#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5p s MET 4 N 0.00 0.97 0.23 1.57 1.00 -1.26 -5.15 119.30 116.67 3g5p s MET 4 Ca 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 55.69 54.55 3g5p s MET 4 Cb 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 34.83 33.92 3g5p s MET 4 CO 0.00 0.18 0.26 -1.13 0.00 0.00 0.00 175.02 174.33 3g5p n SER 5 N 0.75 -0.70 -4.57 3.03 3.41 -1.26 -5.16 113.62 109.11 3g5p n SER 5 Ca -0.17 -2.41 -0.31 0.00 -0.26 0.00 0.00 58.87 55.72 3g5p n SER 5 Cb 0.56 1.43 -0.10 0.00 -0.26 0.00 0.00 64.21 65.84 3g5p n SER 5 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3g5p s PHE 6 N -3.22 2.77 0.11 7.33 0.40 -1.26 -5.12 117.98 118.99 3g5p s PHE 6 Ca 0.24 -0.13 0.06 0.00 -0.60 0.00 0.00 56.93 56.50 3g5p s PHE 6 Cb 0.00 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 3g5p s PHE 6 CO 0.17 0.39 -0.14 -1.12 0.70 0.00 0.00 175.22 175.22 3g5p s SER 7 N -1.87 1.90 0.02 1.36 0.01 -1.26 -5.15 113.70 108.72 3g5p s SER 7 Ca 0.19 -0.79 0.01 0.00 1.31 0.00 0.00 55.95 56.67 3g5p s SER 7 Cb -0.11 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 3g5p s SER 7 CO 0.11 -0.15 -0.04 -1.38 0.41 0.00 0.00 173.24 172.18 3g5p s HIS 8 N -2.08 0.38 -0.36 2.43 -3.43 -1.26 -5.11 115.29 105.86 3g5p s HIS 8 Ca 0.07 -0.40 -0.20 0.00 -0.80 0.00 0.00 55.06 53.73 3g5p s HIS 8 Cb -0.05 -0.25 0.00 0.00 -1.43 0.00 0.00 32.58 30.86 3g5p s HIS 8 CO 0.03 -0.11 0.62 0.08 -2.00 0.00 0.00 174.74 173.36 3g5p s VAL 9 N -1.08 4.90 0.45 -5.38 1.01 -1.26 -4.53 120.40 114.51 3g5p s VAL 9 Ca -0.10 0.55 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 3g5p s VAL 9 Cb -0.08 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 3g5p s VAL 9 CO -0.00 -0.31 1.42 0.00 0.00 0.00 0.00 175.10 176.20 3g5p s GLN 11 N -2.47 2.67 0.23 0.00 -1.52 -1.26 -4.30 119.66 113.00 3g5p s GLN 11 Ca 0.61 -1.19 -0.32 0.00 -1.95 0.00 0.00 55.36 52.52 3g5p s GLN 11 Cb -0.43 -2.41 -0.12 0.00 -0.22 0.00 0.00 33.01 29.83 3g5p s GLN 11 CO 0.55 0.39 1.64 1.55 -0.25 0.00 0.00 175.29 179.18 3g5p n VAL 12 N -1.01 0.37 0.00 1.09 3.14 -0.10 -1.46 118.33 120.36 3g5p n VAL 12 Ca -0.07 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 3g5p n VAL 12 Cb 0.58 -1.87 0.00 0.00 -1.06 0.00 0.00 33.84 31.49 3g5p n VAL 12 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3g5p n GLY 13 N 3.22 3.17 3.68 7.55 0.00 -1.26 -5.08 105.19 116.46 3g5p n GLY 13 Ca 0.14 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 3g5p n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g5p s ASP 14 N 0.00 6.61 0.51 1.61 -1.08 -0.53 -4.88 116.67 118.91 3g5p s ASP 14 Ca 0.00 2.45 0.33 0.00 -0.52 0.00 0.00 52.55 54.81 3g5p s ASP 14 Cb 0.00 -2.56 1.43 0.00 -1.46 0.00 0.00 42.92 40.34 3g5p s ASP 14 CO 0.00 -0.90 1.98 1.55 0.52 0.00 0.00 175.17 178.32 3g5p h PRO 15 N 8.69 0.00 -0.50 4.34 0.13 -1.98 -2.29 132.00 140.39 3g5p h PRO 15 Ca -0.42 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.85 3g5p h PRO 15 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3g5p h PRO 15 CO 0.93 0.00 0.39 -0.24 -0.23 0.00 0.00 178.00 178.86 3g5p h VAL 16 N 0.00 0.63 0.00 1.56 3.04 -1.92 -0.94 116.25 118.62 3g5p h VAL 16 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3g5p h VAL 