#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9i s SER 2 N 0.00 -0.17 0.93 1.61 0.01 -1.26 -5.16 113.70 109.65 2d9i s SER 2 Ca 0.00 0.26 -0.12 0.00 1.31 0.00 0.00 55.95 57.40 2d9i s SER 2 Cb 0.00 0.39 0.15 0.00 0.21 0.00 0.00 66.02 66.76 2d9i s SER 2 CO 0.00 -0.19 1.10 -0.44 0.41 0.00 0.00 173.24 174.12 2d9i s SER 3 N -0.40 3.28 0.00 2.44 0.01 -1.26 -4.95 113.70 112.82 2d9i s SER 3 Ca -0.05 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.43 2d9i s SER 3 Cb -0.03 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2d9i s SER 3 CO 0.01 -2.73 0.00 0.61 0.41 0.00 0.00 173.24 171.55 2d9i n GLY 4 N -1.49 -2.22 0.08 3.44 0.00 -1.26 -4.94 105.19 98.79 2d9i n GLY 4 Ca 0.06 0.71 -0.10 0.00 0.00 0.00 0.00 46.02 46.69 2d9i n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2d9i h SER 5 N 0.00 -0.04 0.49 1.61 0.87 -2.05 -3.38 113.55 111.04 2d9i h SER 5 Ca 0.00 -0.60 -0.02 0.00 -1.23 0.00 0.00 61.79 59.93 2d9i h SER 5 Cb 0.00 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2d9i h SER 5 CO 0.00 0.73 -0.23 0.28 -0.53 0.00 0.00 176.83 177.07 2d9i h SER 6 N -0.95 -0.55 -3.70 6.23 0.02 -1.98 -3.43 113.55 109.19 2d9i h SER 6 Ca -0.00 -0.08 -0.52 0.00 -0.84 0.00 0.00 61.79 60.35 2d9i h SER 6 Cb 0.64 0.14 0.05 0.00 0.14 0.00 0.00 62.40 63.37 2d9i h SER 6 CO 0.01 -0.19 0.61 -0.83 -1.14 0.00 0.00 176.83 175.29 2d9i s GLY 7 N -2.58 2.83 0.05 -3.77 0.00 -1.26 -5.03 107.32 97.57 2d9i s GLY 7 Ca -0.14 1.14 -0.12 0.00 0.00 0.00 0.00 44.72 45.60 2d9i s GLY 7 CO 0.50 1.89 0.27 1.20 0.00 0.00 0.00 173.10 176.95 2d9i s GLN 8 N -1.17 0.81 0.00 2.90 -0.21 -1.26 -4.20 119.66 116.53 2d9i s GLN 8 Ca 0.51 -0.61 0.02 0.00 0.02 0.00 0.00 55.36 55.29 2d9i s GLN 8 Cb -0.37 0.34 0.11 0.00 1.00 0.00 0.00 33.01 34.10 2d9i s GLN 8 CO 0.46 -0.26 1.03 0.09 -2.12 0.00 0.00 175.29 174.48 2d9i n ASN 9 N 0.45 0.00 -4.63 5.90 4.13 -1.26 -4.75 115.26 115.10 2d9i n ASN 9 Ca -0.18 -1.85 -0.35 0.00 1.68 0.00 0.00 54.58 53.89 2d9i n ASN 9 Cb 0.60 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.74 2d9i n ASN 9 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2d9i s VAL 10 N -2.00 4.44 -0.22 2.41 0.11 -1.26 -3.14 120.40 120.74 2d9i s VAL 10 Ca 0.03 -0.17 -0.03 0.00 -2.93 0.00 0.00 61.98 58.88 2d9i s VAL 10 Cb 0.01 -2.94 0.01 0.00 -1.53 0.00 0.00 36.38 31.93 2d9i s VAL 10 CO 0.02 0.52 -0.07 -0.22 -3.33 0.00 0.00 175.10 172.02 2d9i s LEU 11 N -0.11 2.85 -0.46 2.54 2.96 -0.34 -5.00 118.68 121.13 2d9i s LEU 11 Ca 0.05 -0.56 -0.22 0.00 -0.22 0.00 0.00 54.13 53.18 2d9i s LEU 11 Cb -0.12 -1.68 0.03 0.00 0.50 0.00 0.00 46.19 44.92 2d9i s LEU 11 CO 0.02 -0.05 0.71 -0.62 -1.32 0.00 0.00 176.35 175.09 2d9i s ASP 12 N 1.41 6.34 0.20 3.68 -1.08 -1.26 -1.49 116.67 124.47 2d9i s ASP 12 Ca 0.04 -0.32 0.23 0.00 -0.52 0.00 0.00 52.55 51.99 2d9i s ASP 12 Cb -0.15 -2.35 0.14 0.00 -1.46 0.00 0.00 42.92 39.10 2d9i s ASP 12 CO -0.05 -0.87 1.18 -0.07 0.52 0.00 0.00 175.17 175.88 2d9i h LEU 13 N 9.93 0.00 -9.52 -1.34 3.38 -0.53 -3.47 115.31 113.77 2d9i h LEU 13 Ca -0.25 -0.07 -0.53 0.00 0.09 0.00 0.00 57.88 57.12 2d9i h LEU 13 Cb 1.09 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.88 2d9i h LEU 13 CO 0.93 0.03 1.06 -2.28 0.09 0.00 0.00 