.44 180.24 1u1d h THR 204 N 0.96 1.23 0.00 0.22 2.02 -1.30 -1.16 112.91 114.88 1u1d h THR 204 Ca 0.17 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 1u1d h THR 204 Cb 0.57 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1u1d h THR 204 CO 0.03 0.18 -0.29 0.00 0.37 0.00 0.00 175.52 175.81 1u1d h MET 205 N -0.26 0.00 0.10 6.66 -0.00 -1.17 -1.77 114.93 118.49 1u1d h MET 205 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.55 1u1d h MET 205 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.90 1u1d h MET 205 CO 0.00 0.29 -0.69 0.00 -0.00 0.00 0.00 176.91 176.51 1u1d h ALA 207 N 0.04 1.31 -0.27 0.00 0.00 -1.11 0.26 119.26 119.49 1u1d h ALA 207 Ca -0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1u1d h ALA 207 Cb 1.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1u1d h ALA 207 CO 0.10 0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 1u1d n SER 208 N -3.73 2.95 -0.13 0.00 3.41 -0.67 -4.26 113.62 111.20 1u1d n SER 208 Ca -0.02 -1.92 0.02 0.00 -0.26 0.00 0.00 58.87 56.69 1u1d n SER 208 Cb 0.27 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.07 1u1d n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1d n GLN 209 N 1.18 0.94 -1.73 4.33 6.02 -0.93 -5.01 117.38 122.17 1u1d n GLN 209 Ca 0.18 -1.20 -0.08 0.00 -0.01 0.00 0.00 57.00 55.89 1u1d n GLN 209 Cb 0.54 -0.78 -0.02 0.00 1.02 0.00 0.00 30.24 31.00 1u1d n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1d n GLY 210 N -0.35 0.47 3.68 1.08 0.00 -0.97 -5.03 105.19 104.07 1u1d n GLY 210 Ca 0.03 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1u1d n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1d s LEU 211 N -2.09 3.50 -0.07 0.99 1.43 0.04 -5.05 118.68 117.43 1u1d s LEU 211 Ca 0.00 -0.00 -0.21 0.00 -1.03 0.00 0.00 54.13 52.89 1u1d s LEU 211 Cb 0.00 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1u1d s LEU 211 CO 0.00 0.29 0.61 -0.13 0.23 0.00 0.00 176.35 177.34 1u1d s ARG 212 N -1.50 4.38 -0.00 1.70 0.52 -0.67 -3.85 118.95 119.53 1u1d s ARG 212 Ca 0.19 0.71 0.01 0.00 -0.52 0.00 0.00 55.73 56.13 1u1d s ARG 212 Cb -0.11 -3.42 -0.00 0.00 0.52 0.00 0.00 34.95 31.93 1u1d s ARG 212 CO 0.09 0.15 -0.05 0.00 0.02 0.00 0.00 175.30 175.52 1u1d s ALA 213 N 0.55 0.40 0.11 2.13 0.00 -1.26 -0.10 121.76 123.58 1u1d s ALA 213 Ca 0.32 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.13 1u1d s ALA 213 Cb -0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1u1d s ALA 213 CO 0.15 0.10 -0.13 0.20 0.00 0.00 0.00 175.76 176.08 1u1d s GLY 214 N -0.10 0.99 -0.05 0.00 0.00 -0.11 -0.54 107.32 107.51 1u1d s GLY 214 Ca 0.02 -1.22 -0.01 0.00 0.00 0.00 0.00 44.72 43.52 1u1d s GLY 214 CO -0.00 -1.27 -0.00 -0.29 0.00 0.00 0.00 173.10 171.54 1u1d s MET 215 N -2.50 0.51 0.01 2.90 1.75 -1.26 -0.81 119.30 119.90 1u1d s MET 215 Ca 0.06 0.09 0.02 0.00 -1.25 0.00 0.00 55.69 54.62 1u1d s MET 215 Cb -0.06 -0.80 -0.01 0.00 2.84 0.00 0.00 34.83 36.80 1u1d s MET 215 CO 0.02 -0.23 -0.07 0.54 -0.65 0.00 0.00 175.02 174.63 1u1d s VAL 216 N 1.62 0.52 -0.04 10.11 0.11 -0.23 -1.67 120.40 130.82 1u1d s VAL 216 Ca -0.01 -0.58 -0.10 0.00 -2.93 0.00 0.00 61.98 58.36 1u1d s VAL 216 Cb -0.13 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1u1d s VAL 216 CO -0.03 -0.06 0.24 0.00 -3.33 0.00 0.00 175.10 171.91 1u1d s ALA 217 N -0.61 -0.59 -0.16 1.54 0.00 -0.38 -1.14 121.76 120.42 1u1d s ALA 217 Ca -0.02 0.35 