#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9s h PRO 2 N 0.00 0.00 0.00 1.61 0.11 -2.01 -1.00 132.00 130.71 2i9s h PRO 2 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 2i9s h PRO 2 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2i9s h PRO 2 CO 0.00 0.00 -0.27 0.78 -0.21 0.00 0.00 178.00 178.30 2i9s h GLY 3 N 0.00 0.00 -4.68 -0.55 0.00 -2.03 -3.43 103.07 92.38 2i9s h GLY 3 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 2i9s h GLY 3 CO 0.00 0.00 0.15 1.25 0.00 0.00 0.00 176.54 177.94 2i9s s LYS 4 N -3.78 4.48 -1.17 4.80 2.20 -0.38 -4.95 119.74 120.94 2i9s s LYS 4 Ca -0.01 1.02 -0.08 0.00 -0.36 0.00 0.00 55.97 56.55 2i9s s LYS 4 Cb 0.11 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.95 2i9s s LYS 4 CO 0.65 0.21 3.02 -0.35 -0.36 0.00 0.00 175.35 178.52 2i9s n PRO 5 N 3.13 3.40 0.07 4.03 -0.05 -1.26 -3.36 135.00 140.96 2i9s n PRO 5 Ca -0.02 -2.13 0.13 0.00 -0.05 0.00 0.00 63.50 61.43 2i9s n PRO 5 Cb 0.51 -2.57 0.40 0.00 -0.05 0.00 0.00 33.50 31.78 2i9s n PRO 5 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 2i9s n GLU 6 N 2.93 0.21 -1.05 0.54 1.02 -1.26 -5.03 120.64 118.00 2i9s n GLU 6 Ca 0.67 0.15 0.13 0.00 -0.02 0.00 0.00 57.16 58.09 2i9s n GLU 6 Cb 0.40 -1.72 -0.06 0.00 -0.02 0.00 0.00 31.44 30.04 2i9s n GLU 6 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2i9s n SER 7 N -2.07 -5.92 -0.13 1.62 7.64 -1.21 -1.40 113.62 112.15 2i9s n SER 7 Ca 0.05 0.95 0.26 0.00 1.01 0.00 0.00 58.87 61.15 2i9s n SER 7 Cb 0.41 -3.53 0.53 0.00 -1.01 0.00 0.00 64.21 60.61 2i9s n SER 7 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2i9s h ILE 8 N -1.02 0.10 0.06 0.44 3.07 -1.92 -1.05 117.51 117.18 2i9s h ILE 8 Ca -0.12 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.29 2i9s h ILE 8 Cb 1.00 0.19 0.00 0.00 -0.27 0.00 0.00 36.82 37.74 2i9s h ILE 8 CO 0.05 0.00 -0.03 0.17 -1.05 0.00 0.00 178.15 177.29 2i9s h LEU 9 N 0.00 -0.07 -0.15 0.16 -0.00 -1.86 -0.93 115.31 112.47 2i9s h LEU 9 Ca 0.41 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 2i9s h LEU 9 Cb 2.40 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 43.08 2i9s h LEU 9 CO -0.00 0.52 0.00 0.29 -0.00 0.00 0.00 178.44 179.24 2i9s n LYS 10 N -4.80 0.26 0.09 0.17 5.02 -0.49 -0.22 118.16 118.18 2i9s n LYS 10 Ca -0.03 0.26 -0.19 0.00 -2.02 0.00 0.00 58.31 56.33 2i9s n LYS 10 Cb 0.13 -1.83 -0.15 0.00 -0.02 0.00 0.00 35.03 33.16 2i9s n LYS 10 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2i9s h MET 11 N 0.00 0.33 0.00 1.97 4.05 -1.27 -3.44 114.93 116.58 2i9s h MET 11 Ca 0.00 -0.56 0.00 0.00 -0.28 0.00 0.00 59.70 58.86 2i9s h MET 11 Cb 0.67 0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 2i9s h MET 11 CO 0.00 1.23 -0.46 2.41 0.23 0.00 0.00 176.91 180.32 2i9s n THR 12 N -3.54 0.00 -3.39 -0.77 -1.04 -0.38 -4.99 114.28 100.18 2i9s n THR 12 Ca -0.16 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.40 2i9s n THR 12 Cb 1.06 -0.05 -0.05 0.00 -1.82 0.00 0.00 70.33 69.46 2i9s n THR 12 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2i9s s LYS 13 N -1.14 2.99 -0.04 -2.82 -0.14 0.69 -4.79 119.74 114.49 2i9s s LYS 13 Ca 0.00 -1.93 0.11 0.00 -1.36 0.00 0.00 55.97 52.79 2i9s s LYS 13 Cb 0.00 -4.22 -0.16 0.00 -1.68 0.00 0.00 37.83 31.77 2i9s s LYS 13 CO 0.00 -1.28 0.18 1.63 -0.76 0.00 0.00 175.35 175.12 2i9s n LYS 14 N 4.81 0.97 -2.79 1.68 5.02 -1.26 -3.44 118.16 123.14 2i9s n LYS 14 Ca -0.05 -0.07 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 2i9s n LYS 14 Cb 0.42 -1.27 0.06 0.00 -0.02 0.00 0.00 35.03 34.21 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 2.01 0.68 3.03 0.72 0.00 -1.24 -4.49 105.19 105.89 2i9s n GLY 15 Ca -0.07 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 0.19 1.27 -0.43 1.61 2.47 -1.16 -4.90 119.74 118.79 2i9s s LYS 16 Ca 0.27 -0.38 -0.25 0.00 -1.56 0.00 0.00 55.97 54.06 2i9s s LYS 16 Cb 0.27 -1.13 0.02 0.00 -1.46 0.00 0.00 37.83 35.53 2i9s s LYS 16 CO -0.13 0.11 0.89 0.99 0.16 0.00 0.00 175.35 177.37 2i9s s THR 17 N 0.31 4.54 -0.13 3.43 2.01 -1.25 -3.88 115.64 120.67 2i9s s THR 17 Ca -0.06 0.81 -0.01 0.00 0.31 0.00 0.00 61.69 62.73 2i9s s THR 17 Cb -0.11 -4.38 0.04 0.00 0.01 0.00 0.00 72.50 68.06 2i9s s THR 17 CO 0.01 -0.72 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.00 2i9s s LEU 18 N 3.57 1.05 -0.63 4.42 2.96 -0.30 -4.98 118.68 124.77 2i9s s LEU 18 Ca 0.36 -0.45 -0.26 0.00 -0.22 0.00 0.00 54.13 53.56 2i9s s LEU 18 Cb -0.11 -0.63 0.04 0.00 0.50 0.00 0.00 46.19 45.99 2i9s s LEU 18 CO 0.23 -0.22 1.09 0.00 -1.32 0.00 0.00 176.35 176.14 2i9s s MET 19 N 1.84 3.29 -0.12 1.98 0.23 -1.26 -1.49 119.30 123.76 2i9s s MET 19 Ca 0.02 -0.26 -0.25 0.00 -1.03 0.00 0.00 55.69 54.17 2i9s s MET 19 Cb -0.14 -4.11 -0.02 0.00 -1.53 0.00 0.00 34.83 29.02 2i9s s MET 19 CO -0.07 -1.78 0.81 -1.64 -2.03 0.00 0.00 175.02 170.31 2i9s s MET 20 N 4.68 4.36 -0.29 3.16 -1.94 -0.43 -4.85 119.30 124.00 2i9s s MET 20 Ca 0.33 1.02 -0.06 0.00 -1.71 0.00 0.00 55.69 55.26 2i9s s MET 20 Cb -0.11 -3.53 0.01 0.00 2.01 0.00 0.00 34.83 33.21 2i9s s MET 20 CO 0.18 -0.19 0.07 0.12 -0.01 0.00 0.00 175.02 175.18 2i9s s PHE 21 N 1.66 3.14 -0.16 -0.03 2.19 -0.80 -1.60 117.98 122.38 2i9s s PHE 21 Ca 0.39 -1.01 -0.00 0.00 0.33 0.00 0.00 56.93 56.64 2i9s s PHE 21 Cb -0.17 -2.24 -0.01 0.00 -1.31 0.00 0.00 43.02 39.29 2i9s s PHE 21 CO 0.16 -0.58 -0.13 0.54 1.83 0.00 0.00 175.22 177.03 2i9s s VAL 22 N 1.49 2.85 -0.43 3.12 0.11 -0.55 -0.96 120.40 126.03 2i9s s VAL 22 Ca 0.02 -0.71 -0.21 0.00 -2.93 0.00 0.00 61.98 58.15 2i9s s VAL 22 Cb -0.17 -2.22 0.02 0.00 -1.53 0.00 0.00 36.38 32.49 2i9s s VAL 22 CO 0.02 0.50 0.68 -0.89 -3.33 0.00 0.00 175.10 172.08 2i9s s THR 23 N 0.82 4.79 -0.70 5.04 2.01 0.14 -1.58 115.64 126.16 2i9s s THR 23 Ca -0.05 0.25 -0.11 0.00 0.31 0.00 0.00 61.69 62.10 2i9s s THR 23 Cb -0.15 -4.22 0.18 0.00 0.01 0.00 0.00 72.50 68.32 2i9s s THR 23 CO 0.00 -0.59 0.61 -0.69 -0.69 0.00 0.00 174.62 173.26 2i9s s VAL 24 N 2.92 4.95 -0.71 3.82 1.01 0.19 -0.82 120.40 131.77 2i9s s VAL 24 Ca 0.25 -2.39 -0.19 0.00 0.00 0.00 0.00 61.98 59.65 2i9s s VAL 24 Cb -0.14 -4.12 0.12 0.00 0.00 0.00 0.00 36.38 32.24 2i9s s VAL 24 CO 0.19 -0.94 0.84 -0.44 0.00 0.00 0.00 175.10 174.75 2i9s s SER 25 N 2.05 6.36 0.00 3.32 0.01 -0.88 -4.47 113.70 120.09 2i9s s SER 25 Ca 0.14 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.73 2i9s s SER 25 Cb -0.17 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2i9s s SER 25 CO -0.05 