16 Cb 0.42 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 30.41 3g5p h VAL 16 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.74 3g5p n LEU 17 N -4.20 0.19 -0.15 3.16 4.77 -0.86 -3.50 117.00 116.41 3g5p n LEU 17 Ca 0.09 0.52 0.04 0.00 -0.03 0.00 0.00 56.01 56.63 3g5p n LEU 17 Cb 0.61 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3g5p n LEU 17 CO 0.34 -0.10 0.17 0.54 -1.33 0.00 0.00 177.39 177.01 3g5p n ARG 18 N -1.68 2.55 -1.56 3.23 3.00 -0.39 -4.15 116.66 117.66 3g5p n ARG 18 Ca 0.06 -0.45 -0.30 0.00 -0.01 0.00 0.00 57.85 57.15 3g5p n ARG 18 Cb 0.33 -0.98 0.09 0.00 0.00 0.00 0.00 32.46 31.90 3g5p n ARG 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3g5p s GLY 19 N -1.22 1.62 -0.31 -0.13 0.00 -1.01 -4.54 107.32 101.74 3g5p s GLY 19 Ca 0.06 -0.24 -0.15 0.00 0.00 0.00 0.00 44.72 44.39 3g5p s GLY 19 CO 0.21 0.20 0.36 0.14 0.00 0.00 0.00 173.10 174.01 3g5p s VAL 20 N -3.17 5.17 0.51 1.40 1.01 -1.26 -2.47 120.40 121.58 3g5p s VAL 20 Ca 0.61 0.30 -0.23 0.00 0.00 0.00 0.00 61.98 62.66 3g5p s VAL 20 Cb -0.14 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 3g5p s VAL 20 CO 0.54 0.03 1.39 0.00 0.00 0.00 0.00 175.10 177.06 3g5p s ALA 21 N 2.04 2.99 0.43 5.51 0.00 -0.47 -4.98 121.76 127.29 3g5p s ALA 21 Ca 0.13 1.39 -0.14 0.00 0.00 0.00 0.00 51.96 53.35 3g5p s ALA 21 Cb -0.16 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.30 3g5p s ALA 21 CO 0.11 -1.31 0.85 0.00 0.00 0.00 0.00 175.76 175.41 3g5p s ALA 22 N -1.26 3.23 0.79 0.00 0.00 -0.17 -4.64 121.76 119.70 3g5p s ALA 22 Ca 0.67 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.53 3g5p s ALA 22 Cb -0.42 -2.89 0.07 0.00 0.00 0.00 0.00 23.12 19.88 3g5p s ALA 22 CO 0.51 -0.02 1.13 -1.25 0.00 0.00 0.00 175.76 176.14 3g5p s PRO 23 N -3.73 1.97 -0.06 0.00 0.04 -1.26 -1.23 135.00 130.73 3g5p s PRO 23 Ca 0.55 1.41 -0.28 0.00 0.04 0.00 0.00 61.00 62.72 3g5p s PRO 23 Cb -0.10 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 3g5p s PRO 23 CO 0.28 -1.89 0.94 0.08 0.04 0.00 0.00 177.00 176.44 3g5p s VAL 24 N -2.59 4.87 0.42 -0.36 1.01 -1.26 -4.78 120.40 117.70 3g5p s VAL 24 Ca 0.66 1.93 -0.24 0.00 0.00 0.00 0.00 61.98 64.33 3g5p s VAL 24 Cb -0.21 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.82 3g5p s VAL 24 CO 0.52 0.11 1.08 -1.61 0.00 0.00 0.00 175.10 175.20 3g5p s GLU 25 N 1.43 4.05 0.38 2.72 0.41 -1.26 -4.93 118.70 121.50 3g5p s GLU 25 Ca 0.47 1.56 0.14 0.00 -0.41 0.00 0.00 54.97 56.74 3g5p s GLU 25 Cb -0.19 -2.48 0.98 0.00 -1.78 0.00 0.00 34.13 30.65 3g5p s GLU 25 CO 0.22 -0.25 1.81 -0.09 -0.49 0.00 0.00 175.26 176.45 3g5p h ARG 26 N 2.34 0.50 0.00 1.61 2.43 -1.98 0.66 114.38 119.95 3g5p h ARG 26 Ca -0.49 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 3g5p h ARG 26 Cb 1.22 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3g5p h ARG 26 CO 0.62 0.33 -0.07 0.00 -1.51 0.00 0.00 179.97 179.34 3g5p h ALA 27 N 1.62 1.33 0.00 2.80 0.00 -2.04 -1.92 119.26 121.06 3g5p h ALA 27 Ca 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3g5p h ALA 27 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3g5p h ALA 27 CO -0.28 0.09 -0.34 1.04 0.00 0.00 0.00 179.25 179.76 3g5p n GLN 28 N -3.65 0.12 -2.05 0.00 1.13 0.22 -4.84 117.38 108.31 3g5p n GLN 28 Ca -0.02 0.05 -0.40 0.00 -1.94 0.00 0.00 57.00 54.69 3g5p n GLN 28 Cb 0.18 -1.59 -0.01 0.00 0.11 0.00 0.00 30.24 28.92 3g5p n GLN 28 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3g5p s LEU 29 N -3.55 4.31 0.00 1.08 1.43 -0.72 -1.85 118.68 119.37 3g5p s LEU 29 Ca 0.10 2.