#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1d s MET 1 N 0.00 2.64 0.50 4.33 0.00 -0.23 -4.96 119.30 121.58 1i1d s MET 1 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 55.69 54.73 1i1d s MET 1 Cb 0.00 -2.04 -0.07 0.00 0.00 0.00 0.00 34.83 32.72 1i1d s MET 1 CO 0.00 0.15 1.10 -1.12 0.00 0.00 0.00 175.02 175.15 1i1d s SER 2 N 0.38 6.06 0.29 1.11 0.01 -1.26 -0.71 113.70 119.58 1i1d s SER 2 Ca -0.17 2.11 0.04 0.00 1.31 0.00 0.00 55.95 59.24 1i1d s SER 2 Cb -0.17 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.42 1i1d s SER 2 CO 0.07 -0.98 0.03 -0.76 0.41 0.00 0.00 173.24 172.01 1i1d s LEU 3 N -3.50 2.15 0.72 2.44 1.43 0.47 -4.87 118.68 117.53 1i1d s LEU 3 Ca 0.69 -1.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.32 1i1d s LEU 3 Cb -0.22 -0.33 0.03 0.00 0.03 0.00 0.00 46.19 45.70 1i1d s LEU 3 CO 0.26 -0.57 1.21 -2.84 0.23 0.00 0.00 176.35 174.64 1i1d s PRO 4 N -3.88 2.19 -1.51 1.29 0.02 -1.26 -3.72 135.00 128.12 1i1d s PRO 4 Ca 0.34 1.77 -0.02 0.00 0.02 0.00 0.00 61.00 63.11 1i1d s PRO 4 Cb 0.07 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.76 1i1d s PRO 4 CO 0.13 -1.80 0.32 -0.25 -0.33 0.00 0.00 177.00 175.07 1i1d n ASP 5 N -2.65 -5.64 0.00 2.53 8.00 -1.26 -3.59 116.55 113.94 1i1d n ASP 5 Ca 0.13 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1i1d n ASP 5 Cb 0.50 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 37.04 1i1d n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1d n GLY 6 N -1.27 0.55 3.47 0.44 0.00 -1.25 -4.97 105.19 102.14 1i1d n GLY 6 Ca -0.16 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 1i1d n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i1d s PHE 7 N -2.00 2.29 0.06 1.61 0.40 -1.24 -0.73 117.98 118.37 1i1d s PHE 7 Ca 0.00 -0.34 -0.03 0.00 -0.60 0.00 0.00 56.93 55.96 1i1d s PHE 7 Cb 0.00 -1.00 -0.03 0.00 0.51 0.00 0.00 43.02 42.50 1i1d s PHE 7 CO 0.00 0.71 0.03 1.52 0.70 0.00 0.00 175.22 178.19 1i1d s TYR 8 N -2.52 0.41 0.03 0.36 -0.85 -0.61 -0.39 117.35 113.78 1i1d s TYR 8 Ca 0.30 -0.93 0.08 0.00 -0.52 0.00 0.00 57.07 56.00 1i1d s TYR 8 Cb -0.05 -0.29 -0.02 0.00 0.38 0.00 0.00 41.96 41.97 1i1d s TYR 8 CO 0.15 -0.43 -0.23 -1.50 -1.52 0.00 0.00 175.55 172.03 1i1d s ILE 9 N -3.89 1.83 0.21 -3.49 2.07 0.12 -0.44 121.20 117.61 1i1d s ILE 9 Ca 0.06 -1.19 -0.17 0.00 -1.41 0.00 0.00 60.65 57.94 1i1d s ILE 9 Cb 0.07 -1.56 0.02 0.00 0.13 0.00 0.00 42.46 41.12 1i1d s ILE 9 CO -0.10 0.33 0.54 0.00 -1.91 0.00 0.00 174.94 173.80 1i1d s ARG 10 N -1.02 1.45 0.62 3.50 1.70 -0.74 -1.06 118.95 123.39 1i1d s ARG 10 Ca 0.09 -0.92 -0.16 0.00 -0.47 0.00 0.00 55.73 54.27 1i1d s ARG 10 Cb -0.09 0.53 -0.02 0.00 -0.57 0.00 0.00 34.95 34.80 1i1d s ARG 10 CO 0.01 -0.62 1.11 1.03 -1.08 0.00 0.00 175.30 175.75 1i1d s ARG 11 N -3.89 3.01 0.50 3.89 0.52 -1.26 -1.21 118.95 120.50 1i1d s ARG 11 Ca 0.11 1.45 -0.23 0.00 -0.52 0.00 0.00 55.73 56.54 1i1d s ARG 11 Cb -0.02 -1.97 -0.06 0.00 0.52 0.00 0.00 34.95 33.42 1i1d s ARG 11 CO -0.00 -1.09 1.27 1.41 0.02 0.00 0.00 175.30 176.90 1i1d s MET 12 N -3.84 3.48 0.30 3.54 -2.45 0.71 -4.72 119.30 116.32 1i1d s MET 12 Ca 0.69 2.04 0.07 0.00 -1.25 0.00 0.00 55.69 57.23 1i1d s MET 12 Cb -0.21 -2.37 -0.06 0.00 1.25 0.00 0.00 34.83 33.44 1i1d s MET 12 CO 0.37 -0.85 -0.05 -1.21 1.05 0.00 0.00 175.02 174.32 1i1d s GLU 13 N -2.75 1.61 0.30 4.11 2.02 -1.26 -5.04 118.70 117.69 1i1d s GLU 13 Ca 0.67 -1.83 0.05 0.00 0.02 0.00 0.00 54.97 53.87 1i1d s GLU 13 Cb -0.35 -1.21 0.75 0.00 0.10 0.00 0.00 34.13 33.43 1i1d s GLU 13 CO 0.43 0.02 1.71 0.93 0.02 0.00 0.00 175.26 178.37 1i1d h GLU 14 N 2.21 0.47 0.00 1.61 5.08 -1.93 -1.98 114.58 120.03 1i1d h GLU 14 Ca -0.40 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1i1d h GLU 14 Cb 1.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1i1d h GLU 14 CO 0.68 0.31 0.00 0.41 -1.00 0.00 0.00 179.01 179.42 1i1d n GLY 15 N -1.33 -0.94 0.49 -3.84 0.00 -1.26 -3.72 105.19 94.59 1i1d n GLY 15 Ca 0.23 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1i1d n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i1d n ASP 16 N -0.66 1.55 -0.29 1.61 8.00 -0.74 -4.61 116.55 121.41 1i1d n ASP 16 Ca 0.07 -1.50 -0.07 0.00 0.71 0.00 0.00 54.79 54.00 1i1d n ASP 16 Cb 0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1i1d n ASP 16 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1i1d h LEU 17 N 2.42 -1.63 -0.11 0.64 5.85 -1.78 0.51 115.31 121.21 1i1d h LEU 17 Ca 0.00 0.28 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1i1d h LEU 17 Cb 0.52 0.76 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1i1d h LEU 17 CO 0.00 -0.31 0.06 -0.08 -0.34 0.00 0.00 178.44 177.78 1i1d h GLU 18 N -0.14 0.16 -0.63 1.25 4.57 -1.93 0.26 114.58 118.12 1i1d h GLU 18 Ca 0.21 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1i1d h GLU 18 Cb 0.54 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 1i1d h GLU 18 CO -0.81 0.18 0.10 1.96 -1.18 0.00 0.00 179.01 179.27 1i1d h GLN 19 N 0.09 1.04 -0.43 1.92 4.20 -1.73 -0.42 115.11 119.78 1i1d h GLN 19 Ca 0.04 -0.28 -0.13 0.00 0.06 0.00 0.00 58.65 58.34 1i1d h GLN 19 Cb 0.07 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1i1d