#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9p s PRO 2 N 0.00 4.26 0.07 -0.41 0.04 -1.26 -4.94 135.00 132.76 2c9p s PRO 2 Ca 0.00 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.34 2c9p s PRO 2 Cb 0.00 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 2c9p s PRO 2 CO 0.00 -0.02 -0.06 -1.59 0.04 0.00 0.00 177.00 175.38 2c9p s LYS 3 N -2.74 0.66 0.00 4.56 -2.85 -1.26 -4.93 119.74 113.18 2c9p s LYS 3 Ca 0.59 -1.10 -0.30 0.00 -1.00 0.00 0.00 55.97 54.15 2c9p s LYS 3 Cb -0.15 -0.11 -0.06 0.00 -2.06 0.00 0.00 37.83 35.45 2c9p s LYS 3 CO 0.20 -0.02 1.42 -1.17 0.10 0.00 0.00 175.35 175.88 2c9p s LEU 4 N -2.51 4.32 -0.24 2.77 2.96 -1.26 -1.41 118.68 123.31 2c9p s LEU 4 Ca 0.03 2.13 0.03 0.00 -0.22 0.00 0.00 54.13 56.10 2c9p s LEU 4 Cb 0.01 -3.56 -0.18 0.00 0.50 0.00 0.00 46.19 42.95 2c9p s LEU 4 CO -0.04 -0.74 -0.16 0.52 -1.32 0.00 0.00 176.35 174.61 2c9p n VAL 5 N 4.70 1.51 -3.65 1.68 0.31 0.28 -4.93 118.33 118.22 2c9p n VAL 5 Ca 0.13 -0.60 -0.09 0.00 -0.01 0.00 0.00 64.34 63.77 2c9p n VAL 5 Cb 0.43 -1.37 -0.02 0.00 -0.91 0.00 0.00 33.84 31.97 2c9p n VAL 5 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2c9p s SER 6 N -6.48 -0.39 0.05 4.52 1.04 -1.09 -5.03 113.70 106.31 2c9p s SER 6 Ca -0.32 -0.32 -0.16 0.00 0.48 0.00 0.00 55.95 55.63 2c9p s SER 6 Cb 0.09 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.89 2c9p s SER 6 CO 0.63 -1.14 0.37 -0.94 0.98 0.00 0.00 173.24 173.14 2c9p s SER 7 N -2.83 -0.22 -0.18 7.02 1.04 -1.26 -0.71 113.70 116.55 2c9p s SER 7 Ca 0.07 -0.09 -0.00 0.00 0.48 0.00 0.00 55.95 56.40 2c9p s SER 7 Cb -0.03 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.53 2c9p s SER 7 CO -0.02 -0.65 -0.04 0.42 0.98 0.00 0.00 173.24 173.92 2c9p s THR 8 N -2.56 1.14 0.89 2.02 -4.23 -0.32 -2.53 115.64 110.05 2c9p s THR 8 Ca -0.05 -0.76 -0.10 0.00 -1.18 0.00 0.00 61.69 59.60 2c9p s THR 8 Cb -0.01 -1.38 0.13 0.00 1.34 0.00 0.00 72.50 72.59 2c9p s THR 8 CO -0.03 0.04 1.12 -2.84 -0.54 0.00 0.00 174.62 172.37 2c9p s PRO 9 N 1.60 1.24 0.41 3.99 0.02 -1.26 -1.52 135.00 139.49 2c9p s PRO 9 Ca -0.01 1.36 -0.08 0.00 0.02 0.00 0.00 61.00 62.30 2c9p s PRO 9 Cb -0.16 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 2c9p s PRO 9 CO -0.07 -2.41 0.74 0.00 -0.33 0.00 0.00 177.00 174.92 2c9p s ALA 10 N -2.72 3.41 -0.10 -1.55 0.00 -1.05 -4.94 121.76 114.81 2c9p s ALA 10 Ca 0.65 -0.37 -0.37 0.00 0.00 0.00 0.00 51.96 51.87 2c9p s ALA 10 Cb -0.21 -2.60 -0.14 0.00 0.00 0.00 0.00 23.12 20.17 2c9p s ALA 10 CO 0.58 -0.10 1.70 -1.91 0.00 0.00 0.00 175.76 176.03 2c9p n GLU 11 N -1.60 1.62 -1.00 0.00 4.07 -1.26 -1.44 120.64 121.02 2c9p n GLU 11 Ca 0.01 0.59 -0.00 0.00 -0.06 0.00 0.00 57.16 57.70 2c9p n GLU 11 Cb 0.54 -2.33 -0.00 0.00 -0.06 0.00 0.00 31.44 29.59 2c9p n GLU 11 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2c9p n GLY 12 N 3.87 0.46 3.86 8.31 0.00 0.34 -5.01 105.19 117.01 2c9p n GLY 12 Ca 0.23 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2c9p n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c9p s SER 13 N -2.05 5.84 -0.18 1.61 1.04 -0.52 -4.91 113.70 114.54 2c9p s SER 13 Ca 0.00 1.39 -0.04 0.00 0.48 0.00 0.00 55.95 57.78 2c9p s SER 13 Cb 0.00 -2.35 0.09 0.00 0.10 0.00 0.00 66.02 63.86 2c9p s SER 13 CO 0.00 -1.12 0.25 -0.70 0.98 0.00 0.00 173.24 172.66 2c9p s GLU 14 N -5.19 0.19 0.00 4.02 2.12 -1.26 -1.47 118.70 117.11 2c9p s GLU 14 Ca 0.56 0.44 0.00 0.00 0.36 0.00 0.00 54.97 56.33 2c9p s GLU 14 