#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j9d s SER 0 N 0.00 6.70 0.05 1.61 1.04 -1.26 -5.00 113.70 116.84 2j9d s SER 0 Ca 0.00 0.84 0.03 0.00 0.48 0.00 0.00 55.95 57.30 2j9d s SER 0 Cb 0.00 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 2j9d s SER 0 CO 0.00 0.20 -0.01 -0.04 0.98 0.00 0.00 173.24 174.37 2j9d s MET 1 N -0.37 2.62 0.03 4.02 1.00 -1.25 -1.00 119.30 124.35 2j9d s MET 1 Ca 0.23 -0.74 0.02 0.00 0.00 0.00 0.00 55.69 55.20 2j9d s MET 1 Cb -0.16 -2.58 -0.02 0.00 0.00 0.00 0.00 34.83 32.08 2j9d s MET 1 CO 0.11 0.58 -0.08 0.15 0.00 0.00 0.00 175.02 175.78 2j9d s LYS 2 N -1.91 0.55 -0.22 2.03 -0.14 -0.00 -2.45 119.74 117.59 2j9d s LYS 2 Ca 0.22 -0.57 -0.15 0.00 -1.36 0.00 0.00 55.97 54.11 2j9d s LYS 2 Cb -0.12 -0.42 -0.04 0.00 -1.68 0.00 0.00 37.83 35.58 2j9d s LYS 2 CO 0.14 0.09 0.35 0.21 -0.76 0.00 0.00 175.35 175.38 2j9d s LYS 3 N -1.05 4.12 -0.32 1.68 2.20 0.55 -0.79 119.74 126.13 2j9d s LYS 3 Ca -0.05 0.08 -0.11 0.00 -0.36 0.00 0.00 55.97 55.53 2j9d s LYS 3 Cb -0.07 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.67 2j9d s LYS 3 CO 0.00 -0.07 0.20 0.08 -0.36 0.00 0.00 175.35 175.21 2j9d s VAL 4 N 1.42 5.05 -0.17 4.02 1.01 0.89 -0.62 120.40 132.01 2j9d s VAL 4 Ca 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 2j9d s VAL 4 Cb -0.15 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2j9d s VAL 4 CO 0.08 0.05 -0.05 -1.61 0.00 0.00 0.00 175.10 173.57 2j9d s GLU 5 N 1.69 3.57 -0.08 2.72 2.02 0.24 -1.14 118.70 127.72 2j9d s GLU 5 Ca 0.06 -0.56 0.04 0.00 0.02 0.00 0.00 54.97 54.53 2j9d s GLU 5 Cb -0.17 -2.91 -0.00 0.00 0.10 0.00 0.00 34.13 31.15 2j9d s GLU 5 CO 0.09 0.13 -0.23 0.00 0.02 0.00 0.00 175.26 175.27 2j9d s ALA 6 N 0.63 2.07 -0.34 5.21 0.00 0.36 -0.17 121.76 129.52 2j9d s ALA 6 Ca -0.03 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 2j9d s ALA 6 Cb -0.15 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.25 2j9d s ALA 6 CO 0.02 0.31 0.16 0.42 0.00 0.00 0.00 175.76 176.67 2j9d s ILE 7 N 0.23 4.33 0.35 0.00 -1.09 -0.19 -0.62 121.20 124.21 2j9d s ILE 7 Ca -0.14 -0.81 0.03 0.00 -2.23 0.00 0.00 60.65 57.51 2j9d s ILE 7 Cb -0.16 -3.36 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 2j9d s ILE 7 CO 0.07 -0.12 0.09 0.27 -1.23 0.00 0.00 174.94 174.01 2j9d s ILE 8 N 1.53 0.91 0.21 2.92 -4.36 -0.13 -2.57 121.20 119.71 2j9d s ILE 8 Ca 0.02 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.11 2j9d s ILE 8 Cb -0.19 -2.61 -0.09 0.00 1.25 0.00 0.00 42.46 40.83 2j9d s ILE 8 CO 0.05 0.00 1.37 -0.13 0.24 0.00 0.00 174.94 176.47 2j9d s ARG 9 N -3.84 4.33 0.40 0.37 0.52 -1.26 -1.29 118.95 118.18 2j9d s ARG 9 Ca 0.31 2.16 0.12 0.00 -0.52 0.00 0.00 55.73 57.80 2j9d s ARG 9 Cb 0.06 -3.16 0.93 0.00 0.52 0.00 0.00 34.95 33.30 2j9d s ARG 9 CO 0.15 -0.34 1.93 -1.35 0.02 0.00 0.00 175.30 175.70 2j9d h PRO 10 N 5.37 0.53 0.00 3.54 0.11 -1.89 -0.25 132.00 139.40 2j9d h PRO 10 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2j9d h PRO 10 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2j9d h PRO 10 CO 0.78 0.35 0.00 -0.85 -0.21 0.00 0.00 178.00 178.07 2j9d n GLU 11 N -4.50 0.15 0.00 1.05 0.00 -1.26 -2.33 120.64 113.75 2j9d n GLU 11 Ca 0.14 0.16 0.12 0.00 0.00 0.00 0.00 57.16 57.57 2j9d n GLU 11 Cb 0.43 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.44 2j9d n GLU 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2j9d n LYS 12 N -1.37 1.52 -0.05 3.44 4.76 -0.11 -4.59 118.16 121.77 2j9d n LYS 12 Ca 0.06 -1.23 -0.08 0.00 -2.87 0.00 0.00 58.31 54.19 2j9d n LYS 12 Cb 0.16 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.86 2j9d n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2j9d h LEU 13 N 3.01 -0.01 -0.36 -0.35 5.85 -1.51 -1.90 115.31 120.03 2j9d h LEU 13 Ca 0.00 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2j9d h LEU 13 Cb 0.80 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2j9d h LEU 13 CO 0.00 0.02 0.16 -0.08 -0.34 0.00 0.00 178.44 178.20 2j9d h GLU 14 N 0.12 0.54 -0.27 1.25 4.81 -1.82 -0.09 114.58 119.11 2j9d h GLU 14 Ca 0.10 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2j9d h GLU 14 Cb 0.11 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2j9d h GLU 14 CO -0.15 0.50 0.00 0.97 -0.73 0.00 0.00 179.01 179.61 2j9d h ILE 15 N 0.45 1.26 -0.37 2.32 6.09 -1.84 -1.69 117.51 123.72 2j9d h ILE 15 Ca 0.12 -0.91 -0.01 0.00 -1.37 0.00 0.00 64.86 62.69 2j9d h ILE 15 Cb 0.16 1.32 -0.02 0.00 0.47 0.00 0.00 36.82 38.75 2j9d h ILE 15 CO -0.01 0.29 0.19 0.58 -3.07 0.00 0.00 178.15 176.12 2j9d h VAL 16 N 0.26 1.16 -0.38 2.19 2.07 -1.20 -0.70 116.25 119.65 2j9d h VAL 16 Ca 0.08 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 2j9d h VAL 16 Cb 0.42 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2j9d h VAL 16 CO 0.01 0.16 0.01 0.07 0.02 0.00 0.00 177.57 177.85 2j9d h LYS 17 N 0.46 0.59 -0.09 1.57 2.10 -0.99 0.25 116.57 120.47 2j9d h LYS 17 Ca 0.13 -0.13 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 2j9d h LYS 17 Cb 0.09 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2j9d h LYS 17 CO -0.02 0.61 -0.04 -0.22 -2.00 0.00 0.00 179.45 177.78 2j9d h LYS 18 N 0.57 0.18 -0.63 0.07 3.11 -1.06 -0.93 116.57 117.88 2j9d h LYS 18 Ca 0.12 -0.08 0.05 0.00 -2.81 0.00 0.00 60.65 57.93 2j9d h LYS 18 Cb 0.35 -0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.52 2j9d h LYS 18 CO 0.01 0.55 0.35 0.00 -2.81 0.00 0.00 179.45 177.55 2j9d h ALA 19 N 0.63 0.83 -0.60 5.00 0.00 -0.91 0.79 119.26 125.00 2j9d h ALA 19 Ca 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2j9d h ALA 19 Cb 0.50 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2j9d h ALA 19 CO 0.01 0.03 0.24 -0.07 0.00 0.00 0.00 179.25 179.47 2j9d h LEU 20 N 0.66 0.83 -0.48 0.00 3.38 -0.92 -2.44 115.31 116.33 2j9d h LEU 20 Ca 0.28 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2j9d h LEU 20 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2j9d h LEU 20 CO -0.16 0.77 0.21 -1.28 0.09 0.00 0.00 178.44 178.07 2j9d h SER 21 N 0.84 0.65 0.05 -0.43 0.87 -0.74 0.62 113.55 115.42 2j9d h SER 21 Ca 0.20 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2j9d h SER 21 Cb 0.20 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2j9d h SER 21 CO -0.02 0.62 -0.05 0.44 -0.53 0.00 0.00 176.83 177.30 2j9d h ASP 22 N 0.63 0.00 -0.09 6.23 3.32 -0.68 -1.08 116.42 124.75 2j9d h ASP 22 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2j9d h ASP 22 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2j9d h ASP 22 CO -0.02 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.55 2j9d n ALA 23 N -2.50 2.56 -0.16 3.45 0.00 -0.94 -4.92 120.51 118.00 2j9d n ALA 23 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2j9d n ALA 23 Cb 0.13 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2j9d n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j9d n GLY 24 N 1.09 0.68 3.33 0.00 0.00 -0.41 -5.03 105.19 104.84 2j9d n GLY 24 Ca 0.17 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 