h GLN 19 CO -0.01 0.97 -0.25 0.28 -0.67 0.00 0.00 178.83 179.15 1i1d h VAL 20 N 0.95 1.27 -0.41 -0.54 2.07 0.17 -1.98 116.25 117.79 1i1d h VAL 20 Ca 0.19 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.31 1i1d h VAL 20 Cb 0.43 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1i1d h VAL 20 CO 0.01 0.48 0.26 0.74 0.02 0.00 0.00 177.57 179.08 1i1d h THR 21 N 0.77 1.08 -0.76 2.57 2.02 -0.15 0.10 112.91 118.55 1i1d h THR 21 Ca 0.09 -0.18 0.08 0.00 0.77 0.00 0.00 66.41 67.17 1i1d h THR 21 Cb 0.81 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 1i1d h THR 21 CO 0.07 0.10 0.50 -0.08 0.37 0.00 0.00 175.52 176.47 1i1d h GLU 22 N 0.53 0.73 0.04 6.66 4.57 -0.84 -0.88 114.58 125.39 1i1d h GLU 22 Ca 0.15 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.17 1i1d h GLU 22 Cb -0.04 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 28.40 1i1d h GLU 22 CO -0.05 0.48 -0.48 1.15 -1.18 0.00 0.00 179.01 178.94 1i1d h THR 23 N 0.75 1.53 0.00 0.32 2.02 -0.70 -3.32 112.91 113.50 1i1d h THR 23 Ca 0.34 -2.18 -0.02 0.00 0.77 0.00 0.00 66.41 65.31 1i1d h THR 23 Cb 0.33 2.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1i1d h THR 23 CO -0.12 0.61 -0.11 -0.07 0.37 0.00 0.00 175.52 176.20 1i1d h LEU 24 N -0.39 0.00 -1.97 2.58 3.38 -0.53 -2.61 115.31 115.77 1i1d h LEU 24 Ca -0.07 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.15 1i1d h LEU 24 Cb 1.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1i1d h LEU 24 CO 0.09 0.11 0.65 0.11 0.09 0.00 0.00 178.44 179.49 1i1d h LYS 25 N 0.00 0.00 0.00 1.13 1.57 -1.27 0.42 116.57 118.42 1i1d h LYS 25 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1i1d h LYS 25 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1i1d h LYS 25 CO 0.01 0.00 -0.24 -0.39 -0.57 0.00 0.00 179.45 178.27 1i1d h VAL 26 N 0.00 0.55 0.00 0.50 -1.51 -1.68 -3.31 116.25 110.81 1i1d h VAL 26 Ca 0.41 -1.20 -0.08 0.00 -1.23 0.00 0.00 66.70 64.60 1i1d h VAL 26 Cb 1.71 1.83 -0.01 0.00 -2.13 0.00 0.00 31.29 32.68 1i1d h VAL 26 CO -0.00 0.23 -0.59 0.25 -1.23 0.00 0.00 177.57 176.23 1i1d h LEU 27 N 0.00 0.00 -7.99 4.19 5.85 -0.38 -3.50 115.31 113.47 1i1d h LEU 27 Ca -0.00 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.37 1i1d h LEU 27 Cb 0.81 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1i1d h LEU 27 CO 0.03 1.01 0.29 -0.89 -0.34 0.00 0.00 178.44 178.54 1i1d s THR 28 N -2.16 0.00 0.28 1.05 2.01 -0.87 -5.14 115.64 110.81 1i1d s THR 28 Ca -0.18 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.56 1i1d s THR 28 Cb 0.02 -2.76 -0.10 0.00 0.01 0.00 0.00 72.50 69.67 1i1d s THR 28 CO 0.39 0.00 1.29 -0.89 -0.69 0.00 0.00 174.62 174.73 1i1d s THR 29 N -2.51 2.95 -0.23 -0.82 2.01 -1.26 -4.04 115.64 111.74 1i1d s THR 29 Ca 0.15 0.88 -0.10 0.00 0.31 0.00 0.00 61.69 62.93 1i1d s THR 29 Cb -0.05 -3.56 -0.10 0.00 0.01 0.00 0.00 72.50 68.79 1i1d s THR 29 CO 0.10 0.18 -0.29 0.52 -0.69 0.00 0.00 174.62 174.45 1i1d n VAL 30 N 1.55 1.26 -3.53 3.82 0.31 -1.26 -5.03 118.33 115.45 1i1d n VAL 30 Ca 0.02 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1i1d n VAL 30 Cb 0.42 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 1i1d n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i1d n GLY 31 N 1.64 -1.56 3.71 2.92 0.00 -1.26 -4.87 105.19 105.77 1i1d n GLY 31 Ca -0.45 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 1i1d n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i1d s THR 32 N 0.00 4.83 -0.12 2.61 2.01 -1.26 -5.05 115.64 118.65 1i1d s THR 32 Ca 0.00 2.03 -0.05 0.00 0.31 0.00 0.00 61.69 63.98 1i1d s THR 32 Cb 0.00 -4.30 0.06 0.00 0.01 0.00 0.00 72.50 68.27 1i1d s THR 32 CO 0.00 0.15 0.25 -0.63 -0.69 0.00 0.00 174.62 173.70 1i1d s ILE 33 N 1.08 -0.32 0.42 1.82 1.01 -1.26 -5.15 121.20 118.79 1i1d s ILE 33 Ca 0.52 0.26 -0.22 0.00 0.00 0.00 0.00 60.65 61.21 1i1d s ILE 33 Cb -0.21 -0.41 -0.10 0.00 0.01 0.00 0.00 42.46 41.74 1i1d s ILE 33 CO 0.27 0.11 0.98 0.42 0.00 0.00 0.00 174.94 176.72 1i1d s THR 34 N 2.17 4.15 0.37 2.92 -4.23 -1.26 -4.93 115.64 114.84 1i1d s THR 34 Ca -0.01 1.46 0.06 0.00 -1.18 0.00 0.00 61.69 62.02 1i1d s THR 34 Cb -0.12 -3.66 0.29 0.00 1.34 0.00 0.00 72.50 70.35 1i1d s THR 34 CO -0.08 -0.17 1.98 1.55 -0.54 0.00 0.00 174.62 177.36 1i1d h PRO 35 N 2.17 0.71 -0.43 3.99 0.13 -1.99 -1.12 132.00 135.47 1i1d h PRO 35 Ca -0.49 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1i1d h PRO 35 Cb 1.19 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 32.13 1i1d h PRO 35 CO 0.62 0.47 0.22 0.93 -0.23 0.00 0.00 178.00 180.00 1i1d h GLU 36 N 0.73 0.42 -0.39 0.86 3.07 -1.99 0.20 114.58 117.48 1i1d h GLU 36 Ca 0.28 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.06 1i1d h GLU 36 Cb 0.16 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1i1d h GLU 36 CO -0.08 0.28 0.05 0.77 -1.40 0.00 0.00 179.01 178.62 1i1d h SER 37 N 0.43 0.63 -0.73 1.42 0.02 -1.72 -2.62 113.55 110.98 1i1d h SER 37 Ca 0.18 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1i1d h SER 37 Cb 0.09 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1i1d h SER 37 CO -0.13 0.75 0.30 0.15 -1.14 0.00 0.00 176.83 176.77 1i1d