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 1u1d s ALA 217 Cb -0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 1u1d s ALA 217 CO 0.00 -0.19 0.23 0.20 0.00 0.00 0.00 175.76 176.00 1u1d s GLY 218 N -0.75 2.17 -0.32 0.00 0.00 -0.82 -0.63 107.32 106.97 1u1d s GLY 218 Ca -0.08 -0.54 -0.29 0.00 0.00 0.00 0.00 44.72 43.81 1u1d s GLY 218 CO 0.02 0.21 1.15 0.14 0.00 0.00 0.00 173.10 174.62 1u1d s VAL 219 N 0.13 4.38 -0.58 1.40 1.01 -0.17 -2.18 120.40 124.39 1u1d s VAL 219 Ca 0.14 1.58 0.12 0.00 0.00 0.00 0.00 61.98 63.81 1u1d s VAL 219 Cb -0.12 -4.34 -0.12 0.00 0.00 0.00 0.00 36.38 31.80 1u1d s VAL 219 CO 0.03 -0.49 0.51 2.30 0.00 0.00 0.00 175.10 177.44 1u1d n ILE 220 N 6.00 0.00 -3.73 2.22 -5.35 -1.02 0.02 119.36 117.50 1u1d n ILE 220 Ca 0.13 -0.23 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 1u1d n ILE 220 Cb 0.47 1.01 -0.10 0.00 -1.74 0.00 0.00 39.64 39.27 1u1d n ILE 220 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1u1d s VAL 221 N -2.06 -0.01 -0.21 7.28 1.01 -1.24 -4.37 120.40 120.81 1u1d s VAL 221 Ca 0.05 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1u1d s VAL 221 Cb 0.09 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 1u1d s VAL 221 CO 0.47 0.01 -0.04 0.21 0.00 0.00 0.00 175.10 175.74 1u1d s ASN 222 N 0.43 4.38 0.54 3.32 3.84 -1.26 -0.33 114.94 125.86 1u1d s ASN 222 Ca -0.02 -0.35 0.32 0.00 0.21 0.00 0.00 52.86 53.02 1u1d s ASN 222 Cb -0.04 -1.74 1.50 0.00 -0.55 0.00 0.00 41.25 40.42 1u1d s ASN 222 CO -0.02 0.01 2.05 0.03 -2.79 0.00 0.00 177.10 176.38 1u1d h ARG 223 N 7.88 0.00 0.00 0.43 2.47 -0.53 0.34 114.38 124.96 1u1d h ARG 223 Ca -0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1u1d h ARG 223 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1u1d h ARG 223 CO 0.60 0.07 -0.11 1.79 0.56 0.00 0.00 179.97 182.88 1u1d h THR 224 N 0.00 0.00 0.00 2.04 1.35 -1.86 -3.38 112.91 111.06 1u1d h THR 224 Ca -0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1u1d h THR 224 Cb 0.42 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1u1d h THR 224 CO 0.01 0.00 -0.97 0.00 -0.25 0.00 0.00 175.52 174.31 1u1d n GLN 225 N -2.56 1.52 -3.91 4.72 10.64 -0.93 -5.11 117.38 121.75 1u1d n GLN 225 Ca 0.05 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.13 1u1d n GLN 225 Cb 0.47 -0.98 -0.02 0.00 -0.86 0.00 0.00 30.24 28.84 1u1d n GLN 225 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1u1d s GLN 226 N -1.95 1.79 0.00 2.61 0.00 0.06 -5.05 119.66 117.12 1u1d s GLN 226 Ca 0.00 -1.17 0.00 0.00 -0.00 0.00 0.00 55.36 54.19 1u1d s GLN 226 Cb 0.00 0.56 0.00 0.00 0.00 0.00 0.00 33.01 33.57 1u1d s GLN 226 CO 0.00 -0.80 0.00 -1.91 0.00 0.00 0.00 175.29 172.58 1u1d n GLU 227 N -0.45 0.46 -3.48 9.60 4.07 -1.26 -3.88 120.64 125.69 1u1d n GLU 227 Ca -0.04 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.69 1u1d n GLU 227 Cb 0.60 -0.98 -0.08 0.00 -0.06 0.00 0.00 31.44 30.92 1u1d n GLU 227 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1u1d s ILE 228 N -1.95 5.26 0.66 6.31 1.01 -1.26 -5.01 121.20 126.22 1u1d s ILE 228 Ca 0.00 0.53 -0.14 0.00 0.00 0.00 0.00 60.65 61.05 1u1d s ILE 228 Cb 0.00 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.82 1u1d s ILE 228 CO 0.00 0.29 1.08 -2.16 0.00 0.00 0.00 174.94 174.15 1u1d s PRO 229 N 1.14 2.94 -0.10 2.79 0.04 -1.26 -5.01 135.00 135.54 1u1d s PRO 229 Ca 0.15 1.21 -0.25 0.00 0.04 0.00 0.00 61.00 62.15 1u1d s