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 3g5p s LEU 29 Cb 0.16 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.61 3g5p s LEU 29 CO 0.65 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 177.11 3g5p n GLY 30 N 0.70 2.35 3.94 -3.19 0.00 0.30 -4.91 105.19 104.38 3g5p n GLY 30 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 3g5p n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g5p s GLY 31 N -1.99 1.71 0.22 -0.02 0.00 -0.77 -4.91 107.32 101.56 3g5p s GLY 31 Ca 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 44.72 43.77 3g5p s GLY 31 CO 0.00 -0.62 1.52 -0.56 0.00 0.00 0.00 173.10 173.45 3g5p h PRO 32 N -0.47 0.20 -0.44 2.90 0.13 -1.95 -1.76 132.00 130.61 3g5p h PRO 32 Ca -0.44 -0.16 -0.07 0.00 -0.87 0.00 0.00 66.00 64.46 3g5p h PRO 32 Cb 1.31 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 3g5p h PRO 32 CO 0.59 0.80 -0.01 1.49 -0.23 0.00 0.00 178.00 180.64 3g5p h GLU 33 N 0.14 0.78 -0.66 0.86 4.81 -1.95 0.26 114.58 118.83 3g5p h GLU 33 Ca -0.01 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 3g5p h GLU 33 Cb 1.20 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3g5p h GLU 33 CO 0.10 0.85 0.13 1.25 -0.73 0.00 0.00 179.01 180.61 3g5p h LEU 34 N 0.62 1.01 -1.05 1.64 5.85 -1.79 -1.73 115.31 119.86 3g5p h LEU 34 Ca 0.12 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3g5p h LEU 34 Cb 0.50 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3g5p h LEU 34 CO 0.02 0.99 0.55 1.56 -0.34 0.00 0.00 178.44 181.23 3g5p h GLN 35 N 1.00 1.20 -0.67 1.25 4.20 -1.06 -0.22 115.11 120.82 3g5p h GLN 35 Ca 0.20 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3g5p h GLN 35 Cb 0.40 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3g5p h GLN 35 CO 0.01 0.83 0.32 0.00 -0.67 0.00 0.00 178.83 179.32 3g5p h ARG 36 N 1.23 0.97 -0.29 1.46 3.08 -0.65 -0.77 114.38 119.42 3g5p h ARG 36 Ca 0.32 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3g5p h ARG 36 Cb -0.08 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3g5p h ARG 36 CO -0.06 0.77 0.12 1.25 -1.07 0.00 0.00 179.97 180.98 3g5p h LEU 37 N 0.93 0.39 -0.69 3.04 5.85 -0.92 -1.83 115.31 122.08 3g5p h LEU 37 Ca 0.23 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 3g5p h LEU 37 Cb 0.13 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3g5p h LEU 37 CO -0.03 0.43 0.07 0.71 -0.34 0.00 0.00 178.44 179.29 3g5p h THR 38 N 0.32 1.26 -0.71 1.05 1.35 -0.92 -0.89 112.91 114.38 3g5p h THR 38 Ca 0.10 -1.07 -0.03 0.00 -0.55 0.00 0.00 66.41 64.86 3g5p h THR 38 Cb 0.16 0.69 -0.03 0.00 -1.73 0.00 0.00 68.15 67.24 3g5p h THR 38 CO -0.01 0.40 0.32 -0.61 -0.25 0.00 0.00 175.52 175.37 3g5p h GLN 39 N 1.00 1.03 -0.15 4.72 4.15 -1.06 -1.83 115.11 122.98 3g5p h GLN 39 Ca 0.19 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 3g5p h GLN 39 Cb 0.48 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3g5p h GLN 39 CO 0.02 0.83 0.05 -0.09 -1.93 0.00 0.00 178.83 177.71 3g5p h ARG 40 N 1.00 0.23 -0.24 1.69 9.65 -1.02 -1.16 114.38 124.53 3g5p h ARG 40 Ca 0.24 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 59.13 3g5p h ARG 40 Cb 0.15 -0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.62 3g5p h ARG 40 CO -0.03 0.35 -0.36 -0.07 2.80 0.00 0.00 179.97 182.66 3g5p h LEU 41 N 0.07 -1.16 -1.11 3.80 3.38 -1.02 -1.06 115.31 118.22 3g5p h LEU 41 Ca 0.05 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3g5p h LEU 41 Cb 0.21 0.50 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3g5p h LEU 41 CO -0.00 -0.37 0.59 0.58 0.09 0.00 0.00 178.44 179.33 3g5p h VAL 42 N -0.37 1.23 -0.53 1.22 2.07 -1.19 -0.50 116.25 118.18 3g5p h VAL 42 Ca 0.12 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3g5p h VAL 42 Cb 0.57 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3g5p h VAL 42 CO -0.44 0.23 0.20 1.56 0.02 0.00 0.00 177.57 179.13 3g5p h GLN 43 N 1.23 0.80 -0.60 1.57 4.20 -0.97 -0.30 115.11 121.03 3g5p h GLN 43 Ca 0.33 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 3g5p h GLN 43 Cb -0.13 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 3g5p h GLN 43 CO -0.07 0.72 0.06 0.28 -0.67 0.00 0.00 178.83 179.15 3g5p h VAL 44 N 0.72 1.26 -0.70 -0.54 2.07 -0.93 -1.06 116.25 117.07 3g5p h VAL 44 Ca 0.18 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 3g5p h VAL 44 Cb 0.22 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3g5p h VAL 44 CO -0.01 0.39 0.34 -0.03 0.02 0.00 0.00 177.57 178.28 3g5p h MET 45 N 0.93 1.01 -0.12 1.57 -1.53 -0.79 -0.50 114.93 115.50 3g5p h MET 45 Ca 0.18 -0.15 -0.17 0.00 -3.44 0.00 0.00 59.70 56.12 3g5p h MET 45 Cb 0.47 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.33 3g5p h MET 45 CO 0.02 0.79 -0.63 0.00 0.14 0.00 0.00 176.91 177.23 3g5p h ARG 46 N 0.98 0.43 -0.43 0.39 3.08 -0.89 -0.60 114.38 117.35 3g5p h ARG 46 Ca 0.24 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3g5p h ARG 46 Cb 0.11 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3g5p h ARG 46 CO -0.03 0.92 0.06 0.00 -1.07 0.00 0.00 179.97 179.85 3g5p h ARG 47 N 0.31 0.71 -0.00 0.04 3.08 -0.73 -3.15 114.38 114.63 3g5p h ARG 47 Ca -0.01 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3g5p h ARG 47 Cb 1.18 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3g5p h ARG 47 CO 0.11 0.75 -0.28 0.54 -1.07 0.00 0.00 179.97 180.02 3g5p n ARG 48 N -4.49 0.09 -2.93 0.04 5.12 -0.24 -4.95 116.66 109.31 3g5p n ARG 48 Ca -0.00 -0.04 -0.20 0.00 -1.93 0.00 0.00 57.85 55.68 3g5p n ARG 48 Cb 0.24 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 30.08 3g5p n ARG 48 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3g5p n ARG 49 N -1.42 -4.37 -3.56 5.56 1.74 -0.27 -4.98 116.66 109.36 3g5p n ARG 49 Ca 0.07 0.81 -0.38 0.00 -0.77 0.00 0.00 57.85 57.58 3g5p n ARG 49 Cb 0.33 -5.45 -0.06 0.00 -1.02 0.00 0.00 32.46 26.26 3g5p n ARG 49 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g5p h VAL 51 N 3.90 0.49 -4.47 0.00 2.07 -1.87 -3.44 116.25 112.93 3g5p h VAL 51 Ca -0.51 -1.38 -0.21 0.00 0.82 0.00 0.00 66.70 65.43 3g5p h VAL 51 Cb 1.21 1.99 -0.15 0.00 -1.52 0.00 0.00 31.29 32.83 3g5p h VAL 51 CO 0.63 0.24 -0.64 -0.83 0.02 0.00 0.00 177.57 176.99 3g5p s