178.44 178.28 2d9i s HIS 14 N -3.29 2.34 0.00 1.13 2.46 -0.88 -2.56 115.29 114.48 2d9i s HIS 14 Ca 0.02 0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.68 2d9i s HIS 14 Cb 0.10 -4.11 0.00 0.00 -0.13 0.00 0.00 32.58 28.44 2d9i s HIS 14 CO 0.76 -4.50 0.00 0.41 -2.47 0.00 0.00 174.74 168.94 2d9i n GLY 15 N 4.13 2.17 3.97 1.59 0.00 -1.26 -5.09 105.19 110.70 2d9i n GLY 15 Ca 0.17 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 2d9i n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d9i s LEU 16 N 0.00 2.88 0.04 0.99 1.43 -1.06 -5.07 118.68 117.89 2d9i s LEU 16 Ca 0.00 -0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 52.86 2d9i s LEU 16 Cb 0.00 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.96 2d9i s LEU 16 CO 0.00 -2.13 0.49 -2.28 0.23 0.00 0.00 176.35 172.66 2d9i s HIS 17 N -3.40 3.75 0.18 0.29 5.65 -1.26 -4.81 115.29 115.69 2d9i s HIS 17 Ca 0.68 1.12 -0.10 0.00 0.25 0.00 0.00 55.06 57.01 2d9i s HIS 17 Cb -0.05 -2.38 0.25 0.00 -1.18 0.00 0.00 32.58 29.21 2d9i s HIS 17 CO 0.47 0.60 1.13 0.28 -0.65 0.00 0.00 174.74 176.57 2d9i n VAL 18 N 1.68 -0.35 -0.21 0.89 0.31 -1.26 0.21 118.33 119.60 2d9i n VAL 18 Ca -0.12 1.68 -0.01 0.00 -0.01 0.00 0.00 64.34 65.88 2d9i n VAL 18 Cb 0.52 -2.27 0.10 0.00 -0.91 0.00 0.00 33.84 31.28 2d9i n VAL 18 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2d9i h ASP 19 N 0.00 0.41 0.49 4.52 1.82 -1.96 -0.98 116.42 120.72 2d9i h ASP 19 Ca 0.30 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.96 2d9i h ASP 19 Cb 0.48 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.47 2d9i h ASP 19 CO -0.73 0.26 -0.24 -0.33 -1.61 0.00 0.00 179.24 176.59 2d9i h GLU 20 N 0.56 -0.64 -0.80 0.28 3.07 0.20 -3.01 114.58 114.25 2d9i h GLU 20 Ca 0.30 0.04 0.16 0.00 -0.50 0.00 0.00 59.36 59.37 2d9i h GLU 20 Cb 0.27 0.14 -0.15 0.00 -0.84 0.00 0.00 28.75 28.17 2d9i h GLU 20 CO -0.23 -0.35 -0.17 0.00 -1.40 0.00 0.00 179.01 176.87 2d9i h ALA 21 N -0.88 0.58 0.12 3.43 0.00 -0.41 -1.24 119.26 120.87 2d9i h ALA 21 Ca -0.07 0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2d9i h ALA 21 Cb 0.58 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2d9i h ALA 21 CO 0.11 -0.41 -0.41 -0.07 0.00 0.00 0.00 179.25 178.47 2d9i h LEU 22 N 0.01 -1.23 -0.91 0.00 3.38 -1.22 0.21 115.31 115.56 2d9i h LEU 22 Ca 0.39 0.13 0.24 0.00 0.09 0.00 0.00 57.88 58.72 2d9i h LEU 22 Cb 0.62 0.45 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 2d9i h LEU 22 CO -0.80 -0.44 0.39 -0.33 0.09 0.00 0.00 178.44 177.35 2d9i h GLU 23 N -0.60 0.35 -0.38 1.13 5.08 -1.15 0.16 114.58 119.16 2d9i h GLU 23 Ca -0.01 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2d9i h GLU 23 Cb 0.60 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2d9i h GLU 23 CO -0.21 0.23 0.09 0.45 -1.00 0.00 0.00 179.01 178.58 2d9i h HIS 24 N 0.36 0.65 0.43 4.33 3.86 -0.35 -1.58 115.15 122.85 2d9i h HIS 24 Ca 0.58 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.70 2d9i h HIS 24 Cb 1.15 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.42 2d9i h HIS 24 CO -0.14 0.63 -0.39 1.25 0.86 0.00 0.00 177.93 180.14 2d9i h LEU 25 N 0.47 -1.07 -0.39 2.43 5.85 0.22 0.14 115.31 122.97 2d9i h LEU 25 Ca 0.12 