2j9d n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j9d s TYR 25 N -2.22 3.56 -0.12 1.61 1.51 0.18 -4.83 117.35 117.04 2j9d s TYR 25 Ca 0.00 -1.73 0.19 0.00 -1.01 0.00 0.00 57.07 54.53 2j9d s TYR 25 Cb 0.00 -3.83 -0.28 0.00 -0.11 0.00 0.00 41.96 37.74 2j9d s TYR 25 CO 0.00 -1.02 0.24 1.55 -1.11 0.00 0.00 175.55 175.21 2j9d n VAL 26 N 4.46 0.77 -2.71 0.71 3.14 -1.26 -3.16 118.33 120.28 2j9d n VAL 26 Ca 0.04 -0.69 -0.43 0.00 -2.96 0.00 0.00 64.34 60.31 2j9d n VAL 26 Cb 0.45 -0.26 -0.03 0.00 -1.06 0.00 0.00 33.84 32.93 2j9d n VAL 26 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2j9d s GLY 27 N -5.02 1.35 0.03 7.55 0.00 -1.26 -4.99 107.32 104.98 2j9d s GLY 27 Ca -0.09 -0.77 -0.09 0.00 0.00 0.00 0.00 44.72 43.76 2j9d s GLY 27 CO 0.84 2.24 0.19 -3.16 0.00 0.00 0.00 173.10 173.21 2j9d s MET 28 N 4.21 0.67 -0.07 2.90 0.00 -1.26 -4.59 119.30 121.15 2j9d s MET 28 Ca 0.40 -0.58 0.04 0.00 0.00 0.00 0.00 55.69 55.55 2j9d s MET 28 Cb -0.09 0.28 -0.02 0.00 0.00 0.00 0.00 34.83 35.00 2j9d s MET 28 CO 0.27 -0.19 -0.18 0.99 0.00 0.00 0.00 175.02 175.91 2j9d s THR 29 N -2.36 2.72 -0.07 3.16 2.01 -0.18 -4.97 115.64 115.94 2j9d s THR 29 Ca -0.07 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.14 2j9d s THR 29 Cb -0.02 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.43 2j9d s THR 29 CO -0.03 0.57 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.61 2j9d s VAL 30 N -0.28 1.49 0.09 3.82 1.01 -1.26 -0.56 120.40 124.70 2j9d s VAL 30 Ca 0.01 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2j9d s VAL 30 Cb -0.13 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2j9d s VAL 30 CO 0.03 0.43 -0.10 -0.94 0.00 0.00 0.00 175.10 174.52 2j9d s SER 31 N 0.34 1.35 -0.18 3.32 1.04 -0.10 -5.00 113.70 114.48 2j9d s SER 31 Ca -0.11 -0.77 -0.20 0.00 0.48 0.00 0.00 55.95 55.35 2j9d s SER 31 Cb -0.15 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 2j9d s SER 31 CO 0.04 -0.26 0.57 -1.61 0.98 0.00 0.00 173.24 172.96 2j9d s GLU 32 N -2.61 4.23 0.40 4.02 2.02 -1.26 -0.85 118.70 124.65 2j9d s GLU 32 Ca 0.03 0.53 0.05 0.00 0.02 0.00 0.00 54.97 55.60 2j9d s GLU 32 Cb -0.04 -3.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.63 2j9d s GLU 32 CO -0.00 -0.13 0.20 1.33 0.02 0.00 0.00 175.26 176.68 2j9d n VAL 33 N 4.43 0.00 -4.95 2.63 0.24 -0.43 -4.94 118.33 115.31 2j9d n VAL 33 Ca -0.04 -2.49 -0.27 0.00 -2.04 0.00 0.00 64.34 59.51 2j9d n VAL 33 Cb 0.50 1.00 -0.16 0.00 -1.47 0.00 0.00 33.84 33.72 2j9d n VAL 33 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2j9d s LYS 34 N -3.55 1.72 0.18 7.34 1.02 -1.26 -0.68 119.74 124.52 2j9d s LYS 34 Ca 0.28 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.60 2j9d s LYS 34 Cb 0.01 -1.60 -0.05 0.00 -0.52 0.00 0.00 37.83 35.68 2j9d s LYS 34 CO 0.20 0.37 -0.02 0.20 -0.92 0.00 0.00 175.35 175.18 2j9d s GLY 35 N -0.31 1.27 -0.10 -3.33 0.00 0.56 -4.86 107.32 100.56 2j9d s GLY 35 Ca 0.04 -1.61 -0.39 0.00 0.00 0.00 0.00 44.72 42.76 2j9d s GLY 35 CO 0.00 -1.57 1.52 -0.96 0.00 0.00 0.00 173.10 172.10 2j9d n ARG 36 N -0.27 1.07 0.00 2.90 0.00 -1.26 0.51 116.66 119.60 2j9d n ARG 36 Ca -0.07 0.39 0.00 0.00 -0.00 0.00 0.00 57.85 58.17 2j9d n ARG 36 Cb 0.63 -2.04 0.00 0.00 -0.00 0.00 0.00 32.46 31.05 2j9d n ARG 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2j9d n GLY 37 N 3.29 -1.19 3.65 2.89 0.00 0.06 -4.82 105.19 109.08 2j9d n GLY 37 Ca 0.23 -1.63 -0.23 0.00 0.00 0.00 0.00 46.02 44.38 2j9d n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j9d