#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj h THR 2 N 0.00 1.33 -1.24 0.00 2.02 -2.01 -3.49 112.91 109.52 2otj h THR 2 Ca 0.00 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.90 2otj h THR 2 Cb 0.00 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2otj h THR 2 CO 0.00 0.38 0.00 0.61 0.37 0.00 0.00 175.52 176.88 2otj n GLY 3 N 0.13 3.45 0.12 2.16 0.00 -1.26 -5.02 105.19 104.77 2otj n GLY 3 Ca -0.05 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 2otj n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2otj h PRO 4 N 0.00 0.18 0.00 1.61 0.11 -2.07 -3.17 132.00 128.66 2otj h PRO 4 Ca 0.00 -0.21 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 2otj h PRO 4 Cb 0.00 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 2otj h PRO 4 CO 0.00 0.97 -0.11 -0.09 -0.21 0.00 0.00 178.00 178.56 2otj h ARG 5 N 0.10 0.00 -6.77 1.05 2.43 -2.02 -3.46 114.38 105.71 2otj h ARG 5 Ca -0.05 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.56 2otj h ARG 5 Cb 1.55 0.00 0.12 0.00 -0.42 0.00 0.00 29.97 31.21 2otj h ARG 5 CO 0.14 0.11 0.48 0.98 -1.51 0.00 0.00 179.97 180.16 2otj n TYR 6 N -3.18 2.16 -3.80 2.20 9.36 -1.20 -4.99 117.16 117.70 2otj n TYR 6 Ca 0.02 0.54 -0.37 0.00 3.32 0.00 0.00 57.90 61.40 2otj n TYR 6 Cb 0.45 -2.39 -0.13 0.00 -0.63 0.00 0.00 39.34 36.64 2otj n TYR 6 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2otj s LYS 7 N -2.00 2.63 -0.17 2.98 2.47 -1.26 -4.76 119.74 119.63 2otj s LYS 7 Ca 0.58 -1.16 -0.15 0.00 -1.56 0.00 0.00 55.97 53.68 2otj s LYS 7 Cb -0.55 -3.36 -0.04 0.00 -1.46 0.00 0.00 37.83 32.42 2otj s LYS 7 CO 0.60 -0.62 0.34 0.08 0.16 0.00 0.00 175.35 175.92 2otj s VAL 8 N 1.37 5.26 0.93 4.02 1.01 -1.26 -5.00 120.40 126.74 2otj s VAL 8 Ca -0.02 0.64 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 2otj s VAL 8 Cb -0.19 -3.68 0.14 0.00 0.00 0.00 0.00 36.38 32.65 2otj s VAL 8 CO 0.01 0.34 1.05 -2.65 0.00 0.00 0.00 175.10 173.86 2otj n PRO 9 N 3.84 -0.52 -1.79 2.72 -0.02 -1.26 -4.95 135.00 133.02 2otj n PRO 9 Ca -0.10 -0.09 -0.38 0.00 -2.02 0.00 0.00 63.50 60.91 2otj n PRO 9 Cb 0.52 -2.31 0.04 0.00 -0.02 0.00 0.00 33.50 31.73 2otj n PRO 9 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2otj s MET 10 N -4.51 3.14 0.19 -0.52 -1.94 -1.26 -4.70 119.30 109.70 2otj s MET 10 Ca 0.66 2.22 -0.17 0.00 -1.71 0.00 0.00 55.69 56.69 2otj s MET 10 Cb -0.23 -2.25 0.17 0.00 2.01 0.00 0.00 34.83 34.53 2otj s MET 10 CO 0.59 -1.18 1.62 -0.09 -0.01 0.00 0.00 175.02 175.95 2otj h ARG 11 N 1.45 -0.07 0.00 2.03 2.43 -2.00 0.21 114.38 118.43 2otj h ARG 11 Ca -0.51 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2otj h ARG 11 Cb 1.30 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 2otj h ARG 11 CO 0.57 -0.05 0.00 0.54 -1.51 0.00 0.00 179.97 179.52 2otj n ARG 12 N -5.42 0.52 -0.11 0.20 1.74 -1.26 -1.60 116.66 110.73 2otj n ARG 12 Ca 0.05 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.00 2otj n ARG 12 Cb 0.32 -1.41 -0.14 0.00 -1.02 0.00 0.00 32.46 30.21 2otj n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2otj n ARG 13 N -0.91 0.67 -0.10 5.56 3.00 0.68 -1.88 116.66 123.67 2otj n ARG 13 Ca 0.10 0.06 -0.10 0.00 -0.00 0.00 0.00 57.85 57.92 2otj n ARG 13 Cb 0.05 -1.52 -0.02 0.00 0.00 0.00 0.00 32.46 30.96 2otj n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2otj h ARG 14 N 0.00 0.49 0.00 -0.14 3.08 -0.54 -2.09 114.38 115.18 2otj h ARG 14 Ca -0.56 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.39 2otj h ARG 14 Cb 2.10 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 32.07 2otj h ARG 14 CO -0.02 0.52 0.00 0.39 -1.07 0.00 0.00 179.97 179.79 2otj n GLU 15 N -4.69 0.10 -3.53 0.04 1.02 -0.62 -4.89 120.64 108.07 2otj n GLU 15 Ca -0.02 0.40 -0.19 0.00 -0.02 0.00 0.00 57.16 57.33 2otj n GLU 15 Cb 0.16 -1.72 0.06 0.00 -0.02 0.00 0.00 31.44 29.92 2otj n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2otj n ALA 16 N -1.65 -2.12 0.00 0.62 0.00 -0.79 -4.92 120.51 111.65 2otj n ALA 16 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2otj n ALA 16 Cb 0.16 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 16.78 2otj n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2otj n ARG 17 N -4.06 3.15 -4.48 0.00 1.74 -0.83 -5.04 116.66 107.15 2otj n ARG 17 Ca -0.25 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.51 2otj n ARG 17 Cb 0.66 -0.90 -0.16 0.00 -1.02 0.00 0.00 32.46 31.03 2otj n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2otj s THR 18 N -1.80 1.91 -0.73 0.55 2.01 -0.79 -4.71 115.64 112.08 2otj s THR 18 Ca 0.00 -0.88 -0.19 0.00 0.31 0.00 0.00 61.69 60.93 2otj s THR 18 Cb 0.00 -1.71 0.12 0.00 0.01 0.00 0.00 72.50 70.91 2otj s THR 18 CO 0.00 0.52 0.90 -0.62 -0.69 0.00 0.00 174.62 174.73 2otj s ASP 19 N 0.99 6.37 0.51 3.53 -1.08 -1.26 -4.61 116.67 121.12 2otj s ASP 19 Ca -0.04 -1.64 0.20 0.00 -0.52 0.00 0.00 52.55 50.55 2otj s ASP 19 Cb -0.15 -2.35 1.31 0.00 -1.46 0.00 0.00 42.92 40.28 2otj s ASP 19 CO -0.05 -1.13 2.11 1.88 0.52 0.00 0.00 175.17 178.51 2otj h TYR 20 N 9.04 0.00 -0.20 -5.34 -1.99 -1.97 0.28 116.97 116.79 2otj h TYR 20 Ca -0.12 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.51 2otj h TYR 20 Cb 1.06 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.79 2otj h TYR 20 CO 0.99 0.08 -0.30 0.45 -0.00 0.00 0.00 178.16 179.38 2otj h HIS 21 N 0.00 0.67 -0.24 4.88 3.86 -2.01 -2.30 115.15 120.02 2otj h HIS 21 Ca -0.00 -0.23 -0.12 0.00 -1.16 0.00 0.00 60.37 58.86 2otj h HIS 21 Cb 0.15 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 2otj h HIS 21 CO 0.00 0.94 -0.35 0.37 0.86 0.00 0.00 177.93 179.75 2otj h GLN 22 N 0.21 0.52 -0.44 2.45 4.15 -1.88 -3.08 115.11 117.04 2otj h GLN 22 Ca 0.02 -0.24 0.02 0.00 0.77 0.00 0.00 58.65 59.22 2otj h GLN 22 Cb 0.88 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.53 2otj h GLN 22 CO 0.07 0.80 0.26 -0.09 -1.93 0.00 0.00 178.83 177.94 2otj h ARG 23 N 0.44 0.50 -0.14 1.69 2.43 -0.87 -1.06 114.38 117.37 2otj h ARG 23 Ca 0.05 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2otj h ARG 23 Cb 0.82 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 2otj h ARG 23 CO 0.07 0.33 0.02 1.25 -1.51 0.00 0.00 179.97 180.13 2otj h LEU 24 N 0.52 -0.02 -1.74 3.80 5.85 -1.32 0.25 115.31 122.64 2otj h LEU 24 Ca 0.18 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2otj h LEU 24 Cb 0.01 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2otj