#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9s n PRO 2 N 0.00 0.19 0.00 1.61 -0.04 -1.26 -4.87 135.00 130.64 2i9s n PRO 2 Ca 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2i9s n PRO 2 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2i9s n PRO 2 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i9s n GLY 3 N 1.41 4.34 3.36 0.55 0.00 -1.26 -5.08 105.19 108.51 2i9s n GLY 3 Ca 0.10 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 2i9s n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i9s s LYS 4 N 0.00 3.37 0.78 1.61 -2.85 -1.26 -5.12 119.74 116.27 2i9s s LYS 4 Ca 0.00 -0.69 -0.12 0.00 -1.00 0.00 0.00 55.97 54.16 2i9s s LYS 4 Cb 0.00 -2.63 0.06 0.00 -2.06 0.00 0.00 37.83 33.20 2i9s s LYS 4 CO 0.00 0.20 1.10 -2.14 0.10 0.00 0.00 175.35 174.62 2i9s s PRO 5 N 0.37 2.23 -0.06 1.78 0.02 -1.26 -3.97 135.00 134.12 2i9s s PRO 5 Ca -0.11 0.55 0.00 0.00 0.02 0.00 0.00 61.00 61.47 2i9s s PRO 5 Cb -0.16 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.42 2i9s s PRO 5 CO 0.06 -1.50 0.00 0.39 -0.33 0.00 0.00 177.00 175.62 2i9s n GLU 6 N -3.33 -1.32 0.01 5.54 1.02 -1.26 -4.84 120.64 116.46 2i9s n GLU 6 Ca 0.07 0.36 -0.03 0.00 -0.02 0.00 0.00 57.16 57.54 2i9s n GLU 6 Cb 0.57 -4.36 0.21 0.00 -0.02 0.00 0.00 31.44 27.84 2i9s n GLU 6 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2i9s h SER 7 N 0.00 0.48 -0.06 1.62 4.64 -1.90 0.50 113.55 118.83 2i9s h SER 7 Ca -0.01 -0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.16 2i9s h SER 7 Cb 0.68 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2i9s h SER 7 CO 0.02 0.71 0.02 0.16 -0.87 0.00 0.00 176.83 176.86 2i9s h ILE 8 N 0.43 0.98 0.03 0.95 3.07 -1.89 -0.53 117.51 120.56 2i9s h ILE 8 Ca 0.07 -0.02 -0.24 0.00 1.55 0.00 0.00 64.86 66.22 2i9s h ILE 8 Cb 0.63 0.93 -0.03 0.00 -0.27 0.00 0.00 36.82 38.09 2i9s h ILE 8 CO 0.04 0.01 -1.17 0.17 -1.05 0.00 0.00 178.15 176.15 2i9s h LEU 9 N 0.04 0.10 0.00 0.16 8.10 -1.76 -1.10 115.31 120.86 2i9s h LEU 9 Ca 0.03 -0.11 -0.05 0.00 0.11 0.00 0.00 57.88 57.85 2i9s h LEU 9 Cb 0.02 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.20 2i9s h LEU 9 CO -0.03 1.09 -0.81 0.11 -4.11 0.00 0.00 178.44 174.69 2i9s h LYS 10 N 0.02 0.00 0.00 0.17 1.57 -0.84 -0.09 116.57 117.40 2i9s h LYS 10 Ca -0.08 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.32 2i9s h LYS 10 Cb 1.85 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 34.10 2i9s h LYS 10 CO 0.14 0.13 -2.42 -0.12 -0.57 0.00 0.00 179.45 176.61 2i9s n MET 11 N -2.89 0.67 -0.10 3.15 1.56 -0.21 -4.73 117.12 114.57 2i9s n MET 11 Ca -0.01 0.10 -0.21 0.00 -0.27 0.00 0.00 57.70 57.31 2i9s n MET 11 Cb 0.63 -1.53 -0.11 0.00 2.15 0.00 0.00 33.22 34.36 2i9s n MET 11 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 2i9s h THR 12 N 0.00 0.97 -0.67 1.12 2.02 -1.25 -3.49 112.91 111.62 2i9s h THR 12 Ca -0.56 -2.17 0.19 0.00 0.77 0.00 0.00 66.41 64.65 2i9s h THR 12 Cb 2.03 2.27 -0.22 0.00 -1.74 0.00 0.00 68.15 70.50 2i9s h THR 12 CO -0.04 0.33 0.09 -1.59 0.37 0.00 0.00 175.52 174.68 2i9s s LYS 13 N -2.34 0.29 0.45 6.66 0.00 -0.08 -5.03 119.74 119.69 2i9s s LYS 13 Ca -0.28 0.59 0.01 0.00 0.00 0.00 0.00 55.97 56.30 2i9s s LYS 13 Cb 0.05 0.34 0.09 0.00 0.00 0.00 0.00 37.83 38.30 2i9s