s VAL 38 N -0.70 3.16 -0.19 1.61 0.11 -1.26 -4.80 120.40 118.33 2j9d s VAL 38 Ca 0.00 -1.90 -0.08 0.00 -2.93 0.00 0.00 61.98 57.07 2j9d s VAL 38 Cb 0.00 -2.84 -0.04 0.00 -1.53 0.00 0.00 36.38 31.97 2j9d s VAL 38 CO 0.00 -0.30 0.08 0.00 -3.33 0.00 0.00 175.10 171.55 2j9d s GLN 39 N -3.71 4.03 -0.30 1.54 -2.07 -1.26 -4.95 119.66 112.94 2j9d s GLN 39 Ca 0.33 -0.31 0.06 0.00 -1.82 0.00 0.00 55.36 53.62 2j9d s GLN 39 Cb -0.04 -3.27 0.19 0.00 -1.09 0.00 0.00 33.01 28.80 2j9d s GLN 39 CO 0.20 0.27 0.57 0.08 -1.32 0.00 0.00 175.29 175.09 2j9d s VAL 53 N 0.40 -0.94 0.44 3.63 1.01 -1.26 -5.14 120.40 118.54 2j9d s VAL 53 Ca 0.04 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.01 2j9d s VAL 53 Cb -0.12 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2j9d s VAL 53 CO -0.00 -0.05 0.03 1.51 0.00 0.00 0.00 175.10 176.59 2j9d s ASP 54 N 2.67 3.69 -0.08 3.32 3.84 -1.26 -4.82 116.67 124.04 2j9d s ASP 54 Ca 0.11 -1.53 -0.26 0.00 -0.00 0.00 0.00 52.55 50.86 2j9d s ASP 54 Cb -0.10 0.15 -0.03 0.00 -1.38 0.00 0.00 42.92 41.57 2j9d s ASP 54 CO -0.24 -0.70 0.85 -0.76 -0.00 0.00 0.00 175.17 174.31 2j9d s LEU 55 N -3.75 4.29 0.27 2.11 1.43 -1.26 -0.76 118.68 121.01 2j9d s LEU 55 Ca 0.21 1.36 0.07 0.00 -1.03 0.00 0.00 54.13 54.74 2j9d s LEU 55 Cb 0.05 -3.32 -0.06 0.00 0.03 0.00 0.00 46.19 42.90 2j9d s LEU 55 CO 0.11 -0.26 -0.07 0.27 0.23 0.00 0.00 176.35 176.62 2j9d s ILE 56 N 1.33 1.62 0.25 -0.59 -4.36 0.18 -4.84 121.20 114.78 2j9d s ILE 56 Ca 0.43 -2.13 -0.31 0.00 -0.26 0.00 0.00 60.65 58.38 2j9d s ILE 56 Cb -0.18 -2.38 -0.12 0.00 1.25 0.00 0.00 42.46 41.03 2j9d s ILE 56 CO 0.20 -0.34 1.66 -2.84 0.24 0.00 0.00 174.94 173.85 2j9d s PRO 57 N -3.72 4.12 0.22 0.37 0.02 -1.26 -0.32 135.00 134.42 2j9d s PRO 57 Ca 0.28 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.90 2j9d s PRO 57 Cb 0.03 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.46 2j9d s PRO 57 CO 0.11 -0.69 0.10 0.15 -0.33 0.00 0.00 177.00 176.33 2j9d s LYS 58 N 0.36 1.27 -0.10 5.54 -0.14 0.15 -4.53 119.74 122.29 2j9d s LYS 58 Ca 0.69 -1.67 0.03 0.00 -1.36 0.00 0.00 55.97 53.66 2j9d s LYS 58 Cb -0.49 -0.03 -0.01 0.00 -1.68 0.00 0.00 37.83 35.62 2j9d s LYS 58 CO 0.40 -0.31 -0.19 0.54 -0.76 0.00 0.00 175.35 175.03 2j9d s VAL 59 N -3.92 2.58 -0.25 3.17 0.11 -0.41 -1.31 120.40 120.36 2j9d s VAL 59 Ca 0.36 -0.85 -0.11 0.00 -2.93 0.00 0.00 61.98 58.45 2j9d s VAL 59 Cb 0.07 -2.03 -0.05 0.00 -1.53 0.00 0.00 36.38 32.85 2j9d s VAL 59 CO 0.11 0.55 0.17 -0.75 -3.33 0.00 0.00 175.10 171.85 2j9d s LYS 60 N 0.15 4.03 -0.14 1.54 2.20 -0.03 -0.96 119.74 126.53 2j9d s LYS 60 Ca -0.10 -0.28 -0.04 0.00 -0.36 0.00 0.00 55.97 55.19 2j9d s LYS 60 Cb -0.16 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 2j9d s LYS 60 CO 0.06 -0.02 -0.01 0.42 -0.36 0.00 0.00 175.35 175.44 2j9d s ILE 61 N 1.28 4.14 -0.11 5.43 1.01 0.21 -0.92 121.20 132.24 2j9d s ILE 61 Ca 0.07 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.47 2j9d s ILE 61 Cb -0.14 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.53 2j9d s ILE 61 CO 0.07 0.51 -0.20 -1.61 0.00 0.00 0.00 174.94 173.71 2j9d s GLU 62 N 0.06 2.66 -0.06 2.79 2.02 0.28 -0.49 118.70 125.95 2j9d s GLU 62 Ca 0.01 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.29 2j9d s GLU 62 Cb -0.13 -2.11 0.02 0.00 0.10 0.00 0.00 34.13 32.00 2j9d s GLU 62 CO 0.02 0.05 -0.09 -0.51 0.02 0.00 0.00 175.26 174.75 2j9d s LEU 63 N 0.67 1.48 -0.25 1.80 1.02 -0.29 -1.01 118.68 122.10 