h LEU 24 CO -0.08 0.01 0.21 0.03 -0.34 0.00 0.00 178.44 178.27 2otj h ARG 25 N 0.07 0.33 0.31 1.25 3.08 -1.48 -1.42 114.38 116.52 2otj h ARG 25 Ca 0.07 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2otj h ARG 25 Cb 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2otj h ARG 25 CO -0.10 0.22 -0.15 1.25 -1.07 0.00 0.00 179.97 180.12 2otj h LEU 26 N 0.34 -0.36 -2.91 3.04 5.85 0.13 -3.18 115.31 118.22 2otj h LEU 26 Ca 0.13 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2otj h LEU 26 Cb 0.09 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2otj h LEU 26 CO -0.03 0.06 0.00 -0.07 -0.34 0.00 0.00 178.44 178.06 2otj h LEU 27 N -0.86 0.00 -1.99 2.25 3.38 -0.06 -2.70 115.31 115.34 2otj h LEU 27 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2otj h LEU 27 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2otj h LEU 27 CO 0.07 0.00 -0.10 0.11 0.09 0.00 0.00 178.44 178.61 2otj h LYS 28 N 0.00 0.00 -0.24 1.13 1.57 -1.25 -2.55 116.57 115.23 2otj h LYS 28 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2otj h LYS 28 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2otj h LYS 28 CO -0.00 0.10 -0.07 0.66 -0.57 0.00 0.00 179.45 179.57 2otj h SER 29 N 0.00 0.35 0.00 0.86 4.64 -1.64 -3.46 113.55 114.30 2otj h SER 29 Ca -0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2otj h SER 29 Cb 0.24 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2otj h SER 29 CO 0.01 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 2otj n GLY 30 N -0.87 1.43 3.93 -0.77 0.00 -0.96 -5.04 105.19 102.92 2otj n GLY 30 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2otj n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2otj s LYS 31 N -0.33 3.52 0.51 1.61 1.02 -1.26 -5.07 119.74 119.74 2otj s LYS 31 Ca 0.00 -0.32 -0.21 0.00 0.02 0.00 0.00 55.97 55.45 2otj s LYS 31 Cb 0.00 -2.76 -0.06 0.00 -0.52 0.00 0.00 37.83 34.49 2otj s LYS 31 CO 0.00 0.29 1.20 -2.14 -0.92 0.00 0.00 175.35 173.78 2otj s PRO 32 N -3.73 3.45 0.08 -1.68 0.02 -1.26 -4.73 135.00 127.16 2otj s PRO 32 Ca 0.39 1.83 -0.22 0.00 0.02 0.00 0.00 61.00 63.02 2otj s PRO 32 Cb -0.10 -2.23 -0.07 0.00 0.02 0.00 0.00 34.50 32.12 2otj s PRO 32 CO 0.31 -0.82 0.67 1.03 -0.33 0.00 0.00 177.00 177.86 2otj s ARG 33 N -2.94 4.38 -0.85 5.54 0.52 0.41 -1.78 118.95 124.22 2otj s ARG 33 Ca 0.69 0.91 -0.17 0.00 -0.52 0.00 0.00 55.73 56.64 2otj s ARG 33 Cb -0.30 -3.28 0.17 0.00 0.52 0.00 0.00 34.95 32.05 2otj s ARG 33 CO 0.35 0.52 0.94 -1.17 0.02 0.00 0.00 175.30 175.96 2otj s LEU 34 N -0.80 5.80 -0.66 2.53 2.96 0.33 -0.81 118.68 128.03 2otj s LEU 34 Ca 0.33 -2.26 -0.27 0.00 -0.22 0.00 0.00 54.13 51.72 2otj s LEU 34 Cb -0.21 -2.31 -0.00 0.00 0.50 0.00 0.00 46.19 44.17 2otj s LEU 34 CO 0.21 -0.86 1.62 -0.69 -1.32 0.00 0.00 176.35 175.31 2otj s VAL 35 N 1.63 3.51 -0.42 1.68 1.01 0.73 -1.05 120.40 127.49 2otj s VAL 35 Ca 0.24 0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.34 2otj s VAL 35 Cb -0.09 -4.34 0.02 0.00 0.00 0.00 0.00 36.38 31.97 2otj s VAL 35 CO -0.08 -1.29 0.47 0.00 0.00 0.00 0.00 175.10 174.20 2otj s ALA 36 N 7.70 3.42 -0.02 5.51 0.00 -0.07 -1.60 121.76 136.70 2otj s ALA 36 Ca 0.54 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 51.13 2otj s ALA 36 Cb -0.11 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 2otj s ALA 36 CO 0.18 -1.57 -0.17 1.03 0.00 0.00 0.00 175.76 175.23 2otj s ARG 37 N 2.26 1.45 0.39 0.00 1.81 -0.58 -4.53 118.95 119.75 2otj s ARG 37 Ca 0.14 -0.61 0.08 0.00 -1.72 0.00 0.00 55.73 53.62 2otj s ARG 37 Cb -0.16 -1.38 -0.02 0.00 -0.45 0.00 0.00 34.95 32.94 2otj s ARG 37 CO 0.14 0.35 0.36 0.15 -0.68 0.00 0.00 175.30 175.63 2otj s LYS 38 N -0.33 2.62 0.12 3.54 1.02 -1.26 -0.76 119.74 124.68 2otj s LYS 38 Ca 0.05 -1.44 -0.11 0.00 0.02 0.00 0.00 55.97 54.49 2otj s LYS 38 Cb -0.07 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.81 2otj s LYS 38 CO -0.00 -0.11 0.28 0.45 -0.92 0.00 0.00 175.35 175.05 2otj s SER 39 N -4.10 -0.01 0.23 2.83 0.15 0.12 -4.93 113.70 107.99 2otj s SER 39 Ca 0.46 -0.60 -0.07 0.00 0.70 0.00 0.00 55.95 56.44 2otj s SER 39 Cb -0.04 0.41 0.31 0.00 -1.71 0.00 0.00 66.02 64.98 2otj s SER 39 CO 0.28 -0.81 1.83 0.78 1.20 0.00 0.00 173.24 176.52 2otj h ASN 40 N 2.58 0.71 0.00 5.45 2.35 -1.98 -3.18 115.58 121.51 2otj h ASN 40 Ca -0.33 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2otj h ASN 40 Cb 1.22 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.47 2otj h ASN 40 CO 0.51 0.45 -1.51 0.29 -1.65 0.00 0.00 177.43 175.52 2otj n LYS 41 N -4.70 0.75 -4.44 0.81 5.02 -1.26 -4.75 118.16 109.59 2otj n LYS 41 Ca 0.11 -0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 2otj n LYS 41 Cb 0.19 -1.32 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 2otj n LYS 41 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2otj s HIS 42 N -2.92 1.83 -0.03 2.13 3.76 -1.20 -2.76 115.29 116.10 2otj s HIS 42 Ca -0.04 -1.10 -0.01 0.00 -0.15 0.00 0.00 55.06 53.77 2otj s HIS 42 Cb 0.10 -1.17 0.03 0.00 1.11 0.00 0.00 32.58 32.65 2otj s HIS 42 CO 0.61 -0.15 0.06 0.08 -0.85 0.00 0.00 174.74 174.49 2otj s VAL 43 N -3.37 -0.09 0.08 -0.90 1.01 -1.25 0.12 120.40 116.01 2otj s VAL 43 Ca 0.33 0.29 0.10 0.00 0.00 0.00 0.00 61.98 62.69 2otj s VAL 43 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 2otj s VAL 43 CO 0.15 0.12 -0.25 -0.60 0.00 0.00 0.00 175.10 174.51 2otj s ARG 44 N 1.48 1.53 -0.05 2.72 3.52 0.06 -1.19 118.95 127.01 2otj s ARG 44 Ca -0.04 -1.18 -0.01 0.00 -0.13 0.00 0.00 55.73 54.37 2otj s ARG 44 Cb -0.12 -1.83 0.03 0.00 -1.56 0.00 0.00 34.95 31.46 2otj s ARG 44 CO -0.03 0.45 0.01 0.00 -0.81 0.00 0.00 175.30 174.92 2otj s ALA 45 N -0.93 0.50 0.10 6.12 0.00 -0.34 -1.52 121.76 125.69 2otj s ALA 45 Ca 0.11 0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.19 2otj s ALA 45 Cb -0.10 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 2otj s ALA 45 CO 0.04 -0.34 -0.23 -0.65 0.00 0.00 0.00 175.76 174.58 2otj s GLN 46 N 1.71 1.26 -0.50 0.00 -0.21 -0.63 -1.18 119.66 120.12 2otj s GLN 46 Ca 0.00 -1.20 -0.06 0.00 0.02 0.00 0.00 55.36 54.12 2otj s GLN 46 Cb -0.13 -1.58 0.13 0.00 1.00 0.00 0.00 33.01 32.43 2otj s GLN 46 CO -0.03 0.38 0.34 -0.51 -2.12 0.00 0.00 175.29 173.34 2otj s LEU 47 N -1.87 5.52 -0.17 2.90 2.01 -0.18 -0.19 118.68 126.70 2otj s LEU 47 Ca 0.09 -2.17 -0.07 0.00 0.01 0.00 0.00 54.13 51.99 2otj s LEU 47 Cb -0.10 -1.93 -0.04 0.00 0.01 