s LYS 13 CO 0.59 -0.24 0.62 1.63 0.00 0.00 0.00 175.35 177.94 2i9s n LYS 14 N 5.31 0.29 0.00 1.78 5.02 -1.02 -4.41 118.16 125.14 2i9s n LYS 14 Ca -0.07 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.39 2i9s n LYS 14 Cb 0.53 -0.36 0.00 0.00 -0.02 0.00 0.00 35.03 35.18 2i9s n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i9s n GLY 15 N 0.11 1.19 3.67 0.72 0.00 0.12 -4.88 105.19 106.11 2i9s n GLY 15 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2i9s n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i9s s LYS 16 N 0.00 4.21 0.00 1.61 2.47 -1.26 -4.54 119.74 122.24 2i9s s LYS 16 Ca 0.00 2.10 -0.30 0.00 -1.56 0.00 0.00 55.97 56.21 2i9s s LYS 16 Cb 0.00 -3.81 -0.06 0.00 -1.46 0.00 0.00 37.83 32.49 2i9s s LYS 16 CO 0.00 -0.75 1.59 0.99 0.16 0.00 0.00 175.35 177.33 2i9s s THR 17 N 3.41 3.42 -0.15 3.43 2.01 -1.22 -3.72 115.64 122.82 2i9s s THR 17 Ca 0.69 0.73 0.01 0.00 0.31 0.00 0.00 61.69 63.43 2i9s s THR 17 Cb -0.33 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 68.73 2i9s s THR 17 CO 0.28 -0.03 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.79 2i9s s LEU 18 N 3.11 1.87 -0.12 4.42 1.98 -0.19 -5.00 118.68 124.74 2i9s s LEU 18 Ca 0.71 -0.54 -0.02 0.00 -2.89 0.00 0.00 54.13 51.39 2i9s s LEU 18 Cb -0.35 -1.29 -0.03 0.00 0.66 0.00 0.00 46.19 45.18 2i9s s LEU 18 CO 0.30 -0.02 -0.04 0.00 -1.89 0.00 0.00 176.35 174.70 2i9s s MET 19 N 1.29 3.36 -0.25 1.98 0.23 -1.26 -1.56 119.30 123.10 2i9s s MET 19 Ca 0.02 -0.51 -0.06 0.00 -1.03 0.00 0.00 55.69 54.12 2i9s s MET 19 Cb -0.13 -2.82 -0.01 0.00 -1.53 0.00 0.00 34.83 30.33 2i9s s MET 19 CO -0.09 0.41 0.03 -1.64 -2.03 0.00 0.00 175.02 171.69 2i9s s MET 20 N -0.09 3.43 -0.19 3.16 -1.94 -0.57 -1.50 119.30 121.60 2i9s s MET 20 Ca 0.02 -0.61 -0.07 0.00 -1.71 0.00 0.00 55.69 53.31 2i9s s MET 20 Cb -0.13 -3.21 -0.04 0.00 2.01 0.00 0.00 34.83 33.46 2i9s s MET 20 CO 0.03 -0.24 0.06 -0.59 -0.01 0.00 0.00 175.02 174.26 2i9s s PHE 21 N 1.54 3.23 -0.13 -0.03 -0.12 -0.11 -1.36 117.98 121.00 2i9s s PHE 21 Ca 0.05 0.02 0.02 0.00 -0.05 0.00 0.00 56.93 56.97 2i9s s PHE 21 Cb -0.15 -2.10 0.01 0.00 -0.63 0.00 0.00 43.02 40.16 2i9s s PHE 21 CO 0.01 0.10 -0.17 0.54 -0.05 0.00 0.00 175.22 175.64 2i9s s VAL 22 N 0.52 1.69 -0.06 -2.49 0.11 0.91 -1.43 120.40 119.64 2i9s s VAL 22 Ca 0.03 -0.75 -0.30 0.00 -2.93 0.00 0.00 61.98 58.04 2i9s s VAL 22 Cb -0.13 -1.53 -0.03 0.00 -1.53 0.00 0.00 36.38 33.16 2i9s s VAL 22 CO 0.01 0.48 1.20 -0.89 -3.33 0.00 0.00 175.10 172.57 2i9s s THR 23 N 1.04 4.26 -0.10 5.04 2.01 0.14 -0.61 115.64 127.42 2i9s s THR 23 Ca -0.04 1.58 0.01 0.00 0.31 0.00 0.00 61.69 63.54 2i9s s THR 23 Cb -0.15 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.37 2i9s s THR 23 CO -0.04 -0.01 -0.11 0.54 -0.69 0.00 0.00 174.62 174.32 2i9s s VAL 24 N 2.30 1.15 0.00 3.82 0.11 0.10 -0.50 120.40 127.38 2i9s s VAL 24 Ca 0.56 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2i9s s VAL 24 Cb -0.24 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 33.50 2i9s s VAL 24 CO 0.21 0.38 0.00 -0.24 -3.33 0.00 0.00 175.10 172.12 2i9s n SER 25 N 4.43 0.00 0.00 3.54 2.88 -1.26 -4.13 113.62 119.08 2i9s n SER 25 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2i9s n SER 25 