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.00 2d9i h LEU 25 Cb 0.31 0.35 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 2d9i h LEU 25 CO 0.00 -0.53 -0.09 0.00 -0.34 0.00 0.00 178.44 177.47 2d9i h MET 26 N -0.81 0.00 0.08 1.25 -0.00 -1.35 0.30 114.93 114.39 2d9i h MET 26 Ca -0.06 -0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.67 2d9i h MET 26 Cb 0.70 -0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.25 2d9i h MET 26 CO -0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 176.91 176.55 2d9i h ARG 27 N 0.00 -0.51 0.00 -0.10 2.47 -1.10 -0.48 114.38 114.67 2d9i h ARG 27 Ca 0.19 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.93 2d9i h ARG 27 Cb 0.29 0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 2d9i h ARG 27 CO -0.40 -0.34 -0.08 -0.39 0.56 0.00 0.00 179.97 179.32 2d9i h VAL 28 N -0.53 0.51 -0.12 2.04 -1.51 -0.22 0.21 116.25 116.63 2d9i h VAL 28 Ca 0.04 -0.35 -0.13 0.00 -1.23 0.00 0.00 66.70 65.03 2d9i h VAL 28 Cb 0.58 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.96 2d9i h VAL 28 CO -0.22 0.07 -0.51 -0.07 -1.23 0.00 0.00 177.57 175.61 2d9i h LEU 29 N 0.00 0.37 0.01 4.19 3.38 0.11 0.76 115.31 124.14 2d9i h LEU 29 Ca -0.00 -0.18 -0.32 0.00 0.09 0.00 0.00 57.88 57.47 2d9i h LEU 29 Cb 0.22 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2d9i h LEU 29 CO 0.01 0.81 -1.91 -0.62 0.09 0.00 0.00 178.44 176.83 2d9i n GLU 30 N -3.96 0.66 0.03 1.13 1.02 -0.56 -3.85 120.64 115.11 2d9i n GLU 30 Ca -0.02 0.23 -0.03 0.00 -0.02 0.00 0.00 57.16 57.32 2d9i n GLU 30 Cb 0.56 -1.72 -0.01 0.00 -0.02 0.00 0.00 31.44 30.25 2d9i n GLU 30 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2d9i h LYS 31 N 0.01 -0.16 -0.28 3.49 1.63 -0.63 -3.31 116.57 117.31 2d9i h LYS 31 Ca -0.36 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.48 2d9i h LYS 31 Cb 2.06 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 33.67 2d9i h LYS 31 CO 0.06 -0.11 -0.43 0.87 -3.45 0.00 0.00 179.45 176.40 2d9i h LYS 32 N -1.02 -0.32 -1.84 1.90 1.79 -1.05 0.27 116.57 116.31 2d9i h LYS 32 Ca -0.02 0.02 0.54 0.00 -2.18 0.00 0.00 60.65 59.02 2d9i h LYS 32 Cb 0.13 0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 30.77 2d9i h LYS 32 CO 0.03 -0.21 1.31 -2.37 -1.08 0.00 0.00 179.45 177.13 2d9i n THR 33 N -4.76 -0.03 -0.04 -0.16 5.66 -1.25 -0.91 114.28 112.80 2d9i n THR 33 Ca -0.03 1.46 -0.09 0.00 -3.05 0.00 0.00 64.05 62.34 2d9i n THR 33 Cb 0.27 -2.43 -0.06 0.00 -1.55 0.00 0.00 70.33 66.56 2d9i n THR 33 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2d9i h GLU 34 N 0.00 -0.29 -0.48 1.09 4.81 -0.55 -2.18 114.58 116.98 2d9i h GLU 34 Ca 0.90 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 60.14 2d9i h GLU 34 Cb 3.53 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 32.95 2d9i h GLU 34 CO -0.06 -0.19 0.27 0.93 -0.73 0.00 0.00 179.01 179.23 2d9i h GLU 35 N -0.30 0.67 -1.18 1.92 4.39 -1.15 -2.24 114.58 116.70 2d9i h GLU 35 Ca 0.03 -0.07 0.34 0.00 0.34 0.00 0.00 59.36 60.00 2d9i h GLU 35 Cb 0.39 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 2d9i h GLU 35 CO -0.31 0.51 1.14 0.35 -1.16 0.00 0.00 179.01 179.54 2d9i h PHE 36 N 0.64 0.00 0.30 4.33 3.57 -1.28 1.16 116.94 125.67 2d9i h PHE 36 