0.00 0.00 46.19 44.13 2otj s LEU 47 CO 0.04 -0.58 0.07 -0.69 1.01 0.00 0.00 176.35 176.20 2otj s VAL 48 N 0.96 4.84 0.30 -1.59 1.01 0.01 -0.64 120.40 125.29 2otj s VAL 48 Ca 0.09 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.13 2otj s VAL 48 Cb -0.23 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2otj s VAL 48 CO -0.03 0.48 0.15 0.28 0.00 0.00 0.00 175.10 175.98 2otj s THR 49 N 0.20 3.57 0.00 3.92 -1.32 0.96 -0.44 115.64 122.53 2otj s THR 49 Ca 0.05 -1.61 -0.23 0.00 -1.21 0.00 0.00 61.69 58.69 2otj s THR 49 Cb -0.12 -3.09 -0.05 0.00 -1.51 0.00 0.00 72.50 67.73 2otj s THR 49 CO 0.00 -0.27 0.67 -0.22 -2.21 0.00 0.00 174.62 172.59 2otj s LEU 50 N -3.83 4.41 0.24 9.08 2.96 -1.26 -0.06 118.68 130.22 2otj s LEU 50 Ca 0.36 1.26 0.04 0.00 -0.22 0.00 0.00 54.13 55.57 2otj s LEU 50 Cb -0.05 -3.05 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 2otj s LEU 50 CO 0.23 0.03 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.45 2otj s GLY 51 N 0.03 1.63 0.36 7.98 0.00 -0.99 -4.81 107.32 111.52 2otj s GLY 51 Ca 0.35 -1.81 0.06 0.00 0.00 0.00 0.00 44.72 43.32 2otj s GLY 51 CO 0.19 -1.71 1.95 -2.55 0.00 0.00 0.00 173.10 170.98 2otj h PRO 52 N 2.41 0.75 -0.14 2.90 0.11 -1.98 -2.87 132.00 133.19 2otj h PRO 52 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2otj h PRO 52 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2otj h PRO 52 CO 0.65 0.49 0.00 0.09 -0.21 0.00 0.00 178.00 179.03 2otj n ASN 53 N -4.48 2.20 0.00 -2.05 3.02 -1.26 -5.08 115.26 107.60 2otj n ASN 53 Ca 0.11 -1.73 0.00 0.00 -0.03 0.00 0.00 54.58 52.93 2otj n ASN 53 Cb 0.24 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 2otj n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2otj n GLY 54 N 0.22 1.74 3.73 7.41 0.00 -1.08 -5.13 105.19 112.08 2otj n GLY 54 Ca 0.06 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 2otj n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2otj s ASP 55 N 0.00 4.61 -0.19 1.61 1.01 -1.26 -2.35 116.67 120.10 2otj s ASP 55 Ca 0.00 2.42 0.01 0.00 0.71 0.00 0.00 52.55 55.68 2otj s ASP 55 Cb 0.00 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.35 2otj s ASP 55 CO 0.00 -1.98 -0.18 -1.81 0.21 0.00 0.00 175.17 171.41 2otj s ASP 56 N -1.78 3.35 -0.29 0.27 1.01 0.92 -4.80 116.67 115.35 2otj s ASP 56 Ca 0.77 -0.70 -0.23 0.00 0.71 0.00 0.00 52.55 53.10 2otj s ASP 56 Cb -0.31 -1.51 -0.00 0.00 1.01 0.00 0.00 42.92 42.11 2otj s ASP 56 CO 0.40 -0.02 0.77 -0.89 0.21 0.00 0.00 175.17 175.64 2otj s THR 57 N 1.29 4.82 -0.20 -1.27 2.01 -1.26 -0.03 115.64 121.00 2otj s THR 57 Ca 0.04 1.20 0.21 0.00 0.31 0.00 0.00 61.69 63.45 2otj s THR 57 Cb -0.14 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2otj s THR 57 CO -0.11 -0.20 0.99 -0.07 -0.69 0.00 0.00 174.62 174.54 2otj h LEU 58 N 9.36 0.00 -6.41 4.42 4.07 -1.26 -3.47 115.31 122.02 2otj h LEU 58 Ca -0.24 0.00 0.17 0.00 0.08 0.00 0.00 57.88 57.89 2otj h LEU 58 Cb 1.10 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 42.61 2otj h LEU 58 CO 0.87 0.20 0.16 0.00 -1.08 0.00 0.00 178.44 178.58 2otj s ALA 59 N -3.21 -2.76 0.37 1.53 0.00 -1.24 -4.92 121.76 111.53 2otj s ALA 59 Ca -0.01 1.96 0.03 0.00 0.00 0.00 0.00 51.96 53.94 2otj s ALA 59 Cb 0.09 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 21.12 2otj s ALA 59 CO 0.79 -1.06 0.26 -1.13 0.00 0.00 0.00 175.76 174.63 2otj n SER 60 N 5.11 2.25 -3.50 0.00 3.41 -1.26 -1.01 113.62 118.61 2otj n SER 60 Ca -0.08 -2.31 0.01 0.00 -0.26 0.00 0.00 58.87 56.23 2otj n SER 60 Cb 0.52 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 2otj n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2otj s ALA 61 N -2.54 -2.63 0.12 7.33 0.00 -0.33 -4.60 121.76 119.11 2otj s ALA 61 Ca 0.20 2.05 0.08 0.00 0.00 0.00 0.00 51.96 54.29 2otj s ALA 61 Cb -0.02 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 2otj s ALA 61 CO 0.12 -0.62 -0.14 -1.58 0.00 0.00 0.00 175.76 173.55 2otj s HIS 62 N 1.73 2.63 0.34 0.00 2.46 -1.26 -1.20 115.29 119.99 2otj s HIS 62 Ca -0.05 -0.21 0.36 0.00 0.47 0.00 0.00 55.06 55.62 2otj s HIS 62 Cb -0.04 -1.37 1.71 0.00 -0.13 0.00 0.00 32.58 32.76 2otj s HIS 62 CO -0.15 0.42 2.12 0.66 -2.47 0.00 0.00 174.74 175.33 2otj h SER 63 N 3.54 0.00 -0.01 9.88 4.64 -1.50 -2.83 113.55 127.27 2otj h SER 63 Ca -0.49 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2otj h SER 63 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2otj h SER 63 CO 0.50 0.03 -0.00 0.77 -0.87 0.00 0.00 176.83 177.25 2otj h SER 64 N 0.00 0.01 0.00 4.97 4.64 -1.92 -2.82 113.55 118.44 2otj h SER 64 Ca -0.00 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2otj h SER 64 Cb 0.33 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2otj h SER 64 CO 0.00 0.43 0.00 -0.90 -0.87 0.00 0.00 176.83 175.49 2otj n ASP 65 N -4.88 0.84 0.08 4.97 5.75 -1.07 -2.68 116.55 119.56 2otj n ASP 65 Ca -0.08 -1.57 -0.23 0.00 -0.01 0.00 0.00 54.79 52.90 2otj n ASP 65 Cb 0.22 -0.39 -0.15 0.00 -1.03 0.00 0.00 41.12 39.77 2otj n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2otj h LEU 66 N 0.25 0.63 -2.19 -2.12 5.85 -1.53 -3.30 115.31 112.91 2otj h LEU 66 Ca 0.00 -0.93 0.05 0.00 0.84 0.00 0.00 57.88 57.84 2otj h LEU 66 Cb 0.41 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2otj h LEU 66 CO 0.00 1.73 0.16 0.00 -0.34 0.00 0.00 178.44 180.00 2otj h ALA 67 N 0.10 1.89 0.00 1.25 0.00 -1.68 -1.02 119.26 119.80 2otj h ALA 67 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2otj h ALA 67 Cb 2.