PRO 229 Cb -0.14 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1u1d s PRO 229 CO 0.06 -1.12 0.78 1.21 0.04 0.00 0.00 177.00 177.98 1u1d s ASN 230 N -3.00 7.02 -0.82 6.66 2.47 -1.26 -4.96 114.94 121.05 1u1d s ASN 230 Ca 0.63 1.24 -0.08 0.00 0.42 0.00 0.00 52.86 55.07 1u1d s ASN 230 Cb -0.17 -2.45 -0.18 0.00 -1.45 0.00 0.00 41.25 37.01 1u1d s ASN 230 CO 0.44 -0.24 3.26 0.00 -3.72 0.00 0.00 177.10 176.85 1u1d n ALA 231 N 4.36 6.92 0.00 1.71 0.00 -1.26 -1.79 120.51 130.45 1u1d n ALA 231 Ca 0.02 -2.66 0.00 0.00 0.00 0.00 0.00 53.44 50.80 1u1d n ALA 231 Cb 0.50 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.10 1u1d n ALA 231 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1u1d n GLU 232 N 3.06 0.00 0.22 0.00 0.00 -1.26 -4.88 120.64 117.78 1u1d n GLU 232 Ca 0.61 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.83 1u1d n GLU 232 Cb 0.56 0.00 0.51 0.00 0.00 0.00 0.00 31.44 32.51 1u1d n GLU 232 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1u1d h THR 233 N 0.00 0.96 0.01 6.31 2.02 -1.96 -2.01 112.91 118.24 1u1d h THR 233 Ca 0.00 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1u1d h THR 233 Cb 0.00 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1u1d h THR 233 CO 0.00 0.24 -0.03 0.24 0.37 0.00 0.00 175.52 176.34 1u1d h MET 234 N 0.00 -0.06 -0.54 6.66 2.86 -1.69 -0.22 114.93 121.94 1u1d h MET 234 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1u1d h MET 234 Cb 0.50 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1u1d h MET 234 CO 0.03 -0.04 0.17 0.87 1.06 0.00 0.00 176.91 179.00 1u1d h LYS 235 N -0.06 0.83 -0.62 1.72 6.56 -1.75 -1.09 116.57 122.16 1u1d h LYS 235 Ca 0.01 -0.18 -0.06 0.00 -1.06 0.00 0.00 60.65 59.36 1u1d h LYS 235 Cb 0.07 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.59 1u1d h LYS 235 CO -0.02 0.77 0.16 0.37 -2.06 0.00 0.00 179.45 178.66 1u1d h GLN 236 N 0.74 0.98 -0.35 3.15 5.75 -1.33 -1.93 115.11 122.13 1u1d h GLN 236 Ca 0.17 -0.23 -0.13 0.00 -0.15 0.00 0.00 58.65 58.31 1u1d h GLN 236 Cb 0.28 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 1u1d h GLN 236 CO -0.01 0.89 -0.29 1.15 -2.65 0.00 0.00 178.83 177.93 1u1d h THR 237 N 0.90 1.29 -0.51 2.39 2.02 -0.91 -1.66 112.91 116.44 1u1d h THR 237 Ca 0.20 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1u1d h THR 237 Cb 0.34 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1u1d h THR 237 CO -0.00 0.48 0.32 -0.08 0.37 0.00 0.00 175.52 176.60 1u1d h GLU 238 N 0.59 0.68 -0.88 6.66 4.81 -1.15 -0.67 114.58 124.62 1u1d h GLU 238 Ca 0.06 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1u1d h GLU 238 Cb 0.86 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 1u1d h GLU 238 CO 0.07 0.47 0.51 0.77 -0.73 0.00 0.00 179.01 180.10 1u1d h SER 239 N 0.68 1.07 0.36 1.04 0.02 -1.29 -0.80 113.55 114.63 1u1d h SER 239 Ca 0.18 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1u1d h SER 239 Cb -0.04 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.23 1u1d h SER 239 CO -0.04 0.84 -0.17 -0.74 -1.14 0.00 0.00 176.83 175.58 1u1d h HIS 240 N 1.22 -0.45 -0.72 3.45 -0.00 -0.88 -2.62 115.15 115.14 1u1d h HIS 240 Ca 0.31 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.61 1u1d h HIS 240 Cb -0.01 0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 1u1d h HIS 240 CO 0.01 -0.27 0.22 0.00 -0.00 0.00 0.00 177.93 177.89 1u1d h ALA 241 N 0.13 1.03 -0.74 5.26 0.00 -0.95 -2.74 119.26 121.26 1u1d h ALA 241 Ca -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1u1d h ALA 241 Cb 0.39 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1u1d h ALA 241 CO 0.08 0.65 0.38 0.28 0.00 0.00 0.00 179.25 180.64 1u1d h VAL 242 N 1.06 1.23 -0.63 0.00 2.07 -1.15 -1.51 116.25 117.32 1u1d h VAL 242 Ca 0.23 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1u1d h VAL 242 Cb 0.30 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1u1d h VAL 242 CO -0.01 0.26 0.22 0.11 0.02 0.00 0.00 177.57 178.17 1u1d h LYS 243 N 1.04 0.94 -0.23 1.57 1.57 -1.17 -2.65 116.57 117.63 1u1d h LYS 243 Ca 0.26 -0.17 -0.18 0.00 -1.87 0.00 0.00 60.65 58.69 1u1d h LYS 243 Cb 0.07 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1u1d h LYS 243 CO -0.04 0.79 -0.55 0.82 -0.57 0.00 0.00 179.45 179.90 1u1d h ILE 244 N 0.91 1.29 -0.08 1.86 2.04 -1.17 -2.61 117.51 119.76 1u1d h ILE 244 Ca 0.21 -1.75 -0.10 0.00 1.00 0.00 0.00 64.86 64.22 1u1d h ILE 244 Cb 0.23 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1u1d h ILE 244 CO -0.01 0.56 -0.41 1.62 0.00 0.00 0.00 178.15 179.91 1u1d h VAL 245 N 0.53 1.31 -0.16 1.67 3.04 -1.23 -0.23 116.25 121.17 1u1d h VAL 245 Ca -0.00 -1.49 -0.22 0.00 -1.01 0.00 0.00 66.70 63.98 1u1d h VAL 245 Cb 1.16 1.70 0.01 0.00 -2.01 0.00 0.00 31.29 32.16 1u1d h VAL 245 CO 0.12 0.44 -0.74 0.58 -1.01 0.00 0.00 177.57 176.96 1u1d h VAL 246 N 0.14 1.28 -0.19 1.51 2.07 -1.51 -2.16 116.25 117.39 1u1d h VAL 246 Ca 0.01 -1.94 -0.13 0.00 0.82 0.00 0.00 66.70 65.47 1u1d h VAL 246 Cb 0.79 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1u1d h VAL 246 CO 0.06 0.62 -0.42 -0.08 0.02 0.00 0.00 177.57 177.77 1u1d h GLU 247 N 0.53 0.46 -0.59 1.57 4.57 -1.28 -2.36 114.58 117.48 1u1d h GLU 247 Ca -0.05 -0.23 -0.10 0.00 -1.18 0.00 0.00 59.36 57.80 1u1d h GLU 247 Cb 1.37 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.95 1u1d h GLU 247 CO 0.16 0.79 -0.02 0.00 -1.18 0.00 0.00 179.01 178.76 1u1d h ALA 248 N 1.18 0.83 -0.13 2.92 0.00 -1.06 -2.93 119.26 120.07 1u1d h ALA 248 Ca 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1u1d h ALA 248 Cb 0.89 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1u1d h ALA 248 CO 0.08 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.97 1u1d h ALA 249 N 1.00 1.71 -0.82 0.00 0.00 -1.11 -1.23 119.26 118.80 1u1d h ALA 249 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1u1d h ALA 249 Cb 0.58 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1u1d h ALA 249 CO 0.03 0.22 0.43 0.00 0.00 0.00 0.00 179.25 179.93 1u1d h ARG 250 N 0.18 1.16 0.00 0.00 3.08 -1.24 -2.88 114.38 114.68 1u1d h ARG 250 Ca 0.04 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1u1d h ARG 250 Cb 0.18 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1u1d h ARG 250 CO 0.01 0.86 0.00 0.54 -1.07 0.00 0.00 179.97 180.31 1u1d n ARG 251 N -4.33 0.07 0.00 0.04 1.74 -0.49 -3.75 116.66 109.94 1u1d n ARG 251 Ca 0.08 0.10 0.06 0.00 -0.77 0.00 0.00 57.85 57.32 1u1d n ARG 251 Cb 0.11 -1.59 -0.01 0.00 -1.02 0.00 0.00 32.46 29.95 1u1d n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1u1d n LEU 252 N -1.71 1.15 0.00 0.55 4.77 -1.08 -5.05 117.00 115.64 1u1d n LEU 252 Ca 0.06 -0.71 0.11 0.00 -0.03 0.00 0.00 56.01 55.44 1u1d n LEU 252 Cb 0.34 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.08 1u1d n LEU 252 CO 0.26 0.23 0.84 0.18 -1.33 0.00 0.00 177.39 177.57