Cb -0.12 -0.70 0.00 0.00 0.26 0.00 0.00 34.13 33.57 2c9p s GLU 14 CO 0.54 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 2c9p n GLY 15 N 5.34 2.17 3.78 -1.50 0.00 -1.11 -4.97 105.19 108.89 2c9p n GLY 15 Ca -0.05 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 2c9p n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c9p s ALA 16 N -1.00 2.36 0.20 4.61 0.00 -1.26 -1.32 121.76 125.36 2c9p s ALA 16 Ca 0.00 0.23 -0.31 0.00 0.00 0.00 0.00 51.96 51.89 2c9p s ALA 16 Cb 0.00 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 2c9p s ALA 16 CO 0.00 -1.62 1.52 0.00 0.00 0.00 0.00 175.76 175.66 2c9p s ALA 17 N -2.92 3.72 0.20 0.00 0.00 -1.26 -4.84 121.76 116.66 2c9p s ALA 17 Ca 0.61 1.37 -0.27 0.00 0.00 0.00 0.00 51.96 53.67 2c9p s ALA 17 Cb -0.16 -3.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.27 2c9p s ALA 17 CO 0.55 -0.78 0.83 -1.25 0.00 0.00 0.00 175.76 175.12 2c9p s PRO 18 N 0.48 4.66 0.24 0.00 0.04 -1.26 -4.96 135.00 134.20 2c9p s PRO 18 Ca 0.66 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 2c9p s PRO 18 Cb -0.43 -3.25 0.27 0.00 0.04 0.00 0.00 34.50 31.13 2c9p s PRO 18 CO 0.37 0.55 1.76 0.00 0.04 0.00 0.00 177.00 179.71 2c9p h ALA 19 N 4.22 1.07 -2.73 8.56 0.00 -1.97 -3.44 119.26 124.97 2c9p h ALA 19 Ca -0.46 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.06 2c9p h ALA 19 Cb 1.20 -0.23 -0.20 0.00 0.00 0.00 0.00 17.79 18.57 2c9p h ALA 19 CO 0.67 0.60 -0.50 -1.59 0.00 0.00 0.00 179.25 178.42 2c9p s LYS 20 N -5.15 0.50 -0.14 0.00 -2.85 -1.26 -4.30 119.74 106.54 2c9p s LYS 20 Ca -0.10 -0.49 -0.04 0.00 -1.00 0.00 0.00 55.97 54.34 2c9p s LYS 20 Cb 0.15 0.21 -0.03 0.00 -2.06 0.00 0.00 37.83 36.09 2c9p s LYS 20 CO 0.82 -0.12 -0.01 0.42 0.10 0.00 0.00 175.35 176.56 2c9p s ILE 21 N -1.67 4.18 -0.08 3.79 1.01 0.15 -4.76 121.20 123.82 2c9p s ILE 21 Ca -0.13 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.30 2c9p s ILE 21 Cb -0.06 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.58 2c9p s ILE 21 CO 0.00 0.52 -0.21 -1.61 0.00 0.00 0.00 174.94 173.63 2c9p s GLU 22 N 0.02 2.62 -0.12 2.79 2.02 -0.58 -0.07 118.70 125.38 2c9p s GLU 22 Ca 0.02 -0.78 -0.00 0.00 0.02 0.00 0.00 54.97 54.23 2c9p s GLU 22 Cb -0.13 -2.05 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 2c9p s GLU 22 CO 0.02 0.19 -0.11 -0.51 0.02 0.00 0.00 175.26 174.87 2c9p s LEU 23 N 0.29 2.84 -0.15 1.80 1.43 0.12 -1.18 118.68 123.83 2c9p s LEU 23 Ca -0.14 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2c9p s LEU 23 Cb -0.16 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 2c9p s LEU 23 CO 0.07 0.20 -0.13 -1.00 0.23 0.00 0.00 176.35 175.71 2c9p s HIS 24 N 0.18 2.82 0.31 0.29 3.76 0.12 -0.87 115.29 121.89 2c9p s HIS 24 Ca -0.06 -0.82 0.09 0.00 -0.15 0.00 0.00 55.06 54.12 2c9p s HIS 24 Cb -0.15 -1.89 -0.05 0.00 1.11 0.00 0.00 32.58 31.61 2c9p s HIS 24 CO 0.04 -0.34 0.04 -0.06 -0.85 0.00 0.00 174.74 173.58 2c9p s PHE 25 N 0.63 2.66 -1.05 1.40 0.08 0.82 -0.56 117.98 121.97 2c9p s PHE 25 Ca -0.07 -0.32 0.27 0.00 0.12 0.00 0.00 56.93 56.92 2c9p s PHE 25 Cb -0.16 -1.40 1.18 0.00 -0.57 0.00 0.00 43.02 42.07 2c9p s PHE 25 CO 0.03 0.50 1.87 -1.13 -0.10 0.00 0.00 175.22 176.39 2c9p n SER 26 N -0.99 0.00 -3.93 1.36 3.41 -0.50 -4.82 113.62 108.15 2c9p n SER 26 Ca -0.05 0.43 -0.09 0.00 -0.26 0.00 0.00 58.87 58.90 2c9p n SER 26 Cb 0.60 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.99 2c9p n SER 26 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2c9p