#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9r s PRO 2 N 0.00 4.05 0.08 -1.40 0.04 -1.26 -4.83 135.00 131.69 2c9r s PRO 2 Ca 0.00 0.87 0.09 0.00 0.04 0.00 0.00 61.00 62.00 2c9r s PRO 2 Cb 0.00 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 2c9r s PRO 2 CO 0.00 -0.01 -0.24 0.15 0.04 0.00 0.00 177.00 176.94 2c9r s LYS 3 N -3.35 1.72 0.08 4.56 -0.14 -1.26 -4.86 119.74 116.49 2c9r s LYS 3 Ca 0.58 -1.17 -0.31 0.00 -1.36 0.00 0.00 55.97 53.70 2c9r s LYS 3 Cb -0.10 -2.02 -0.07 0.00 -1.68 0.00 0.00 37.83 33.97 2c9r s LYS 3 CO 0.20 0.49 1.31 -1.17 -0.76 0.00 0.00 175.35 175.42 2c9r s LEU 4 N -1.69 4.37 -0.16 3.17 2.96 -1.26 -1.25 118.68 124.81 2c9r s LEU 4 Ca 0.14 2.18 0.09 0.00 -0.22 0.00 0.00 54.13 56.32 2c9r s LEU 4 Cb -0.10 -3.58 -0.16 0.00 0.50 0.00 0.00 46.19 42.85 2c9r s LEU 4 CO 0.05 -0.58 -0.03 0.52 -1.32 0.00 0.00 176.35 174.99 2c9r n VAL 5 N 3.99 1.04 -3.68 1.68 0.31 0.30 -4.93 118.33 117.04 2c9r n VAL 5 Ca 0.11 -0.54 -0.04 0.00 -0.01 0.00 0.00 64.34 63.85 2c9r n VAL 5 Cb 0.44 -0.83 -0.01 0.00 -0.91 0.00 0.00 33.84 32.53 2c9r n VAL 5 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2c9r s SER 6 N -5.21 -0.22 -0.01 4.52 1.04 -1.15 -5.04 113.70 107.63 2c9r s SER 6 Ca -0.14 -0.29 -0.16 0.00 0.48 0.00 0.00 55.95 55.84 2c9r s SER 6 Cb 0.05 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.64 2c9r s SER 6 CO 0.54 -0.80 0.34 -0.94 0.98 0.00 0.00 173.24 173.37 2c9r s SER 7 N -2.82 -0.23 -0.14 7.02 1.04 -1.26 -1.02 113.70 116.29 2c9r s SER 7 Ca 0.10 0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.64 2c9r s SER 7 Cb -0.01 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.48 2c9r s SER 7 CO -0.01 -0.49 -0.06 -0.89 0.98 0.00 0.00 173.24 172.78 2c9r s THR 8 N -1.48 1.01 0.85 2.02 2.01 -0.15 -3.04 115.64 116.86 2c9r s THR 8 Ca -0.12 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 2c9r s THR 8 Cb -0.04 -1.12 0.10 0.00 0.01 0.00 0.00 72.50 71.45 2c9r s THR 8 CO 0.04 0.24 1.10 -2.84 -0.69 0.00 0.00 174.62 172.47 2c9r s PRO 9 N 1.70 1.60 0.55 4.92 0.02 -1.26 -0.98 135.00 141.54 2c9r s PRO 9 Ca 0.03 1.08 -0.14 0.00 0.02 0.00 0.00 61.00 61.99 2c9r s PRO 9 Cb -0.14 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 2c9r s PRO 9 CO -0.08 -2.08 1.00 0.00 -0.33 0.00 0.00 177.00 175.51 2c9r s ALA 10 N -2.86 3.08 -0.08 -1.55 0.00 -1.17 -4.95 121.76 114.23 2c9r s ALA 10 Ca 0.63 0.07 -0.37 0.00 0.00 0.00 0.00 51.96 52.29 2c9r s ALA 10 Cb -0.18 -3.10 -0.15 0.00 0.00 0.00 0.00 23.12 19.69 2c9r s ALA 10 CO 0.57 -0.40 1.61 -1.91 0.00 0.00 0.00 175.76 175.63 2c9r n GLU 11 N -2.01 1.41 -0.81 0.00 4.07 -1.26 -1.92 120.64 120.12 2c9r n GLU 11 Ca 0.06 0.51 0.00 0.00 -0.06 0.00 0.00 57.16 57.68 2c9r n GLU 11 Cb 0.54 -2.22 0.00 0.00 -0.06 0.00 0.00 31.44 29.70 2c9r n GLU 11 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2c9r n GLY 12 N 3.58 0.66 3.81 8.31 0.00 0.52 -5.00 105.19 117.07 2c9r n GLY 12 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 2c9r n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c9r s SER 13 N -2.21 6.25 -0.07 1.61 1.04 -0.81 -4.88 113.70 114.64 2c9r s SER 13 Ca 0.00 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.19 2c9r s SER 13 Cb 0.00 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.61 2c9r s SER 13 CO 0.00 -0.84 -0.05 -1.61 