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2i9s n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2i9s n GLY 26 N 0.00 1.39 3.14 0.46 0.00 -1.26 -4.95 105.19 103.97 2i9s n GLY 26 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2i9s n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i9s s ASN 27 N -2.00 4.61 0.00 1.61 2.20 -1.26 -4.95 114.94 115.15 2i9s s ASN 27 Ca 0.00 -1.23 0.00 0.00 -0.94 0.00 0.00 52.86 50.69 2i9s s ASN 27 Cb 0.00 -1.65 0.00 0.00 -2.00 0.00 0.00 41.25 37.60 2i9s s ASN 27 CO 0.00 -0.21 1.22 -2.65 -2.94 0.00 0.00 177.10 172.52 2i9s n PRO 28 N 4.57 0.71 -1.53 3.55 -0.02 -1.26 -2.89 135.00 138.13 2i9s n PRO 28 Ca -0.14 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.05 2i9s n PRO 28 Cb 0.44 -1.15 -0.06 0.00 -0.02 0.00 0.00 33.50 32.71 2i9s n PRO 28 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2i9s n THR 29 N 1.36 3.76 -1.42 3.45 -1.04 -1.26 -3.90 114.28 115.23 2i9s n THR 29 Ca 0.00 -3.07 -0.14 0.00 -2.04 0.00 0.00 64.05 58.80 2i9s n THR 29 Cb 0.35 -1.80 -0.06 0.00 -1.82 0.00 0.00 70.33 67.00 2i9s n THR 29 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2i9s n GLU 30 N 1.41 -1.02 -1.48 -2.82 4.07 -1.26 -4.49 120.64 115.05 2i9s n GLU 30 Ca 0.52 1.01 0.00 0.00 -0.06 0.00 0.00 57.16 58.63 2i9s n GLU 30 Cb 0.52 -5.13 0.00 0.00 -0.06 0.00 0.00 31.44 26.77 2i9s n GLU 30 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2i9s n LYS 31 N -2.56 -4.09 0.01 5.31 0.00 -1.25 -1.76 118.16 113.83 2i9s n LYS 31 Ca -0.14 3.11 0.06 0.00 -0.00 0.00 0.00 58.31 61.33 2i9s n LYS 31 Cb 0.48 -3.67 0.25 0.00 -0.00 0.00 0.00 35.03 32.08 2i9s n LYS 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2i9s n GLU 32 N -1.67 0.02 0.01 -1.58 0.00 -1.14 0.24 120.64 116.52 2i9s n GLU 32 Ca 0.00 0.34 -0.06 0.00 0.00 0.00 0.00 57.16 57.44 2i9s n GLU 32 Cb 0.21 -1.54 0.14 0.00 0.00 0.00 0.00 31.44 30.25 2i9s n GLU 32 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2i9s h THR 33 N 0.00 1.30 -0.10 3.84 2.02 -1.86 0.52 112.91 118.63 2i9s h THR 33 Ca 0.00 -1.53 -0.22 0.00 0.77 0.00 0.00 66.41 65.43 2i9s h THR 33 Cb 0.18 1.56 0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2i9s h THR 33 CO 0.00 0.48 -0.80 1.05 0.37 0.00 0.00 175.52 176.62 2i9s h GLU 34 N 0.41 0.72 0.63 6.66 4.11 0.63 0.46 114.58 128.21 2i9s h GLU 34 Ca 0.04 -0.64 -0.03 0.00 0.07 0.00 0.00 59.36 58.80 2i9s h GLU 34 Cb 0.86 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2i9s h GLU 34 CO 0.07 1.24 -0.33 1.49 0.07 0.00 0.00 179.01 181.55 2i9s h GLU 35 N 0.41 -0.86 0.00 1.06 4.57 -1.12 -1.62 114.58 117.02 2i9s h GLU 35 Ca -0.07 0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 2i9s h GLU 35 Cb 1.44 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 30.22 2i9s h GLU 35 CO 0.16 -0.57 -0.27 0.82 -1.18 0.00 0.00 179.01 177.97 2i9s h ILE 36 N -0.89 0.71 -0.10 2.32 2.04 -0.05 -1.94 117.51 119.60 2i9s h ILE 36 Ca -0.08 -1.16 -0.19 0.00 1.00 0.00 0.00 64.86 64.42 2i9s h ILE 36 Cb 0.70 1.74 0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2i9s h ILE 36 CO 0.12 0.26 -0.69 0.71 0.00 0.00 0.00 178.15 178.56 2i9s h THR 37 N 0.00 1.33 0.16 -0.27 1.35 0.51 0.72 112.91 116.71 2i9s h THR 37 Ca -0.00 -1.96 -0.01 0.00 -0.55 0.00 0.00 66.41 63.89 2i9s h