GLY 52 N -4.31 1.16 -0.16 2.17 0.00 -1.26 -0.45 107.32 104.46 3g5p s GLY 52 Ca 0.03 -1.56 -0.29 0.00 0.00 0.00 0.00 44.72 42.91 3g5p s GLY 52 CO 0.67 -1.38 0.81 -2.27 0.00 0.00 0.00 173.10 170.93 3g5p s LEU 53 N -3.09 -0.58 0.19 0.66 2.96 -0.49 -4.99 118.68 113.33 3g5p s LEU 53 Ca 0.30 0.84 0.10 0.00 -0.22 0.00 0.00 54.13 55.15 3g5p s LEU 53 Cb 0.07 2.27 -0.04 0.00 0.50 0.00 0.00 46.19 48.99 3g5p s LEU 53 CO 0.06 -0.40 -0.22 -0.94 -1.32 0.00 0.00 176.35 173.53 3g5p s SER 54 N -0.59 3.17 0.36 3.68 1.04 -1.26 -1.08 113.70 119.01 3g5p s SER 54 Ca -0.04 -0.88 0.05 0.00 0.48 0.00 0.00 55.95 55.56 3g5p s SER 54 Cb -0.02 -0.22 0.72 0.00 0.10 0.00 0.00 66.02 66.60 3g5p s SER 54 CO 0.04 0.06 1.99 0.00 0.98 0.00 0.00 173.24 176.30 3g5p h ALA 55 N 3.16 1.66 -0.25 5.32 0.00 -1.16 -1.40 119.26 126.59 3g5p h ALA 55 Ca -0.44 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.51 3g5p h ALA 55 Cb 1.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3g5p h ALA 55 CO 0.50 0.26 0.20 -1.35 0.00 0.00 0.00 179.25 178.87 3g5p h PRO 56 N 0.77 0.00 0.00 0.00 0.11 -1.46 0.16 132.00 131.57 3g5p h PRO 56 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3g5p h PRO 56 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3g5p h PRO 56 CO -0.08 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.67 3g5p h GLN 57 N 0.00 0.00 -0.61 1.05 4.20 -1.53 -0.73 115.11 117.49 3g5p h GLN 57 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3g5p h GLN 57 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3g5p h GLN 57 CO -0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 3g5p n LEU 58 N -2.79 5.43 0.00 1.46 4.77 0.50 -0.76 117.00 125.61 3g5p n LEU 58 Ca 0.02 -2.75 0.00 0.00 -0.03 0.00 0.00 56.01 53.25 3g5p n LEU 58 Cb 0.36 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3g5p n LEU 58 CO 0.28 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3g5p n GLY 59 N 0.76 0.59 3.17 -0.72 0.00 -0.28 -4.95 105.19 103.77 3g5p n GLY 59 Ca 0.27 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3g5p n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g5p s VAL 60 N -2.00 3.10 -1.43 1.61 1.01 -0.82 -4.97 120.40 116.91 3g5p s VAL 60 Ca 0.00 -1.47 -0.09 0.00 0.00 0.00 0.00 61.98 60.42 3g5p s VAL 60 Cb 0.00 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.59 3g5p s VAL 60 CO 0.00 -0.21 2.46 -0.81 0.00 0.00 0.00 175.10 176.54 3g5p n PRO 61 N 4.63 3.90 -4.28 2.72 -0.04 -1.26 -1.49 135.00 139.18 3g5p n PRO 61 Ca -0.11 -2.96 -0.19 0.00 -0.04 0.00 0.00 63.50 60.20 3g5p n PRO 61 Cb 0.43 -2.83 -0.11 0.00 -0.04 0.00 0.00 33.50 30.95 3g5p n PRO 61 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3g5p s ARG 62 N 0.76 1.14 -1.26 0.54 1.81 -1.26 -1.00 118.95 119.68 3g5p s ARG 62 Ca 0.55 -1.34 -0.16 0.00 -1.72 0.00 0.00 55.73 53.06 3g5p s ARG 62 Cb 0.16 -1.05 0.12 0.00 -0.45 0.00 0.00 34.95 33.73 3g5p s ARG 62 CO -0.07 0.20 1.60 1.04 -0.68 0.00 0.00 175.30 177.39 3g5p n GLN 63 N 0.32 3.29 -3.88 3.54 6.02 -0.36 -4.36 117.38 121.93 3g5p n GLN 63 Ca -0.14 -3.56 -0.14 0.00 -0.01 0.00 0.00 57.00 53.15 3g5p n GLN 63 Cb 0.58 -3.26 -0.15 0.00 1.02 0.00 0.00 30.24 28.42 3g5p n GLN 63 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3g5p s VAL 64 N 2.85 