0.98 0.00 0.00 173.24 171.71 2c9r s GLU 14 N -3.82 1.03 0.00 4.02 2.02 -1.26 -1.15 118.70 119.54 2c9r s GLU 14 Ca 0.63 -0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.49 2c9r s GLU 14 Cb -0.14 -1.08 0.00 0.00 0.10 0.00 0.00 34.13 33.01 2c9r s GLU 14 CO 0.30 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.84 2c9r n GLY 15 N 4.41 1.02 3.72 -1.39 0.00 -0.93 -4.97 105.19 107.05 2c9r n GLY 15 Ca -0.18 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 2c9r n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c9r s ALA 16 N -1.00 1.84 0.14 4.61 0.00 -1.26 -0.73 121.76 125.36 2c9r s ALA 16 Ca 0.00 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.13 2c9r s ALA 16 Cb 0.00 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 2c9r s ALA 16 CO 0.00 -2.29 1.58 0.00 0.00 0.00 0.00 175.76 175.06 2c9r s ALA 17 N -2.71 3.75 0.40 0.00 0.00 -1.26 -4.80 121.76 117.14 2c9r s ALA 17 Ca 0.65 1.32 -0.24 0.00 0.00 0.00 0.00 51.96 53.69 2c9r s ALA 17 Cb -0.21 -3.64 -0.09 0.00 0.00 0.00 0.00 23.12 19.19 2c9r s ALA 17 CO 0.56 -0.85 1.07 -1.25 0.00 0.00 0.00 175.76 175.29 2c9r s PRO 18 N 1.51 4.14 0.33 0.00 0.04 -1.26 -4.95 135.00 134.82 2c9r s PRO 18 Ca 0.71 1.57 0.13 0.00 0.04 0.00 0.00 61.00 63.45 2c9r s PRO 18 Cb -0.43 -2.57 0.57 0.00 0.04 0.00 0.00 34.50 32.12 2c9r s PRO 18 CO 0.31 -0.17 1.72 0.00 0.04 0.00 0.00 177.00 178.90 2c9r h ALA 19 N 2.53 1.12 -2.89 8.56 0.00 -1.97 -3.45 119.26 123.15 2c9r h ALA 19 Ca -0.48 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 53.97 2c9r h ALA 19 Cb 1.22 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 2c9r h ALA 19 CO 0.62 0.59 0.16 -1.59 0.00 0.00 0.00 179.25 179.04 2c9r s LYS 20 N -3.81 1.23 -0.15 0.00 -2.85 -1.26 -4.51 119.74 108.39 2c9r s LYS 20 Ca -0.02 -0.46 -0.02 0.00 -1.00 0.00 0.00 55.97 54.48 2c9r s LYS 20 Cb 0.13 0.56 -0.02 0.00 -2.06 0.00 0.00 37.83 36.44 2c9r s LYS 20 CO 0.73 -0.52 -0.09 0.42 0.10 0.00 0.00 175.35 175.99 2c9r s ILE 21 N -3.57 3.37 -0.11 3.79 1.01 0.23 -4.69 121.20 121.22 2c9r s ILE 21 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2c9r s ILE 21 Cb -0.00 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 2c9r s ILE 21 CO -0.11 0.50 -0.16 -1.61 0.00 0.00 0.00 174.94 173.56 2c9r s GLU 22 N 0.49 3.16 -0.14 2.79 2.02 -0.16 -0.13 118.70 126.74 2c9r s GLU 22 Ca -0.07 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2c9r s GLU 22 Cb -0.15 -2.50 -0.01 0.00 0.10 0.00 0.00 34.13 31.56 2c9r s GLU 22 CO 0.04 0.27 -0.14 -0.51 0.02 0.00 0.00 175.26 174.93 2c9r s LEU 23 N 0.18 2.63 -0.14 1.80 1.43 0.38 -0.98 118.68 123.98 2c9r s LEU 23 Ca -0.09 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2c9r s LEU 23 Cb -0.16 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 2c9r s LEU 23 CO 0.06 0.14 -0.16 -1.00 0.23 0.00 0.00 176.35 175.62 2c9r s HIS 24 N 0.48 2.76 0.37 0.29 3.76 -0.19 -0.95 115.29 121.81 2c9r s HIS 24 Ca -0.10 -0.88 0.08 0.00 -0.15 0.00 0.00 55.06 54.01 2c9r s HIS 24 Cb -0.16 -1.84 -0.05 0.00 1.11 0.00 0.00 32.58 31.64 2c9r s HIS 24 CO 0.05 -0.36 0.09 -0.06 -0.85 0.00 0.00 174.74 173.61 2c9r s PHE 25 N 0.55 2.59 -0.44 1.40 0.08 0.48 -0.54 117.98 122.10 2c9r s PHE 25 Ca -0.10 -0.50 0.23 0.00 0.12 0.00 0.00 56.93 56.68 2c9r s PHE 25 Cb -0.16 -1.71 0.34 0.00 -0.57 0.00 0.00 43.02 40.92 2c9r s PHE 