THR 37 Cb 0.72 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 2i9s h THR 37 CO 0.03 0.60 -0.08 0.28 -0.25 0.00 0.00 175.52 176.11 2i9s h SER 38 N 0.28 -0.19 -0.01 5.36 0.02 -1.22 0.33 113.55 118.13 2i9s h SER 38 Ca -0.06 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2i9s h SER 38 Cb 1.33 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.92 2i9s h SER 38 CO 0.14 -0.12 -0.02 0.25 -1.14 0.00 0.00 176.83 175.93 2i9s h LEU 39 N -0.23 0.03 0.11 5.07 5.85 -1.30 -1.21 115.31 123.63 2i9s h LEU 39 Ca -0.02 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 58.08 2i9s h LEU 39 Cb 0.18 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2i9s h LEU 39 CO 0.04 0.64 -0.05 -0.50 -0.34 0.00 0.00 178.44 178.22 2i9s h TRP 40 N -0.58 -0.14 0.00 1.25 6.55 0.44 -1.69 115.95 121.78 2i9s h TRP 40 Ca -0.00 -0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.83 2i9s h TRP 40 Cb 0.64 0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 28.98 2i9s h TRP 40 CO 0.14 -0.09 -0.02 -0.56 -1.05 0.00 0.00 178.44 176.87 2i9s h GLN 41 N -0.24 0.00 0.32 0.49 -0.00 -0.42 0.69 115.11 115.95 2i9s h GLN 41 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 2i9s h GLN 41 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.60 2i9s h GLN 41 CO 0.02 0.02 -0.15 0.78 -0.00 0.00 0.00 178.83 179.50 2i9s h GLY 42 N 1.96 -0.45 2.00 0.06 0.00 -0.12 -1.00 103.07 105.52 2i9s h GLY 42 Ca -0.00 0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 2i9s h GLY 42 CO 0.00 -0.16 -0.48 1.48 0.00 0.00 0.00 176.54 177.38 2i9s h SER 43 N -0.50 0.00 -0.52 0.19 4.64 -0.05 1.00 113.55 118.31 2i9s h SER 43 Ca -0.04 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2i9s h SER 43 Cb 0.37 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 2i9s h SER 43 CO 0.07 0.48 0.35 -0.07 -0.87 0.00 0.00 176.83 176.79 2i9s h LEU 44 N 0.00 0.57 0.00 5.97 3.38 0.51 0.14 115.31 125.89 2i9s h LEU 44 Ca -0.00 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.73 2i9s h LEU 44 Cb 0.86 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 2i9s h LEU 44 CO 0.06 0.41 -1.60 0.33 0.09 0.00 0.00 178.44 177.74 2i9s n PHE 45 N -4.46 0.90 -0.02 1.13 7.35 -0.40 -2.82 117.46 119.15 2i9s n PHE 45 Ca 0.05 0.31 -0.01 0.00 -0.76 0.00 0.00 57.45 57.04 2i9s n PHE 45 Cb 0.08 -1.10 0.26 0.00 0.35 0.00 0.00 39.48 39.06 2i9s n PHE 45 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 2i9s h ASN 46 N 0.00 0.53 -0.04 -2.13 -1.24 0.18 -0.79 115.58 112.09 2i9s h ASN 46 Ca -0.23 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.66 2i9s h ASN 46 Cb 1.76 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.67 2i9s h ASN 46 CO 0.05 0.64 0.00 0.00 -1.29 0.00 0.00 177.43 176.83 2i9s n ALA 47 N -2.48 2.55 -3.58 1.57 0.00 -0.06 -4.97 120.51 113.55 2i9s n ALA 47 Ca 0.01 -0.49 -0.25 0.00 0.00 0.00 0.00 53.44 52.71 2i9s n ALA 47 Cb 0.28 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.67 2i9s n ALA 47 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2i9s n ASN 48 N 0.34 -4.74 0.00 0.00 5.15 -0.30 -4.93 115.26 110.79 2i9s n ASN 48 Ca 0.18 -0.90 0.11 0.00 -0.60 0.00 0.00 54.58 53.37 2i9s n ASN 48 Cb 0.38 -3.98 0.65 0.00 -0.53 0.00 0.00 39.78 36.31 2i9s n ASN 48 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2i9s