2j9d s LEU 63 Ca -0.12 -0.24 -0.11 0.00 0.02 0.00 0.00 54.13 53.68 2j9d s LEU 63 Cb -0.16 -0.69 -0.05 0.00 0.02 0.00 0.00 46.19 45.31 2j9d s LEU 63 CO 0.03 -0.01 0.19 -0.69 0.02 0.00 0.00 176.35 175.89 2j9d s VAL 64 N 0.86 5.33 0.21 -1.59 1.01 -1.26 -0.08 120.40 124.88 2j9d s VAL 64 Ca -0.11 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2j9d s VAL 64 Cb -0.15 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 2j9d s VAL 64 CO 0.01 0.31 0.04 0.68 0.00 0.00 0.00 175.10 176.15 2j9d s VAL 65 N 1.27 0.62 0.44 2.92 -7.23 0.03 -4.96 120.40 113.49 2j9d s VAL 65 Ca 0.09 -1.99 -0.25 0.00 -1.81 0.00 0.00 61.98 58.01 2j9d s VAL 65 Cb -0.14 -2.35 -0.08 0.00 0.56 0.00 0.00 36.38 34.36 2j9d s VAL 65 CO 0.06 -0.26 1.41 -0.54 -0.31 0.00 0.00 175.10 175.47 2j9d s LYS 66 N -3.97 3.73 0.38 4.82 1.02 -1.26 -0.82 119.74 123.64 2j9d s LYS 66 Ca 0.30 2.39 0.14 0.00 0.02 0.00 0.00 55.97 58.82 2j9d s LYS 66 Cb 0.07 -2.68 0.96 0.00 -0.52 0.00 0.00 37.83 35.66 2j9d s LYS 66 CO 0.08 -0.77 1.82 1.49 -0.92 0.00 0.00 175.35 177.06 2j9d h GLU 67 N 2.39 0.52 0.00 1.68 4.81 -1.39 -0.20 114.58 122.39 2j9d h GLU 67 Ca -0.51 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2j9d h GLU 67 Cb 1.26 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2j9d h GLU 67 CO 0.61 0.35 0.00 1.05 -0.73 0.00 0.00 179.01 180.29 2j9d h GLU 68 N 0.54 0.00 -0.01 1.92 4.11 -1.91 -2.73 114.58 116.50 2j9d h GLU 68 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.95 2j9d h GLU 68 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2j9d h GLU 68 CO -0.25 0.00 -0.35 -0.25 0.07 0.00 0.00 179.01 178.23 2j9d n ASP 69 N -3.04 1.19 -0.11 3.06 8.00 -0.09 -4.50 116.55 121.06 2j9d n ASP 69 Ca -0.01 -0.97 -0.09 0.00 0.71 0.00 0.00 54.79 54.43 2j9d n ASP 69 Cb 0.22 0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.56 2j9d n ASP 69 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2j9d h VAL 70 N 1.32 1.13 -0.81 2.53 2.07 -1.52 -1.02 116.25 119.95 2j9d h VAL 70 Ca 0.00 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2j9d h VAL 70 Cb 0.56 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 2j9d h VAL 70 CO 0.00 0.14 0.52 0.44 0.02 0.00 0.00 177.57 178.69 2j9d h ASP 71 N 0.45 0.86 -0.21 0.57 3.45 -1.80 -0.62 116.42 119.13 2j9d h ASP 71 Ca 0.13 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.56 2j9d h ASP 71 Cb 0.04 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.61 2j9d h ASP 71 CO -0.02 0.60 0.07 -1.13 -1.57 0.00 0.00 179.24 177.18 2j9d h ASN 72 N 1.02 0.30 -0.24 6.45 -1.24 -1.73 -1.50 115.58 118.63 2j9d h ASN 72 Ca 0.32 -0.20 0.03 0.00 0.71 0.00 0.00 56.30 57.16 2j9d h ASN 72 Cb -0.00 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 2j9d h ASN 72 CO -0.11 0.42 0.06 0.58 -1.29 0.00 0.00 177.43 177.09 2j9d h VAL 73 N 0.17 0.92 -0.64 2.57 2.07 -0.84 -1.43 116.25 119.06 2j9d h VAL 73 Ca 0.07 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.55 2j9d h VAL 73 Cb 0.22 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2j9d h VAL 73 CO -0.00 0.03 0.41 0.40 0.02 0.00 0.00 177.57 178.43 2j9d h ILE 74 N 0.16 1.13 -0.15 4.57 2.04 -1.06 -1.11 117.51 123.10 2j9d h ILE 74 Ca 0.11 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.70 2j9d h ILE 74 Cb 0.09 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2j9d h ILE 74 CO -0.12 0.15 0.04 0.44 0.00 0.00 0.00 178.15 178.66 2j9d h ASP 75 N 0.83 0.04 -0.26 1.72 3.32 -0.91 -0.70 116.42 120.45 2j9d h ASP 75 Ca 0.25 