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.85 2otj h ALA 67 CO 0.18 -0.25 0.08 -1.91 0.00 0.00 0.00 179.25 177.35 2otj n GLU 68 N -4.01 0.08 -0.06 0.00 2.13 -1.24 -0.66 120.64 116.88 2otj n GLU 68 Ca 0.01 0.55 0.03 0.00 0.66 0.00 0.00 57.16 58.42 2otj n GLU 68 Cb 0.29 -1.84 0.06 0.00 0.27 0.00 0.00 31.44 30.22 2otj n GLU 68 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2otj n TYR 69 N -1.92 0.15 0.00 4.31 4.02 -0.39 -4.96 117.16 118.38 2otj n TYR 69 Ca -0.01 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 2otj n TYR 69 Cb 0.10 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 2otj n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2otj n GLY 70 N 0.22 1.26 3.70 2.72 0.00 0.17 -4.97 105.19 108.29 2otj n GLY 70 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2otj n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2otj s TRP 71 N -1.79 3.61 0.00 1.61 -0.11 -1.14 -4.88 118.94 116.24 2otj s TRP 71 Ca 0.00 1.62 0.00 0.00 1.22 0.00 0.00 56.10 58.94 2otj s TRP 71 Cb 0.00 -3.11 0.00 0.00 -1.50 0.00 0.00 33.47 28.86 2otj s TRP 71 CO 0.00 -0.06 0.55 -1.91 -4.62 0.00 0.00 176.95 170.90 2otj n GLU 72 N 4.22 0.57 -2.84 5.86 2.13 -1.26 -4.42 120.64 124.90 2otj n GLU 72 Ca 0.06 -0.69 -0.20 0.00 0.66 0.00 0.00 57.16 56.99 2otj n GLU 72 Cb 0.50 -0.80 0.05 0.00 0.27 0.00 0.00 31.44 31.46 2otj n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2otj s ALA 73 N -0.29 4.27 1.23 4.31 0.00 -1.26 -4.90 121.76 125.11 2otj s ALA 73 Ca 0.00 -1.75 -0.14 0.00 0.00 0.00 0.00 51.96 50.06 2otj s ALA 73 Cb 0.00 -1.76 0.31 0.00 0.00 0.00 0.00 23.12 21.67 2otj s ALA 73 CO 0.00 -0.82 1.00 -2.14 0.00 0.00 0.00 175.76 173.80 2otj s PRO 74 N -4.71 -1.46 -0.12 0.00 0.02 -1.26 -5.00 135.00 122.47 2otj s PRO 74 Ca 0.60 0.71 0.17 0.00 0.02 0.00 0.00 61.00 62.50 2otj s PRO 74 Cb -0.08 -1.50 0.40 0.00 0.02 0.00 0.00 34.50 33.34 2otj s PRO 74 CO 0.38 -4.05 1.19 0.25 -0.33 0.00 0.00 177.00 174.44 2otj n THR 75 N -5.13 1.26 -2.37 0.99 -2.24 -1.26 -4.76 114.28 100.77 2otj n THR 75 Ca 0.04 -2.22 -0.02 0.00 -2.27 0.00 0.00 64.05 59.58 2otj n THR 75 Cb 0.55 0.26 0.06 0.00 -2.10 0.00 0.00 70.33 69.11 2otj n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2otj n GLY 76 N -0.47 2.90 2.90 3.38 0.00 -1.11 -3.71 105.19 109.08 2otj n GLY 76 Ca 0.13 -1.31 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 2otj n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2otj n ASN 77 N -0.35 2.59 0.02 1.61 0.23 -1.26 -4.96 115.26 113.14 2otj n ASN 77 Ca 0.15 -2.80 -0.12 0.00 -0.53 0.00 0.00 54.58 51.28 2otj n ASN 77 Cb 0.93 0.45 -0.07 0.00 -2.08 0.00 0.00 39.78 39.01 2otj n ASN 77 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 2otj h MET 78 N 0.00 0.05 -0.64 -3.83 2.86 -1.88 -0.38 114.93 111.10 2otj h MET 78 Ca -0.32 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.30 2otj h MET 78 Cb 1.03 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 2otj h MET 78 CO 0.53 0.07 0.32 -1.35 1.06 0.00 0.00 176.91 177.53 2otj h PRO 79 N 0.01 0.91 0.40 -0.22 0.11 -1.77 -0.85 132.00 130.58 2otj h PRO 79 Ca 0.01 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 2otj h PRO 79 Cb 0.03 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 2otj h PRO 79 CO -0.00 0.69 -0.25 1.03 -0.21 0.00 0.00 178.00 179.26 2otj h SER 80 N 0.91 -0.62 0.21 -2.05 0.87 -1.81 -1.96 113.55 109.09 2otj h SER 80 Ca 0.22 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2otj h SER 80 Cb 0.08 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 2otj h SER 80 CO -0.03 -0.39 -0.38 0.00 -0.53 0.00 0.00 176.83 175.50 2otj h ALA 81 N -0.06 -0.72 -0.09 6.23 0.00 -0.60 -0.68 119.26 123.34 2otj h ALA 81 Ca -0.04 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2otj h ALA 81 Cb 0.51 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2otj h ALA 81 CO 0.04 -0.96 -0.48 -0.92 0.00 0.00 0.00 179.25 176.93 2otj h TYR 82 N -0.67 -1.41 -0.70 0.00 3.20 -1.13 -0.99 116.97 115.28 2otj h TYR 82 Ca 0.01 0.05 0.08 0.00 3.14 0.00 0.00 58.73 62.00 2otj h TYR 82 Cb 0.66 0.63 -0.04 0.00 1.54 0.00 0.00 36.73 39.51 2otj h TYR 82 CO -0.29 -0.52 0.46 -0.07 -1.64 0.00 0.00 178.16 176.10 2otj h LEU 83 N -0.57 0.59 -0.68 2.82 3.38 -1.24 0.13 115.31 119.75 2otj h LEU 83 Ca 0.05 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2otj h LEU 83 Cb 0.67 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2otj h LEU 83 CO -0.39 0.37 0.12 0.74 0.09 0.00 0.00 178.44 179.37 2otj h THR 84 N 0.67 1.26 -0.50 0.22 2.02 -0.31 0.40 112.91 116.68 2otj h THR 84 Ca 0.31 -1.04 -0.10 0.00 0.77 0.00 0.00 66.41 66.35 2otj h THR 84 Cb 0.34 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2otj h THR 84 CO -0.10 0.39 -0.10 1.23 0.37 0.00 0.00 175.52 177.31 2otj h GLY 85 N 1.05 0.99 1.01 2.16 0.00 0.18 -0.79 103.07 107.66 2otj h GLY 85 Ca 0.21 -0.76 -0.10 0.00 0.00 0.00 0.00 47.33 46.68 2otj h GLY 85 CO 0.01 0.70 -0.11 -2.00 0.00 0.00 0.00 176.54 175.14 2otj h LEU 86 N 0.82 0.84 -0.16 3.11 5.85 -0.70 0.15 115.31 125.22 2otj h LEU 86 Ca 0.14 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2otj h LEU 86 Cb 0.62 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2otj h LEU 86 CO 0.04 1.01 0.07 0.25 -0.34 0.00 0.00 178.44 179.48 2otj h LEU 87 N 0.66 0.22 -0.71 2.25 5.85 -0.77 -0.46 115.31 122.34 2otj h LEU 87 Ca 0.11 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2otj h LEU 87 Cb 0.65 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2otj h LEU 87 CO 0.04 0.29 0.46 0.00 -0.34 0.00 0.00 178.44 178.90 2otj h ALA 88 N 0.93 0.92 -0.85 1.25 0.00 -1.03 -1.09 119.26 119.40 2otj h ALA 88 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2otj h ALA 88 Cb 0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2otj h ALA 88 CO -0.01 0.28 0.47 0.78 0.00 0.00 0.00 179.25 180.78 2otj h GLY 89 N 0.93 1.25 0.63 0.00 0.00 -0.38 0.13 103.07 105.63 2otj h GLY 89 Ca 0.27 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 2otj h GLY 89 CO -0.08 0.54 -0.01 1.41 0.00 0.00 0.00 176.54 178.40 2otj h LEU 90 N 1.18 0.04 -1.34 3.11 3.38 -0.44 -0.42 115.31 120.82 2otj h LEU 90 Ca 0.30 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2otj h LEU 90 Cb 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2otj h LEU 90 CO -0.05 0.42 0.45 0.03 0.09 0.00 0.00 178.44 179.38 2otj h ARG 91 N -0.34 0.87 0.32 1.13 3.08 -1.06 -1.07 114.38 117.31 2otj h ARG 91 Ca 0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2otj h ARG 91 Cb 0.40 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2otj h ARG 91 CO 0.00 0.58 -0.15 0.00 -1.07 0.00 0.00 179.97 179.33 2otj h ALA 92 N 1.58 -0.43 -0.56 0.04 0.00 -0.56 -2.60 119.26 116.74 2otj h ALA 92 Ca 0.25 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.16 2otj h ALA 92 Cb -0.08 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 2otj h ALA 92 CO -0.06 -0.73 0.09 1.96 0.00 0.00 0.00 179.25 180.51 2otj h GLN 93 N -0.45 0.21 -0.87 0.00 1.08 -0.39 -1.32 115.11 113.37 2otj h GLN 93 Ca -0.04 -0.01 0.20 0.00 -1.45 0.00 0.00 58.65 57.34 2otj h GLN 93 Cb 0.35 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.67 2otj h GLN 93 CO 0.07 0.14 0.58 0.93 -0.95 0.00 0.00 178.83 179.60 2otj h GLU 94 N 0.22 0.38 -0.19 1.46 4.39 -0.85 -0.44 114.58 119.53 2otj h GLU 94 Ca 0.29 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.96 2otj