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.13 2i9s n GLY 26 N 5.17 -0.39 3.11 3.44 0.00 -1.24 -4.70 105.19 110.58 2i9s n GLY 26 Ca 0.02 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2i9s n GLY 26 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2i9s s ASN 27 N -3.47 4.85 0.00 1.61 3.84 -1.26 -5.00 114.94 115.51 2i9s s ASN 27 Ca 0.00 -1.62 -0.01 0.00 0.21 0.00 0.00 52.86 51.45 2i9s s ASN 27 Cb 0.00 -1.69 -0.03 0.00 -0.55 0.00 0.00 41.25 38.99 2i9s s ASN 27 CO 0.00 -0.32 1.10 -2.65 -2.79 0.00 0.00 177.10 172.43 2i9s n PRO 28 N 4.51 0.53 -3.25 0.43 -0.02 -1.26 -4.42 135.00 131.52 2i9s n PRO 28 Ca -0.08 -0.10 -0.10 0.00 -2.02 0.00 0.00 63.50 61.19 2i9s n PRO 28 Cb 0.42 -1.39 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 2i9s n PRO 28 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2i9s n THR 29 N 2.03 0.00 1.28 3.45 -2.24 -1.26 -5.01 114.28 112.53 2i9s n THR 29 Ca 0.04 -1.28 0.03 0.00 -2.27 0.00 0.00 64.05 60.58 2i9s n THR 29 Cb 0.26 0.76 0.10 0.00 -2.10 0.00 0.00 70.33 69.34 2i9s n THR 29 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2i9s n GLU 30 N -0.40 1.52 0.09 -0.78 1.02 -1.26 -3.36 120.64 117.47 2i9s n GLU 30 Ca 0.01 -0.79 -0.13 0.00 -0.02 0.00 0.00 57.16 56.24 2i9s n GLU 30 Cb 0.40 -1.19 -0.08 0.00 -0.02 0.00 0.00 31.44 30.56 2i9s n GLU 30 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2i9s h LYS 31 N 1.27 0.28 -0.27 3.49 3.11 -1.95 -0.43 116.57 122.06 2i9s h LYS 31 Ca 0.00 -0.37 -0.17 0.00 -2.81 0.00 0.00 60.65 57.29 2i9s h LYS 31 Cb 0.31 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 2i9s h LYS 31 CO 0.00 1.11 -0.50 1.49 -2.81 0.00 0.00 179.45 178.74 2i9s h GLU 32 N 0.13 0.82 -0.22 1.90 4.22 -1.76 -0.99 114.58 118.66 2i9s h GLU 32 Ca -0.09 -0.52 0.06 0.00 0.08 0.00 0.00 59.36 58.89 2i9s h GLU 32 Cb 1.72 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.96 2i9s h GLU 32 CO 0.17 1.15 -0.36 1.15 -2.18 0.00 0.00 179.01 178.94 2i9s h THR 33 N 0.58 0.22 -0.32 0.32 2.02 -1.69 -0.70 112.91 113.33 2i9s h THR 33 Ca 0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 2i9s h THR 33 Cb 1.11 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2i9s h THR 33 CO 0.11 0.00 -0.08 1.05 0.37 0.00 0.00 175.52 176.97 2i9s h GLU 34 N -0.38 0.63 0.06 6.66 4.11 -0.98 0.50 114.58 125.18 2i9s h GLU 34 Ca 0.11 -0.24 0.01 0.00 0.07 0.00 0.00 59.36 59.31 2i9s h GLU 34 Cb 0.57 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 2i9s h GLU 34 CO -0.43 0.81 -0.40 1.49 0.07 0.00 0.00 179.01 180.55 2i9s h GLU 35 N 0.40 -0.53 -0.51 1.06 4.57 -0.87 -1.19 114.58 117.52 2i9s h GLU 35 Ca 0.08 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2i9s h GLU 35 Cb 0.58 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 2i9s h GLU 35 CO 0.03 -0.35 0.27 0.82 -1.18 0.00 0.00 179.01 178.61 2i9s h ILE 36 N -0.55 1.18 0.18 2.32 2.04 -1.15 -1.41 117.51 120.12 2i9s h ILE 36 Ca -0.00 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2i9s h ILE 36 Cb 0.56 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2i9s h ILE 36 CO -0.23 0.19 -0.08 0.71 0.00 0.00 0.00 178.15 178.73 2i9s h THR 37 N 0.67 0.94 0.59 -0.27 1.35 -0.59 -0.73 112.91 114.87 2i9s h THR 37 Ca 0.18 -0.81 -0.03 0.00 -0.55 0.00 0.00 66.41 65.20 2i9s h THR 37 Cb 0.06 1.41 0.01 0.00 -1.73 0.00 0.00 68.15 67.89 2i9s h THR 37 CO -0.03 0.18 -0.28 0.77 -0.25 0.00 0.00 175.52 175.91 2i9s h SER 38 N -0.65 -0.67 -0.03 5.36 4.64 -1.25 -0.60 113.55 120.35 2i9s h SER 38 Ca -0.02 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2i9s h SER 38 Cb 0.47 0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2i9s h SER 38 CO 0.04 -0.38 0.01 -0.07 -0.87 0.00 0.00 176.83 175.56 2i9s h LEU 39 N -0.93 0.04 -0.01 5.97 4.07 -1.35 -0.65 115.31 122.45 2i9s h LEU 39 Ca -0.08 -0.14 -0.07 0.00 0.08 0.00 0.00 57.88 57.67 2i9s h LEU 39 Cb 0.65 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.38 2i9s h LEU 39 CO 0.13 0.18 -0.27 -0.50 -1.08 0.00 0.00 178.44 176.90 2i9s h TRP 40 N -0.09 0.29 0.00 1.13 6.55 -1.17 -1.38 115.95 121.28 2i9s h TRP 40 Ca 0.01 -0.15 0.00 0.00 0.95 0.00 0.00 58.89 59.70 2i9s h TRP 40 Cb 0.14 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 2i9s h TRP 40 CO -0.03 0.93 0.00 -0.56 -1.05 0.00 0.00 178.44 177.73 2i9s h GLN 41 N -0.43 0.00 0.28 0.49 -0.00 -1.19 0.30 115.11 114.56 2i9s h GLN 41 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2i9s h GLN 41 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.47 2i9s h GLN 41 CO 0.05 0.00 -0.13 0.78 -0.00 0.00 0.00 178.83 179.53 2i9s h GLY 42 N 2.83 -0.39 1.61 0.06 0.00 -0.98 -0.52 103.07 105.68 2i9s h GLY 42 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 47.33 47.35 2i9s h GLY 42 CO 0.00 -0.14 -0.44 1.48 0.00 0.00 0.00 176.54 177.44 2i9s h SER 43 N -0.42 0.46 -0.47 0.19 4.64 -0.78 0.14 113.55 117.30 2i9s h SER 43 Ca -0.04 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 2i9s h SER 43 Cb 0.32 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2i9s h SER 43 CO 0.06 0.84 0.27 -0.07 -0.87 0.00 0.00 176.83 177.06 2i9s h LEU 44 N 0.35 0.60 0.00 5.97 3.38 -0.32 -0.86 115.31 124.43 2i9s h LEU 44 Ca 0.03 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2i9s h LEU 44 Cb 0.91 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2i9s h LEU 44 CO 0.08 0.49 -0.97 -0.26 0.09 0.00 0.00 178.44 177.87 2i9s h PHE 45 N 0.69 0.00 -0.28 1.13 -1.00 -0.86 -3.18 116.94 113.44 2i9s h PHE 45 Ca 0.18 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.89 2i9s h PHE 45 Cb 0.03 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 2i9s h PHE 45 CO 0.00 0.23 -0.13 -0.97 -1.61 0.00 0.00 178.31 175.84 2i9s h ASN 46 N 0.00 0.45 -0.08 2.17 -0.73 0.15 -0.12 115.58 117.43 2i9s h ASN 46 Ca -0.05 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.00 2i9s h ASN 46 Cb 1.22 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.69 2i9s h ASN 46 CO 0.02 0.62 0.00 0.00 -0.37 0.00 0.00 177.43 177.70 2i9s n ALA 47 N -2.48 2.56 -3.89 1.57 0.00 -0.41 -4.92 120.51 112.93 2i9s n ALA 47 Ca 0.00 -0.28 -0.27 0.00 0.00 0.00 0.00 53.44 52.90 2i9s n ALA 47 Cb 0.32 -1.18 0.01 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.29 -2.52 -4.89 0.00 5.15 -0.06 -5.00 115.26 107.65 2i9s n ASN 48 Ca 0.13 -0.86 -0.30 0.00 -0.60 0.00 0.00 54.58 52.95 2i9s n ASN 48 Cb 0.17 -3.65 0.06 0.00 -0.53 0.00 0.00 39.78 35.82 2i9s n ASN 48 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2i9s s TYR 49 N -3.56 3.23 -0.72 1.20 2.02 -1.20 -4.98 117.35 113.35 2i9s s TYR 49 Ca 0.32 0.97 -0.16 0.00 -0.37 0.00 0.00 57.07 57.83 2i9s s TYR 49 Cb -0.16 -3.17 0.17 0.00 -0.40 0.00 0.00 41.96 38.39 2i9s s TYR 49 CO 0.85 -1.32 0.71 0.34 -1.57 0.00 0.00 175.55 174.55 2i9s s ASP 50 N -4.41 6.49 0.29 2.29 2.15 -1.26 -4.85 116.67 117.37 2i9s s ASP 50 Ca 0.59 -2.17 0.03 0.00 0.43 0.00 0.00 52.55 51.42 2i9s s ASP 50 Cb -0.11 -2.24 -0.04 0.00 -0.30 0.00 0.00 42.92 40.23 2i9s s ASP 50 CO 0.51 -0.79 0.14 0.68 -0.17 0.00 0.00 175.17 175.54 2i9s s VAL 51 N 1.20 0.41 -0.04 1.11 -7.23 -1.26 -3.79 120.40 110.81 2i9s s VAL 51 Ca 0.14 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.30 2i9s s VAL 51 Cb -0.18 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.24 2i9s s VAL 51 CO -0.03 0.00 0.03 -1.10 -0.31 0.00 0.00 175.10 173.69 2i9s s GLN 52 N -3.89 0.18 0.01 4.82 1.11 -0.67 -5.00 119.66 116.22 2i9s s GLN 52 Ca 0.36 0.21 0.08 0.00 0.01 0.00 0.00 55.36 56.03 2i9s s GLN 52 Cb 0.06 -0.57 -0.02 0.00 -1.01 0.00 0.00 33.01 31.46 2i9s s GLN 52 CO 0.16 -0.25 -0.26 1.03 0.01 0.00 0.00 175.29 175.98 2i9s s ARG 53 N 1.68 1.92 0.10 2.91 0.52 -1.26 0.66 118.95 125.48 2i9s s ARG 53 Ca -0.01 -1.00 0.06 0.00 -0.52 0.00 0.00 55.73 54.26 2i9s s ARG 53 Cb -0.13 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 2i9s s ARG 53 CO -0.03 0.53 -0.15 -0.06 0.02 0.00 0.00 175.30 175.61 2i9s s PHE 54 N -0.69 1.35 -0.44 -0.53 0.40 -0.82 -4.95 117.98 112.30 2i9s s PHE 54 Ca 0.11 -0.50 -0.19 0.00 -0.60 0.00 0.00 56.93 55.75 2i9s s PHE 54 Cb -0.10 -0.73 0.03 0.00 0.51 0.00 0.00 43.02 42.72 2i9s s PHE 54 CO 0.00 0.11 0.53 0.42 0.70 0.00 0.00 175.22 176.98 2i9s s ILE 55 N -1.67 4.98 -0.16 0.64 1.01 -1.26 -0.97 121.20 123.77 2i9s s ILE 55 Ca 0.04 -0.22 0.09 0.00 0.00 0.00 0.00 60.65 60.56 2i9s s ILE 55 Cb -0.08 -4.13 -0.12 0.00 0.01 0.00 0.00 42.46 38.15 2i9s s ILE 55 CO 0.03 -0.53 0.25 1.33 0.00 0.00 0.00 174.94 176.02 2i9s n VAL 56 N 5.60 0.00 0.00 2.92 0.24 -1.12 -5.02 118.33 120.95 2i9s n VAL 56 Ca -0.05 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2i9s n VAL 56 Cb 0.47 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 2i9s n VAL 56 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2i9s n GLY 57 N 1.70 -0.15 3.64 7.63 0.00 -0.46 -4.91 105.19 112.64 2i9s n GLY 57 Ca -0.00 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 2i9s n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i9s s SER 58 N 0.00 6.36 0.00 1.61 0.15 -1.26 -0.51 113.70 120.05 2i9s s SER 58 Ca 0.00 2.01 0.00 0.00 0.70 0.00 0.00 55.95 58.66 2i9s s SER 58 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2i9s s SER 58 CO 0.00 -1.21 0.00 -0.67 1.20 0.00 0.00 173.24 172.56 2i9s n ASP 59 N 8.32 -1.97 -3.74 5.45 -0.08 -1.26 -4.97 116.55 118.29 2i9s n ASP 59 Ca 0.20 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.29 2i9s n ASP 59 Cb 0.44 -0.33 -0.17 0.00 2.34 0.00 0.00 41.12 43.40 2i9s n ASP 59 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2i9s s ARG 60 N -0.30 0.14 0.14 -0.67 3.00 0.34 0.58 118.95 122.18 2i9s s ARG 60 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 55.73 55.97 2i9s s ARG 60 Cb 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 34.95 34.37 2i9s