Ca 0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2d9i h PHE 36 Cb 0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.78 2d9i h PHE 36 CO -0.02 0.00 -0.15 0.87 -2.23 0.00 0.00 178.31 176.78 2d9i h LYS 37 N 0.00 -0.39 0.00 1.11 1.57 -0.92 -3.09 116.57 114.84 2d9i h LYS 37 Ca 0.56 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 59.31 2d9i h LYS 37 Cb 2.83 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 35.22 2d9i h LYS 37 CO -0.01 -0.09 -0.55 1.96 -0.57 0.00 0.00 179.45 180.19 2d9i h GLN 38 N -0.99 0.00 -1.12 3.15 7.50 -0.61 -3.36 115.11 119.68 2d9i h GLN 38 Ca -0.04 0.00 0.35 0.00 0.50 0.00 0.00 58.65 59.46 2d9i h GLN 38 Cb 0.48 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 27.88 2d9i h GLN 38 CO 0.07 0.33 0.69 -0.91 -1.50 0.00 0.00 178.83 177.51 2d9i h ASN 39 N -1.00 0.40 -0.48 1.46 4.21 0.95 -3.45 115.58 117.68 2d9i h ASN 39 Ca -0.09 0.15 -0.10 0.00 1.21 0.00 0.00 56.30 57.47 2d9i h ASN 39 Cb 0.65 0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.93 2d9i h ASN 39 CO -0.05 -0.10 -0.11 0.61 -1.29 0.00 0.00 177.43 176.49 2d9i n GLY 40 N -1.41 0.46 0.00 2.83 0.00 -1.17 -4.99 105.19 100.90 2d9i n GLY 40 Ca 0.32 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2d9i n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d9i n GLY 41 N -1.67 -2.40 3.74 -0.02 0.00 -1.26 -4.92 105.19 98.66 2d9i n GLY 41 Ca -0.05 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 2d9i n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d9i s LYS 42 N -0.92 4.22 0.00 1.61 1.02 -1.26 -4.87 119.74 119.53 2d9i s LYS 42 Ca 0.00 2.40 0.15 0.00 0.02 0.00 0.00 55.97 58.54 2d9i s LYS 42 Cb 0.00 -3.08 0.80 0.00 -0.52 0.00 0.00 37.83 35.02 2d9i s LYS 42 CO 0.00 -0.50 1.39 -0.35 -0.92 0.00 0.00 175.35 174.97 2d9i n PRO 43 N 2.39 0.28 -4.48 -1.68 -0.04 -1.26 -4.73 135.00 125.48 2d9i n PRO 43 Ca 0.08 0.11 -0.25 0.00 -0.04 0.00 0.00 63.50 63.40 2d9i n PRO 43 Cb 0.39 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 2d9i n PRO 43 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2d9i s TYR 44 N -2.42 2.35 -0.06 0.54 -0.85 -1.26 0.09 117.35 115.74 2d9i s TYR 44 Ca 0.17 -0.39 0.02 0.00 -0.52 0.00 0.00 57.07 56.35 2d9i s TYR 44 Cb 0.10 -1.15 0.02 0.00 0.38 0.00 0.00 41.96 41.30 2d9i s TYR 44 CO 0.21 0.66 -0.10 -1.17 -1.52 0.00 0.00 175.55 173.63 2d9i s LEU 45 N -3.56 1.55 0.19 -3.49 2.96 0.28 -4.83 118.68 111.79 2d9i s LEU 45 Ca 0.31 -0.26 -0.30 0.00 -0.22 0.00 0.00 54.13 53.66 2d9i s LEU 45 Cb -0.02 -0.74 -0.08 0.00 0.50 0.00 0.00 46.19 45.85 2d9i s LEU 45 CO 0.16 0.01 0.99 -0.55 -1.32 0.00 0.00 176.35 175.63 2d9i s SER 46 N 0.77 7.50 -0.12 3.68 0.15 -1.19 -1.76 113.70 122.73 2d9i s SER 46 Ca -0.13 1.96 -0.04 0.00 0.70 0.00 0.00 55.95 58.44 2d9i s SER 46 Cb -0.15 -2.60 0.05 0.00 -1.71 0.00 0.00 66.02 61.60 2d9i s SER 46 CO 0.02 -0.00 0.08 -0.69 1.20 0.00 0.00 173.24 173.85 2d9i s VAL 47 N -0.66 -0.11 -0.44 4.45 1.01 -0.56 -1.19 120.40 122.91 2d9i s VAL 47 Ca 0.45 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 2d9i s VAL 47 Cb -0.26 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 35.73 2d9i s VAL 47 CO 0.33 -0.11 0.42 -0.63 0.00 0.00 0.00 175.10 175.11 2d9i s ILE 48 N 2.16 