25 CO 0.04 0.35 1.55 0.66 -0.10 0.00 0.00 175.22 177.71 2c9r h SER 26 N 1.63 0.00 -4.23 1.36 4.64 -1.47 -3.46 113.55 112.02 2c9r h SER 26 Ca -0.43 -0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.53 2c9r h SER 26 Cb 1.25 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.16 2c9r h SER 26 CO 0.69 0.00 -0.74 -1.61 -0.87 0.00 0.00 176.83 174.30 2c9r s GLU 27 N -3.22 0.92 0.23 4.77 2.02 -1.26 -4.95 118.70 117.22 2c9r s GLU 27 Ca 0.06 -1.20 -0.31 0.00 0.02 0.00 0.00 54.97 53.54 2c9r s GLU 27 Cb 0.06 -0.68 -0.11 0.00 0.10 0.00 0.00 34.13 33.50 2c9r s GLU 27 CO 0.68 0.12 1.62 -0.80 0.02 0.00 0.00 175.26 176.90 2c9r s ASN 28 N -2.48 6.45 0.19 -0.19 0.01 -1.26 -4.56 114.94 113.11 2c9r s ASN 28 Ca 0.07 2.82 -0.21 0.00 -0.71 0.00 0.00 52.86 54.83 2c9r s ASN 28 Cb -0.03 -2.61 -0.08 0.00 0.41 0.00 0.00 41.25 38.93 2c9r s ASN 28 CO 0.01 -0.89 0.73 -0.76 -1.51 0.00 0.00 177.10 174.68 2c9r s LEU 29 N 0.44 4.43 -0.45 0.60 1.43 -0.36 -4.41 118.68 120.37 2c9r s LEU 29 Ca 0.68 1.48 -0.23 0.00 -1.03 0.00 0.00 54.13 55.03 2c9r s LEU 29 Cb -0.47 -3.44 0.03 0.00 0.03 0.00 0.00 46.19 42.33 2c9r s LEU 29 CO 0.38 0.11 0.79 -0.69 0.23 0.00 0.00 176.35 177.17 2c9r s VAL 30 N -1.38 4.64 0.29 -1.59 1.01 0.69 -4.97 120.40 119.09 2c9r s VAL 30 Ca 0.40 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.87 2c9r s VAL 30 Cb -0.19 -4.33 0.05 0.00 0.00 0.00 0.00 36.38 31.92 2c9r s VAL 30 CO 0.22 -0.72 1.71 0.71 0.00 0.00 0.00 175.10 177.02 2c9r h THR 31 N 5.98 1.28 0.00 3.92 1.35 -1.90 -2.66 112.91 120.89 2c9r h THR 31 Ca -0.25 -1.38 -0.01 0.00 -0.55 0.00 0.00 66.41 64.22 2c9r h THR 31 Cb 1.08 1.51 -0.00 0.00 -1.73 0.00 0.00 68.15 69.01 2c9r h THR 31 CO 0.96 0.43 -0.07 0.06 -0.25 0.00 0.00 175.52 176.65 2c9r h GLN 32 N 0.32 0.00 -0.01 4.72 3.07 -1.97 -3.02 115.11 118.22 2c9r h GLN 32 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 2c9r h GLN 32 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.30 2c9r h GLN 32 CO 0.06 0.07 -0.44 1.19 0.09 0.00 0.00 178.83 179.79 2c9r n PHE 33 N -3.45 0.00 -3.97 0.06 0.99 -1.09 -4.97 117.46 105.03 2c9r n PHE 33 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.10 2c9r n PHE 33 Cb 0.21 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.63 2c9r n PHE 33 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 2c9r s SER 34 N -1.97 6.14 0.07 4.37 0.01 -1.02 -4.67 113.70 116.62 2c9r s SER 34 Ca 0.09 0.30 -0.06 0.00 1.31 0.00 0.00 55.95 57.59 2c9r s SER 34 Cb 0.11 -1.89 0.02 0.00 0.21 0.00 0.00 66.02 64.48 2c9r s SER 34 CO 0.44 0.29 0.30 0.61 0.41 0.00 0.00 173.24 175.29 2c9r n GLY 35 N 1.19 1.20 3.43 3.44 0.00 -0.30 -4.89 105.19 109.27 2c9r n GLY 35 Ca -0.13 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 2c9r n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c9r s ALA 36 N -1.31 -1.49 -0.03 4.61 0.00 -1.26 -1.31 121.76 120.96 2c9r s ALA 36 Ca 0.07 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.82 2c9r s ALA 36 Cb -0.01 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 2c9r s ALA 36 CO 0.02 -0.53 -0.16 0.21 0.00 0.00 0.00 175.76 175.30 2c9r s LYS 37 N -2.43 1.48 -0.19 0.00 2.20 -0.17 -4.94 119.74 115.69 2c9r s LYS 37 Ca -0.05 -0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 54.93 2c9r s LYS 37 Cb -0.01 -1.35 -0.03 0.00 -1.51 0.00 0.00 