s GLU 27 N -2.95 0.66 0.20 4.33 2.12 -1.26 -4.95 118.70 116.84 2c9p s GLU 27 Ca 0.15 -0.87 -0.32 0.00 0.36 0.00 0.00 54.97 54.28 2c9p s GLU 27 Cb 0.18 0.26 -0.11 0.00 0.26 0.00 0.00 34.13 34.71 2c9p s GLU 27 CO 0.48 -0.17 1.68 -0.80 -0.54 0.00 0.00 175.26 175.91 2c9p s ASN 28 N -2.43 6.44 0.01 -1.70 0.01 -1.26 -4.49 114.94 111.52 2c9p s ASN 28 Ca -0.01 2.80 -0.13 0.00 -0.71 0.00 0.00 52.86 54.81 2c9p s ASN 28 Cb 0.02 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 2c9p s ASN 28 CO -0.07 -0.93 0.38 -0.76 -1.51 0.00 0.00 177.10 174.21 2c9p s LEU 29 N 1.16 4.43 -0.42 0.60 1.43 -0.56 -4.37 118.68 120.95 2c9p s LEU 29 Ca 0.73 0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 54.42 2c9p s LEU 29 Cb -0.48 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.11 2c9p s LEU 29 CO 0.32 0.29 1.08 -0.69 0.23 0.00 0.00 176.35 177.58 2c9p s VAL 30 N -1.17 4.35 0.21 -1.59 1.01 0.32 -4.91 120.40 118.63 2c9p s VAL 30 Ca 0.26 1.34 -0.09 0.00 0.00 0.00 0.00 61.98 63.48 2c9p s VAL 30 Cb -0.15 -4.51 0.15 0.00 0.00 0.00 0.00 36.38 31.86 2c9p s VAL 30 CO 0.14 -0.80 1.82 0.74 0.00 0.00 0.00 175.10 177.00 2c9p h THR 31 N 6.03 0.99 -0.22 3.92 2.02 -1.90 -1.30 112.91 122.45 2c9p h THR 31 Ca -0.22 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2c9p h THR 31 Cb 1.06 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2c9p h THR 31 CO 1.08 0.13 0.15 -0.61 0.37 0.00 0.00 175.52 176.64 2c9p h GLN 32 N 0.73 0.29 -0.00 6.66 4.15 -1.96 -2.98 115.11 122.00 2c9p h GLN 32 Ca 0.30 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.71 2c9p h GLN 32 Cb 0.17 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.79 2c9p h GLN 32 CO -0.17 0.19 -0.63 1.19 -1.93 0.00 0.00 178.83 177.48 2c9p n PHE 33 N -4.50 0.00 -3.80 3.99 0.99 -0.96 -4.99 117.46 108.19 2c9p n PHE 33 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.20 2c9p n PHE 33 Cb 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.53 2c9p n PHE 33 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 2c9p s SER 34 N -2.30 6.35 -0.05 4.37 0.01 -0.53 -4.63 113.70 116.91 2c9p s SER 34 Ca 0.07 0.26 -0.19 0.00 1.31 0.00 0.00 55.95 57.40 2c9p s SER 34 Cb 0.12 -1.95 0.06 0.00 0.21 0.00 0.00 66.02 64.46 2c9p s SER 34 CO 0.57 -0.04 0.85 0.61 0.41 0.00 0.00 173.24 175.64 2c9p n GLY 35 N -0.88 0.23 3.54 3.44 0.00 -0.36 -4.90 105.19 106.27 2c9p n GLY 35 Ca -0.06 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 2c9p n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c9p s ALA 36 N -1.63 -1.55 -0.01 4.61 0.00 -1.26 0.33 121.76 122.25 2c9p s ALA 36 Ca 0.20 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.56 2c9p s ALA 36 Cb -0.00 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 2c9p s ALA 36 CO -0.02 -0.83 -0.10 -1.59 0.00 0.00 0.00 175.76 173.23 2c9p s LYS 37 N -3.68 0.86 -0.16 0.00 -2.85 -0.35 -4.92 119.74 108.63 2c9p s LYS 37 Ca 0.04 -0.35 -0.09 0.00 -1.00 0.00 0.00 55.97 54.57 2c9p s LYS 37 Cb -0.02 -0.82 -0.05 0.00 -2.06 0.00 0.00 37.83 34.88 2c9p s LYS 37 CO -0.08 0.20 0.16 -1.17 0.10 0.00 0.00 175.35 174.56 2c9p s LEU 38 N -0.14 4.28 -0.05 2.77 2.96 -1.26 -1.81 118.68 125.43 2c9p s LEU 38 Ca 0.02 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 2c9p s LEU 38 Cb -0.05 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.54 2c9p s LEU 38 CO -0.00 0.26 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.56 2c9p s VAL 39 N -0.15 0.48 -0.14 1.68 1.01 -0.41 -0.06 