5.13 -0.14 2.22 1.09 -0.56 -0.07 121.20 131.03 2d9i s ILE 48 Ca 0.03 -0.57 0.11 0.00 -1.10 0.00 0.00 60.65 59.13 2d9i s ILE 48 Cb -0.14 -4.06 -0.16 0.00 -1.06 0.00 0.00 42.46 37.03 2d9i s ILE 48 CO -0.07 -0.47 0.03 0.35 -0.10 0.00 0.00 174.94 174.68 2d9i n THR 49 N 5.35 0.95 -1.07 2.92 -2.24 -1.26 0.28 114.28 119.22 2d9i n THR 49 Ca -0.09 -0.57 -0.41 0.00 -2.27 0.00 0.00 64.05 60.72 2d9i n THR 49 Cb 0.46 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 2d9i n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2d9i n GLY 50 N 2.20 -0.53 0.12 3.38 0.00 -1.26 -4.41 105.19 104.70 2d9i n GLY 50 Ca -0.23 0.46 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 2d9i n GLY 50 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2d9i h ARG 51 N 1.76 0.24 0.00 1.61 2.47 -1.94 -3.42 114.38 115.10 2d9i h ARG 51 Ca -0.32 -0.40 0.00 0.00 -1.26 0.00 0.00 59.98 58.00 2d9i h ARG 51 Cb 1.05 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 2d9i h ARG 51 CO 0.46 1.19 0.00 0.41 0.56 0.00 0.00 179.97 182.59 2d9i n GLY 52 N 1.73 -0.98 3.44 0.04 0.00 -1.26 -4.73 105.19 103.42 2d9i n GLY 52 Ca -0.24 -1.37 -0.44 0.00 0.00 0.00 0.00 46.02 43.97 2d9i n GLY 52 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2d9i s ASN 53 N -4.00 6.15 -0.13 1.61 2.47 -1.26 -3.55 114.94 116.23 2d9i s ASN 53 Ca 0.00 -1.02 -0.04 0.00 0.42 0.00 0.00 52.86 52.22 2d9i s ASN 53 Cb 0.00 -2.19 0.06 0.00 -1.45 0.00 0.00 41.25 37.67 2d9i s ASN 53 CO 0.00 -0.58 0.12 -2.28 -3.72 0.00 0.00 177.10 170.64 2d9i s HIS 54 N 1.82 0.02 -1.30 0.43 2.46 -1.26 -4.87 115.29 112.58 2d9i s HIS 54 Ca 0.07 0.08 -0.05 0.00 0.47 0.00 0.00 55.06 55.63 2d9i s HIS 54 Cb -0.21 -0.51 0.01 0.00 -0.13 0.00 0.00 32.58 31.74 2d9i s HIS 54 CO 0.09 -0.40 1.04 0.43 -2.47 0.00 0.00 174.74 173.43 2d9i n SER 55 N 5.30 -3.84 -3.47 9.88 7.64 -1.26 -2.13 113.62 125.74 2d9i n SER 55 Ca -0.05 -0.62 -0.22 0.00 1.01 0.00 0.00 58.87 58.98 2d9i n SER 55 Cb 0.49 -4.88 0.08 0.00 -1.01 0.00 0.00 64.21 58.89 2d9i n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d9i n GLN 56 N -4.53 -7.58 0.00 1.43 1.13 -1.26 -5.00 117.38 101.56 2d9i n GLN 56 Ca -0.15 0.80 0.00 0.00 -1.94 0.00 0.00 57.00 55.71 2d9i n GLN 56 Cb 0.62 -5.75 0.00 0.00 0.11 0.00 0.00 30.24 25.21 2d9i n GLN 56 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2d9i n GLY 57 N -1.89 0.82 0.00 1.08 0.00 -0.91 -5.00 105.19 99.28 2d9i n GLY 57 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2d9i n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d9i n GLY 58 N 5.00 3.07 3.77 -0.02 0.00 -1.23 -4.89 105.19 110.89 2d9i n GLY 58 Ca 0.00 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 2d9i n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d9i s VAL 59 N -0.11 4.57 0.07 1.61 1.01 -1.26 -4.82 120.40 121.48 2d9i s VAL 59 Ca 0.00 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.47 2d9i s VAL 59 Cb 0.00 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 2d9i s VAL 59 CO 0.00 0.24 -0.26 0.00 0.00 0.00 0.00 175.10 175.08 2d9i s ALA 60 N -1.28 2.32 -1.04 5.51 0.00 -1.26 -4.91 121.76 121.09 2d9i s ALA 60 Ca 0.26 -1.32 0.10 0.00 0.00 0.00 0.00 51.96 50.99 2d9i s ALA 60 Cb -0.12 -0.47 0.16 0.00 0.00 0.00 