h GLU 94 Cb 0.42 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2otj h GLU 94 CO -0.39 0.25 0.00 0.00 -1.16 0.00 0.00 179.01 177.71 2otj n ALA 95 N -2.53 2.49 -0.23 3.43 0.00 -0.53 -4.89 120.51 118.26 2otj n ALA 95 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2otj n ALA 95 Cb 0.68 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.08 2otj n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otj n GLY 96 N 0.92 0.79 3.70 0.00 0.00 -0.18 -5.04 105.19 105.39 2otj n GLY 96 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2otj n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2otj s VAL 97 N -2.58 3.70 -0.04 1.61 1.01 -1.03 -4.93 120.40 118.13 2otj s VAL 97 Ca 0.00 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.17 2otj s VAL 97 Cb 0.00 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 2otj s VAL 97 CO 0.00 0.04 0.03 -0.62 0.00 0.00 0.00 175.10 174.55 2otj n GLU 98 N 4.74 2.78 -3.92 2.72 1.02 -1.26 -3.91 120.64 122.82 2otj n GLU 98 Ca 0.12 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 2otj n GLU 98 Cb 0.44 -1.12 -0.10 0.00 -0.02 0.00 0.00 31.44 30.64 2otj n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2otj s GLU 99 N -2.15 0.49 0.23 3.49 -1.05 -1.26 -1.44 118.70 117.01 2otj s GLU 99 Ca -0.02 -0.59 -0.16 0.00 -0.15 0.00 0.00 54.97 54.05 2otj s GLU 99 Cb 0.02 0.19 0.01 0.00 -0.44 0.00 0.00 34.13 33.91 2otj s GLU 99 CO 0.19 -0.11 0.53 0.00 0.95 0.00 0.00 175.26 176.82 2otj s ALA 100 N -1.89 -0.68 -0.05 -0.84 0.00 -0.62 -3.99 121.76 113.69 2otj s ALA 100 Ca -0.11 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.40 2otj s ALA 100 Cb -0.06 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 2otj s ALA 100 CO -0.01 -0.85 -0.24 0.08 0.00 0.00 0.00 175.76 174.73 2otj s VAL 101 N -3.94 1.97 -0.09 0.00 1.01 -0.73 -3.88 120.40 114.74 2otj s VAL 101 Ca 0.15 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2otj s VAL 101 Cb -0.01 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2otj s VAL 101 CO 0.03 0.55 1.47 -0.22 0.00 0.00 0.00 175.10 176.93 2otj s LEU 102 N -0.22 4.27 -0.23 3.92 2.96 -1.26 -0.51 118.68 127.61 2otj s LEU 102 Ca -0.01 2.01 -0.05 0.00 -0.22 0.00 0.00 54.13 55.86 2otj s LEU 102 Cb -0.13 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 2otj s LEU 102 CO 0.03 -0.83 0.01 -0.62 -1.32 0.00 0.00 176.35 173.61 2otj s ASP 103 N 2.59 4.67 0.00 3.68 -1.08 -0.22 -4.89 116.67 121.43 2otj s ASP 103 Ca 0.65 -0.30 0.06 0.00 -0.52 0.00 0.00 52.55 52.44 2otj s ASP 103 Cb -0.29 -1.82 0.16 0.00 -1.46 0.00 0.00 42.92 39.51 2otj s ASP 103 CO 0.23 -0.02 1.08 2.30 0.52 0.00 0.00 175.17 179.29 2otj n ILE 104 N 4.79 0.86 -0.73 4.11 -5.35 -1.26 -0.89 119.36 120.90 2otj n ILE 104 Ca -0.17 -0.93 0.00 0.00 -0.27 0.00 0.00 62.75 61.38 2otj n ILE 104 Cb 0.51 0.59 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 2otj n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2otj n GLY 105 N 0.11 2.80 0.12 3.28 0.00 -1.26 -1.58 105.19 108.65 2otj n GLY 105 Ca 0.06 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.98 2otj n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2otj n LEU 106 N 0.00 0.36 -4.88 0.99 4.77 -1.26 -4.87 117.00 112.11 2otj n LEU 106 Ca 0.00 -0.18 -0.30 0.00 -0.03 0.00 0.00 56.01 55.51 2otj n LEU 106 Cb 0.00 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2otj n LEU 106 CO 0.00 0.09 0.61 0.20 -1.33 0.00 0.00 177.39 176.96 2otj s ASN 107 N -1.11 6.28 -0.01 -1.43 -0.87 -0.62 -5.07 114.94 112.12 2otj s ASN 107 Ca 0.09 1.24 -0.15 0.00 -1.57 0.00 0.00 52.86 52.47 2otj s ASN 107 Cb 0.04 -2.39 -0.06 0.00 -0.02 0.00 0.00 41.25 38.83 2otj s ASN 107 CO 0.07 -0.73 0.42 -0.44 -2.57 0.00 0.00 177.10 173.85 2otj s SER 108 N -4.04 6.82 0.00 -1.22 0.01 -1.26 -4.96 113.70 109.05 2otj s SER 108 Ca 0.52 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.75 2otj s SER 108 Cb -0.11 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2otj s SER 108 CO 0.48 0.29 1.02 -2.65 0.41 0.00 0.00 173.24 172.79 2otj n PRO 109 N 1.98 0.60 -1.91 12.44 -0.02 -1.26 -4.90 135.00 141.93 2otj n PRO 109 Ca -0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.93 2otj n PRO 109 Cb 0.52 -1.20 -0.03 0.00 -0.02 0.00 0.00 33.50 32.77 2otj n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2otj s THR 110 N 0.68 2.49 0.37 3.45 2.01 -1.26 -4.93 115.64 118.44 2otj s THR 110 Ca 0.00 0.37 -0.28 0.00 0.31 0.00 0.00 61.69 62.09 2otj s THR 110 Cb 0.00 -3.24 -0.11 0.00 0.01 0.00 0.00 72.50 69.16 2otj s THR 110 CO 0.00 0.04 1.46 -2.65 -0.69 0.00 0.00 174.62 172.78 2otj n PRO 111 N 3.32 2.59 -1.04 4.92 -0.02 -1.26 -2.40 135.00 141.10 2otj n PRO 111 Ca 0.12 0.91 -0.01 0.00 -2.02 0.00 0.00 63.50 62.49 2otj n PRO 111 Cb 0.38 -2.61 -0.01 0.00 -0.02 0.00 0.00 33.50 31.24 2otj n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2otj n GLY 112 N 0.55 0.44 3.77 -1.23 0.00 0.08 -4.91 105.19 103.89 2otj n GLY 112 Ca 0.02 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2otj n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2otj s SER 113 N -2.17 3.12 0.26 1.61 0.01 -1.01 -4.53 113.70 110.99 2otj s SER 113 Ca 0.00 0.90 0.01 0.00 1.31 0.00 0.00 55.95 58.17 2otj s SER 113 Cb 0.00 -1.41 0.34 0.00 0.21 0.00 0.00 66.02 65.16 2otj s SER 113 CO 0.00 -2.79 1.69 0.11 0.41 0.00 0.00 173.24 172.66 2otj h LYS 114 N -1.66 0.55 -0.02 12.44 1.57 -1.95 -1.87 116.57 125.64 2otj h LYS 114 Ca -0.50 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.00 2otj h LYS 114 Cb 1.32 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 2otj h LYS 114 CO 0.57 0.76 -0.26 -0.39 -0.57 0.00 0.00 179.45 179.56 2otj h VAL 115 N 0.48 1.20 0.03 0.50 -1.51 -1.94 0.53 116.25 115.54 2otj h VAL 115 Ca 0.07 -0.94 -0.22 0.00 -1.23 0.00 0.00 66.70 64.38 2otj h VAL 115 Cb 0.70 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 2otj h VAL 115 CO 0.05 0.27 -0.97 -0.26 -1.23 0.00 0.00 177.57 175.43 2otj h PHE 116 N 0.03 0.36 -0.41 5.19 0.05 -1.86 -1.21 116.94 119.08 2otj h PHE 116 Ca 0.00 -0.21 -0.04 0.00 3.82 0.00 0.00 57.97 61.54 2otj h PHE 116 Cb 0.49 -0.03 -0.02 0.00 2.00 0.00 0.00 35.95 38.39 2otj h PHE 116 CO 0.00 1.07 0.10 0.00 -0.18 0.00 0.00 178.31 179.30 2otj h ALA 117 N 0.86 0.54 -0.94 2.45 0.00 -0.37 0.44 119.26 122.24 2otj h ALA 117 Ca -0.06 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2otj h ALA 117 Cb 1.63 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 