0.05 0.10 5.09 1.01 -1.26 -0.45 120.40 127.79 3g5p s VAL 64 Ca 0.48 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.43 3g5p s VAL 64 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 3g5p s VAL 64 CO 0.04 0.06 0.18 -1.48 0.00 0.00 0.00 175.10 173.90 3g5p s LEU 65 N 0.43 1.44 0.07 3.92 0.05 -0.41 -0.75 118.68 123.43 3g5p s LEU 65 Ca -0.04 -0.75 0.02 0.00 0.05 0.00 0.00 54.13 53.41 3g5p s LEU 65 Cb -0.06 0.96 -0.03 0.00 -2.05 0.00 0.00 46.19 45.01 3g5p s LEU 65 CO -0.01 -0.75 -0.07 0.00 -0.55 0.00 0.00 176.35 174.97 3g5p s ALA 66 N -3.89 0.77 -0.04 1.48 0.00 -0.24 -0.90 121.76 118.92 3g5p s ALA 66 Ca 0.08 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 3g5p s ALA 66 Cb 0.05 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.30 3g5p s ALA 66 CO -0.08 -0.13 0.10 -0.51 0.00 0.00 0.00 175.76 175.13 3g5p s LEU 67 N -2.33 1.17 -0.28 0.00 1.43 -0.32 -1.40 118.68 116.95 3g5p s LEU 67 Ca 0.01 0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 53.11 3g5p s LEU 67 Cb -0.02 0.25 0.09 0.00 0.03 0.00 0.00 46.19 46.54 3g5p s LEU 67 CO -0.02 -0.10 0.77 -0.70 0.23 0.00 0.00 176.35 176.53 3g5p s GLU 68 N 0.70 0.69 -0.36 1.70 2.12 0.40 -1.28 118.70 122.67 3g5p s GLU 68 Ca -0.05 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.29 3g5p s GLU 68 Cb -0.07 0.23 0.12 0.00 0.26 0.00 0.00 34.13 34.67 3g5p s GLU 68 CO -0.03 -0.11 0.18 -1.17 -0.54 0.00 0.00 175.26 173.58 3g5p s LEU 69 N 1.02 1.86 0.65 2.70 2.96 -0.39 -4.42 118.68 123.07 3g5p s LEU 69 Ca -0.05 -2.06 -0.16 0.00 -0.22 0.00 0.00 54.13 51.63 3g5p s LEU 69 Cb -0.05 -0.74 -0.00 0.00 0.50 0.00 0.00 46.19 45.90 3g5p s LEU 69 CO -0.11 -0.34 1.15 -2.84 -1.32 0.00 0.00 176.35 172.89 3g5p s PRO 70 N 1.12 2.71 0.25 0.98 0.02 -1.26 -1.36 135.00 137.45 3g5p s PRO 70 Ca 0.14 1.58 -0.05 0.00 0.02 0.00 0.00 61.00 62.70 3g5p s PRO 70 Cb -0.21 -1.92 0.36 0.00 0.02 0.00 0.00 34.50 32.75 3g5p s PRO 70 CO -0.11 -1.36 1.85 1.49 -0.33 0.00 0.00 177.00 178.54 3g5p h GLU 71 N 0.21 0.96 -0.44 5.54 4.81 -1.96 -1.63 114.58 122.07 3g5p h GLU 71 Ca -0.48 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.73 3g5p h GLU 71 Cb 1.27 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 3g5p h GLU 71 CO 0.53 0.63 0.22 0.00 -0.73 0.00 0.00 179.01 179.66 3g5p h ALA 72 N 1.42 0.55 -0.56 2.92 0.00 -1.98 -0.19 119.26 121.42 3g5p h ALA 72 Ca 0.39 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.23 3g5p h ALA 72 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3g5p h ALA 72 CO -0.18 -0.14 0.01 1.25 0.00 0.00 0.00 179.25 180.19 3g5p h LEU 73 N 0.44 0.96 -0.88 0.00 5.85 -1.85 -1.76 115.31 118.06 3g5p h LEU 73 Ca 0.19 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.66 3g5p h LEU 73 Cb 0.09 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 3g5p h LEU 73 CO -0.13 1.03 0.55 0.00 -0.34 0.00 0.00 178.44 179.55 3g5p n ARG 75 N -4.58 0.02 0.28 0.00 1.74 -0.11 -2.04 116.66 111.96 3g5p n ARG 75 Ca 0.12 0.12 0.18 0.00 -0.77 0.00 0.00 57.85 57.50 3g5p n ARG 75 Cb 0.15 -1.53 0.77 0.00 -1.02 0.00 0.00 32.46 30.82 3g5p n ARG 75 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3g5p h GLU 76 N 0.00 0.00 -6.01 5.56 5.08 -0.92 -3.41 114.58 114.88 3g5p h GLU 76 