h PHE 38 N 0.50 1.12 -0.77 3.45 3.57 -0.88 -1.14 116.94 122.79 1i1d h PHE 38 Ca 0.12 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1i1d h PHE 38 Cb 0.40 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1i1d h PHE 38 CO 0.03 0.85 0.35 0.00 -2.23 0.00 0.00 178.31 177.30 1i1d h LYS 40 N 1.10 0.06 -0.05 0.00 1.57 -1.08 -2.35 116.57 115.81 1i1d h LYS 40 Ca 0.26 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1i1d h LYS 40 Cb 0.14 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1i1d h LYS 40 CO -0.03 0.63 -0.02 1.25 -0.57 0.00 0.00 179.45 180.72 1i1d h LEU 41 N 0.05 0.11 -0.84 2.94 5.85 -0.43 -1.43 115.31 121.56 1i1d h LEU 41 Ca -0.01 -0.38 0.08 0.00 0.84 0.00 0.00 57.88 58.42 1i1d h LEU 41 Cb 1.05 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 1i1d h LEU 41 CO 0.08 0.46 0.50 0.40 -0.34 0.00 0.00 178.44 179.54 1i1d h ILE 42 N -0.25 0.96 -0.23 4.05 1.08 -1.15 0.17 117.51 122.14 1i1d h ILE 42 Ca 0.01 -0.29 0.04 0.00 -0.39 0.00 0.00 64.86 64.23 1i1d h ILE 42 Cb 0.42 0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.16 1i1d h ILE 42 CO 0.01 0.16 0.01 0.50 -0.69 0.00 0.00 178.15 178.13 1i1d h LYS 43 N 0.86 0.08 -0.23 2.37 3.64 -1.29 0.27 116.57 122.27 1i1d h LYS 43 Ca 0.39 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.77 1i1d h LYS 43 Cb 0.29 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1i1d h LYS 43 CO -0.22 0.06 0.13 -0.92 -2.27 0.00 0.00 179.45 176.23 1i1d h TYR 44 N 0.09 0.24 0.00 1.91 3.20 -0.17 -1.09 116.97 121.14 1i1d h TYR 44 Ca 0.11 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1i1d h TYR 44 Cb 0.13 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1i1d h TYR 44 CO -0.18 0.14 -0.23 -1.49 -1.64 0.00 0.00 178.16 174.76 1i1d h TRP 45 N 0.27 0.00 0.00 -3.82 6.55 -0.15 -1.98 115.95 116.82 1i1d h TRP 45 Ca 0.09 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.93 1i1d h TRP 45 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 1i1d h TRP 45 CO -0.08 0.23 -0.37 0.09 -1.05 0.00 0.00 178.44 177.26 1i1d n ASN 46 N -4.17 0.54 -0.03 -3.49 3.02 0.90 -4.11 115.26 107.92 1i1d n ASN 46 Ca -0.02 0.18 0.04 0.00 -0.03 0.00 0.00 54.58 54.74 1i1d n ASN 46 Cb 0.29 -0.11 -0.13 0.00 -0.61 0.00 0.00 39.78 39.23 1i1d n ASN 46 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i1d n GLU 47 N -1.87 0.78 -1.82 3.52 1.02 -0.46 -4.90 120.64 116.91 1i1d n GLU 47 Ca 0.05 -0.11 -0.39 0.00 -0.02 0.00 0.00 57.16 56.69 1i1d n GLU 47 Cb 0.39 -1.40 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 1i1d n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i1d s ALA 48 N -2.93 2.11 -0.02 0.62 0.00 -0.79 -4.96 121.76 115.79 1i1d s ALA 48 Ca -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 1i1d s ALA 48 Cb 0.09 -4.26 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 1i1d s ALA 48 CO 0.67 -3.85 0.09 0.95 0.00 0.00 0.00 175.76 173.62 1i1d s THR 49 N 9.90 4.81 0.49 0.00 -4.23 -1.26 -1.39 115.64 123.97 1i1d s THR 49 Ca 0.83 -0.33 -0.10 0.00 -1.18 0.00 0.00 61.69 60.91 1i1d s THR 49 Cb -0.17 -3.18 -0.05 0.00 1.34 0.00 0.00 72.50 70.43 1i1d s THR 49 CO 0.26 0.39 0.87 -0.69 -0.54 0.00 0.00 174.62 174.91 1i1d s VAL 50 N -1.16 4.75 -0.08 2.29 1.01 -0.30 -4.79 120.40 122.12 1i1d s VAL 50 Ca 0.22 0.68 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 1i1d s VAL 50 Cb -0.12 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 1i1d s VAL 50 CO 0.12 -0.77 2.08 0.86 0.00 0.00 0.00 175.10 177.39 1i1d s TRP 51 N -2.69 1.24 0.00 5.22 -0.00 -1.26 -4.55 118.94 116.90 1i1d s TRP 51 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 56.10 56.63 1i1d s TRP 51 Cb -0.10 -4.10 0.00 0.00 -0.00 0.00 0.00 33.47 29.27 1i1d s TRP 51 CO 0.40 -4.87 0.00 -1.71 -0.00 0.00 0.00 176.95 170.76 1i1d n ASN 52 N 9.45 0.00 -4.54 5.86 5.15 -1.26 -5.05 115.26 124.86 1i1d n ASN 52 Ca 0.24 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.86 1i1d n ASN 52 Cb 0.43 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.57 1i1d n ASN 52 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1i1d s LYS 58 N 1.68 3.83 -0.10 1.20 2.20 -1.26 -5.29 119.74 122.01 1i1d s LYS 58 Ca 0.00 -0.39 0.03 0.00 -0.36 0.00 0.00 55.97 55.24 1i1d s LYS 58 Cb 0.00 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1i1d s LYS 58 CO 0.00 -0.04 -0.20 0.42 -0.36 0.00 0.00 175.35 175.17 1i1d s ILE 59 N 1.26 2.49 -0.12 5.43 1.01 -1.26 -5.05 121.20 124.96 1i1d s ILE 59 Ca 0.05 -0.88 -0.26 0.00 0.00 0.00 0.00 60.65 59.57 1i1d s ILE 59 Cb -0.14 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 1i1d s ILE 59 CO 0.04 0.55 0.83 -0.04 0.00 0.00 0.00 174.94 176.33 1i1d s MET 60 N 0.15 4.37 0.23 2.79 -1.94 -1.26 -1.15 119.30 122.48 1i1d s MET 60 Ca -0.10 1.05 -0.01 0.00 -1.71 0.00 0.00 55.69 54.92 1i1d s MET 60 Cb -0.16 -3.53 0.23 0.00 2.01 0.00 0.00 34.83 33.39 1i1d s MET 60 CO 0.06 -0.21 1.61 0.37 -0.01 0.00 0.00 175.02 176.84 1i1d h GLN 61 N 7.13 0.56 -6.23 2.03 4.15 -1.53 -3.42 115.11 117.80 1i1d h GLN 61 Ca -0.33 -0.27 -0.69 0.00 0.77 0.00 0.00 58.65 58.13 1i1d h GLN 61 Cb 1.16 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 28.65 1i1d h GLN 61 CO 0.81 0.85 -0.72 0.71 -1.93 