37.83 34.93 2c9r s LYS 37 CO -0.01 0.28 0.03 -1.17 -0.36 0.00 0.00 175.35 174.11 2c9r s LEU 38 N -0.13 3.54 0.02 5.43 2.96 -1.26 -1.44 118.68 127.79 2c9r s LEU 38 Ca 0.01 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 53.91 2c9r s LEU 38 Cb -0.09 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 2c9r s LEU 38 CO 0.01 0.12 -0.15 0.68 -1.32 0.00 0.00 176.35 175.68 2c9r s VAL 39 N 0.68 1.22 -0.25 1.68 -7.23 -0.18 -0.35 120.40 115.96 2c9r s VAL 39 Ca 0.01 -0.88 -0.16 0.00 -1.81 0.00 0.00 61.98 59.15 2c9r s VAL 39 Cb -0.14 -1.06 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 2c9r s VAL 39 CO 0.02 0.17 0.41 -0.32 -0.31 0.00 0.00 175.10 175.08 2c9r s MET 40 N -0.81 4.06 -0.01 4.82 1.75 0.24 -0.69 119.30 128.66 2c9r s MET 40 Ca 0.04 0.14 0.22 0.00 -1.25 0.00 0.00 55.69 54.84 2c9r s MET 40 Cb -0.07 -3.63 -0.29 0.00 2.84 0.00 0.00 34.83 33.68 2c9r s MET 40 CO 0.01 -0.24 0.65 0.25 -0.65 0.00 0.00 175.02 175.03 2c9r n THR 41 N 4.96 0.01 -3.52 10.11 -2.24 0.38 -1.23 114.28 122.75 2c9r n THR 41 Ca -0.07 -0.32 -0.16 0.00 -2.27 0.00 0.00 64.05 61.23 2c9r n THR 41 Cb 0.51 0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 2c9r n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c9r s ALA 42 N -3.33 -1.79 0.08 6.98 0.00 -1.17 -4.64 121.76 117.90 2c9r s ALA 42 Ca -0.02 1.28 0.06 0.00 0.00 0.00 0.00 51.96 53.28 2c9r s ALA 42 Cb 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 2c9r s ALA 42 CO 0.89 -0.41 -0.16 -1.64 0.00 0.00 0.00 175.76 174.44 2c9r s MET 43 N -1.49 0.93 0.00 0.00 1.00 -1.26 -0.94 119.30 117.54 2c9r s MET 43 Ca -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 55.69 54.61 2c9r s MET 43 Cb -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 34.83 33.81 2c9r s MET 43 CO 0.06 0.23 0.00 -2.30 0.00 0.00 0.00 175.02 173.01 2c9r n PRO 44 N 1.29 0.00 -4.47 2.03 -0.02 -1.26 -5.01 135.00 127.55 2c9r n PRO 44 Ca -0.20 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.94 2c9r n PRO 44 Cb 0.54 -0.82 -0.11 0.00 -0.02 0.00 0.00 33.50 33.09 2c9r n PRO 44 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2c9r s PRO 50 N 0.11 3.26 -0.12 0.52 0.02 -1.26 -5.14 135.00 132.39 2c9r s PRO 50 Ca 0.00 -0.51 0.02 0.00 0.02 0.00 0.00 61.00 60.53 2c9r s PRO 50 Cb 0.00 -2.79 0.00 0.00 0.02 0.00 0.00 34.50 31.73 2c9r s PRO 50 CO 0.00 0.45 -0.21 -1.64 -0.33 0.00 0.00 177.00 175.28 2c9r s MET 51 N -0.22 3.11 0.42 5.54 -1.94 -0.36 -4.95 119.30 120.89 2c9r s MET 51 Ca 0.04 -0.83 -0.26 0.00 -1.71 0.00 0.00 55.69 52.93 2c9r s MET 51 Cb -0.13 -2.43 -0.09 0.00 2.01 0.00 0.00 34.83 34.19 2c9r s MET 51 CO 0.02 0.10 1.43 0.00 -0.01 0.00 0.00 175.02 176.57 2c9r s ALA 52 N 0.56 3.36 -0.15 3.03 0.00 -1.26 -0.59 121.76 126.70 2c9r s ALA 52 Ca -0.12 1.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 2c9r s ALA 52 Cb -0.17 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 2c9r s ALA 52 CO 0.04 -1.10 -0.11 0.08 0.00 0.00 0.00 175.76 174.66 2c9r s VAL 53 N -1.18 3.10 0.09 0.00 1.01 0.52 -4.85 120.40 119.10 2c9r s VAL 53 Ca 0.58 -0.63 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 2c9r s VAL 53 Cb -0.44 -2.32 -0.11 0.00 0.00 0.00 0.00 36.38 33.51 2c9r s VAL 53 CO 0.58 0.51 1.87 1.17 0.00 0.00 0.00 175.10 179.22 2c9r n LYS 54 N 3.78 2.76 -3.67 2.72 4.81 -1.26 -4.48 118.16 122.82 