s ARG 60 CO 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 175.30 175.02 2i9s s ALA 61 N 1.65 1.22 0.05 2.13 0.00 -0.62 -1.35 121.76 124.85 2i9s s ALA 61 Ca -0.01 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.47 2i9s s ALA 61 Cb -0.13 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 2i9s s ALA 61 CO -0.03 -0.26 -0.06 0.96 0.00 0.00 0.00 175.76 176.37 2i9s s ILE 62 N -3.61 0.43 -0.20 0.00 -4.36 -0.14 -1.48 121.20 111.83 2i9s s ILE 62 Ca 0.18 -1.40 0.00 0.00 -0.26 0.00 0.00 60.65 59.18 2i9s s ILE 62 Cb 0.05 -0.98 0.05 0.00 1.25 0.00 0.00 42.46 42.83 2i9s s ILE 62 CO 0.00 -0.65 -0.06 0.72 0.24 0.00 0.00 174.94 175.19 2i9s s PHE 63 N -2.45 2.15 -0.21 1.37 -0.71 -0.63 -1.94 117.98 115.56 2i9s s PHE 63 Ca -0.02 -1.49 -0.15 0.00 -1.04 0.00 0.00 56.93 54.23 2i9s s PHE 63 Cb -0.03 -1.50 -0.04 0.00 -1.21 0.00 0.00 43.02 40.24 2i9s s PHE 63 CO -0.03 -0.72 0.35 1.41 -1.34 0.00 0.00 175.22 174.89 2i9s s MET 64 N 1.48 4.16 -0.03 1.99 1.75 0.21 -1.31 119.30 127.55 2i9s s MET 64 Ca -0.03 0.12 -0.02 0.00 -1.25 0.00 0.00 55.69 54.51 2i9s s MET 64 Cb -0.17 -3.53 -0.04 0.00 2.84 0.00 0.00 34.83 33.93 2i9s s MET 64 CO -0.07 -0.00 0.12 -0.48 -0.65 0.00 0.00 175.02 173.94 2i9s s LEU 65 N 1.21 4.13 -0.00 4.11 2.34 -0.55 -1.68 118.68 128.24 2i9s s LEU 65 Ca 0.17 0.27 -0.00 0.00 0.06 0.00 0.00 54.13 54.63 2i9s s LEU 65 Cb -0.14 -2.35 -0.00 0.00 -0.56 0.00 0.00 46.19 43.13 2i9s s LEU 65 CO 0.07 0.29 -0.00 -1.14 -1.06 0.00 0.00 176.35 174.51 2i9s n ARG 66 N 1.26 0.01 0.09 1.48 0.00 -1.25 -1.15 116.66 117.09 2i9s n ARG 66 Ca -0.13 0.00 0.18 0.00 -0.00 0.00 0.00 57.85 57.90 2i9s n ARG 66 Cb 0.53 -0.55 0.54 0.00 0.00 0.00 0.00 32.46 32.98 2i9s n ARG 66 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2i9s h ASP 67 N -0.01 0.00 0.00 6.15 3.58 -1.81 -3.07 116.42 121.26 2i9s h ASP 67 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2i9s h ASP 67 Cb 1.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 2i9s h ASP 67 CO -0.01 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.96 2i9s n GLY 68 N -1.51 2.55 2.47 -0.78 0.00 -1.25 -3.63 105.19 103.04 2i9s n GLY 68 Ca 0.09 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 2i9s n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2i9s n SER 69 N 0.77 3.43 0.00 1.61 7.64 -1.22 -4.54 113.62 121.30 2i9s n SER 69 Ca 0.00 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.71 2i9s n SER 69 Cb 0.00 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2i9s n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i9s n TYR 70 N -0.47 0.00 -0.05 1.43 4.11 -1.26 -4.95 117.16 115.96 2i9s n TYR 70 Ca 0.27 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 58.04 2i9s n TYR 70 Cb 0.81 0.05 -0.14 0.00 -0.00 0.00 0.00 39.34 40.05 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 0.00 1.33 0.46 -3.48 0.00 -1.26 -4.23 120.51 113.33 2i9s n ALA 71 Ca 0.00 -0.93 0.12 0.00 0.00 0.00 0.00 53.44 52.64 2i9s n ALA 71 Cb 0.31 -0.50 0.28 0.00 0.00 0.00 0.00 19.45 19.54 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 0.02 0.00 0.00 0.00 6.55 -1.95 0.97 115.95 121.54 2i9s h TRP 72 Ca -0.44 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.26 2i9s h TRP 72 Cb 2.06 