0.00 0.00 178.83 178.56 1i1d s TYR 62 N -4.28 2.86 -0.39 3.99 1.51 -1.26 -0.71 117.35 119.07 1i1d s TYR 62 Ca -0.07 -0.04 0.08 0.00 -1.01 0.00 0.00 57.07 56.03 1i1d s TYR 62 Cb 0.12 -1.67 0.26 0.00 -0.11 0.00 0.00 41.96 40.56 1i1d s TYR 62 CO 0.82 0.30 0.55 0.09 -1.11 0.00 0.00 175.55 176.20 1i1d n ASN 63 N 2.11 0.04 -4.60 2.29 4.13 -0.81 -4.89 115.26 113.54 1i1d n ASN 63 Ca -0.17 -2.74 -0.43 0.00 1.68 0.00 0.00 54.58 52.92 1i1d n ASN 63 Cb 0.53 -0.50 -0.02 0.00 -1.54 0.00 0.00 39.78 38.24 1i1d n ASN 63 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1i1d s PRO 64 N -1.15 3.67 0.14 3.52 0.04 -1.26 -2.50 135.00 137.46 1i1d s PRO 64 Ca 0.35 0.53 0.06 0.00 0.04 0.00 0.00 61.00 61.99 1i1d s PRO 64 Cb 0.18 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1i1d s PRO 64 CO -0.12 -1.46 0.00 -1.64 0.04 0.00 0.00 177.00 173.83 1i1d s MET 65 N 4.60 2.46 0.01 4.56 -1.94 0.20 -0.21 119.30 128.99 1i1d s MET 65 Ca 0.48 -1.00 0.05 0.00 -1.71 0.00 0.00 55.69 53.51 1i1d s MET 65 Cb -0.08 -2.43 -0.01 0.00 2.01 0.00 0.00 34.83 34.32 1i1d s MET 65 CO 0.31 0.49 -0.14 0.14 -0.01 0.00 0.00 175.02 175.80 1i1d s VAL 66 N -1.56 1.12 -0.22 -6.03 -7.23 -0.35 -2.07 120.40 104.05 1i1d s VAL 66 Ca 0.27 -0.74 -0.08 0.00 -1.81 0.00 0.00 61.98 59.62 1i1d s VAL 66 Cb -0.10 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 1i1d s VAL 66 CO 0.18 0.21 0.08 -0.63 -0.31 0.00 0.00 175.10 174.64 1i1d s ILE 67 N -0.50 4.62 -0.10 -0.62 1.01 -0.14 -1.78 121.20 123.69 1i1d s ILE 67 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.60 1i1d s ILE 67 Cb -0.06 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1i1d s ILE 67 CO 0.00 0.38 -0.03 -0.69 0.00 0.00 0.00 174.94 174.59 1i1d s VAL 68 N 1.12 3.98 -0.29 2.92 1.01 0.42 -0.18 120.40 129.37 1i1d s VAL 68 Ca 0.05 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 1i1d s VAL 68 Cb -0.14 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1i1d s VAL 68 CO 0.03 0.57 0.82 -0.62 0.00 0.00 0.00 175.10 175.91 1i1d s ASP 69 N -0.53 6.74 0.56 3.32 -1.08 -0.17 -1.58 116.67 123.93 1i1d s ASP 69 Ca 0.08 0.82 0.35 0.00 -0.52 0.00 0.00 52.55 53.27 1i1d s ASP 69 Cb -0.12 -2.43 1.50 0.00 -1.46 0.00 0.00 42.92 40.41 1i1d s ASP 69 CO 0.02 -0.60 2.03 0.11 0.52 0.00 0.00 175.17 177.25 1i1d h LYS 70 N 7.97 0.00 -0.20 4.34 1.57 -1.26 0.38 116.57 129.37 1i1d h LYS 70 Ca -0.24 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 1i1d h LYS 70 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1i1d h LYS 70 CO 0.89 0.02 -0.23 0.00 -0.57 0.00 0.00 179.45 179.56 1i1d h ARG 71 N 0.00 0.36 0.00 3.15 3.08 -1.92 -3.33 114.38 115.72 1i1d h ARG 71 Ca -0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1i1d h ARG 71 Cb 0.45 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1i1d h ARG 71 CO 0.00 0.58 0.00 0.25 -1.07 0.00 0.00 179.97 179.73 1i1d n THR 72 N -4.16 0.00 -3.90 2.04 -2.24 -1.10 -5.01 114.28 99.91 1i1d n THR 72 Ca -0.00 -0.29 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 1i1d n THR 72 Cb 0.37 1.32 0.02 0.00 -2.10 0.00 0.00 70.33 69.94 1i1d n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i1d n GLU 73 N -0.14 -5.19 -5.05 -0.78 -0.58 0.13 -4.97 120.64 104.06 1i1d n GLU 73 Ca 0.00 0.58 -0.32 0.00 -0.42 0.00 0.00 57.16 57.00 1i1d n GLU 73 Cb 0.08 -5.37 -0.14 0.00 -0.57 0.00 0.00 31.44 25.43 1i1d n GLU 73 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1i1d s THR 74 N -3.39 2.59 -0.08 2.62 2.01 -1.15 -4.92 115.64 113.32 1i1d s THR 74 Ca 0.53 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 1i1d s THR 74 Cb -0.27 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1i1d s THR 74 CO 0.84 0.56 1.39 -0.69 -0.69 0.00 0.00 174.62 176.03 1i1d s VAL 75 N -0.70 3.93 -0.07 3.82 1.01 -1.26 -1.00 120.40 126.13 1i1d s VAL 75 Ca 0.11 1.21 0.20 0.00 0.00 0.00 0.00 61.98 63.49 1i1d s VAL 75 Cb -0.10 -3.78 -0.30 0.00 0.00 0.00 0.00 36.38 32.20 1i1d s VAL 75 CO 0.00 -0.06 0.35 0.00 0.00 0.00 0.00 175.10 175.39 1i1d n ALA 76 N 6.20 2.43 -3.44 5.51 0.00 0.74 -4.84 120.51 127.12 1i1d n ALA 76 Ca 0.14 -0.69 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 1i1d n ALA 76 Cb 0.44 -0.56 -0.02 0.00 0.00 0.00 0.00 19.45 19.31 1i1d n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i1d s ALA 77 N -3.16 -1.65 -0.01 0.00 0.00 -1.07 -0.72 121.76 115.14 1i1d s ALA 77 Ca -0.08 0.62 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 1i1d s ALA 77 Cb 0.11 0.77 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1i1d s ALA 77 CO 0.83 -0.74 0.32 -0.08 0.00 0.00 0.00 175.76 176.09 1i1d s THR 78 N -3.54 0.06 0.03 0.00 -1.32 -0.22 -0.97 115.64 109.68 1i1d s THR 78 Ca 0.01 -0.47 -0.27 0.00 -1.21 0.00 0.00 61.69 59.75 1i1d s THR 78 Cb -0.01 -0.65 0.09 0.00 -1.51 0.00 0.00 72.50 70.42 1i1d s THR 78 CO -0.11 -0.26 0.76 -0.83 -2.21 0.00 0.00 174.62 171.96 1i1d s GLY 79 N -1.38 -0.52 0.07 6.08 0.00 -0.88 -1.17 107.32 109.51 1i1d s GLY 79 Ca -0.13 0.97 0.05 0.00 0.00 0.00 0.00 44.72 45.61 1i1d s GLY 79 CO 0.04 0.44 -0.14 0.21 0.00 0.00 0.00 173.10 173.65 1i1d s ASN 80 N -2.23 1.61 -0.08 1.64 3.84 -0.77 -0.63 114.94 118.32 1i1d s ASN 80 Ca 0.00 -0.59 0.00 0.00 