2c9r n LYS 54 Ca -0.18 1.01 -0.14 0.00 -0.87 0.00 0.00 58.31 58.12 2c9r n LYS 54 Cb 0.52 -2.91 -0.08 0.00 0.02 0.00 0.00 35.03 32.58 2c9r n LYS 54 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2c9r s ALA 55 N 3.14 -1.42 0.11 3.14 0.00 -1.26 -1.26 121.76 124.21 2c9r s ALA 55 Ca 0.84 1.56 -0.22 0.00 0.00 0.00 0.00 51.96 54.14 2c9r s ALA 55 Cb -0.49 -0.85 -0.07 0.00 0.00 0.00 0.00 23.12 21.71 2c9r s ALA 55 CO 0.39 -0.28 0.67 0.00 0.00 0.00 0.00 175.76 176.55 2c9r s ALA 56 N 0.16 3.52 -0.10 0.00 0.00 -0.33 -4.89 121.76 120.12 2c9r s ALA 56 Ca -0.01 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.18 2c9r s ALA 56 Cb -0.04 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2c9r s ALA 56 CO 0.01 0.33 -0.21 0.08 0.00 0.00 0.00 175.76 175.97 2c9r s VAL 57 N -1.07 1.87 0.13 0.00 1.01 -1.26 -0.38 120.40 120.69 2c9r s VAL 57 Ca 0.32 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 2c9r s VAL 57 Cb -0.21 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2c9r s VAL 57 CO 0.22 0.52 0.23 -0.94 0.00 0.00 0.00 175.10 175.13 2c9r s SER 58 N 0.44 0.08 0.56 3.32 1.04 -0.23 -4.99 113.70 113.92 2c9r s SER 58 Ca -0.17 -0.77 -0.20 0.00 0.48 0.00 0.00 55.95 55.29 2c9r s SER 58 Cb -0.17 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 2c9r s SER 58 CO 0.07 -0.81 1.18 -0.83 0.98 0.00 0.00 173.24 173.84 2c9r s GLY 59 N -2.92 2.72 0.00 7.32 0.00 -1.26 -0.12 107.32 113.06 2c9r s GLY 59 Ca 0.11 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.79 2c9r s GLY 59 CO -0.05 1.35 0.00 0.61 0.00 0.00 0.00 173.10 175.01 2c9r n GLY 60 N 0.39 -0.01 0.28 0.20 0.00 0.20 -4.66 105.19 101.60 2c9r n GLY 60 Ca 0.12 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.38 2c9r n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2c9r h GLY 61 N 0.00 0.84 -2.82 -0.02 0.00 -1.97 -3.43 103.07 95.67 2c9r h GLY 61 Ca 0.00 0.13 -0.59 0.00 0.00 0.00 0.00 47.33 46.87 2c9r h GLY 61 CO 0.00 -0.30 -0.68 0.51 0.00 0.00 0.00 176.54 176.07 2c9r s ASP 62 N -5.19 4.34 0.13 0.19 -4.77 -1.26 -5.02 116.67 105.10 2c9r s ASP 62 Ca -0.13 -0.66 0.12 0.00 -3.30 0.00 0.00 52.55 48.57 2c9r s ASP 62 Cb 0.23 -0.74 0.56 0.00 -1.09 0.00 0.00 42.92 41.88 2c9r s ASP 62 CO 0.75 0.04 1.35 -0.81 0.70 0.00 0.00 175.17 177.21 2c9r n PRO 63 N -0.54 0.06 -0.08 2.11 -0.04 -1.26 -1.91 135.00 133.34 2c9r n PRO 63 Ca -0.08 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 2c9r n PRO 63 Cb 0.58 -1.68 0.30 0.00 -0.04 0.00 0.00 33.50 32.65 2c9r n PRO 63 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2c9r n LYS 64 N -1.81 2.07 -5.06 0.54 5.02 -1.26 -1.23 118.16 116.43 2c9r n LYS 64 Ca 0.00 -1.60 -0.32 0.00 -2.02 0.00 0.00 58.31 54.38 2c9r n LYS 64 Cb 0.06 -1.46 -0.15 0.00 -0.02 0.00 0.00 35.03 33.47 2c9r n LYS 64 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2c9r s THR 65 N -1.78 2.60 -0.05 -0.18 2.01 -0.80 -0.39 115.64 117.04 2c9r s THR 65 Ca 0.34 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.52 2c9r s THR 65 Cb 0.20 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.71 2c9r s THR 65 CO 0.30 0.58 -0.25 -0.32 -0.69 0.00 0.00 174.62 174.24 2c9r s MET 66 N -0.48 2.51 -0.08 4.92 1.75 -0.13 -0.62 119.30 127.17 2c9r s MET 66 Ca 0.06 -0.90 0.04 0.00 -1.25 0.00 0.00 55.69 53.64 2c9r s MET 66 Cb -0.12 -2.16 -0.01 0.00 2.84 0.00 