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 30.34 2i9s h TRP 72 CO 0.03 0.00 -0.66 1.49 -1.05 0.00 0.00 178.44 178.25 2i9s h GLU 73 N 0.00 0.00 -0.73 0.49 4.81 -2.00 -2.14 114.58 115.01 2i9s h GLU 73 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2i9s h GLU 73 Cb 0.84 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 2i9s h GLU 73 CO 0.00 0.66 0.42 0.82 -0.73 0.00 0.00 179.01 180.18 2i9s h ILE 74 N 0.00 1.22 -0.79 2.32 2.04 -1.05 -1.72 117.51 119.52 2i9s h ILE 74 Ca -0.01 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 2i9s h ILE 74 Cb 1.19 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 2i9s h ILE 74 CO 0.09 0.23 0.45 0.07 0.00 0.00 0.00 178.15 178.99 2i9s h LYS 75 N 1.01 1.09 -0.07 2.37 2.10 -0.67 -1.18 116.57 121.22 2i9s h LYS 75 Ca 0.26 -0.12 0.03 0.00 -2.00 0.00 0.00 60.65 58.83 2i9s h LYS 75 Cb 0.00 -0.22 -0.04 0.00 -0.90 0.00 0.00 32.23 31.07 2i9s h LYS 75 CO -0.05 0.79 -0.15 0.22 -2.00 0.00 0.00 179.45 178.27 2i9s h ASP 76 N 1.09 -0.45 -0.45 7.07 3.58 -0.92 -1.30 116.42 125.04 2i9s h ASP 76 Ca 0.28 0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.88 2i9s h ASP 76 Cb 0.01 0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.20 2i9s h ASP 76 CO -0.05 -0.20 0.11 -0.26 -2.88 0.00 0.00 179.24 175.96 2i9s h PHE 77 N -0.21 0.18 0.13 0.28 0.04 -0.54 -0.48 116.94 116.33 2i9s h PHE 77 Ca 0.07 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 2i9s h PHE 77 Cb 0.32 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.46 2i9s h PHE 77 CO -0.24 0.03 -0.06 -0.07 -0.60 0.00 0.00 178.31 177.37 2i9s h LEU 78 N 0.25 -0.15 0.00 1.54 3.38 -0.85 1.00 115.31 120.47 2i9s h LEU 78 Ca 0.22 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2i9s h LEU 78 Cb 0.27 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2i9s h LEU 78 CO -0.27 0.06 0.00 1.33 0.09 0.00 0.00 178.44 179.64 2i9s n VAL 79 N -5.08 0.57 0.42 1.22 0.24 -0.53 0.54 118.33 115.70 2i9s n VAL 79 Ca -0.09 0.14 0.06 0.00 -2.04 0.00 0.00 64.34 62.41 2i9s n VAL 79 Cb 0.16 -0.86 0.06 0.00 -1.47 0.00 0.00 33.84 31.73 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 -1.33 2.06 0.02 -1.34 7.64 -0.21 -4.41 113.62 116.06 2i9s n SER 80 Ca 0.07 -1.53 -0.18 0.00 1.01 0.00 0.00 58.87 58.24 2i9s n SER 80 Cb 0.15 -0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.18 2i9s n SER 80 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2i9s h GLN 81 N 2.26 0.23 0.00 1.43 5.75 0.64 -3.49 115.11 121.93 2i9s h GLN 81 Ca 0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 2i9s h GLN 81 Cb 0.51 0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.20 2i9s h GLN 81 CO 0.00 1.06 0.00 -3.47 -2.65 0.00 0.00 178.83 173.77 2i9s n ASP 82 N -3.40 0.00 -2.78 -0.69 2.03 -0.86 -5.05 116.55 105.80 2i9s n ASP 82 Ca -0.24 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.06 2i9s n ASP 82 Cb 1.05 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 41.53 2i9s n ASP 82 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2i9s n ARG 83 N 0.00 1.58 0.00 -0.67 1.74 -1.26 -4.96 116.66 113.09 2i9s n ARG 83 Ca 0.00 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.35 2i9s n ARG 83 Cb 0.00 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 2i9s