0.21 0.00 0.00 52.86 52.49 1i1d s ASN 80 Cb -0.01 -0.05 0.02 0.00 -0.55 0.00 0.00 41.25 40.66 1i1d s ASN 80 CO -0.06 -0.07 -0.07 -0.51 -2.79 0.00 0.00 177.10 173.59 1i1d s ILE 81 N -1.22 0.88 -0.17 -5.21 2.07 -1.04 -1.19 121.20 115.31 1i1d s ILE 81 Ca -0.02 -0.25 -0.06 0.00 -1.41 0.00 0.00 60.65 58.91 1i1d s ILE 81 Cb -0.10 -0.89 -0.03 0.00 0.13 0.00 0.00 42.46 41.57 1i1d s ILE 81 CO 0.02 0.33 0.02 -0.63 -1.91 0.00 0.00 174.94 172.76 1i1d s ILE 82 N 1.36 4.37 -0.26 2.00 1.01 -0.12 -1.92 121.20 127.64 1i1d s ILE 82 Ca -0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.32 1i1d s ILE 82 Cb -0.14 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 1i1d s ILE 82 CO -0.04 0.47 0.21 -0.63 0.00 0.00 0.00 174.94 174.96 1i1d s ILE 83 N 0.39 5.30 -0.09 2.92 -1.09 0.12 -0.51 121.20 128.23 1i1d s ILE 83 Ca -0.00 0.25 0.03 0.00 -2.23 0.00 0.00 60.65 58.70 1i1d s ILE 83 Cb -0.13 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1i1d s ILE 83 CO 0.01 0.27 -0.18 -0.70 -1.23 0.00 0.00 174.94 173.12 1i1d s GLU 84 N 1.53 2.96 -0.10 2.79 2.12 -0.26 -4.78 118.70 122.96 1i1d s GLU 84 Ca 0.09 -0.77 -0.15 0.00 0.36 0.00 0.00 54.97 54.50 1i1d s GLU 84 Cb -0.15 -2.42 -0.05 0.00 0.26 0.00 0.00 34.13 31.77 1i1d s GLU 84 CO 0.08 0.33 0.37 0.50 -0.54 0.00 0.00 175.26 176.00 1i1d s ARG 85 N 0.01 4.12 0.52 4.30 6.06 -1.26 -0.86 118.95 131.84 1i1d s ARG 85 Ca -0.06 0.27 0.03 0.00 -2.50 0.00 0.00 55.73 53.47 1i1d s ARG 85 Cb -0.15 -3.35 0.01 0.00 0.06 0.00 0.00 34.95 31.52 1i1d s ARG 85 CO 0.05 0.40 0.16 0.15 -2.50 0.00 0.00 175.30 173.56 1i1d s LYS 86 N -0.08 2.22 -0.11 5.12 1.02 -0.60 -4.98 119.74 122.33 1i1d s LYS 86 Ca 0.21 -2.24 -0.05 0.00 0.02 0.00 0.00 55.97 53.90 1i1d s LYS 86 Cb -0.15 -1.76 -0.26 0.00 -0.52 0.00 0.00 37.83 35.14 1i1d s LYS 86 CO 0.08 -0.46 0.40 -0.89 -0.92 0.00 0.00 175.35 173.57 1i1d n ILE 87 N -1.46 1.78 -0.63 2.17 5.41 -1.26 -3.83 119.36 121.54 1i1d n ILE 87 Ca -0.12 -0.67 -0.31 0.00 1.00 0.00 0.00 62.75 62.66 1i1d n ILE 87 Cb 0.66 -1.69 0.19 0.00 -0.71 0.00 0.00 39.64 38.09 1i1d n ILE 87 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1i1d n ILE 88 N -3.45 0.00 -3.84 1.39 -5.35 -1.26 -1.70 119.36 105.16 1i1d n ILE 88 Ca -0.31 -0.11 -0.27 0.00 -0.27 0.00 0.00 62.75 61.79 1i1d n ILE 88 Cb 1.05 -0.98 0.03 0.00 -1.74 0.00 0.00 39.64 38.00 1i1d n ILE 88 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1i1d n HIS 89 N -4.41 -2.23 -3.65 4.28 8.25 -1.26 -1.82 115.22 114.39 1i1d n HIS 89 Ca 0.10 0.90 -0.27 0.00 -0.26 0.00 0.00 57.72 58.18 1i1d n HIS 89 Cb 0.53 -4.17 0.04 0.00 1.12 0.00 0.00 29.99 27.51 1i1d n HIS 89 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1i1d n GLU 90 N -4.59 -2.03 -3.57 -0.41 1.02 -1.21 -1.99 120.64 107.86 1i1d n GLU 90 Ca -0.06 0.53 -0.23 0.00 -0.02 0.00 0.00 57.16 57.38 1i1d n GLU 90 Cb 0.57 -4.52 0.08 0.00 -0.02 0.00 0.00 31.44 27.55 1i1d n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1i1d n LEU 91 N -4.09 -3.51 -4.72 -4.62 4.77 -0.69 -4.96 117.00 99.18 1i1d n LEU 91 Ca -0.14 -0.55 -0.33 0.00 -0.03 0.00 0.00 56.01 54.96 1i1d n LEU 91 Cb 0.61 -3.05 0.10 0.00 -2.33 0.00 0.00 43.42 38.75 1i1d n LEU 91 CO 0.67 0.61 0.76 -0.83 -1.33 0.00 0.00 177.39 177.27 1i1d s GLY 92 N -3.49 2.13 -0.19 -0.72 0.00 -0.75 -4.58 107.32 99.71 1i1d s GLY 92 Ca 0.49 0.72 -0.12 0.00 0.00 0.00 0.00 44.72 45.82 1i1d s GLY 92 CO 0.73 1.12 0.20 1.08 0.00 0.00 0.00 173.10 176.23 1i1d s LEU 93 N -5.46 4.21 -0.10 0.66 1.43 -1.26 -1.55 118.68 116.61 1i1d s LEU 93 Ca 0.71 0.33 0.04 0.00 -1.03 0.00 0.00 54.13 54.18 1i1d s LEU 93 Cb -0.26 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 43.76 1i1d s LEU 93 CO 0.48 0.14 -0.24 0.00 0.23 0.00 0.00 176.35 176.96 1i1d s GLY 95 N 0.31 2.42 -0.17 0.00 0.00 -0.50 -1.10 107.32 108.27 1i1d s GLY 95 Ca -0.18 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1i1d s GLY 95 CO 0.09 0.02 -0.08 0.30 0.00 0.00 0.00 173.10 173.42 1i1d s HIS 96 N -1.32 1.98 -0.06 1.90 3.76 0.33 -0.35 115.29 121.52 1i1d s HIS 96 Ca 0.31 -1.25 -0.20 0.00 -0.15 0.00 0.00 55.06 53.78 1i1d s HIS 96 Cb -0.15 -1.45 -0.04 0.00 1.11 0.00 0.00 32.58 32.05 1i1d s HIS 96 CO 0.17 -0.66 0.56 0.42 -0.85 0.00 0.00 174.74 174.39 1i1d s ILE 97 N 1.54 5.06 0.11 0.60 1.01 -0.07 -0.94 121.20 128.50 1i1d s ILE 97 Ca 0.01 1.16 -0.01 0.00 0.00 0.00 0.00 60.65 61.81 1i1d s ILE 97 Cb -0.15 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1i1d s ILE 97 CO -0.08 0.35 0.02 -1.61 0.00 0.00 0.00 174.94 173.62 1i1d s GLU 98 N 0.33 0.84 -1.35 2.79 0.41 -0.33 -4.53 118.70 116.86 1i1d s GLU 98 Ca 0.30 -1.38 -0.06 0.00 -0.41 0.00 0.00 54.97 53.43 1i1d s GLU 98 Cb -0.17 0.16 0.00 0.00 -1.78 0.00 0.00 34.13 32.35 1i1d s GLU 98 CO 0.14 -0.19 0.50 -0.25 -0.49 0.00 0.00 175.26 174.97 1i1d n ASP 99 N -0.04 -1.42 -4.68 -0.19 8.00 -1.26 -1.85 116.55 115.10 1i1d n ASP 99 Ca -0.08 -1.02 -0.43 0.00 0.71 0.00 0.00 54.79 53.97 1i1d n ASP 99 Cb 0.63 -3.05 -0.02 0.00 -0.02 0.00 0.00 41.12 38.65 1i1d n ASP 99 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i1d s ILE 100 N -3.85 4.76 -0.11 0.53 -1.09 -1.26 -4.05 121.20 116.12 1i1d s ILE 100 Ca 0.11 2.04 -0.05 0.00 -2.23 0.00 0.00 60.65 60.52 1i1d s ILE 100 Cb -0.04 -4.31 0.05 0.00 -1.58 0.00 0.00 42.46 36.57 1i1d s ILE 100 CO 0.89 -0.04 0.25 0.00 -1.23 0.00 0.00 174.94 174.81 1i1d s ALA 101 N 2.31 -0.56 -0.22 9.38 0.00 -0.32 -4.88 121.76 127.46 1i1d s ALA 101 Ca 0.47 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 53.36 1i1d s ALA 101 Cb -0.17 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1i1d s ALA 101 CO 0.15 -0.29 0.04 0.08 0.00 0.00 0.00 175.76 175.74 1i1d s VAL 102 N 1.51 4.24 0.30 0.00 1.01 -1.26 -1.06 120.40 125.14 1i1d s VAL 102 Ca -0.07 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1i1d s VAL 102 Cb -0.11 -2.95 -0.14 0.00 0.00 0.00 0.00 36.38 33.19 1i1d s VAL 102 CO -0.09 0.39 1.06 -3.20 0.00 0.00 0.00 175.10 173.27 1i1d n ASN 103 N 4.44 1.56 0.31 3.32 2.85 0.10 -4.80 115.26 123.04 1i1d n ASN 103 Ca -0.17 1.18 0.18 0.00 -0.11 0.00 0.00 54.58 55.66 1i1d n ASN 103 Cb 0.52 -1.32 1.01 0.00 1.24 0.00 0.00 39.78 41.22 1i1d n ASN 103 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1i1d h SER 104 N 2.09 0.00 0.86 1.20 4.64 -1.89 0.12 113.55 120.58 1i1d h SER 104 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1i1d h SER 104 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1i1d h SER 104 CO 0.61 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.86 1i1d n LYS 105 N -3.60 0.05 -0.10 4.77 5.02 -1.26 -3.73 118.16 119.29 1i1d n LYS 105 Ca -0.03 0.04 0.09 0.00 -2.02 0.00 0.00 58.31 56.39 1i1d n LYS 105 Cb 0.09 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.74 1i1d n LYS 105 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1i1d n TYR 106 N -1.47 0.11 -2.09 2.13 4.02 0.41 -5.05 117.16 115.22 1i1d n TYR 106 Ca 0.07 -0.91 -0.30 0.00 -0.01 0.00 0.00 57.90 56.75 1i1d n TYR 106 Cb 0.30 -0.15 0.01 0.00 -0.02 0.00 0.00 39.34 39.47 1i1d n TYR 106 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1i1d s GLN 107 N -2.60 3.58 0.00 -0.72 -0.21 -1.20 -4.00 119.66 114.51 1i1d s GLN 107 Ca 0.29 0.60 0.00 0.00 0.02 0.00 0.00 55.36 56.27 1i1d s GLN 107 Cb 0.25 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 32.10 1i1d s GLN 107 CO 0.03 -0.47 0.00 0.41 -2.12 0.00 0.00 175.29 173.15 1i1d n GLY 108 N -2.61 0.91 0.55 3.09 0.00 -1.26 -4.91 105.19 100.96 1i1d n GLY 108 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1i1d n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i1d n GLN 109 N -2.08 1.69 -1.00 1.61 10.64 -1.26 -4.99 117.38 122.00 1i1d n GLN 109 Ca 0.00 -2.98 0.00 0.00 -1.83 0.00 0.00 57.00 52.19 1i1d n GLN 109 Cb 0.00 -1.64 0.00 0.00 -0.86 0.00 0.00 30.24 27.74 1i1d n GLN 109 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1i1d n GLY 110 N -1.16 0.58 0.20 2.61 0.00 -1.26 -4.92 105.19 101.24 1i1d n GLY 110 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 1i1d n GLY 110 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1i1d h LEU 111 N 0.00 0.24 0.09 0.99 3.38 -1.94 -2.28 115.31 115.79 1i1d h LEU 111 Ca 0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1i1d h LEU 111 Cb 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1i1d h LEU 111 CO 0.00 0.60 -0.04 1.23 0.09 0.00 0.00 178.44 180.31 1i1d h GLY 112 N 1.16 -0.13 1.05 0.83 0.00 -1.91 0.23 103.07 104.30 1i1d h GLY 112 Ca 0.02 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1i1d h GLY 112 CO 0.06 -0.05 0.41 1.70 0.00 0.00 0.00 176.54 178.66 1i1d h LYS 113 N -0.14 1.22 -0.77 4.80 3.64 -1.95 -0.95 116.57 122.42 1i1d h LYS 113 Ca -0.01 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 1i1d h LYS 113 Cb 0.11 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 1i1d h LYS 113 CO 0.02 0.94 0.45 -0.07 -2.27 0.00 0.00 179.45 178.52 1i1d h LEU 114 N 1.21 0.94 -0.20 5.20 3.38 -1.12 0.13 115.31 124.85 1i1d h LEU 114 Ca 0.29 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1i1d h LEU 114 Cb 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1i1d h LEU 114 CO -0.04 0.74 0.07 0.25 0.09 0.00 0.00 178.44 179.55 1i1d h LEU 115 N 1.06 0.29 -0.39 1.67 5.85 -0.57 -0.81 115.31 122.41 1i1d h LEU 115 Ca 0.27 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1i1d h LEU 115 Cb -0.01 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1i1d h LEU 115 CO -0.05 0.40 0.13 0.40 -0.34 0.00 0.00 178.44 178.99 1i1d h ILE 116 N 0.16 1.21 -0.94 4.05 1.08 -0.98 -0.16 117.51 121.92 1i1d h ILE 116 Ca 0.07 -0.67 0.05 0.00 -0.39 0.00 0.00 64.86 63.92 1i1d h ILE 116 Cb 0.21 0.91 -0.06 0.00 -3.07 0.00 0.00 36.82 34.82 1i1d h ILE 116 CO -0.00 0.24 0.62 0.44 -0.69 0.00 0.00 178.15 178.75 1i1d h ASP 117 N 0.49 0.98 -0.36 1.72 3.32 -0.59 -0.11 116.42 121.87 1i1d h ASP 117 Ca 0.13 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1i1d h ASP 117 Cb 0.24 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1i1d h ASP 117 CO -0.01 0.65 -0.23 1.56 -1.72 0.00 0.00 179.24 179.50 1i1d h GLN 118 N 1.13 0.80 -0.60 3.56 1.08 -0.47 -1.83 115.11 118.77 1i1d h GLN 118 Ca 0.40 -0.37 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 1i1d h GLN 118 Cb 0.12 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1i1d h GLN 118 CO -0.14 1.00 0.10 -0.07 -0.95 0.00 0.00 178.83 178.77 1i1d h LEU 