0.00 34.83 35.39 2c9r s MET 66 CO 0.01 0.40 -0.22 0.08 -0.65 0.00 0.00 175.02 174.64 2c9r s VAL 67 N -0.21 2.27 -0.20 10.11 1.01 0.83 -0.47 120.40 133.73 2c9r s VAL 67 Ca -0.02 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 2c9r s VAL 67 Cb -0.13 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 2c9r s VAL 67 CO 0.03 0.56 -0.09 -0.63 0.00 0.00 0.00 175.10 174.97 2c9r s ILE 68 N 0.07 3.01 -0.33 2.22 1.09 0.82 -1.06 121.20 127.02 2c9r s ILE 68 Ca -0.10 -0.62 -0.01 0.00 -1.10 0.00 0.00 60.65 58.82 2c9r s ILE 68 Cb -0.16 -2.34 0.07 0.00 -1.06 0.00 0.00 42.46 38.98 2c9r s ILE 68 CO 0.06 0.46 0.05 -0.89 -0.10 0.00 0.00 174.94 174.52 2c9r s THR 69 N 1.31 2.97 0.39 2.92 2.01 0.49 -0.60 115.64 125.13 2c9r s THR 69 Ca 0.04 -1.63 -0.27 0.00 0.31 0.00 0.00 61.69 60.14 2c9r s THR 69 Cb -0.14 -2.83 -0.10 0.00 0.01 0.00 0.00 72.50 69.44 2c9r s THR 69 CO -0.05 -0.28 1.37 -2.65 -0.69 0.00 0.00 174.62 172.32 2c9r n PRO 70 N 4.58 2.25 0.19 4.92 -0.02 -1.26 -1.18 135.00 144.47 2c9r n PRO 70 Ca -0.09 0.79 0.03 0.00 -2.02 0.00 0.00 63.50 62.21 2c9r n PRO 70 Cb 0.43 -2.50 0.37 0.00 -0.02 0.00 0.00 33.50 31.78 2c9r n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c9r h ALA 71 N 2.48 1.37 -2.23 3.55 0.00 -1.54 -3.45 119.26 119.44 2c9r h ALA 71 Ca -0.49 -0.33 -0.32 0.00 0.00 0.00 0.00 54.91 53.77 2c9r h ALA 71 Cb 1.27 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 2c9r h ALA 71 CO 0.62 0.45 -0.71 -1.12 0.00 0.00 0.00 179.25 178.50 2c9r s SER 72 N -6.89 1.74 0.38 0.00 0.01 -1.26 -5.10 113.70 102.57 2c9r s SER 72 Ca -0.03 -1.03 -0.26 0.00 1.31 0.00 0.00 55.95 55.94 2c9r s SER 72 Cb 0.14 0.00 -0.11 0.00 0.21 0.00 0.00 66.02 66.26 2c9r s SER 72 CO 0.72 -0.36 1.17 -2.65 0.41 0.00 0.00 173.24 172.53 2c9r n PRO 73 N -0.21 1.76 -2.27 12.44 -0.02 -1.26 -4.90 135.00 140.54 2c9r n PRO 73 Ca -0.10 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 2c9r n PRO 73 Cb 0.61 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 2c9r n PRO 73 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2c9r s LEU 74 N -0.87 4.37 0.69 2.45 1.43 -1.26 -5.03 118.68 120.47 2c9r s LEU 74 Ca 0.59 2.21 -0.11 0.00 -1.03 0.00 0.00 54.13 55.79 2c9r s LEU 74 Cb -0.57 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.07 2c9r s LEU 74 CO 0.59 -0.57 1.07 0.42 0.23 0.00 0.00 176.35 178.09 2c9r s THR 75 N 1.03 3.87 0.33 5.49 -4.23 -1.26 -4.82 115.64 116.06 2c9r s THR 75 Ca 0.62 0.61 -0.29 0.00 -1.18 0.00 0.00 61.69 61.45 2c9r s THR 75 Cb -0.34 -3.51 -0.12 0.00 1.34 0.00 0.00 72.50 69.87 2c9r s THR 75 CO 0.30 -0.80 1.46 0.00 -0.54 0.00 0.00 174.62 175.04 2c9r n ALA 76 N -3.03 1.98 0.00 3.99 0.00 -1.26 -4.77 120.51 117.42 2c9r n ALA 76 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2c9r n ALA 76 Cb 0.55 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2c9r n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c9r n GLY 77 N 1.22 -0.43 3.62 0.00 0.00 -0.44 -4.41 105.19 104.75 2c9r n GLY 77 Ca 0.05 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 2c9r n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c9r s THR 78 N -2.65 4.30 0.14 2.61 2.01 -0.12 -0.43 115.64 121.50 2c9r s THR 78 Ca 0.00 -0.23 0.09 0.00 0.31 0.00 0.00 61.69 61.86 2c9r s THR 78 Cb 0.00 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 