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.34 2j9d h ASP 75 Cb -0.04 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2j9d h ASP 75 CO -0.08 0.04 0.09 0.40 -1.72 0.00 0.00 179.24 177.98 2j9d h ILE 76 N 0.11 0.94 -0.25 0.35 2.04 -1.01 -0.91 117.51 118.77 2j9d h ILE 76 Ca 0.06 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2j9d h ILE 76 Cb 0.04 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2j9d h ILE 76 CO -0.07 0.04 0.09 0.40 0.00 0.00 0.00 178.15 178.61 2j9d h ILE 77 N 0.22 1.18 -0.30 -0.67 2.04 -0.98 -2.13 117.51 116.87 2j9d h ILE 77 Ca 0.12 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.42 2j9d h ILE 77 Cb 0.08 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2j9d h ILE 77 CO -0.12 0.19 0.18 0.00 0.00 0.00 0.00 178.15 178.40 2j9d h GLU 79 N 0.37 0.43 0.00 0.00 4.57 -1.04 -2.23 114.58 116.67 2j9d h GLU 79 Ca 0.12 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2j9d h GLU 79 Cb -0.01 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 2j9d h GLU 79 CO -0.05 0.28 -1.09 0.09 -1.18 0.00 0.00 179.01 177.06 2j9d n ASN 80 N -4.93 0.70 0.02 1.04 4.13 -0.81 -4.16 115.26 111.25 2j9d n ASN 80 Ca 0.04 0.20 0.11 0.00 1.68 0.00 0.00 54.58 56.62 2j9d n ASN 80 Cb 0.15 0.65 -0.09 0.00 -1.54 0.00 0.00 39.78 38.95 2j9d n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2j9d n ALA 81 N -2.11 3.06 -1.80 5.41 0.00 0.35 -4.64 120.51 120.77 2j9d n ALA 81 Ca 0.00 -0.44 -0.34 0.00 0.00 0.00 0.00 53.44 52.66 2j9d n ALA 81 Cb 0.53 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 2j9d n ALA 81 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2j9d s ARG 82 N -3.37 3.94 0.00 0.00 1.70 -0.85 -4.82 118.95 115.55 2j9d s ARG 82 Ca -0.03 1.30 0.00 0.00 -0.47 0.00 0.00 55.73 56.54 2j9d s ARG 82 Cb 0.13 -2.15 0.00 0.00 -0.57 0.00 0.00 34.95 32.36 2j9d s ARG 82 CO 0.86 -0.30 0.00 0.25 -1.08 0.00 0.00 175.30 175.03 2j9d n THR 83 N -0.81 0.00 -0.25 4.99 -2.24 -1.26 -5.03 114.28 109.68 2j9d n THR 83 Ca 0.08 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2j9d n THR 83 Cb 0.53 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 2j9d n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j9d n GLY 84 N 1.38 0.90 3.87 3.38 0.00 -1.26 -5.07 105.19 108.39 2j9d n GLY 84 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2j9d n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2j9d s ASN 85 N -2.93 6.00 0.30 1.61 0.02 -1.26 -5.08 114.94 113.61 2j9d s ASN 85 Ca 0.00 0.11 -0.29 0.00 -1.02 0.00 0.00 52.86 51.66 2j9d s ASN 85 Cb 0.00 -1.74 -0.13 0.00 0.02 0.00 0.00 41.25 39.40 2j9d s ASN 85 CO 0.00 0.13 1.22 -2.65 0.02 0.00 0.00 177.10 175.82 2j9d n PRO 86 N 0.04 1.85 0.00 -0.60 -0.02 -1.26 -3.37 135.00 131.64 2j9d n PRO 86 Ca -0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2j9d n PRO 86 Cb 0.52 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2j9d n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2j9d n GLY 87 N 1.19 1.07 0.22 -1.23 0.00 -1.26 -4.87 105.19 100.32 2j9d n GLY 87 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 2j9d n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2j9d h ASP 88 N 0.00 0.00 -4.77 1.61 5.19 -1.91 -3.42 116.42 113.13 2j9d h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2j9d h ASP 88 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2j9d h ASP 88 CO 0.00 0.25 0.00 0.61 -3.12 0.00 0.00 179.24 176.98 2j9d n GLY 89 N -0.34 -0.72 3.07 2.75 0.00 -1.26 -4.30 105.19 104.39 2j9d n GLY 89 Ca -0.01 -2.18 -0.09 0.00 