n TYR 49 N -3.96 0.00 -2.94 1.20 4.01 -1.13 -4.96 117.16 109.39 2i9s n TYR 49 Ca -0.13 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.58 2i9s n TYR 49 Cb 0.62 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.65 2i9s n TYR 49 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2i9s n ASP 50 N -1.01 -6.99 -3.61 7.72 2.03 -1.26 -4.87 116.55 108.56 2i9s n ASP 50 Ca 0.16 -0.19 -0.13 0.00 0.52 0.00 0.00 54.79 55.15 2i9s n ASP 50 Cb 0.08 -4.85 -0.06 0.00 -0.72 0.00 0.00 41.12 35.58 2i9s n ASP 50 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2i9s s VAL 51 N -3.08 0.00 -0.05 5.18 -7.23 -1.26 -4.00 120.40 109.97 2i9s s VAL 51 Ca 0.09 -1.63 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 2i9s s VAL 51 Cb -0.01 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.45 2i9s s VAL 51 CO 0.67 0.00 -0.09 -1.10 -0.31 0.00 0.00 175.10 174.27 2i9s s GLN 52 N -3.51 1.21 -0.06 4.82 1.11 -0.46 -4.99 119.66 117.77 2i9s s GLN 52 Ca 0.30 -0.29 0.02 0.00 0.01 0.00 0.00 55.36 55.41 2i9s s GLN 52 Cb 0.01 -1.08 0.01 0.00 -1.01 0.00 0.00 33.01 30.95 2i9s s GLN 52 CO 0.16 0.02 -0.11 1.03 0.01 0.00 0.00 175.29 176.41 2i9s s ARG 53 N 0.59 1.54 0.07 2.91 3.00 -1.26 0.16 118.95 125.97 2i9s s ARG 53 Ca -0.10 -0.36 0.03 0.00 0.00 0.00 0.00 55.73 55.30 2i9s s ARG 53 Cb -0.13 -1.31 -0.03 0.00 0.00 0.00 0.00 34.95 33.48 2i9s s ARG 53 CO 0.02 0.01 -0.10 0.12 0.00 0.00 0.00 175.30 175.34 2i9s s PHE 54 N 0.72 0.92 -0.51 -0.53 5.36 -0.74 -4.91 117.98 118.30 2i9s s PHE 54 Ca -0.14 -0.57 -0.23 0.00 -0.96 0.00 0.00 56.93 55.03 2i9s s PHE 54 Cb -0.16 -0.53 0.04 0.00 -0.34 0.00 0.00 43.02 42.04 2i9s s PHE 54 CO 0.03 -0.03 0.84 0.42 -1.46 0.00 0.00 175.22 175.02 2i9s s ILE 55 N -1.85 4.55 -0.01 3.12 1.01 -1.26 -0.41 121.20 126.35 2i9s s ILE 55 Ca -0.02 0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.70 2i9s s ILE 55 Cb -0.07 -4.43 -0.34 0.00 0.01 0.00 0.00 42.46 37.64 2i9s s ILE 55 CO 0.00 -0.92 0.89 0.58 0.00 0.00 0.00 174.94 175.49 2i9s h VAL 56 N 5.99 1.23 0.00 2.92 2.07 -1.67 -3.50 116.25 123.29 2i9s h VAL 56 Ca -0.26 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.65 2i9s h VAL 56 Cb 1.08 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.85 2i9s h VAL 56 CO 1.02 0.80 0.00 0.61 0.02 0.00 0.00 177.57 180.02 2i9s n GLY 57 N 1.74 -1.40 3.65 2.17 0.00 -0.54 -4.98 105.19 105.83 2i9s n GLY 57 Ca -0.19 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 2i9s n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i9s s SER 58 N -3.47 6.34 0.00 1.61 0.01 -1.26 -0.87 113.70 116.06 2i9s s SER 58 Ca 0.00 2.42 0.00 0.00 1.31 0.00 0.00 55.95 59.68 2i9s s SER 58 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2i9s s SER 58 CO 0.00 -1.18 0.00 -0.67 0.41 0.00 0.00 173.24 171.80 2i9s n ASP 59 N 8.13 -2.87 -3.71 2.44 2.03 -1.25 -4.81 116.55 116.51 2i9s n ASP 59 Ca 0.21 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.28 2i9s n ASP 59 Cb 0.42 -0.48 -0.17 0.00 -0.72 0.00 0.00 41.12 40.17 2i9s n ASP 59 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2i9s s ARG 60 N -0.26 0.37 0.27 -0.67 3.00 -0.05 0.02 118.95 121.62 2i9s s ARG 60 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 55.73 55.83 2i9s s ARG 60 Cb 0.00 -1.27 -0.05 0.00 0.00 0.00 0.00 34.95 33.63 2i9s s ARG 60 CO 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 175.30 174.75 2i9s s ALA 61 N 2.02 2.38 0.05 2.13 0.00 0.22 -1.47 121.76 127.09 2i9s s ALA 61 Ca 0.03 -1.86 -0.01 0.00 0.00 0.00 0.00 51.96 50.12 2i9s s ALA 61 Cb -0.14 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2i9s s ALA 61 CO -0.06 0.02 -0.03 0.96 0.00 0.00 0.00 175.76 176.64 2i9s s ILE 62 N -2.90 0.25 -0.25 0.00 -4.36 0.45 -0.06 121.20 114.33 2i9s s ILE 62 Ca 0.28 -1.65 -0.00 0.00 -0.26 0.00 0.00 60.65 59.02 2i9s s ILE 62 Cb 0.02 -1.30 0.07 0.00 1.25 0.00 0.00 42.46 42.50 2i9s s ILE 62 CO 0.12 -0.89 0.02 0.72 0.24 0.00 0.00 174.94 175.14 2i9s s PHE 63 N -3.42 1.98 -0.31 1.37 -0.71 -0.46 -1.78 117.98 114.64 2i9s s PHE 63 Ca 0.03 -1.62 -0.16 0.00 -1.04 0.00 0.00 56.93 54.14 2i9s s PHE 63 Cb 0.04 -1.58 -0.02 0.00 -1.21 0.00 0.00 43.02 40.26 2i9s s PHE 63 CO -0.08 -0.77 0.43 1.41 -1.34 0.00 0.00 175.22 174.88 2i9s s MET 64 N 1.53 3.77 0.07 1.99 1.75 0.12 -1.51 119.30 127.03 2i9s s MET 64 Ca 0.01 -0.11 0.07 0.00 -1.25 0.00 0.00 55.69 54.40 2i9s s MET 64 Cb -0.18 -3.75 -0.04 0.00 2.84 0.00 0.00 34.83 33.71 2i9s s MET 64 CO -0.11 -0.48 -0.14 -0.48 -0.65 0.00 0.00 175.02 173.16 2i9s s LEU 65 N 2.20 2.86 -0.09 4.11 -0.00 -0.60 -1.36 118.68 125.80 2i9s s LEU 65 Ca 0.16 -0.40 -0.10 0.00 -0.00 0.00 0.00 54.13 53.79 2i9s s LEU 65 Cb -0.16 -1.67 -0.03 0.00 -0.00 0.00 0.00 46.19 44.32 2i9s s LEU 65 CO 0.11 0.22 -0.20 -1.14 -0.00 0.00 0.00 176.35 175.34 2i9s n ARG 66 N 1.09 0.30 0.00 1.48 0.63 -1.26 -1.02 116.66 117.89 2i9s n ARG 66 Ca -0.15 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 2i9s n ARG 66 Cb 0.52 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.43 2i9s n ARG 66 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2i9s n ASP 67 N -3.79 0.00 -0.94 6.15 2.03 -1.26 -3.42 116.55 115.32 2i9s n ASP 67 Ca -0.08 0.32 -0.12 0.00 0.52 0.00 0.00 54.79 55.43 2i9s n ASP 67 Cb 0.30 -0.32 -0.05 0.00 -0.72 0.00 0.00 41.12 40.32 2i9s n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2i9s n GLY 68 N -1.30 1.13 0.49 0.27 0.00 -1.24 0.11 105.19 104.64 2i9s n GLY 68 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2i9s n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2i9s n SER 69 N -1.06 2.73 0.00 1.61 3.41 -1.26 -4.35 113.62 114.71 2i9s n SER 69 Ca -0.12 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.25 2i9s n SER 69 Cb 0.58 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2i9s n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i9s n TYR 70 N -1.10 0.00 0.00 7.33 4.11 -1.26 -5.03 117.16 121.21 2i9s n TYR 70 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.10 2i9s n TYR 70 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.10 2i9s n TYR 70 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2i9s n ALA 71 N -0.11 0.00 0.43 -3.48 0.00 -1.26 -4.90 120.51 111.20 2i9s n ALA 71 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2i9s n ALA 71 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 2i9s n ALA 71 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2i9s h TRP 72 N 0.00 0.00 -0.32 0.00 6.55 -1.97 -1.42 115.95 118.79 2i9s h TRP 72 Ca 0.00 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.73 