2otj h ALA 117 CO 0.15 0.22 0.61 0.82 0.00 0.00 0.00 179.25 181.05 2otj h ILE 118 N 0.52 1.15 -0.38 0.00 2.04 0.10 -0.99 117.51 119.97 2otj h ILE 118 Ca 0.13 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2otj h ILE 118 Cb 0.32 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 2otj h ILE 118 CO 0.00 0.21 0.15 -0.61 0.00 0.00 0.00 178.15 177.91 2otj h GLN 119 N 1.18 0.56 -0.88 2.37 4.15 -0.21 -2.32 115.11 119.96 2otj h GLN 119 Ca 0.38 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.70 2otj h GLN 119 Cb 0.02 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.57 2otj h GLN 119 CO -0.13 0.54 0.57 1.49 -1.93 0.00 0.00 178.83 179.38 2otj h GLU 120 N 0.46 1.17 -0.27 1.69 4.81 0.85 -1.37 114.58 121.92 2otj h GLU 120 Ca 0.12 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2otj h GLU 120 Cb 0.19 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2otj h GLU 120 CO -0.01 0.78 0.15 0.78 -0.73 0.00 0.00 179.01 179.99 2otj h GLY 121 N 1.20 0.40 1.00 1.92 0.00 -1.01 -0.13 103.07 106.45 2otj h GLY 121 Ca 0.32 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.48 2otj h GLY 121 CO -0.07 0.17 0.47 0.00 0.00 0.00 0.00 176.54 177.11 2otj h ALA 122 N 1.04 0.91 -0.61 3.60 0.00 -1.05 0.23 119.26 123.36 2otj h ALA 122 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2otj h ALA 122 Cb 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2otj h ALA 122 CO -0.02 0.32 0.29 0.82 0.00 0.00 0.00 179.25 180.67 2otj h ILE 123 N 0.96 1.21 0.00 0.00 2.04 -0.92 -2.21 117.51 118.60 2otj h ILE 123 Ca 0.26 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 2otj h ILE 123 Cb -0.11 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2otj h ILE 123 CO -0.06 0.25 -0.28 0.44 0.00 0.00 0.00 178.15 178.50 2otj h ASP 124 N 0.84 0.00 0.03 1.72 3.32 -0.47 -1.79 116.42 120.07 2otj h ASP 124 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2otj h ASP 124 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2otj h ASP 124 CO -0.03 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.77 2otj n ALA 125 N -2.34 2.26 0.00 3.45 0.00 0.02 -4.82 120.51 119.08 2otj n ALA 125 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2otj n ALA 125 Cb 0.38 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2otj n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otj n GLY 126 N 0.32 0.89 3.79 0.00 0.00 -0.68 -4.54 105.19 104.97 2otj n GLY 126 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2otj n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2otj s LEU 127 N 0.00 4.52 -0.56 0.99 2.96 -1.04 -4.98 118.68 120.57 2otj s LEU 127 Ca 0.00 1.37 -0.21 0.00 -0.22 0.00 0.00 54.13 55.06 2otj s LEU 127 Cb 0.00 -3.03 0.06 0.00 0.50 0.00 0.00 46.19 43.72 2otj s LEU 127 CO 0.00 0.21 0.79 -1.81 -1.32 0.00 0.00 176.35 174.23 2otj s ASP 128 N -0.90 6.24 -0.08 3.68 1.01 -0.52 -4.26 116.67 121.84 2otj s ASP 128 Ca 0.32 -0.84 0.02 0.00 0.71 0.00 0.00 52.55 52.76 2otj s ASP 128 Cb -0.20 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.38 2otj s ASP 128 CO 0.21 -1.13 -0.13 -0.63 0.21 0.00 0.00 175.17 173.70 2otj s ILE 129 N 3.30 1.24 -0.06 0.77 1.01 -1.26 -1.59 121.20 124.61 2otj s ILE 129 Ca 0.20 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 2otj s ILE 129 Cb -0.17 -1.14 -0.08 0.00 0.01 0.00 0.00 42.46 41.07 2otj s ILE 129 CO 0.13 0.38 2.04 -2.65 0.00 0.00 0.00 174.94 174.84 2otj n PRO 130 N 3.98 2.47 -1.97 2.79 -0.02 -1.25 -4.93 135.00 136.08 2otj n PRO 130 Ca -0.21 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2otj n PRO 130 Cb 0.51 -3.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.00 2otj n PRO 130 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2otj n HIS 131 N 8.60 0.00 -3.40 6.00 1.44 -1.26 -4.71 115.22 121.89 2otj n HIS 131 Ca 0.24 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.78 2otj n HIS 131 Cb 0.40 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.41 2otj n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 2otj s ASN 132 N -0.97 1.50 0.45 4.39 3.84 -1.26 -5.05 114.94 117.85 2otj s ASN 132 Ca 0.00 -0.62 0.26 0.00 0.21 0.00 0.00 52.86 52.71 2otj s ASN 132 Cb 0.00 0.56 1.30 0.00 -0.55 0.00 0.00 41.25 42.55 2otj s ASN 132 CO 0.00 -0.38 1.75 0.44 -2.79 0.00 0.00 177.10 176.12 2otj h ASP 133 N 8.26 0.28 -0.30 -4.21 3.32 -2.01 -0.96 116.42 120.81 2otj h ASP 133 Ca -0.14 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2otj h ASP 133 Cb 1.09 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2otj h ASP 133 CO 0.32 0.01 0.00 -0.90 -1.72 0.00 0.00 179.24 176.95 2otj n ASP 134 N -4.51 1.82 -0.00 6.45 5.68 -1.26 -3.06 116.55 121.68 2otj n ASP 134 Ca 0.28 -2.05 0.07 0.00 -0.50 0.00 0.00 54.79 52.59 2otj n ASP 134 Cb 1.11 -0.26 -0.09 0.00 -1.14 0.00 0.00 41.12 40.74 2otj n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 2otj n VAL 135 N 0.38 0.00 -2.96 2.12 3.14 -0.36 -4.95 118.33 115.70 2otj n VAL 135 Ca 0.10 -0.21 -0.35 0.00 -2.96 0.00 0.00 64.34 60.92 2otj n VAL 135 Cb 0.31 0.76 -0.06 0.00 -1.06 0.00 0.00 33.84 33.79 2otj n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2otj s LEU 136 N -3.05 4.24 0.81 6.55 1.43 -1.17 -0.75 118.68 126.74 2otj s LEU 136 Ca 0.02 1.58 -0.13 0.00 -1.03 0.00 0.00 54.13 54.58 2otj s LEU 136 Cb 0.10 -3.95 0.09 0.00 0.03 0.00 0.00 46.19 42.46 2otj s LEU 136 CO 0.59 -0.10 1.19 0.00 0.23 0.00 0.00 176.35 178.26 2otj s ALA 137 N -1.72 1.84 0.13 4.21 0.00 -1.26 -4.58 121.76 120.37 2otj s ALA 137 Ca 0.50 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 2otj s ALA 137 Cb -0.15 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 2otj s ALA 137 CO 0.20 -2.29 1.16 0.16 0.00 0.00 0.00 175.76 174.99 2otj s ASP 138 N -2.29 7.15 0.10 0.00 -4.77 -1.26 -4.86 116.67 110.75 2otj s ASP 138 Ca 0.72 2.09 0.02 0.00 -3.30 0.00 0.00 52.55 52.07 2otj s ASP 138 Cb -0.27 -2.59 0.27 0.00 -1.09 0.00 0.00 42.92 39.24 2otj s ASP 138 CO 0.51 -0.35 0.50 1.87 0.70 0.00 0.00 175.17 178.40 2otj n TRP 139 N 3.03 0.23 -0.19 2.11 -0.00 -1.26 -0.26 117.44 121.10 2otj n TRP 139 Ca 0.06 0.38 -0.08 0.00 -0.00 0.00 0.00 57.50 57.86 2otj n TRP 139 Cb 0.46 -0.76 0.02 0.00 -0.00 0.00 0.00 31.31 31.03 2otj n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 2otj h GLN 140 N 0.00 0.78 0.00 5.87 1.08 -2.00 -2.52 115.11 118.32 2otj h GLN 140 Ca 0.21 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 57.22 2otj h GLN 140 Cb 0.45 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 2otj h GLN 140 CO -0.29 0.67 -0.28 -0.09 -0.95 0.00 0.00 178.83 177.89 2otj h ARG 141 N 0.72 0.00 -0.57 1.46 2.43 -1.00 -1.90 114.38 115.52 2otj h ARG 141 Ca 0.18 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.26 2otj h ARG 141 Cb 0.17 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2otj h ARG 141 CO -0.02 0.28 0.01 1.15 -1.51 0.00 0.00 179.97 179.87 2otj h THR 142 N 0.00 1.26 -0.10 0.20 2.02 -1.38 -2.28 112.91 112.63 2otj h THR 142 Ca -0.00 -1.