120.40 122.81 2c9p s VAL 39 Ca 0.12 -0.05 -0.26 0.00 0.00 0.00 0.00 61.98 61.79 2c9p s VAL 39 Cb -0.12 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 2c9p s VAL 39 CO 0.01 0.23 0.85 -0.32 0.00 0.00 0.00 175.10 175.87 2c9p s MET 40 N 1.21 4.34 -0.15 2.72 1.75 -0.34 -0.58 119.30 128.25 2c9p s MET 40 Ca -0.06 1.08 0.19 0.00 -1.25 0.00 0.00 55.69 55.64 2c9p s MET 40 Cb -0.14 -3.55 -0.27 0.00 2.84 0.00 0.00 34.83 33.72 2c9p s MET 40 CO -0.02 -0.27 0.17 0.25 -0.65 0.00 0.00 175.02 174.50 2c9p n THR 41 N 4.56 1.03 -3.71 10.11 -2.24 -0.25 -0.90 114.28 122.88 2c9p n THR 41 Ca 0.05 -0.75 -0.11 0.00 -2.27 0.00 0.00 64.05 60.96 2c9p n THR 41 Cb 0.49 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.31 2c9p n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c9p s ALA 42 N -2.72 -0.76 0.07 6.98 0.00 -1.18 -0.90 121.76 123.24 2c9p s ALA 42 Ca -0.09 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.68 2c9p s ALA 42 Cb 0.08 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.71 2c9p s ALA 42 CO 0.83 -0.53 0.25 0.00 0.00 0.00 0.00 175.76 176.31 2c9p s MET 43 N -3.28 0.83 0.28 0.00 0.23 -1.26 -0.99 119.30 115.10 2c9p s MET 43 Ca -0.00 -0.73 -0.30 0.00 -1.03 0.00 0.00 55.69 53.63 2c9p s MET 43 Cb 0.01 0.35 -0.12 0.00 -1.53 0.00 0.00 34.83 33.54 2c9p s MET 43 CO -0.08 -0.27 1.61 -2.30 -2.03 0.00 0.00 175.02 171.96 2c9p n PRO 44 N 0.27 2.69 -0.99 3.16 -0.02 -1.26 -2.62 135.00 136.23 2c9p n PRO 44 Ca -0.17 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2c9p n PRO 44 Cb 0.61 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2c9p n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c9p n GLY 45 N 2.49 0.59 3.11 -1.23 0.00 -1.26 -5.01 105.19 103.88 2c9p n GLY 45 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 2c9p n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2c9p s MET 46 N -0.13 0.65 0.62 1.61 -1.94 -1.08 -5.14 119.30 113.89 2c9p s MET 46 Ca 0.00 -0.87 -0.16 0.00 -1.71 0.00 0.00 55.69 52.95 2c9p s MET 46 Cb 0.00 -0.47 -0.02 0.00 2.01 0.00 0.00 34.83 36.35 2c9p s MET 46 CO 0.00 0.09 1.11 -1.83 -0.01 0.00 0.00 175.02 174.38 2c9p s GLU 47 N -1.80 3.02 0.27 2.03 -1.05 -1.26 -4.49 118.70 115.43 2c9p s GLU 47 Ca -0.06 1.42 -0.30 0.00 -0.15 0.00 0.00 54.97 55.88 2c9p s GLU 47 Cb -0.09 -1.98 -0.12 0.00 -0.44 0.00 0.00 34.13 31.50 2c9p s GLU 47 CO 0.01 -1.08 1.48 0.72 0.95 0.00 0.00 175.26 177.34 2c9p n HIS 48 N -2.06 2.49 -3.15 4.83 8.25 -1.26 -4.74 115.22 119.58 2c9p n HIS 48 Ca 0.10 0.37 0.04 0.00 -0.26 0.00 0.00 57.72 57.97 2c9p n HIS 48 Cb 0.52 -2.52 -0.00 0.00 1.12 0.00 0.00 29.99 29.11 2c9p n HIS 48 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2c9p s SER 49 N 0.32 -1.50 0.10 0.41 0.15 -0.08 -5.01 113.70 108.09 2c9p s SER 49 Ca 0.65 0.35 -0.32 0.00 0.70 0.00 0.00 55.95 57.33 2c9p s SER 49 Cb -0.57 2.02 -0.12 0.00 -1.71 0.00 0.00 66.02 65.64 2c9p s SER 49 CO 0.51 -0.28 1.77 -2.65 1.20 0.00 0.00 173.24 173.79 2c9p n PRO 50 N 5.41 2.52 -3.73 5.44 -0.02 -1.26 -4.44 135.00 138.93 2c9p n PRO 50 Ca 0.04 0.92 -0.17 0.00 -2.02 0.00 0.00 63.50 62.26 2c9p n PRO 50 Cb 0.53 -2.77 -0.17 0.00 -0.02 0.00 0.00 33.50 31.08 2c9p n PRO 50 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c9p s MET 51 N 2.40 -0.04 0.33 -0.52 0.23 -0.08 -5.00 119.30 116.62 2c9p s MET 51 Ca 0.83 0.30 -0.28 0.00 -1.03 0.00 0.00 55.69 55.51 2c9p s MET 51 Cb -0.57 -0.34 -0.13 0.00 -1.53 0.00 0.00 34.83 32.26 2c9p s MET 51 CO 0.40 -0.24 1.14 0.00 -2.03 0.00 0.00 175.02 174.29 2c9p n ALA 52 N 4.67 0.51 -3.08 3.16 0.00 -1.26 -1.20 120.51 123.31 2c9p n ALA 52 Ca -0.17 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.29 2c9p n ALA 52 Cb 0.50 -2.13 -0.13 0.00 0.00 0.00 0.00 19.45 17.69 2c9p n ALA 52 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2c9p s VAL 53 N -1.10 3.61 -0.02 0.00 1.01 0.92 -4.81 120.40 120.01 2c9p s VAL 53 Ca 0.58 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2c9p s VAL 53 Cb -0.63 -2.58 -0.07 0.00 0.00 0.00 0.00 36.38 33.11 2c9p s VAL 53 CO 0.61 0.48 1.79 -0.75 0.00 0.00 0.00 175.10 177.23 2c9p s LYS 54 N 0.59 4.14 0.03 2.72 2.20 -1.26 -4.48 119.74 123.68 2c9p s LYS 54 Ca -0.04 2.35 -0.28 0.00 -0.36 0.00 0.00 55.97 57.64 2c9p s LYS 54 Cb -0.15 -4.07 0.07 0.00 -1.51 0.00 0.00 37.83 32.18 2c9p s LYS 54 CO 0.03 -0.92 0.66 0.00 -0.36 0.00 0.00 175.35 174.75 2c9p s ALA 55 N 4.31 -1.71 -0.15 3.13 0.00 -1.26 -0.97 121.76 125.12 2c9p s ALA 55 Ca 0.80 1.00 -0.08 0.00 0.00 0.00 0.00 51.96 53.69 2c9p s ALA 55 Cb -0.37 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 2c9p s ALA 55 CO 0.35 -0.53 0.13 0.00 0.00 0.00 0.00 175.76 175.71 2c9p s ALA 56 N -2.20 3.79 -0.15 0.00 0.00 -0.19 -4.91 121.76 118.10 2c9p s ALA 56 Ca -0.06 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.25 2c9p s ALA 56 Cb -0.00 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2c9p s ALA 56 CO 0.01 0.47 -0.19 0.08 0.00 0.00 0.00 175.76 176.13 2c9p s VAL 57 N -0.56 2.37 0.02 0.00 1.01 -1.26 -0.06 120.40 121.92 2c9p s VAL 57 Ca 0.12 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2c9p s VAL 57 Cb -0.12 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2c9p s VAL 57 CO 0.02 0.53 0.01 -0.94 0.00 0.00 0.00 175.10 174.72 2c9p s SER 58 N 0.79 0.19 -0.11 3.32 1.04 0.05 -4.99 113.70 113.99 2c9p s SER 58 Ca -0.07 -0.44 -0.30 0.00 0.48 0.00 0.00 55.95 55.63 2c9p s SER 58 Cb -0.16 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 2c9p s SER 58 CO -0.00 -0.32 1.24 -0.83 0.98 0.00 0.00 173.24 174.30 2c9p s GLY 59 N -1.47 1.86 0.13 7.32 0.00 -1.26 -0.07 107.32 113.84 2c9p s GLY 59 Ca -0.15 0.55 -0.02 0.00 0.00 0.00 0.00 44.72 45.10 2c9p s GLY 59 CO -0.01 2.37 0.12 0.61 0.00 0.00 0.00 173.10 176.20 2c9p n GLY 60 N 3.50 -2.37 0.35 0.20 0.00 -0.88 -4.90 105.19 101.08 2c9p n GLY 60 Ca 0.13 -1.47 0.10 0.00 0.00 0.00 0.00 46.02 44.77 2c9p n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2c9p h GLY 61 N -0.70 1.64 -5.07 -0.02 0.00 -1.96 -3.40 103.07 93.57 2c9p h GLY 61 Ca -0.04 -0.36 -0.56 0.00 0.00 0.00 0.00 47.33 46.37 2c9p h GLY 61 CO 0.03 0.02 0.16 -0.35 0.00 0.00 0.00 176.54 176.40 2c9p s ASP 62 N -5.51 7.00 0.61 0.19 -1.08 -1.26 -4.96 116.67 111.66 2c9p s ASP 62 Ca -0.12 1.21 0.36 0.00 -0.52 0.00 0.00 52.55 53.48 2c9p s ASP 62 Cb 0.23 -2.43 1.97 0.00 -1.46 0.00 0.00 42.92 41.23 2c9p s ASP 62 CO 0.80 -0.18 2.25 -0.65 0.52 0.00 0.00 175.17 177.91 2c9p h PRO 63 N 6.89 0.00 -0.05 4.34 0.11 -1.94 -1.70 132.00 139.65 2c9p h PRO 63 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2c9p h PRO 63 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2c9p h PRO 63 CO 0.77 0.02 0.00 1.63 -0.21 0.00 0.00 178.00 180.21 2c9p n LYS 64 N -3.44 1.65 -4.92 1.05 5.02 -1.26 -1.50 118.16 114.76 2c9p n LYS 64 Ca -0.02 -0.96 -0.33 0.00 -2.02 0.00 0.00 58.31 54.98 2c9p n LYS 64 Cb 0.12 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.53 2c9p n LYS 64 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2c9p