2i9s h TRP 72 Cb 0.00 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.29 2i9s h TRP 72 CO 0.00 0.00 -0.26 0.93 -1.05 0.00 0.00 178.44 178.06 2i9s h GLU 73 N 0.00 0.65 -0.30 0.49 3.07 -1.97 -1.69 114.58 114.83 2i9s h GLU 73 Ca 0.00 -0.27 0.06 0.00 -0.50 0.00 0.00 59.36 58.65 2i9s h GLU 73 Cb 0.82 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.65 2i9s h GLU 73 CO 0.00 0.85 -0.08 0.82 -1.40 0.00 0.00 179.01 179.20 2i9s h ILE 74 N 0.57 0.69 -0.48 3.13 2.04 -1.78 -1.41 117.51 120.26 2i9s h ILE 74 Ca 0.08 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 2i9s h ILE 74 Cb 0.74 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2i9s h ILE 74 CO 0.06 0.00 0.12 0.07 0.00 0.00 0.00 178.15 178.40 2i9s h LYS 75 N -0.01 0.73 -0.37 2.37 5.09 -0.94 -0.65 116.57 122.78 2i9s h LYS 75 Ca 0.14 -0.14 0.03 0.00 0.09 0.00 0.00 60.65 60.78 2i9s h LYS 75 Cb 0.23 -0.12 -0.03 0.00 0.10 0.00 0.00 32.23 32.41 2i9s h LYS 75 CO -0.31 0.66 0.17 0.22 -2.09 0.00 0.00 179.45 178.10 2i9s h ASP 76 N 0.71 0.24 0.81 7.07 3.58 -0.82 -1.59 116.42 126.43 2i9s h ASP 76 Ca 0.16 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 2i9s h ASP 76 Cb 0.26 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 2i9s h ASP 76 CO -0.00 0.18 -0.49 -0.26 -2.88 0.00 0.00 179.24 175.79 2i9s h PHE 77 N 0.36 -1.29 -0.73 0.28 0.04 -0.06 -0.51 116.94 115.02 2i9s h PHE 77 Ca 0.16 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.89 2i9s h PHE 77 Cb 0.09 0.46 -0.03 0.00 2.20 0.00 0.00 35.95 38.66 2i9s h PHE 77 CO -0.11 -0.73 0.34 1.37 -0.60 0.00 0.00 178.31 178.58 2i9s h LEU 78 N -1.21 0.95 -0.00 1.54 8.10 -1.37 0.73 115.31 124.04 2i9s h LEU 78 Ca -0.11 -0.11 0.00 0.00 0.11 0.00 0.00 57.88 57.77 2i9s h LEU 78 Cb 0.97 -0.24 0.00 0.00 -0.44 0.00 0.00 40.66 40.94 2i9s h LEU 78 CO 0.12 0.81 -0.00 1.33 -4.11 0.00 0.00 178.44 176.59 2i9s n VAL 79 N -4.32 0.00 0.39 0.15 0.24 -0.60 -1.07 118.33 113.12 2i9s n VAL 79 Ca 0.07 -0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.45 2i9s n VAL 79 Cb 0.14 -0.49 0.12 0.00 -1.47 0.00 0.00 33.84 32.15 2i9s n VAL 79 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2i9s n SER 80 N -1.49 2.75 -0.09 -1.34 7.64 -0.21 -4.44 113.62 116.45 2i9s n SER 80 Ca 0.07 -1.81 -0.16 0.00 1.01 0.00 0.00 58.87 57.99 2i9s n SER 80 Cb 0.33 -0.12 -0.07 0.00 -1.01 0.00 0.00 64.21 63.35 2i9s n SER 80 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2i9s n GLN 81 N 0.99 0.39 -0.16 1.43 7.27 0.24 -5.02 117.38 122.52 2i9s n GLN 81 Ca 0.13 0.14 0.00 0.00 0.07 0.00 0.00 57.00 57.33 2i9s n GLN 81 Cb 0.46 -1.21 0.00 0.00 2.41 0.00 0.00 30.24 31.90 2i9s n GLN 81 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2i9s n ASP 82 N -3.47 1.92 -4.87 1.69 -0.08 -0.23 -5.05 116.55 106.46 2i9s n ASP 82 Ca -0.33 -0.08 -0.31 0.00 -1.51 0.00 0.00 54.79 52.57 2i9s n ASP 82 Cb 0.77 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.24 2i9s n ASP 82 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2i9s s ARG 83 N 0.76 3.62 0.02 -0.67 1.81 -1.26 -4.62 118.95 118.61 2i9s s ARG 83 Ca 0.00 0.74 0.02 0.00 -1.72 0.00 0.00 55.73 54.76 2i9s s ARG 83 Cb 0.00 -2.10 -0.02 0.00 -0.45 0.00 0.00 34.95 32.39 2i9s s ARG 83 CO 0.00 -0.54 -0.06 0.00 -0.68 