0.00 23.12 22.69 2d9i s ALA 60 CO 0.18 0.54 0.99 -2.13 0.00 0.00 0.00 175.76 175.34 2d9i n ARG 61 N 1.51 1.49 -0.07 0.00 0.63 -1.26 -4.64 116.66 114.32 2d9i n ARG 61 Ca -0.17 -1.49 -0.10 0.00 -0.92 0.00 0.00 57.85 55.17 2d9i n ARG 61 Cb 0.52 -1.21 -0.07 0.00 0.45 0.00 0.00 32.46 32.15 2d9i n ARG 61 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2d9i h ILE 62 N 1.86 0.77 -0.87 5.15 2.04 -1.95 -3.35 117.51 121.16 2d9i h ILE 62 Ca 0.00 -1.69 0.19 0.00 1.00 0.00 0.00 64.86 64.36 2d9i h ILE 62 Cb 0.54 1.56 -0.16 0.00 -0.74 0.00 0.00 36.82 38.02 2d9i h ILE 62 CO 0.00 0.26 -0.12 0.50 0.00 0.00 0.00 178.15 178.79 2d9i h LYS 63 N -1.00 0.02 -0.36 2.37 3.64 -1.85 -0.55 116.57 118.84 2d9i h LYS 63 Ca -0.08 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2d9i h LYS 63 Cb 0.70 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.43 2d9i h LYS 63 CO -0.05 0.02 -0.39 -1.35 -2.27 0.00 0.00 179.45 175.41 2d9i h PRO 64 N 0.02 -0.31 0.40 1.90 0.11 -1.84 0.54 132.00 132.82 2d9i h PRO 64 Ca 0.45 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.57 2d9i h PRO 64 Cb 0.77 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2d9i h PRO 64 CO -0.85 -0.21 -0.20 0.00 -0.21 0.00 0.00 178.00 176.53 2d9i h ALA 65 N 0.50 -0.55 -0.52 -0.75 0.00 -1.27 -1.91 119.26 114.76 2d9i h ALA 65 Ca 0.14 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2d9i h ALA 65 Cb 0.57 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 2d9i h ALA 65 CO -0.53 -0.81 -0.24 0.28 0.00 0.00 0.00 179.25 177.95 2d9i h VAL 66 N -0.55 0.31 -0.80 0.00 2.07 -0.88 0.28 116.25 116.69 2d9i h VAL 66 Ca -0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.53 2d9i h VAL 66 Cb 0.43 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 2d9i h VAL 66 CO 0.08 0.00 0.48 0.40 0.02 0.00 0.00 177.57 178.55 2d9i h ILE 67 N -0.11 1.01 -0.50 4.57 2.04 -0.78 0.20 117.51 123.94 2d9i h ILE 67 Ca 0.24 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 2d9i h ILE 67 Cb 0.49 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2d9i h ILE 67 CO -0.59 0.16 0.09 0.50 0.00 0.00 0.00 178.15 178.30 2d9i h LYS 68 N 0.87 0.82 -0.14 2.37 3.64 -0.14 -2.11 116.57 121.88 2d9i h LYS 68 Ca 0.35 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2d9i h LYS 68 Cb 0.19 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2d9i h LYS 68 CO -0.18 0.81 -0.00 -0.92 -2.27 0.00 0.00 179.45 176.89 2d9i h TYR 69 N 0.70 0.27 0.35 1.91 5.03 0.13 -2.80 116.97 122.55 2d9i h TYR 69 Ca 0.15 -0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 2d9i h TYR 69 Cb 0.39 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.57 2d9i h TYR 69 CO 0.03 0.49 -0.46 -0.07 -1.32 0.00 0.00 178.16 176.82 2d9i h LEU 70 N -0.02 -1.31 -1.47 2.82 3.38 -0.58 -1.55 115.31 116.58 2d9i h LEU 70 Ca 0.04 0.12 0.28 0.00 0.09 0.00 0.00 57.88 58.41 2d9i h LEU 70 Cb 0.38 0.45 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 2d9i h LEU 70 CO 0.01 -0.59 0.69 0.40 0.09 0.00 0.00 178.44 179.04 2d9i h ILE 71 N -0.86 0.50 -0.20 1.22 2.04 -1.43 -0.30 117.51 118.48 2d9i h ILE 71 Ca -0.03 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.78 2d9i h ILE 71 Cb 0.79 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 