s THR 65 N -1.95 2.83 -0.10 -0.18 2.01 -0.64 -0.13 115.64 117.48 2c9p s THR 65 Ca 0.37 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.61 2c9p s THR 65 Cb 0.20 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 2c9p s THR 65 CO 0.32 0.55 -0.11 -0.32 -0.69 0.00 0.00 174.62 174.38 2c9p s MET 66 N -0.05 3.06 -0.15 4.92 1.75 -0.05 -2.08 119.30 126.70 2c9p s MET 66 Ca -0.04 -0.63 0.02 0.00 -1.25 0.00 0.00 55.69 53.79 2c9p s MET 66 Cb -0.14 -2.60 0.01 0.00 2.84 0.00 0.00 34.83 34.94 2c9p s MET 66 CO 0.04 0.43 -0.21 0.08 -0.65 0.00 0.00 175.02 174.70 2c9p s VAL 67 N -0.19 2.06 -0.23 10.11 1.01 0.90 -0.71 120.40 133.35 2c9p s VAL 67 Ca 0.01 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 2c9p s VAL 67 Cb -0.13 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2c9p s VAL 67 CO 0.03 0.55 0.03 -0.63 0.00 0.00 0.00 175.10 175.08 2c9p s ILE 68 N 0.99 4.05 -0.31 2.22 1.09 0.90 -0.77 121.20 129.37 2c9p s ILE 68 Ca -0.03 -0.26 0.01 0.00 -1.10 0.00 0.00 60.65 59.27 2c9p s ILE 68 Cb -0.15 -2.87 0.07 0.00 -1.06 0.00 0.00 42.46 38.46 2c9p s ILE 68 CO -0.06 0.37 0.00 -0.89 -0.10 0.00 0.00 174.94 174.27 2c9p s THR 69 N 1.46 2.56 0.40 2.92 2.01 0.91 0.33 115.64 126.24 2c9p s THR 69 Ca 0.05 -1.82 -0.25 0.00 0.31 0.00 0.00 61.69 59.98 2c9p s THR 69 Cb -0.15 -2.64 -0.11 0.00 0.01 0.00 0.00 72.50 69.62 2c9p s THR 69 CO 0.02 -0.29 1.16 -2.65 -0.69 0.00 0.00 174.62 172.16 2c9p n PRO 70 N 4.45 1.70 -0.24 4.92 -0.02 -1.26 -1.02 135.00 143.53 2c9p n PRO 70 Ca -0.07 0.60 -0.06 0.00 -2.02 0.00 0.00 63.50 61.95 2c9p n PRO 70 Cb 0.42 -2.22 0.05 0.00 -0.02 0.00 0.00 33.50 31.73 2c9p n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c9p h ALA 71 N 1.93 0.87 -2.23 3.55 0.00 -1.41 -3.44 119.26 118.52 2c9p h ALA 71 Ca -0.46 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 54.04 2c9p h ALA 71 Cb 1.31 -0.27 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 2c9p h ALA 71 CO 0.59 0.37 -0.70 -1.54 0.00 0.00 0.00 179.25 177.97 2c9p s SER 72 N -5.96 1.62 0.26 0.00 1.04 -1.26 -5.09 113.70 104.30 2c9p s SER 72 Ca -0.13 -1.06 -0.30 0.00 0.48 0.00 0.00 55.95 54.94 2c9p s SER 72 Cb 0.14 0.03 -0.14 0.00 0.10 0.00 0.00 66.02 66.15 2c9p s SER 72 CO 0.78 -0.41 1.22 -2.65 0.98 0.00 0.00 173.24 173.16 2c9p n PRO 73 N -0.21 1.69 -2.44 4.02 -0.02 -1.26 -4.92 135.00 131.86 2c9p n PRO 73 Ca -0.09 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 2c9p n PRO 73 Cb 0.61 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 2c9p n PRO 73 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2c9p s LEU 74 N 0.06 4.32 0.68 2.45 1.43 -1.26 -5.04 118.68 121.32 2c9p s LEU 74 Ca 0.63 1.90 -0.02 0.00 -1.03 0.00 0.00 54.13 55.61 2c9p s LEU 74 Cb -0.68 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.06 2c9p s LEU 74 CO 0.56 -0.54 0.95 0.42 0.23 0.00 0.00 176.35 177.97 2c9p s THR 75 N 1.76 2.33 0.26 5.49 -4.23 -1.26 -4.69 115.64 115.29 2c9p s THR 75 Ca 0.57 -0.51 -0.31 0.00 -1.18 0.00 0.00 61.69 60.26 2c9p s THR 75 Cb -0.27 -2.81 -0.13 0.00 1.34 0.00 0.00 72.50 70.63 2c9p s THR 75 CO 0.25 0.00 1.40 0.00 -0.54 0.00 0.00 174.62 175.73 2c9p n ALA 76 N -2.75 1.21 0.00 3.99 0.00 -1.26 -4.79 120.51 116.91 2c9p n ALA 76 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2c9p n ALA 76 Cb 0.60 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2c9p n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c9p n GLY 77 N 1.97 -1.68 3.68 0.00 0.00 -0.67 -4.48 