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.02 2otj h THR 142 Cb 0.49 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2otj h THR 142 CO 0.04 0.40 -0.16 0.03 0.37 0.00 0.00 175.52 176.20 2otj h ARG 143 N 0.91 0.15 0.00 6.66 3.08 -0.95 -2.86 114.38 121.37 2otj h ARG 143 Ca 0.17 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2otj h ARG 143 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2otj h ARG 143 CO 0.03 0.31 0.00 0.41 -1.07 0.00 0.00 179.97 179.65 2otj n GLY 144 N -0.90 1.19 0.17 0.04 0.00 -0.86 -4.62 105.19 100.21 2otj n GLY 144 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 2otj n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj h ALA 145 N 0.00 0.11 -0.62 4.61 0.00 -1.60 -3.00 119.26 118.77 2otj h ALA 145 Ca 0.00 -0.62 0.14 0.00 0.00 0.00 0.00 54.91 54.43 2otj h ALA 145 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2otj h ALA 145 CO 0.00 0.50 0.43 1.12 0.00 0.00 0.00 179.25 181.30 2otj h HIS 146 N 0.14 0.25 0.11 0.00 2.07 -1.84 -0.52 115.15 115.35 2otj h HIS 146 Ca -0.09 0.01 -0.27 0.00 -2.85 0.00 0.00 60.37 57.16 2otj h HIS 146 Cb 1.46 -0.08 -0.00 0.00 2.57 0.00 0.00 27.41 31.36 2otj h HIS 146 CO 0.12 0.10 -1.24 0.97 -3.07 0.00 0.00 177.93 174.82 2otj h ILE 147 N 0.22 1.50 -0.38 6.12 2.10 -1.93 -2.45 117.51 122.68 2otj h ILE 147 Ca 0.30 -3.09 -0.09 0.00 1.08 0.00 0.00 64.86 63.06 2otj h ILE 147 Cb 0.87 2.92 -0.01 0.00 -1.09 0.00 0.00 36.82 39.51 2otj h ILE 147 CO -0.06 0.90 -0.11 0.00 -1.08 0.00 0.00 178.15 177.80 2otj h ALA 148 N 0.62 0.53 0.00 0.18 0.00 -1.06 -2.44 119.26 117.10 2otj h ALA 148 Ca -0.13 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2otj h ALA 148 Cb 1.95 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2otj h ALA 148 CO 0.19 0.40 -0.23 0.93 0.00 0.00 0.00 179.25 180.54 2otj h GLU 149 N 0.55 0.00 -0.09 0.00 5.08 -1.22 -2.15 114.58 116.74 2otj h GLU 149 Ca 0.09 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 2otj h GLU 149 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2otj h GLU 149 CO 0.04 0.23 -0.60 -0.92 -1.00 0.00 0.00 179.01 176.76 2otj h TYR 150 N 0.00 0.40 0.00 4.33 3.20 -1.18 -2.65 116.97 121.07 2otj h TYR 150 Ca -0.00 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.71 2otj h TYR 150 Cb 0.67 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.87 2otj h TYR 150 CO 0.00 0.84 0.00 0.22 -1.64 0.00 0.00 178.16 177.58 2otj h ASP 151 N 0.23 0.00 0.44 -2.11 1.82 -0.92 -2.45 116.42 113.44 2otj h ASP 151 Ca -0.01 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.54 2otj h ASP 151 Cb 1.12 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.12 2otj h ASP 151 CO 0.10 0.00 -0.45 -0.08 -1.61 0.00 0.00 179.24 177.20 2otj h GLU 152 N 0.00 0.01 -1.97 0.28 4.57 -1.08 -2.31 114.58 114.08 2otj h GLU 152 Ca 0.00 -0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.81 2otj h GLU 152 Cb 0.66 -0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.12 2otj h GLU 152 CO 0.00 0.46 0.10 1.04 -1.18 0.00 0.00 179.01 179.43 2otj n GLN 153 N -4.00 2.18 0.00 1.92 6.02 -0.92 -4.82 117.38 117.76 2otj n GLN 153 Ca -0.02 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 55.22 2otj n GLN 153 Cb 0.48 -2.03 0.00 0.00 1.02 0.00 0.00 30.24 29.71 2otj n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2otj n LEU 154 N 1.44 0.00 0.00 1.08 7.94 -0.87 -4.80 117.00 121.79 2otj n LEU 154 Ca 0.44 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 2otj n LEU 154 Cb 0.68 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.63 2otj n LEU 154 CO 0.25 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.74 2otj n GLU 155 N 0.00 0.00 -3.69 1.96 2.13 -1.26 -4.81 120.64 114.97 2otj n GLU 155 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 2otj n GLU 155 Cb 0.00 -0.10 -0.10 0.00 0.27 0.00 0.00 31.44 31.51 2otj n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2otj s GLU 156 N -0.01 0.46 0.35 5.31 2.02 -1.26 -5.15 118.70 120.42 2otj s GLU 156 Ca 0.00 0.86 -0.26 0.00 0.02 0.00 0.00 54.97 55.59 2otj s GLU 156 Cb 0.00 0.02 -0.12 0.00 0.10 0.00 0.00 34.13 34.13 2otj s GLU 156 CO 0.00 -0.15 0.98 -2.30 0.02 0.00 0.00 175.26 173.81 2otj n PRO 157 N 4.19 1.32 0.08 0.39 -0.02 -1.26 -4.93 135.00 134.77 2otj n PRO 157 Ca -0.22 0.47 -0.16 0.00 -2.02 0.00 0.00 63.50 61.57 2otj n PRO 157 Cb 0.56 -1.91 -0.08 0.00 -0.02 0.00 0.00 33.50 32.05 2otj n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2otj h LEU 158 N 1.73 0.60 -9.32 2.45 5.85 -1.92 -3.44 115.31 111.27 2otj h LEU 158 Ca -0.42 -0.52 -0.61 0.00 0.84 0.00 0.00 57.88 57.17 2otj h LEU 158 Cb 1.34 -0.19 -0.11 0.00 0.37 0.00 0.00 40.66 42.07 2otj h LEU 158 CO 0.58 1.34 -0.49 -0.31 -0.34 0.00 0.00 178.44 179.22 2otj s TYR 159 N -3.11 3.43 -0.05 1.25 1.51 -1.26 -5.02 117.35 114.10 2otj s TYR 159 Ca -0.06 0.34 -0.10 0.00 -1.01 0.00 0.00 57.07 56.24 2otj s TYR 159 Cb 0.08 -2.12 -0.06 0.00 -0.11 0.00 0.00 41.96 39.75 2otj s TYR 159 CO 0.89 0.35 0.46 1.03 -1.11 0.00 0.00 175.55 177.17 2otj h SER 160 N 6.40 -0.31 -4.15 2.29 0.87 -1.98 -3.45 113.55 113.22 2otj h SER 160 Ca -0.43 0.01 -0.52 0.00 -1.23 0.00 0.00 61.79 59.62 2otj h SER 160 Cb 1.16 0.08 0.11 0.00 -0.44 0.00 0.00 62.40 63.32 2otj h SER 160 CO 0.73 0.08 0.41 -0.83 -0.53 0.00 0.00 176.83 176.69 2otj s GLY 161 N -2.92 2.41 -0.90 5.77 0.00 -1.26 -4.90 107.32 105.52 2otj s GLY 161 Ca -0.05 0.77 -0.25 0.00 0.00 0.00 0.00 44.72 45.19 2otj s GLY 161 CO 0.16 1.15 1.38 -0.35 0.00 0.00 0.00 173.10 175.44 2otj s ASP 162 N -2.10 6.35 -0.63 1.64 2.15 -1.26 -4.79 116.67 118.02 2otj s ASP 162 Ca 0.72 -1.02 0.05 0.00 0.43 0.00 0.00 52.55 52.72 2otj s ASP 162 Cb -0.25 -2.57 0.17 0.00 -0.30 0.00 0.00 42.92 39.97 2otj s ASP 162 CO 0.38 -1.65 0.45 0.12 -0.17 0.00 0.00 175.17 174.29 2otj s PHE 163 N 5.32 3.07 0.00 -5.34 5.36 -1.26 -5.07 117.98 120.06 2otj s PHE 163 Ca 0.41 -3.13 0.00 0.00 -0.96 0.00 0.00 