2d9i h ILE 71 CO -0.13 0.06 -0.22 -1.28 0.00 0.00 0.00 178.15 176.58 2d9i h SER 72 N 0.32 -0.70 -0.26 1.72 0.87 -1.00 0.38 113.55 114.88 2d9i h SER 72 Ca 0.59 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.28 2d9i h SER 72 Cb 1.63 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.92 2d9i h SER 72 CO -0.25 -0.26 0.00 1.41 -0.53 0.00 0.00 176.83 177.20 2d9i n HIS 73 N -5.36 0.35 -2.85 2.24 8.25 -0.25 -4.89 115.22 112.70 2d9i n HIS 73 Ca -0.01 -0.17 -0.20 0.00 -0.26 0.00 0.00 57.72 57.07 2d9i n HIS 73 Cb 0.27 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.41 2d9i n HIS 73 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2d9i n SER 74 N 0.35 -5.67 -4.60 0.41 2.88 0.12 -4.91 113.62 102.20 2d9i n SER 74 Ca 0.12 -0.22 -0.43 0.00 -1.33 0.00 0.00 58.87 57.01 2d9i n SER 74 Cb 0.28 -4.53 -0.02 0.00 -0.75 0.00 0.00 64.21 59.18 2d9i n SER 74 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2d9i s PHE 75 N -3.09 2.19 0.06 0.66 0.08 -0.45 -4.96 117.98 112.47 2d9i s PHE 75 Ca 0.23 0.65 -0.31 0.00 0.12 0.00 0.00 56.93 57.63 2d9i s PHE 75 Cb -0.10 -4.20 -0.07 0.00 -0.57 0.00 0.00 43.02 38.07 2d9i s PHE 75 CO 0.29 -2.38 1.52 0.50 -0.10 0.00 0.00 175.22 175.04 2d9i s ARG 76 N 5.11 4.25 0.03 0.44 3.52 -1.26 -4.59 118.95 126.45 2d9i s ARG 76 Ca 0.68 2.17 -0.04 0.00 -0.13 0.00 0.00 55.73 58.41 2d9i s ARG 76 Cb -0.18 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 2d9i s ARG 76 CO 0.32 -0.62 0.06 -0.59 -0.81 0.00 0.00 175.30 173.66 2d9i s PHE 77 N 2.17 0.21 -0.01 5.12 -0.71 -1.26 -1.62 117.98 121.88 2d9i s PHE 77 Ca 0.69 -0.47 0.01 0.00 -1.04 0.00 0.00 56.93 56.11 2d9i s PHE 77 Cb -0.37 -0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.29 2d9i s PHE 77 CO 0.30 -0.30 -0.03 -1.12 -1.34 0.00 0.00 175.22 172.72 2d9i s SER 78 N -1.84 0.48 -0.62 1.98 0.01 -0.64 -4.99 113.70 108.08 2d9i s SER 78 Ca -0.09 -0.07 -0.26 0.00 1.31 0.00 0.00 55.95 56.84 2d9i s SER 78 Cb -0.04 -0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.12 2d9i s SER 78 CO -0.03 0.02 1.13 -0.70 0.41 0.00 0.00 173.24 174.08 2d9i s GLU 79 N 0.14 3.36 -0.02 12.44 -6.30 -1.26 -2.78 118.70 124.28 2d9i s GLU 79 Ca -0.01 -0.08 0.19 0.00 -2.50 0.00 0.00 54.97 52.57 2d9i s GLU 79 Cb -0.04 -4.08 -0.22 0.00 0.00 0.00 0.00 34.13 29.79 2d9i s GLU 79 CO -0.00 -1.76 0.54 0.44 0.02 0.00 0.00 175.26 174.50 2d9i n ILE 80 N 6.43 0.81 -4.05 -3.70 -5.35 -1.26 -4.97 119.36 107.27 2d9i n ILE 80 Ca 0.05 -0.66 -0.10 0.00 -0.27 0.00 0.00 62.75 61.76 2d9i n ILE 80 Cb 0.48 -0.40 -0.11 0.00 -1.74 0.00 0.00 39.64 37.88 2d9i n ILE 80 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2d9i s LYS 81 N -3.04 0.50 0.00 6.28 -0.14 -1.26 -5.02 119.74 117.06 2d9i s LYS 81 Ca -0.06 -0.85 0.10 0.00 -1.36 0.00 0.00 55.97 53.80 2d9i s LYS 81 Cb 0.10 -0.06 0.62 0.00 -1.68 0.00 0.00 37.83 36.80 2d9i s LYS 81 CO 0.85 -0.02 1.06 -0.35 -0.76 0.00 0.00 175.35 176.12 2d9i n PRO 82 N 1.11 0.49 -1.11 -1.68 -0.04 -1.26 -2.71 135.00 129.80 2d9i n PRO 82 Ca -0.20 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2d9i n PRO 82 Cb 0.57 -1.33 -0.01 0.00 -0.04 0.00 0.00 33.50 32.68 2d9i n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d9i n GLY 83 N -0.02 0.78 