119 N 0.59 0.91 -0.53 1.46 3.38 -0.44 -1.59 115.31 119.09 1i1d h LEU 119 Ca 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1i1d h LEU 119 Cb 0.79 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1i1d h LEU 119 CO 0.06 0.90 0.26 0.58 0.09 0.00 0.00 178.44 180.33 1i1d h VAL 120 N 0.90 1.20 -0.16 1.22 2.07 -1.00 -0.74 116.25 119.74 1i1d h VAL 120 Ca 0.19 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.20 1i1d h VAL 120 Cb 0.38 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1i1d h VAL 120 CO 0.01 0.22 -0.10 0.74 0.02 0.00 0.00 177.57 178.45 1i1d h THR 121 N 0.70 0.69 -0.52 2.57 2.02 -0.95 0.33 112.91 117.75 1i1d h THR 121 Ca 0.18 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.39 1i1d h THR 121 Cb 0.11 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1i1d h THR 121 CO -0.02 0.00 0.30 0.40 0.37 0.00 0.00 175.52 176.57 1i1d h ILE 122 N -0.10 1.03 -0.12 3.11 2.04 -1.06 0.62 117.51 123.02 1i1d h ILE 122 Ca 0.10 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1i1d h ILE 122 Cb 0.24 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1i1d h ILE 122 CO -0.23 0.11 0.04 1.23 0.00 0.00 0.00 178.15 179.30 1i1d h GLY 123 N 0.59 0.21 1.60 5.37 0.00 -0.68 -1.55 103.07 108.61 1i1d h GLY 123 Ca 0.21 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 1i1d h GLY 123 CO -0.11 0.11 -0.36 0.74 0.00 0.00 0.00 176.54 176.92 1i1d h PHE 124 N 0.02 0.52 0.00 5.60 0.04 -0.83 -2.02 116.94 120.27 1i1d h PHE 124 Ca 0.04 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 1i1d h PHE 124 Cb 0.21 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 1i1d h PHE 124 CO -0.00 0.75 -0.12 -0.44 -0.60 0.00 0.00 178.31 177.90 1i1d h ASP 125 N 0.38 0.00 0.51 2.17 3.32 -0.71 0.86 116.42 122.94 1i1d h ASP 125 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1i1d h ASP 125 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1i1d h ASP 125 CO 0.07 0.12 -0.14 -1.22 -1.72 0.00 0.00 179.24 176.35 1i1d n TYR 126 N -3.49 0.00 -0.07 4.55 4.01 -0.60 -4.95 117.16 116.62 1i1d n TYR 126 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1i1d n TYR 126 Cb 0.27 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 1i1d n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i1d n GLY 127 N 1.35 0.96 3.77 2.72 0.00 0.29 -5.07 105.19 109.22 1i1d n GLY 127 Ca 0.12 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1i1d n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1d h TYR 129 N 3.44 0.00 -3.12 0.00 -0.00 -1.62 -3.44 116.97 112.22 1i1d h TYR 129 Ca -0.50 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.21 1i1d h TYR 129 Cb 1.23 0.00 -0.12 0.00 0.00 0.00 0.00 36.73 37.84 1i1d h TYR 129 CO 0.55 0.54 0.12 -1.59 -0.00 0.00 0.00 178.16 177.78 1i1d s LYS 130 N -3.01 1.23 -0.05 0.10 -2.85 -1.26 -5.10 119.74 108.80 1i1d s LYS 130 Ca 0.03 -0.56 0.02 0.00 -1.00 0.00 0.00 55.97 54.46 1i1d s LYS 130 Cb 0.08 0.55 0.02 0.00 -2.06 0.00 0.00 37.83 36.42 1i1d s LYS 130 CO 0.74 -0.52 -0.07 0.42 0.10 0.00 0.00 175.35 176.02 1i1d s ILE 131 N -3.77 0.74 0.27 3.79 1.01 -1.26 -1.41 121.20 120.57 1i1d s ILE 131 Ca 0.02 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.50 1i1d s ILE 131 Cb -0.00 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 1i1d s ILE 131 CO -0.12 0.26 -0.14 0.27 0.00 0.00 0.00 174.94 175.21 1i1d s ILE 132 N 0.70 2.08 0.16 2.92 -4.36 0.52 -4.95 121.20 118.27 1i1d s ILE 132 Ca -0.11 -2.27 -0.22 0.00 -0.26 0.00 0.00 60.65 57.80 1i1d s ILE 132 Cb -0.14 -2.33 0.06 0.00 1.25 0.00 0.00 42.46 41.30 1i1d s ILE 132 CO 0.01 -0.39 0.57 -1.48 0.24 0.00 0.00 174.94 173.89 1i1d s LEU 133 N -3.47 -0.40 -0.01 0.37 0.05 -1.26 -0.90 118.68 113.07 1i1d s LEU 133 Ca 0.28 -0.08 0.04 0.00 0.05 0.00 0.00 54.13 54.42 1i1d s LEU 133 Cb -0.01 2.48 -0.03 0.00 -2.05 0.00 0.00 46.19 46.58 1i1d s LEU 133 CO 0.13 -0.97 -0.13 -1.81 -0.55 0.00 0.00 176.35 173.02 1i1d s ASP 134 N -2.77 4.17 0.17 1.48 1.01 -1.26 -5.04 116.67 114.43 1i1d s ASP 134 Ca 0.02 -0.24 -0.05 0.00 0.71 0.00 0.00 52.55 52.99 1i1d s ASP 134 Cb -0.01 -0.86 -0.03 0.00 1.01 0.00 0.00 42.92 43.03 1i1d s ASP 134 CO -0.12 0.30 0.20 0.00 0.21 0.00 0.00 175.17 175.77 1i1d s ASP 136 N -3.04 6.00 0.26 0.00 1.01 -1.26 -4.94 116.67 114.70 1i1d s ASP 136 Ca 0.25 1.81 -0.02 0.00 0.71 0.00 0.00 52.55 55.30 1i1d s ASP 136 Cb 0.05 -2.54 0.55 0.00 1.01 0.00 0.00 42.92 41.99 1i1d s ASP 136 CO 0.05 -1.01 1.67 -0.33 0.21 0.00 0.00 175.17 175.76 1i1d h GLU 137 N 0.73 0.26 0.00 8.23 4.39 -2.02 -0.60 114.58 125.57 1i1d h GLU 137 Ca -0.47 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1i1d h GLU 137 Cb 1.22 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1i1d h GLU 137 CO 0.58 0.17 0.00 0.36 -1.16 0.00 0.00 179.01 178.96 1i1d n LYS 138 N -5.17 0.11 -0.05 2.33 2.85 -1.26 -1.80 118.16 115.16 1i1d n LYS 138 Ca 0.17 0.50 0.09 0.00 -1.05 0.00 0.00 58.31 58.02 1i1d n LYS 138 Cb 0.53 -1.78 0.10 0.00 -0.65 0.00 0.00 35.03 33.23 1i1d n LYS 138 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1i1d n ASN 139 N -2.00 2.65 -0.23 -5.58 3.02 -0.24 -4.55 115.26 108.34 1i1d n ASN 139 Ca 0.00 -1.78 0.00 0.00 -0.03 0.00 0.00 54.58 52.77 1i1d