2c9r s THR 78 CO 0.00 0.55 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.96 2c9r s TYR 79 N -0.28 1.89 -0.05 4.92 1.51 0.49 -0.47 117.35 125.35 2c9r s TYR 79 Ca 0.06 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 2c9r s TYR 79 Cb -0.12 -0.98 0.01 0.00 -0.11 0.00 0.00 41.96 40.76 2c9r s TYR 79 CO 0.02 0.30 -0.11 0.21 -1.11 0.00 0.00 175.55 174.86 2c9r s LYS 80 N -2.40 1.45 -0.35 -0.62 2.20 0.13 -1.46 119.74 118.69 2c9r s LYS 80 Ca 0.13 -0.37 -0.10 0.00 -0.36 0.00 0.00 55.97 55.27 2c9r s LYS 80 Cb -0.08 -1.24 0.02 0.00 -1.51 0.00 0.00 37.83 35.02 2c9r s LYS 80 CO 0.06 0.05 0.17 0.08 -0.36 0.00 0.00 175.35 175.35 2c9r s VAL 81 N 0.55 4.40 -0.16 4.02 1.01 0.88 -1.01 120.40 130.09 2c9r s VAL 81 Ca -0.11 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.86 2c9r s VAL 81 Cb -0.14 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2c9r s VAL 81 CO 0.02 -0.15 0.52 -1.81 0.00 0.00 0.00 175.10 173.69 2c9r s ASP 82 N 1.53 6.66 0.16 3.32 1.01 -0.52 -1.34 116.67 127.49 2c9r s ASP 82 Ca 0.02 0.79 0.08 0.00 0.71 0.00 0.00 52.55 54.14 2c9r s ASP 82 Cb -0.19 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 2c9r s ASP 82 CO 0.06 -0.11 -0.17 -1.66 0.21 0.00 0.00 175.17 173.50 2c9r s TRP 83 N 1.17 1.75 -0.05 4.23 1.48 -0.37 -1.00 118.94 126.14 2c9r s TRP 83 Ca 0.26 -0.49 0.00 0.00 -1.06 0.00 0.00 56.10 54.81 2c9r s TRP 83 Cb -0.15 -0.87 0.02 0.00 -1.16 0.00 0.00 33.47 31.31 2c9r s TRP 83 CO 0.11 0.31 -0.03 0.50 -4.06 0.00 0.00 176.95 173.78 2c9r s ARG 84 N -2.87 0.70 -0.07 3.25 3.52 -0.43 -1.90 118.95 121.15 2c9r s ARG 84 Ca 0.15 -0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.76 2c9r s ARG 84 Cb -0.05 -0.84 0.01 0.00 -1.56 0.00 0.00 34.95 32.51 2c9r s ARG 84 CO 0.06 -0.16 -0.16 0.00 -0.81 0.00 0.00 175.30 174.23 2c9r s ALA 85 N 1.25 1.56 -0.03 6.12 0.00 0.32 -1.15 121.76 129.83 2c9r s ALA 85 Ca -0.06 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2c9r s ALA 85 Cb -0.14 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.35 2c9r s ALA 85 CO -0.02 0.18 -0.07 0.08 0.00 0.00 0.00 175.76 175.93 2c9r s VAL 86 N 0.53 0.67 0.00 0.00 1.01 -1.26 -1.05 120.40 120.30 2c9r s VAL 86 Ca -0.15 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2c9r s VAL 86 Cb -0.16 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.59 2c9r s VAL 86 CO 0.05 0.23 0.00 -0.24 0.00 0.00 0.00 175.10 175.14 2c9r n SER 87 N 3.54 1.88 0.22 3.32 2.88 -1.26 -0.23 113.62 123.98 2c9r n SER 87 Ca -0.20 -0.23 0.15 0.00 -1.33 0.00 0.00 58.87 57.25 2c9r n SER 87 Cb 0.53 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.68 2c9r n SER 87 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2c9r h SER 88 N 0.00 0.00 0.29 -3.46 4.64 -1.96 -1.58 113.55 111.48 2c9r h SER 88 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c9r h SER 88 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2c9r h SER 88 CO 0.00 0.00 -0.08 -0.90 -0.87 0.00 0.00 176.83 174.98 2c9r n ASP 89 N -2.68 0.48 0.00 4.97 5.68 -1.26 -4.95 116.55 118.79 2c9r n ASP 89 Ca 0.00 -0.70 0.00 0.00 -0.50 0.00 0.00 54.79 53.60 2c9r n ASP 89 Cb 0.21 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 2c9r n ASP 89 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2c9r n THR 90 N -0.87 0.00 -2.56 2.12 -2.24 -0.60 -5.01 114.28 105.12 2c9r n THR 90 Ca 0.16 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.51 2c9r n THR 90 Cb 0.26 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 2c9r n THR 90 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2c9r s PHE 91 N -3.14 3.18 0.03 4.78 0.40 -1.26 -4.90 117.98 117.07 2c9r s PHE 91 Ca 0.00 1.30 -0.30 0.00 -0.60 0.00 0.00 56.93 57.33 2c9r s PHE 91 Cb 0.00 -3.