0.00 0.00 175.30 174.02 2i9s n ALA 85 N 2.06 1.31 -3.61 0.00 0.00 -1.24 -4.35 120.51 114.68 2i9s n ALA 85 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 2i9s n ALA 85 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 2i9s n ALA 85 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2i9s s GLU 86 N -2.00 0.38 -0.39 0.00 2.12 0.34 -4.98 118.70 114.17 2i9s s GLU 86 Ca 0.00 1.07 -0.03 0.00 0.36 0.00 0.00 54.97 56.37 2i9s s GLU 86 Cb 0.00 0.37 0.10 0.00 0.26 0.00 0.00 34.13 34.86 2i9s s GLU 86 CO 0.00 -0.29 0.17 0.08 -0.54 0.00 0.00 175.26 174.69 2i9s s VAL 87 N 2.67 3.27 -0.14 3.70 1.01 -1.26 0.24 120.40 129.89 2i9s s VAL 87 Ca -0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.02 2i9s s VAL 87 Cb -0.12 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2i9s s VAL 87 CO -0.14 -0.59 -0.03 0.42 0.00 0.00 0.00 175.10 174.75 2i9s s THR 88 N 1.17 3.98 0.40 3.92 -4.23 -0.52 -5.00 115.64 115.37 2i9s s THR 88 Ca 0.06 -0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 60.16 2i9s s THR 88 Cb -0.22 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 70.85 2i9s s THR 88 CO -0.03 0.52 0.72 -0.76 -0.54 0.00 0.00 174.62 174.52 2i9s s LEU 89 N 0.03 3.82 0.52 4.79 1.02 -1.26 -0.93 118.68 126.66 2i9s s LEU 89 Ca 0.01 0.94 -0.15 0.00 0.02 0.00 0.00 54.13 54.95 2i9s s LEU 89 Cb -0.13 -3.83 -0.07 0.00 0.02 0.00 0.00 46.19 42.18 2i9s s LEU 89 CO 0.03 -0.41 0.96 -0.70 0.02 0.00 0.00 176.35 176.25 2i9s s GLU 90 N -4.10 3.88 -0.60 1.70 2.56 -0.56 -4.22 118.70 117.36 2i9s s GLU 90 Ca 0.48 0.86 -0.01 0.00 0.00 0.00 0.00 54.97 56.30 2i9s s GLU 90 Cb -0.10 -2.16 -0.01 0.00 2.00 0.00 0.00 34.13 33.85 2i9s s GLU 90 CO 0.36 -0.28 0.50 0.41 -0.56 0.00 0.00 175.26 175.69 2i9s n GLY 91 N -1.71 -0.03 3.59 -1.50 0.00 -1.26 -4.86 105.19 99.42 2i9s n GLY 91 Ca 0.06 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2i9s n GLY 91 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2i9s s GLN 92 N -4.41 3.06 -0.01 1.61 0.00 -1.26 -4.36 119.66 114.30 2i9s s GLN 92 Ca 0.07 1.42 0.00 0.00 -0.00 0.00 0.00 55.36 56.86 2i9s s GLN 92 Cb -0.01 -4.30 0.01 0.00 0.00 0.00 0.00 33.01 28.71 2i9s s GLN 92 CO 0.38 -2.18 0.57 -1.33 0.00 0.00 0.00 175.29 172.73 2i9s n MET 93 N 8.67 0.04 -3.72 9.60 2.81 -1.26 -5.11 117.12 128.15 2i9s n MET 93 Ca 0.25 -0.55 -0.37 0.00 -1.81 0.00 0.00 57.70 55.22 2i9s n MET 93 Cb 0.48 0.49 -0.11 0.00 -0.71 0.00 0.00 33.22 33.37 2i9s n MET 93 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 2i9s s TYR 94 N 0.00 3.53 -0.37 2.03 -0.85 -1.26 -4.92 117.35 115.51 2i9s s TYR 94 Ca 0.00 -2.22 0.07 0.00 -0.52 0.00 0.00 57.07 54.40 2i9s s TYR 94 Cb 0.01 -3.24 0.60 0.00 0.38 0.00 0.00 41.96 39.72 2i9s s TYR 94 CO -0.00 -0.97 1.66 -0.35 -1.52 0.00 0.00 175.55 174.37 2i9s n PRO 95 N 4.69 2.96 0.00 -3.49 -0.04 -1.26 -4.82 135.00 133.04 2i9s n PRO 95 Ca -0.04 -2.52 0.00 0.00 -0.04 0.00 0.00 63.50 60.90 2i9s n PRO 95 Cb 0.41 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 2i9s n PRO 95 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i9s n GLY 96 N -0.27 2.74 0.00 0.55 0.00 -1.26 -4.86 105.19 102.09 2i9s n GLY 96 Ca 0.38 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2i9s n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49