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3g5p h GLU 76 Cb 0.42 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 3g5p h GLU 76 CO 0.00 0.00 0.30 0.00 -1.00 0.00 0.00 179.01 178.31 3g5p n PRO 78 N 4.70 1.16 -0.07 0.00 -0.02 -1.26 -4.61 135.00 134.90 3g5p n PRO 78 Ca 0.03 0.41 0.14 0.00 -2.02 0.00 0.00 63.50 62.06 3g5p n PRO 78 Cb 0.50 -1.77 0.54 0.00 -0.02 0.00 0.00 33.50 32.75 3g5p n PRO 78 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3g5p h PRO 79 N 2.18 0.32 -0.01 0.52 0.13 -1.94 0.49 132.00 133.68 3g5p h PRO 79 Ca -0.39 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3g5p h PRO 79 Cb 1.35 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 3g5p h PRO 79 CO 0.62 0.21 0.00 -0.09 -0.23 0.00 0.00 178.00 178.52 3g5p h ARG 80 N 0.33 0.02 -0.40 0.86 2.43 -2.00 -0.59 114.38 115.03 3g5p h ARG 80 Ca 0.28 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.36 3g5p h ARG 80 Cb 0.65 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3g5p h ARG 80 CO -0.07 0.18 -0.11 0.37 -1.51 0.00 0.00 179.97 178.83 3g5p h GLN 81 N -0.15 0.71 -0.49 0.20 4.15 -1.72 -1.42 115.11 116.39 3g5p h GLN 81 Ca 0.00 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 3g5p h GLN 81 Cb 0.17 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 3g5p h GLN 81 CO -0.00 0.80 0.19 -0.09 -1.93 0.00 0.00 178.83 177.80 3g5p h ARG 82 N 0.65 0.74 -0.25 1.69 2.43 -0.80 -0.91 114.38 117.93 3g5p h ARG 82 Ca 0.11 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3g5p h ARG 82 Cb 0.57 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3g5p h ARG 82 CO 0.04 0.67 -0.03 0.00 -1.51 0.00 0.00 179.97 179.13 3g5p h ALA 83 N 1.04 0.34 -0.48 2.80 0.00 -0.92 -1.41 119.26 120.63 3g5p h ALA 83 Ca 0.16 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3g5p h ALA 83 Cb 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3g5p h ALA 83 CO -0.01 0.11 0.23 1.25 0.00 0.00 0.00 179.25 180.82 3g5p h LEU 84 N 0.22 0.31 -0.16 0.00 5.85 -1.18 -1.51 115.31 118.84 3g5p h LEU 84 Ca 0.07 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3g5p h LEU 84 Cb 0.47 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3g5p h LEU 84 CO 0.02 0.22 0.00 0.54 -0.34 0.00 0.00 178.44 178.88 3g5p n ARG 85 N -4.92 1.11 -3.83 1.25 1.74 -0.35 -4.92 116.66 106.73 3g5p n ARG 85 Ca 0.04 -0.16 -0.24 0.00 -0.77 0.00 0.00 57.85 56.73 3g5p n ARG 85 Cb 0.14 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3g5p n ARG 85 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3g5p n GLN 86 N -0.76 -4.09 -3.23 5.56 6.02 -0.57 -2.61 117.38 117.70 3g5p n GLN 86 Ca 0.21 0.51 -0.40 0.00 -0.01 0.00 0.00 57.00 57.31 3g5p n GLN 86 Cb 0.14 -4.86 -0.08 0.00 1.02 0.00 0.00 30.24 26.47 3g5p n GLN 86 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3g5p s MET 87 N -6.28 4.03 0.09 -1.09 1.75 -0.62 -2.16 119.30 115.01 3g5p s MET 87 Ca 0.02 0.29 0.03 0.00 -1.25 0.00 0.00 55.69 54.78 3g5p s MET 87 Cb -0.01 -3.66 -0.03 0.00 2.84 0.00 0.00 34.83 33.96 3g5p s MET 87 CO 0.85 -0.38 -0.09 -1.21 -0.65 0.00 0.00 175.02 173.54 3g5p s GLU 88 N 2.32 0.79 0.61 4.11 0.41 -1.26 -4.83 118.70 120.85 3g5p s GLU 88 Ca 0.21 -1.11 -0.17 0.00 -0.41 0.00 0.00 54.97 53.49 3g5p s GLU 88 Cb -0.16 -0.46 -0.02 0.00 -1.78 0.00 0.00 