3.26 0.55 0.00 -1.26 -4.92 105.19 103.59 2d9i n GLY 83 Ca 0.08 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 2d9i n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d9i s LEU 85 N -2.85 0.34 -0.30 0.00 1.43 0.90 -4.29 118.68 113.91 2d9i s LEU 85 Ca 0.05 -0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 52.75 2d9i s LEU 85 Cb 0.03 -0.25 -0.01 0.00 0.03 0.00 0.00 46.19 46.00 2d9i s LEU 85 CO -0.11 -0.27 0.65 -0.75 0.23 0.00 0.00 176.35 176.11 2d9i s LYS 86 N 2.11 3.93 -0.23 1.70 2.20 -1.12 -1.50 119.74 126.84 2d9i s LYS 86 Ca 0.04 0.37 -0.00 0.00 -0.36 0.00 0.00 55.97 56.02 2d9i s LYS 86 Cb -0.13 -3.72 0.03 0.00 -1.51 0.00 0.00 37.83 32.50 2d9i s LYS 86 CO -0.05 -0.57 -0.10 0.08 -0.36 0.00 0.00 175.35 174.35 2d9i s VAL 87 N 2.64 2.54 -0.01 4.02 1.01 -0.72 -1.62 120.40 128.27 2d9i s VAL 87 Ca 0.26 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 2d9i s VAL 87 Cb -0.15 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 2d9i s VAL 87 CO 0.11 0.24 1.48 -0.04 0.00 0.00 0.00 175.10 176.90 2d9i s MET 88 N 1.27 4.25 0.66 2.72 1.00 -0.64 -0.56 119.30 128.01 2d9i s MET 88 Ca -0.00 2.05 -0.11 0.00 0.00 0.00 0.00 55.69 57.63 2d9i s MET 88 Cb -0.16 -3.66 -0.01 0.00 0.00 0.00 0.00 34.83 30.99 2d9i s MET 88 CO -0.07 -0.66 1.05 -0.51 0.00 0.00 0.00 175.02 174.84 2d9i s LEU 89 N 2.79 3.11 0.07 -0.03 1.43 0.11 -4.62 118.68 121.55 2d9i s LEU 89 Ca 0.67 1.41 -0.10 0.00 -1.03 0.00 0.00 54.13 55.08 2d9i s LEU 89 Cb -0.33 -4.35 -0.06 0.00 0.03 0.00 0.00 46.19 41.49 2d9i s LEU 89 CO 0.27 -1.16 0.40 -0.54 0.23 0.00 0.00 176.35 175.55 2d9i s LYS 90 N -5.18 3.76 -0.22 1.70 1.02 -1.26 -4.89 119.74 114.67 2d9i s LYS 90 Ca 0.57 0.18 0.11 0.00 0.02 0.00 0.00 55.97 56.84 2d9i s LYS 90 Cb -0.12 -3.01 -0.21 0.00 -0.52 0.00 0.00 37.83 33.97 2d9i s LYS 90 CO 0.54 0.57 -0.06 -1.13 -0.92 0.00 0.00 175.35 174.34 2d9i n SER 91 N 0.96 0.97 0.00 2.83 3.41 -1.26 -4.91 113.62 115.62 2d9i n SER 91 Ca -0.08 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2d9i n SER 91 Cb 0.52 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 2d9i n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d9i n GLY 92 N 2.00 -0.51 3.77 5.00 0.00 -1.26 -4.96 105.19 109.24 2d9i n GLY 92 Ca -0.38 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 2d9i n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9i s PRO 93 N -1.73 2.97 -0.09 1.61 0.04 -1.26 -5.05 135.00 131.50 2d9i s PRO 93 Ca 0.00 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2d9i s PRO 93 Cb 0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2d9i s PRO 93 CO 0.00 -1.12 -0.08 -1.54 0.04 0.00 0.00 177.00 174.29 2d9i s SER 94 N -2.33 4.48 -0.09 6.66 1.04 -1.26 -5.03 113.70 117.17 2d9i s SER 94 Ca 0.69 -0.11 -0.23 0.00 0.48 0.00 0.00 55.95 56.78 2d9i s SER 94 Cb -0.22 -1.28 -0.28 0.00 0.10 0.00 0.00 66.02 64.34 2d9i s SER 94 CO 0.37 0.30 0.75 -1.28 0.98 0.00 0.00 173.24 174.36 2d9i h SER 95 N 5.72 0.30 -0.02 7.02 0.87 -2.08 -3.57 113.55 121.78 2d9i h SER 95 Ca -0.42 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.22 2d9i h SER 95 Cb 1.18 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2d9i h SER 95 CO 0.54 1.34 0.00 0.61 -0.53 0.00 0.00 176.83 178.79