0.00 0.00 0.00 46.02 43.73 2j9d n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j9d s LYS 90 N 0.00 0.50 -0.05 1.61 1.02 -1.06 -5.00 119.74 116.76 2j9d s LYS 90 Ca 0.00 -0.75 0.06 0.00 0.02 0.00 0.00 55.97 55.29 2j9d s LYS 90 Cb 0.00 0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 37.49 2j9d s LYS 90 CO 0.00 -0.11 -0.22 0.42 -0.92 0.00 0.00 175.35 174.52 2j9d s ILE 91 N -2.35 1.84 -0.01 2.17 1.01 -1.26 -1.02 121.20 121.58 2j9d s ILE 91 Ca -0.07 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.71 2j9d s ILE 91 Cb -0.03 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 2j9d s ILE 91 CO -0.04 0.52 -0.25 -0.36 0.00 0.00 0.00 174.94 174.81 2j9d s PHE 92 N -0.10 2.23 -0.18 3.97 0.08 0.77 -4.98 117.98 119.76 2j9d s PHE 92 Ca -0.03 -0.42 -0.02 0.00 0.12 0.00 0.00 56.93 56.57 2j9d s PHE 92 Cb -0.13 -1.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 2j9d s PHE 92 CO 0.03 -0.02 -0.09 0.08 -0.10 0.00 0.00 175.22 175.13 2j9d s VAL 93 N -0.61 3.19 -0.05 -0.44 1.01 -1.26 -0.59 120.40 121.64 2j9d s VAL 93 Ca 0.10 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2j9d s VAL 93 Cb -0.10 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 2j9d s VAL 93 CO -0.01 0.47 -0.21 -0.63 0.00 0.00 0.00 175.10 174.73 2j9d s ILE 94 N 1.00 1.72 0.31 2.22 1.01 0.21 -4.98 121.20 122.70 2j9d s ILE 94 Ca -0.01 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.49 2j9d s ILE 94 Cb -0.15 -1.47 -0.10 0.00 0.01 0.00 0.00 42.46 40.76 2j9d s ILE 94 CO -0.01 0.48 1.31 -2.16 0.00 0.00 0.00 174.94 174.56 2j9d s PRO 95 N 0.01 4.37 -0.20 2.79 0.04 -1.26 -0.33 135.00 140.41 2j9d s PRO 95 Ca -0.06 2.19 0.01 0.00 0.04 0.00 0.00 61.00 63.18 2j9d s PRO 95 Cb -0.13 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.35 2j9d s PRO 95 CO 0.03 -0.19 -0.16 0.08 0.04 0.00 0.00 177.00 176.81 2j9d s VAL 96 N -0.98 2.26 -0.28 -0.36 1.01 -1.03 -4.78 120.40 116.24 2j9d s VAL 96 Ca 0.50 -1.05 0.22 0.00 0.00 0.00 0.00 61.98 61.65 2j9d s VAL 96 Cb -0.39 -2.05 0.09 0.00 0.00 0.00 0.00 36.38 34.03 2j9d s VAL 96 CO 0.51 0.39 1.20 -0.33 0.00 0.00 0.00 175.10 176.87 2j9d h GLU 97 N 7.93 0.00 -2.23 2.72 5.08 -1.95 -3.34 114.58 122.79 2j9d h GLU 97 Ca -0.39 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 2j9d h GLU 97 Cb 1.12 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.15 2j9d h GLU 97 CO 0.60 0.04 0.03 0.50 -1.00 0.00 0.00 179.01 179.17 2j9d s ARG 98 N -3.28 0.76 -0.07 2.33 3.52 -1.26 -5.01 118.95 115.94 2j9d s ARG 98 Ca 0.02 0.79 0.03 0.00 -0.13 0.00 0.00 55.73 56.44 2j9d s ARG 98 Cb 0.08 0.37 0.01 0.00 -1.56 0.00 0.00 34.95 33.85 2j9d s ARG 98 CO 0.76 -0.11 -0.15 0.08 -0.81 0.00 0.00 175.30 175.07 2j9d s VAL 99 N 0.17 1.36 -0.05 7.11 1.01 -1.26 -5.04 120.40 123.70 2j9d s VAL 99 Ca -0.01 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2j9d s VAL 99 Cb -0.04 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.14 2j9d s VAL 99 CO 0.02 0.40 -0.09 -0.69 0.00 0.00 0.00 175.10 174.74 2j9d s VAL 100 N 0.53 0.86 -0.20 2.92 1.01 -1.26 -1.77 120.40 122.49 2j9d s VAL 100 Ca -0.14 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 2j9d s VAL 100 Cb -0.16 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 2j9d s VAL 100 CO 0.05 0.28 0.87 -0.60 0.00 0.00 0.00 175.10 175.70 2j9d s ARG 101 N 0.55 4.26 0.24 2.72 3.52 -0.11 -4.97 118.95 125.16 2j9d s ARG 101 Ca -0.10 1.06 -0.07 0.00 -0.13 0.00 0.00 55.73 56.50 2j9d s ARG 101 Cb -0.13 -3.60 0.28 0.00 -1.56 0.00 0.00 34.95 29.94 