105.19 104.01 2c9p n GLY 77 Ca 0.10 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 2c9p n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c9p s THR 78 N -2.56 4.42 0.06 2.61 2.01 -0.17 -0.17 115.64 121.84 2c9p s THR 78 Ca 0.00 -0.20 0.05 0.00 0.31 0.00 0.00 61.69 61.85 2c9p s THR 78 Cb 0.00 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 2c9p s THR 78 CO 0.00 0.58 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.05 2c9p s TYR 79 N -0.65 1.28 0.01 4.92 1.51 0.13 -1.09 117.35 123.46 2c9p s TYR 79 Ca 0.11 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.82 2c9p s TYR 79 Cb -0.12 -0.74 -0.02 0.00 -0.11 0.00 0.00 41.96 40.98 2c9p s TYR 79 CO 0.02 0.06 -0.19 -1.59 -1.11 0.00 0.00 175.55 172.74 2c9p s LYS 80 N -1.45 1.37 -0.40 -0.62 -2.85 0.26 -1.49 119.74 114.56 2c9p s LYS 80 Ca 0.01 -0.77 -0.06 0.00 -1.00 0.00 0.00 55.97 54.15 2c9p s LYS 80 Cb -0.09 -1.39 0.09 0.00 -2.06 0.00 0.00 37.83 34.38 2c9p s LYS 80 CO 0.02 0.37 0.21 0.08 0.10 0.00 0.00 175.35 176.13 2c9p s VAL 81 N -0.61 3.66 -0.52 1.79 1.01 0.11 -1.29 120.40 124.55 2c9p s VAL 81 Ca 0.06 -1.72 -0.28 0.00 0.00 0.00 0.00 61.98 60.05 2c9p s VAL 81 Cb -0.08 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.98 2c9p s VAL 81 CO 0.00 -0.56 1.14 -1.81 0.00 0.00 0.00 175.10 173.88 2c9p s ASP 82 N 1.94 6.54 0.14 3.32 1.01 -0.75 -1.58 116.67 127.30 2c9p s ASP 82 Ca 0.04 0.28 0.04 0.00 0.71 0.00 0.00 52.55 53.62 2c9p s ASP 82 Cb -0.23 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 2c9p s ASP 82 CO -0.01 -1.33 0.15 -1.66 0.21 0.00 0.00 175.17 172.52 2c9p s TRP 83 N 4.60 3.21 -0.16 4.23 1.48 -0.21 -1.21 118.94 130.88 2c9p s TRP 83 Ca 0.45 0.03 -0.00 0.00 -1.06 0.00 0.00 56.10 55.51 2c9p s TRP 83 Cb -0.08 -1.56 0.04 0.00 -1.16 0.00 0.00 33.47 30.72 2c9p s TRP 83 CO 0.29 0.52 -0.06 1.03 -4.06 0.00 0.00 176.95 174.67 2c9p s ARG 84 N -2.96 1.48 -0.20 3.25 0.52 0.15 -2.76 118.95 118.43 2c9p s ARG 84 Ca 0.31 -0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 55.00 2c9p s ARG 84 Cb -0.11 -1.99 0.01 0.00 0.52 0.00 0.00 34.95 33.38 2c9p s ARG 84 CO 0.24 -0.42 -0.11 0.00 0.02 0.00 0.00 175.30 175.03 2c9p s ALA 85 N 1.63 2.60 -0.15 2.13 0.00 0.91 -1.22 121.76 127.66 2c9p s ALA 85 Ca 0.01 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2c9p s ALA 85 Cb -0.15 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.51 2c9p s ALA 85 CO -0.08 -0.42 -0.14 0.08 0.00 0.00 0.00 175.76 175.21 2c9p s VAL 86 N 1.39 1.56 0.49 0.00 1.01 -1.26 -0.83 120.40 122.76 2c9p s VAL 86 Ca 0.05 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2c9p s VAL 86 Cb -0.14 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.79 2c9p s VAL 86 CO -0.07 0.44 0.57 -0.44 0.00 0.00 0.00 175.10 175.60 2c9p s SER 87 N 1.49 5.20 -0.02 3.32 0.01 -1.26 0.12 113.70 122.56 2c9p s SER 87 Ca 0.05 -0.75 -0.32 0.00 1.31 0.00 0.00 55.95 56.24 2c9p s SER 87 Cb -0.13 -0.18 -0.10 0.00 0.21 0.00 0.00 66.02 65.82 2c9p s SER 87 CO -0.10 -0.97 1.94 -1.20 0.41 0.00 0.00 173.24 173.32 2c9p n SER 88 N -1.90 3.88 -3.58 2.44 7.64 -1.26 -2.73 113.62 118.12 2c9p n SER 88 Ca 0.08 0.92 -0.26 0.00 1.01 0.00 0.00 58.87 60.62 2c9p n SER 88 Cb 0.61 -1.46 0.04 0.00 -1.01 0.00 0.00 64.21 62.39 2c9p n SER 88 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2c9p n ASP 89 N 7.23 -5.43 -4.26 6.43 10.43 -1.26 -4.97 116.55 124.71 2c9p n ASP 89 Ca 0.21 -0.56 -0.24 0.00 2.57 0.00 0.00 54.79 56.77 2c9p n ASP 89 Cb 0.36 -4.34 -0.13 0.00 1.84 0.00 0.00 41.12 38.86 2c9p n ASP 89 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2c9p s THR 90 N -3.24 1.65 0.36 -3.53 2.01 -1.10 -5.12 115.64 106.67 2c9p s THR 90 Ca 0.54 -1.41 -0.28 0.00 0.31 0.00 0.00 61.69 60.85 2c9p s THR 90 Cb -0.26 -1.48 -0.11 0.00 0.01 0.00 0.00 72.50 70.66 2c9p s THR 90 CO 0.67 0.02 1.42 -1.00 -0.69 0.00 0.00 174.62 175.03 2c9p s HIS 91 N -1.04 2.76 0.27 4.92 3.76 -1.26 -4.61 115.29 120.08 2c9p s HIS 91 Ca 0.06 1.26 -0.30 0.00 -0.15 0.00 0.00 55.06 55.94 2c9p s HIS 91 Cb -0.10 -3.89 -0.14 0.00 1.11 0.00 0.00 32.58 29.57 2c9p s HIS 91 CO 0.03 -2.57 1.23 -2.30 -0.85 0.00 0.00 174.74 170.29 2c9p n PRO 92 N 0.57 1.73 -4.72 8.40 -0.02 -1.26 -4.78 135.00 134.92 2c9p n PRO 92 Ca 0.01 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 2c9p n PRO 92 Cb 0.40 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 31.61 2c9p n PRO 92 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2c9p s ILE 93 N -0.60 3.39 0.30 4.25 -1.09 -0.01 -4.97 121.20 122.47 2c9p s ILE 93 Ca 0.63 -0.58 0.08 0.00 -2.23 0.00 0.00 60.65 58.55 2c9p s ILE 93 Cb -0.68 -2.38 -0.06 0.00 -1.58 0.00 0.00 42.46 37.76 2c9p s ILE 93 CO 0.56 0.57 -0.08 0.42 -1.23 0.00 0.00 174.94 175.18 2c9p s THR 94 N -0.46 1.87 0.00 2.92 -4.23 -1.26 -0.06 115.64 114.42 2c9p s THR 94 Ca 0.06 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 2c9p s THR 94 Cb -0.12 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2c9p s THR 94 CO 0.02 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 2c9p n GLY 95 N -0.64 -0.45 2.94 3.99 0.00 -1.11 -5.01 105.19 104.90 2c9p n GLY 95 Ca -0.05 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 2c9p n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c9p s SER 96 N 0.00 0.84 -0.14 1.61 0.01 -1.26 -1.05 113.70 113.71 2c9p s SER 96 Ca 0.00 -0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.10 2c9p s SER 96 Cb 0.00 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 2c9p s SER 96 CO 0.00 0.02 -0.01 -0.69 0.41 0.00 0.00 173.24 172.97 2c9p s VAL 97 N 0.33 4.12 -0.08 3.43 1.01 -0.61 -4.92 120.40 123.66 2c9p s VAL 97 Ca -0.04 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2c9p s VAL 97 Cb -0.08 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2c9p s VAL 97 CO -0.00 0.52 -0.18 -0.89 0.00 0.00 0.00 175.10 174.55 2c9p s THR 98 N 0.03 2.66 0.23 3.92 2.01 -1.26 0.08 115.64 123.31 2c9p s THR 98 Ca 0.02 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 2c9p s THR 98 Cb -0.13 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.32 2c9p s THR 98 CO 0.02 0.56 0.39 0.72 -0.69 0.00 0.00 174.62 175.62 2c9p s PHE 99 N -0.10 0.50 0.02 4.92 -0.71 -0.55 -0.51 117.98 121.55 2c9p s PHE 99 Ca -0.03 -0.83 0.06 0.00 -1.04 0.00 0.00 56.93 55.08 2c9p s PHE 99 Cb -0.14 0.03 -0.02 0.00 -1.21 0.00 0.00 43.02 41.68 2c9p s PHE 99 CO 0.04 -0.89 -0.17 0.15 -1.34 0.00 0.00 175.22 173.01 2c9p s LYS 100 N -4.03 1.23 -0.11 1.99 3.01 -0.54 -0.69 119.74 120.59 2c9p s LYS 100 Ca 0.24 -0.72 -0.02 0.00 -1.01 0.00 0.00 55.97 54.47 2c9p s LYS 100 Cb 0.01 -1.24 -0.03 0.00 -1.01 0.00 0.00 37.83 35.56 2c9p s LYS 100 CO 0.08 0.33 -0.03 0.08 0.51 0.00 0.00 175.35 176.32 2c9p s VAL 101 N -0.61 3.99 -2.59 3.17 1.01 0.76 -2.74 120.40 123.40 2c9p s VAL 101 Ca 0.05 -0.35 0.27 0.00 0.00 0.00 0.00 61.98 61.96 2c9p s VAL 101 Cb -0.07 -2.70 0.49 0.00 0.00 0.00 0.00 36.38 34.10 2c9p s VAL 101 CO 0.00 0.56 1.66 0.29 0.00 0.00 0.00 175.10 177.61