56.93 53.26 2otj s PHE 163 Cb -0.03 -2.38 0.00 0.00 -0.34 0.00 0.00 43.02 40.27 2otj s PHE 163 CO 0.01 -0.61 0.00 -0.40 -1.46 0.00 0.00 175.22 172.75 2otj n ASP 164 N 2.24 -0.39 0.00 6.13 5.68 -1.26 -4.59 116.55 124.36 2otj n ASP 164 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.49 2otj n ASP 164 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 2otj n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2otj n ALA 165 N 3.22 2.91 1.42 2.12 0.00 -1.26 -4.83 120.51 124.09 2otj n ALA 165 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2otj n ALA 165 Cb 0.00 0.29 0.60 0.00 0.00 0.00 0.00 19.45 20.34 2otj n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2otj n ALA 166 N -2.73 2.77 -1.05 0.00 0.00 -1.26 -4.67 120.51 113.57 2otj n ALA 166 Ca 0.00 -0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.29 2otj n ALA 166 Cb 0.29 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.35 2otj n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2otj n ASP 167 N -0.89 -5.80 -3.68 0.00 8.00 -1.26 -4.78 116.55 108.13 2otj n ASP 167 Ca 0.15 1.01 -0.29 0.00 0.71 0.00 0.00 54.79 56.37 2otj n ASP 167 Cb 0.28 -3.57 -0.15 0.00 -0.02 0.00 0.00 41.12 37.65 2otj n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2otj s LEU 168 N -6.42 1.42 0.37 0.64 1.43 -1.26 -4.91 118.68 109.95 2otj s LEU 168 Ca 0.00 -1.28 0.27 0.00 -1.03 0.00 0.00 54.13 52.09 2otj s LEU 168 Cb 0.00 -0.63 0.94 0.00 0.03 0.00 0.00 46.19 46.53 2otj s LEU 168 CO 0.00 -0.39 1.79 -0.65 0.23 0.00 0.00 176.35 177.33 2otj h PRO 169 N 8.23 0.00 0.00 1.29 0.11 -1.84 -1.90 132.00 137.90 2otj h PRO 169 Ca -0.16 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.90 2otj h PRO 169 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2otj h PRO 169 CO 0.42 0.00 -0.25 0.93 -0.21 0.00 0.00 178.00 178.89 2otj h GLU 170 N 0.00 0.00 -0.54 1.05 3.07 -1.90 -1.39 114.58 114.86 2otj h GLU 170 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 2otj h GLU 170 Cb 0.60 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 2otj h GLU 170 CO 0.00 0.25 -0.06 1.25 -1.40 0.00 0.00 179.01 179.04 2otj h HIS 171 N 0.00 1.08 -0.31 4.33 2.76 -1.73 -1.93 115.15 119.36 2otj h HIS 171 Ca -0.00 -0.20 0.03 0.00 -2.20 0.00 0.00 60.37 58.00 2otj h HIS 171 Cb 0.51 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 2otj h HIS 171 CO 0.00 0.99 0.10 0.35 -1.30 0.00 0.00 177.93 178.07 2otj h PHE 172 N 0.89 0.18 -0.76 5.26 3.57 -1.33 -1.22 116.94 123.53 2otj h PHE 172 Ca 0.15 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.71 2otj h PHE 172 Cb 0.61 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 2otj h PHE 172 CO 0.04 0.07 0.47 -0.44 -2.23 0.00 0.00 178.31 176.22 2otj h ASP 173 N 0.23 0.76 -0.91 0.41 3.32 -1.20 -0.16 116.42 118.88 2otj h ASP 173 Ca 0.14 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.21 2otj h ASP 173 Cb 0.11 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.46 2otj h ASP 173 CO -0.15 0.51 0.60 -0.33 -1.72 0.00 0.00 179.24 178.15 2otj h GLU 174 N 0.90 1.16 -0.07 3.56 5.08 -0.64 -0.75 114.58 123.83 2otj h GLU 174 Ca 0.32 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 2otj h GLU 174 Cb 0.07 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2otj h GLU 174 CO -0.13 0.77 -0.26 1.25 -1.00 0.00 0.00 179.01 179.64 2otj h LEU 175 N 1.20 0.34 -0.56 1.33 5.85 -0.52 -2.20 115.31 120.75 2otj h LEU 175 Ca 0.34 -0.63 0.07 0.00 0.84 0.00 0.00 57.88 58.50 2otj h LEU 175 Cb -0.09 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 2otj h LEU 175 CO -0.09 0.92 0.23 -0.09 -0.34 0.00 0.00 178.44 179.07 2otj h ARG 176 N -0.21 0.42 -0.43 1.25 2.43 -0.91 -1.63 114.38 115.29 2otj h ARG 176 Ca -0.01 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2otj h ARG 176 Cb 0.90 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.30 2otj h ARG 176 CO 0.05 0.28 0.15 1.49 -1.51 0.00 0.00 179.97 180.43 2otj h GLU 177 N 0.43 0.30 -0.85 0.20 4.57 -1.15 -1.13 114.58 116.96 2otj h GLU 177 Ca 0.27 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.44 2otj h GLU 177 Cb 0.28 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 2otj h GLU 177 CO -0.25 0.20 0.56 1.15 -1.18 0.00 0.00 179.01 179.49 2otj h THR 178 N 0.31 1.22 -0.06 0.32 2.02 -0.68 -2.14 112.91 113.90 2otj h THR 178 Ca 0.20 -0.41 -0.21 0.00 0.77 0.00 0.00 66.41 66.76 2otj h THR 178 Cb 0.20 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 2otj h THR 178 CO -0.21 0.22 -0.84 -0.07 0.37 0.00 0.00 175.52 174.99 2otj h LEU 179 N 1.16 0.65 -1.39 2.58 3.38 -0.86 -3.17 115.31 117.66 2otj h LEU 179 Ca 0.31 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2otj h LEU 179 Cb -0.12 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 2otj h LEU 179 CO -0.07 1.24 -0.08 -0.07 0.09 0.00 0.00 178.44 179.55 2otj h LEU 180 N 0.33 0.00 -9.91 1.67 4.07 -0.90 -3.44 115.31 107.13 2otj h LEU 180 Ca -0.06 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.37 2otj h LEU 180 Cb 1.45 0.00 0.09 0.00 1.08 0.00 0.00 40.66 43.28 2otj h LEU 180 CO 0.15 0.08 0.73 -0.62 -1.08 0.00 0.00 178.44 177.70 2otj s ASP 181 N -5.87 6.50 0.16 -0.43 -1.08 -0.83 -4.94 116.67 110.18 2otj s ASP 181 Ca 0.01 2.91 -0.16 0.00 -0.52 0.00 0.00 52.55 54.79 2otj s ASP 181 Cb 0.10 -2.66 0.08 0.00 -1.46 0.00 0.00 42.92 38.98 2otj s ASP 181 CO 0.57 -0.75 1.74 1.23 0.52 0.00 0.00 175.17 178.49 2otj h GLY 182 N 3.27 0.47 0.00 2.66 0.00 -1.88 -3.38 103.07 104.21 2otj h GLY 182 Ca -0.50 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2otj h GLY 182 CO 0.66 0.01 0.00 1.22 0.00 0.00 0.00 176.54 178.43 2otj n ASP 183 N -5.04 0.00 -0.86 0.19 8.00 -1.26 -4.98 116.55 112.60 2otj n ASP 183 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2otj n ASP 183 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2otj n ASP 183 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2otj n ILE 184 N 0.00 0.00 -2.13 0.53 3.06 -1.26 -4.69 119.36 114.86 2otj n ILE 184 Ca 0.00 0.00 -0.30 0.00 -2.50 0.00 0.00 62.75 59.95 2otj n ILE 184 Cb 0.00 -0.35 -0.05 0.00 0.54 0.00 0.00 39.64 39.78 2otj n ILE 184 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 2otj s GLU 185 N 0.00 2.71 0.00 9.51 2.02 -1.26 -5.15 118.70 126.53 2otj s GLU 185 Ca 0.00 -0.81 0.14 0.00 0.02 0.00 0.00 54.97 54.33 2otj s GLU 185 Cb 0.00 -5.19 0.85 0.00 0.10 0.00 0.00 34.13 29.89 2otj s GLU 185 CO 0.00 -3.44 1.27 1.28 0.02 0.00 0.00 175.26 174.39