2j9d s ARG 101 CO 0.02 -0.42 1.88 0.28 -0.81 0.00 0.00 175.30 176.24 2j9d h VAL 102 N 5.29 1.13 -0.03 7.11 2.07 -1.97 0.11 116.25 129.96 2j9d h VAL 102 Ca -0.26 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2j9d h VAL 102 Cb 1.11 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2j9d h VAL 102 CO 0.87 0.20 -0.00 -0.09 0.02 0.00 0.00 177.57 178.56 2j9d h ARG 103 N 1.09 0.06 0.00 1.57 2.43 -1.98 -3.35 114.38 114.20 2j9d h ARG 103 Ca 0.35 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2j9d h ARG 103 Cb 0.02 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2j9d h ARG 103 CO -0.12 0.38 -1.71 0.25 -1.51 0.00 0.00 179.97 177.26 2j9d n THR 104 N -4.88 0.00 -1.58 0.20 -2.24 -1.20 -4.97 114.28 99.60 2j9d n THR 104 Ca -0.07 -0.37 -0.17 0.00 -2.27 0.00 0.00 64.05 61.16 2j9d n THR 104 Cb 0.19 0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.60 2j9d n THR 104 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2j9d n LYS 105 N -2.05 -1.21 -1.82 -0.78 5.02 0.36 -5.01 118.16 112.69 2j9d n LYS 105 Ca -0.02 1.08 -0.39 0.00 -2.02 0.00 0.00 58.31 56.96 2j9d n LYS 105 Cb 0.48 -5.32 0.03 0.00 -0.02 0.00 0.00 35.03 30.20 2j9d n LYS 105 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2j9d s GLU 106 N -3.59 3.29 0.18 1.97 2.02 -1.25 -4.77 118.70 116.55 2j9d s GLU 106 Ca 0.00 2.24 0.09 0.00 0.02 0.00 0.00 54.97 57.32 2j9d s GLU 106 Cb 0.00 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 2j9d s GLU 106 CO 0.00 -1.07 -0.18 -1.21 0.02 0.00 0.00 175.26 172.82 2j9d s GLU 107 N -2.80 1.33 5.03 1.61 2.02 -1.26 -0.94 118.70 123.69 2j9d s GLU 107 Ca 0.69 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 54.20 2j9d s GLU 107 Cb -0.40 -1.36 0.00 0.00 0.10 0.00 0.00 34.13 32.47 2j9d s GLU 107 CO 0.49 0.27 0.00 0.41 0.02 0.00 0.00 175.26 176.44 2j9d n GLY 108 N 0.08 1.77 0.31 -1.39 0.00 -0.73 -3.33 105.19 101.90 2j9d n GLY 108 Ca -0.11 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.31 2j9d n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j9d h LYS 109 N 0.00 -0.00 -0.65 1.61 1.57 -1.94 -1.11 116.57 116.04 2j9d h LYS 109 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2j9d h LYS 109 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 2j9d h LYS 109 CO 0.00 -0.00 0.33 0.93 -0.57 0.00 0.00 179.45 180.13 2j9d h GLU 110 N -0.00 0.57 -0.14 3.15 5.08 -1.94 -2.22 114.58 119.06 2j9d h GLU 110 Ca 0.39 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 2j9d h GLU 110 Cb 0.60 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2j9d h GLU 110 CO -0.85 0.37 -0.13 0.00 -1.00 0.00 0.00 179.01 177.40 2j9d h ALA 111 N 1.38 1.52 0.00 3.43 0.00 -1.29 -3.17 119.26 121.12 2j9d h ALA 111 Ca 0.31 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2j9d h ALA 111 Cb 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2j9d h ALA 111 CO -0.23 0.35 -0.72 -0.07 0.00 0.00 0.00 179.25 178.57 2j9d h LEU 112 N 0.22 0.00 0.00 0.00 3.38 -0.79 -3.43 115.31 114.69 2j9d h LEU 112 Ca 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 2j9d h LEU 112 Cb 0.37 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.21 2j9d h LEU 112 CO 0.02 0.72 0.11 0.18 0.09 0.00 0.00 178.44 179.56 2j9d n LEU 113 N -3.47 0.00 0.00 1.67 4.77 -1.09 -5.00 117.00 113.87 2j9d n LEU 113 Ca 0.00 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 2j9d n LEU 113 Cb 0.76 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2j9d n LEU 113 CO 0.43 -1.31 0.00 -1.84 -1.33 0.00 0.00 177.39 173.34