n ASN 139 Cb 0.10 -0.07 0.12 0.00 -0.61 0.00 0.00 39.78 39.32 1i1d n ASN 139 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1i1d h VAL 140 N 3.41 0.84 -0.73 2.41 2.07 -1.32 -2.12 116.25 120.82 1i1d h VAL 140 Ca 0.00 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1i1d h VAL 140 Cb 0.76 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1i1d h VAL 140 CO 0.00 0.10 0.37 0.11 0.02 0.00 0.00 177.57 178.16 1i1d h LYS 141 N 0.54 1.04 -0.23 1.57 1.57 -1.80 -1.12 116.57 118.13 1i1d h LYS 141 Ca 0.32 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1i1d h LYS 141 Cb 0.34 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1i1d h LYS 141 CO -0.26 0.80 -0.01 0.35 -0.57 0.00 0.00 179.45 179.76 1i1d h PHE 142 N 1.02 -0.03 -0.15 -1.35 3.57 -1.76 0.02 116.94 118.25 1i1d h PHE 142 Ca 0.25 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 1i1d h PHE 142 Cb 0.09 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1i1d h PHE 142 CO 0.00 -0.04 -0.17 1.88 -2.23 0.00 0.00 178.31 177.75 1i1d h TYR 143 N 0.06 0.27 -0.04 0.41 -1.99 -1.00 -0.53 116.97 114.15 1i1d h TYR 143 Ca 0.11 -0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.72 1i1d h TYR 143 Cb 0.15 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1i1d h TYR 143 CO -0.20 0.42 -0.37 0.93 -0.00 0.00 0.00 178.16 178.95 1i1d h GLU 144 N 0.24 0.09 0.00 4.88 5.08 -0.37 0.17 114.58 124.67 1i1d h GLU 144 Ca 0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1i1d h GLU 144 Cb 0.45 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1i1d h GLU 144 CO 0.03 0.45 0.00 0.87 -1.00 0.00 0.00 179.01 179.35 1i1d h LYS 145 N 0.08 0.00 -0.51 2.33 1.79 0.62 -1.20 116.57 119.67 1i1d h LYS 145 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1i1d h LYS 145 Cb 0.69 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1i1d h LYS 145 CO 0.05 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.42 1i1d n GLY 147 N 1.52 0.69 3.90 0.00 0.00 -0.45 -4.96 105.19 105.89 1i1d n GLY 147 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1i1d n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i1d s PHE 148 N -2.37 3.55 0.08 1.61 0.40 -0.63 -4.99 117.98 115.63 1i1d s PHE 148 Ca 0.00 0.88 0.04 0.00 -0.60 0.00 0.00 56.93 57.25 1i1d s PHE 148 Cb 0.00 -2.35 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 1i1d s PHE 148 CO 0.00 -0.27 -0.12 -1.54 0.70 0.00 0.00 175.22 174.00 1i1d s SER 149 N -3.92 1.46 0.15 1.36 1.04 -1.26 -4.03 113.70 108.50 1i1d s SER 149 Ca 0.48 -0.69 -0.31 0.00 0.48 0.00 0.00 55.95 55.91 1i1d s SER 149 Cb -0.10 -0.01 -0.11 0.00 0.10 0.00 0.00 66.02 65.89 1i1d s SER 149 CO 0.43 -0.17 1.79 0.21 0.98 0.00 0.00 173.24 176.47 1i1d s ASN 150 N -2.01 6.41 0.00 7.02 3.04 -1.26 -4.89 114.94 123.25 1i1d s ASN 150 Ca -0.00 2.80 0.00 0.00 0.04 0.00 0.00 52.86 55.70 1i1d s ASN 150 Cb -0.07 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 37.06 1i1d s ASN 150 CO 0.01 -0.99 0.00 0.00 -3.04 0.00 0.00 177.10 173.08 1i1d n ALA 151 N 5.05 1.61 0.00 1.71 0.00 -1.26 -5.13 120.51 122.48 1i1d n ALA 151 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1i1d n ALA 151 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1i1d n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1d n GLY 152 N 1.05 -1.18 3.33 0.00 0.00 -1.26 -5.13 105.19 101.99 1i1d n GLY 152 Ca 0.00 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 1i1d n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i1d s VAL 153 N -3.00 2.71 -0.17 1.61 1.01 -1.26 -5.10 120.40 116.20 1i1d s VAL 153 Ca 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 60.94 1i1d s VAL 153 Cb 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1i1d s VAL 153 CO 0.00 0.54 0.81 -0.70 0.00 0.00 0.00 175.10 175.75 1i1d s GLU 154 N 0.25 4.28 0.13 2.72 2.12 -1.26 -5.05 118.70 121.89 1i1d s GLU 154 Ca -0.12 0.97 0.07 0.00 0.36 0.00 0.00 54.97 56.25 1i1d s GLU 154 Cb -0.16 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 1i1d s GLU 154 CO 0.06 -0.33 -0.04 -1.64 -0.54 0.00 0.00 175.26 172.77 1i1d s MET 155 N 2.15 2.32 0.07 4.30 -1.94 -1.26 -5.14 119.30 119.80 1i1d s MET 155 Ca 0.37 -1.01 -0.07 0.00 -1.71 0.00 0.00 55.69 53.27 1i1d s MET 155 Cb -0.16 -2.38 -0.01 0.00 2.01 0.00 0.00 34.83 34.29 1i1d s MET 155 CO 0.12 0.50 0.14 1.14 -0.01 0.00 0.00 175.02 176.91 1i1d s GLN 156 N -2.50 0.75 -0.03 2.03 -2.07 -1.26 -5.15 119.66 111.44 1i1d s GLN 156 Ca 0.25 -0.92 -0.01 0.00 -1.82 0.00 0.00 55.36 52.85 1i1d s GLN 156 Cb -0.11 0.30 0.02 0.00 -1.09 0.00 0.00 33.01 32.13 1i1d s GLN 156 CO 0.17 -0.21 0.06 -1.50 -1.32 0.00 0.00 175.29 172.48 1i1d s ILE 157 N -3.49 -0.03 0.19 3.63 2.07 -1.26 -5.16 121.20 117.15 1i1d s ILE 157 Ca 0.02 0.09 0.08 0.00 -1.41 0.00 0.00 60.65 59.43 1i1d s ILE 157 Cb 0.04 -0.10 -0.04 0.00 0.13 0.00 0.00 42.46 42.49 1i1d s ILE 157 CO -0.09 0.04 -0.01 -0.13 -1.91 0.00 0.00 174.94 172.83 1i1d s ARG 158 N 0.51 2.34 0.00 3.50 0.52 -1.26 -5.37 118.95 119.19 1i1d s ARG 158 Ca -0.04 -1.16 0.28 0.00 -0.52 0.00 0.00 55.73 54.29 1i1d s ARG 158 Cb -0.06 -2.31 1.68 0.00 0.52 0.00 0.00 34.95 34.79 1i1d s ARG 158 CO -0.02 0.44 2.02 1.17 0.02 0.00 0.00 175.30 178.94