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.13 2c9r s PHE 91 CO 0.00 -0.95 1.05 -1.25 0.70 0.00 0.00 175.22 174.77 2c9r s PRO 92 N 3.04 4.53 -0.09 0.24 0.04 -1.26 -4.46 135.00 137.04 2c9r s PRO 92 Ca 0.49 1.53 0.01 0.00 0.04 0.00 0.00 61.00 63.08 2c9r s PRO 92 Cb -0.19 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 2c9r s PRO 92 CO 0.12 -0.09 -0.12 0.42 0.04 0.00 0.00 177.00 177.37 2c9r s ILE 93 N 0.93 3.24 0.16 0.56 -1.09 -0.21 -4.97 121.20 119.82 2c9r s ILE 93 Ca 0.54 -0.63 0.09 0.00 -2.23 0.00 0.00 60.65 58.42 2c9r s ILE 93 Cb -0.24 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 2c9r s ILE 93 CO 0.29 0.56 -0.20 0.42 -1.23 0.00 0.00 174.94 174.78 2c9r s THR 94 N -0.23 1.91 0.13 2.92 -4.23 -1.26 -0.52 115.64 114.36 2c9r s THR 94 Ca 0.01 -1.91 -0.14 0.00 -1.18 0.00 0.00 61.69 58.48 2c9r s THR 94 Cb -0.13 -1.87 0.05 0.00 1.34 0.00 0.00 72.50 71.89 2c9r s THR 94 CO 0.03 -0.25 0.67 0.61 -0.54 0.00 0.00 174.62 175.13 2c9r n GLY 95 N 0.36 0.87 3.03 3.99 0.00 -0.80 -5.01 105.19 107.64 2c9r n GLY 95 Ca -0.14 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 2c9r n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c9r s SER 96 N -2.59 0.59 -0.05 1.61 0.01 -1.26 -1.23 113.70 110.78 2c9r s SER 96 Ca 0.15 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.88 2c9r s SER 96 Cb -0.02 0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.29 2c9r s SER 96 CO 0.04 -0.26 -0.11 -0.69 0.41 0.00 0.00 173.24 172.63 2c9r s VAL 97 N -1.52 0.99 -0.06 3.43 1.01 -0.45 -4.97 120.40 118.84 2c9r s VAL 97 Ca -0.12 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2c9r s VAL 97 Cb -0.09 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2c9r s VAL 97 CO -0.01 0.32 -0.16 -0.89 0.00 0.00 0.00 175.10 174.36 2c9r s THR 98 N 0.50 2.94 0.18 3.92 2.01 -1.26 -0.09 115.64 123.84 2c9r s THR 98 Ca -0.10 -0.76 -0.14 0.00 0.31 0.00 0.00 61.69 61.00 2c9r s THR 98 Cb -0.13 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.24 2c9r s THR 98 CO 0.02 0.58 0.42 0.72 -0.69 0.00 0.00 174.62 175.68 2c9r s PHE 99 N -0.59 0.07 0.05 4.92 -0.71 -0.53 -0.36 117.98 120.83 2c9r s PHE 99 Ca 0.09 -0.42 0.09 0.00 -1.04 0.00 0.00 56.93 55.64 2c9r s PHE 99 Cb -0.11 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.88 2c9r s PHE 99 CO 0.01 -0.83 -0.25 0.15 -1.34 0.00 0.00 175.22 172.96 2c9r s LYS 100 N -3.90 1.84 -0.17 1.99 1.02 -0.30 -0.38 119.74 119.83 2c9r s LYS 100 Ca 0.12 -1.10 -0.02 0.00 0.02 0.00 0.00 55.97 54.99 2c9r s LYS 100 Cb 0.01 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.28 2c9r s LYS 100 CO -0.02 0.52 -0.07 0.08 -0.92 0.00 0.00 175.35 174.93 2c9r s VAL 101 N -0.84 3.39 0.00 3.17 1.01 0.42 -2.18 120.40 125.38 2c9r s VAL 101 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2c9r s VAL 101 Cb -0.10 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2c9r s VAL 101 CO 0.03 0.48 0.00 0.29 0.00 0.00 0.00 175.10 175.90