n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i9s n ALA 85 N -0.40 0.00 -3.60 0.00 0.00 -1.15 -4.00 120.51 111.37 2i9s n ALA 85 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2i9s n ALA 85 Cb 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.37 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 0.00 0.18 -0.34 0.00 2.56 0.00 -4.98 118.70 116.12 2i9s s GLU 86 Ca 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 54.97 55.38 2i9s s GLU 86 Cb 0.00 -0.09 0.07 0.00 2.00 0.00 0.00 34.13 36.11 2i9s s GLU 86 CO 0.00 -0.14 0.08 0.08 -0.56 0.00 0.00 175.26 174.72 2i9s s VAL 87 N 1.00 3.11 0.08 3.70 1.01 -1.26 0.28 120.40 128.32 2i9s s VAL 87 Ca -0.07 -1.63 0.09 0.00 0.00 0.00 0.00 61.98 60.37 2i9s s VAL 87 Cb -0.09 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 2i9s s VAL 87 CO -0.06 -0.32 -0.24 0.42 0.00 0.00 0.00 175.10 174.89 2i9s s THR 88 N 1.21 2.36 0.06 3.92 -4.23 -0.13 -5.00 115.64 113.83 2i9s s THR 88 Ca 0.00 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2i9s s THR 88 Cb -0.21 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 2i9s s THR 88 CO -0.02 0.24 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.49 2i9s s LEU 89 N -1.64 2.44 0.54 4.79 1.43 -1.26 -1.91 118.68 123.06 2i9s s LEU 89 Ca 0.14 -0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 52.20 2i9s s LEU 89 Cb -0.10 0.06 -0.07 0.00 0.03 0.00 0.00 46.19 46.11 2i9s s LEU 89 CO 0.05 -0.47 1.00 -0.70 0.23 0.00 0.00 176.35 176.45 2i9s s GLU 90 N -3.31 3.87 0.00 1.70 2.12 -1.26 -4.93 118.70 116.90 2i9s s GLU 90 Ca 0.04 0.91 0.00 0.00 0.36 0.00 0.00 54.97 56.28 2i9s s GLU 90 Cb 0.03 -2.12 0.00 0.00 0.26 0.00 0.00 34.13 32.29 2i9s s GLU 90 CO -0.06 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.73 2i9s n GLY 91 N -1.83 0.89 3.55 -1.50 0.00 -1.26 -4.90 105.19 100.14 2i9s n GLY 91 Ca 0.06 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 2i9s n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2i9s s GLN 92 N -0.98 2.80 -1.57 1.61 -0.21 -1.26 -4.47 119.66 115.58 2i9s s GLN 92 Ca 0.00 -0.58 -0.03 0.00 0.02 0.00 0.00 55.36 54.78 2i9s s GLN 92 Cb 0.00 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.43 2i9s s GLN 92 CO 0.00 0.61 0.36 -0.12 -2.12 0.00 0.00 175.29 174.01 2i9s n MET 93 N 2.39 -3.49 0.08 2.91 0.00 -1.26 -4.94 117.12 112.82 2i9s n MET 93 Ca -0.18 0.91 -0.13 0.00 0.00 0.00 0.00 57.70 58.30 2i9s n MET 93 Cb 0.53 -5.62 -0.08 0.00 0.00 0.00 0.00 33.22 28.04 2i9s n MET 93 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2i9s h TYR 94 N -0.81 -0.19 -3.84 1.12 3.20 -1.91 -3.46 116.97 111.08 2i9s h TYR 94 Ca -0.49 -0.00 -0.40 0.00 3.14 0.00 0.00 58.73 60.97 2i9s h TYR 94 Cb 1.35 0.06 0.15 0.00 1.54 0.00 0.00 36.73 39.84 2i9s h TYR 94 CO 0.51 0.14 0.36 -0.35 -1.64 0.00 0.00 178.16 177.18 2i9s n PRO 95 N -5.03 -1.09 0.00 1.82 -0.04 -1.26 -4.95 135.00 124.45 2i9s n PRO 95 Ca -0.09 -1.94 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 2i9s n PRO 95 Cb 0.22 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.87 0.88 0.00 0.55 0.00 -1.26 -5.12 105.19 97.36 2i9s n GLY 96 Ca 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2i9s n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49