34.13 31.71 3g5p s GLU 88 CO 0.09 0.07 1.11 -2.14 -0.49 0.00 0.00 175.26 173.90 3g5p s PRO 89 N -2.70 3.04 0.00 0.39 0.02 -1.26 -4.89 135.00 129.60 3g5p s PRO 89 Ca 0.04 1.44 -0.16 0.00 0.02 0.00 0.00 61.00 62.33 3g5p s PRO 89 Cb -0.03 -1.98 0.03 0.00 0.02 0.00 0.00 34.50 32.54 3g5p s PRO 89 CO -0.01 -1.07 0.35 -0.59 -0.33 0.00 0.00 177.00 175.36 3g5p s PHE 90 N -2.17 -0.21 0.83 6.54 -0.71 -0.46 -4.99 117.98 116.81 3g5p s PHE 90 Ca 0.68 0.25 -0.12 0.00 -1.04 0.00 0.00 56.93 56.71 3g5p s PHE 90 Cb -0.21 0.14 0.09 0.00 -1.21 0.00 0.00 43.02 41.83 3g5p s PHE 90 CO 0.36 -0.46 1.19 -1.25 -1.34 0.00 0.00 175.22 173.72 3g5p s PRO 91 N -1.76 1.83 0.26 1.99 0.04 -1.26 -1.27 135.00 134.83 3g5p s PRO 91 Ca -0.10 0.08 -0.30 0.00 0.04 0.00 0.00 61.00 60.72 3g5p s PRO 91 Cb -0.03 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 3g5p s PRO 91 CO 0.02 -1.68 1.59 -1.17 0.04 0.00 0.00 177.00 175.80 3g5p s LEU 92 N -5.62 4.36 -0.02 -3.56 2.96 -1.26 -4.55 118.68 110.99 3g5p s LEU 92 Ca 0.63 2.87 0.02 0.00 -0.22 0.00 0.00 54.13 57.42 3g5p s LEU 92 Cb -0.11 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.96 3g5p s LEU 92 CO 0.49 -0.89 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.45 3g5p s ARG 93 N -0.04 0.56 -0.10 1.98 0.52 -0.40 -5.01 118.95 116.46 3g5p s ARG 93 Ca 0.65 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.72 3g5p s ARG 93 Cb -0.47 -0.57 -0.01 0.00 0.52 0.00 0.00 34.95 34.43 3g5p s ARG 93 CO 0.43 0.06 -0.19 0.08 0.02 0.00 0.00 175.30 175.70 3g5p s VAL 94 N 0.19 2.53 -0.05 3.52 1.01 -1.26 -1.17 120.40 125.17 3g5p s VAL 94 Ca -0.02 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.16 3g5p s VAL 94 Cb -0.06 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3g5p s VAL 94 CO -0.00 0.55 -0.23 -0.36 0.00 0.00 0.00 175.10 175.06 3g5p s PHE 95 N 0.17 2.46 -0.06 5.22 0.40 -0.08 -4.41 117.98 121.69 3g5p s PHE 95 Ca -0.11 -0.57 0.05 0.00 -0.60 0.00 0.00 56.93 55.71 3g5p s PHE 95 Cb -0.16 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.78 3g5p s PHE 95 CO 0.06 -0.12 -0.23 0.08 0.70 0.00 0.00 175.22 175.72 3g5p s VAL 96 N -0.33 1.90 -1.40 -0.44 1.01 0.72 -1.28 120.40 120.58 3g5p s VAL 96 Ca 0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 3g5p s VAL 96 Cb -0.12 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.66 3g5p s VAL 96 CO 0.02 0.53 0.63 0.59 0.00 0.00 0.00 175.10 176.88 3g5p n ASN 97 N 3.08 -1.44 -4.82 3.32 3.02 0.41 -1.00 115.26 117.83 3g5p n ASN 97 Ca -0.18 -0.90 -0.32 0.00 -0.03 0.00 0.00 54.58 53.15 3g5p n ASN 97 Cb 0.52 -3.58 -0.00 0.00 -0.61 0.00 0.00 39.78 36.11 3g5p n ASN 97 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3g5p s PRO 98 N -6.34 3.54 0.18 3.52 0.04 -1.26 -4.62 135.00 130.06 3g5p s PRO 98 Ca 0.13 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.37 3g5p s PRO 98 Cb -0.07 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3g5p s PRO 98 CO 0.85 -0.62 -0.16 -1.54 0.04 0.00 0.00 177.00 175.56 3g5p s SER 99 N -2.89 2.58 -0.05 6.66 1.04 0.38 -4.97 113.70 116.44 3g5p s SER 99 Ca 0.62 -0.92 0.05 0.00 0.48 0.00 0.00 55.95 56.18 3g5p s SER 99 Cb -0.14 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 3g5p s SER 99 CO 0.35 -0.10 -0.21 -0.22 0.98 0.00 0.00 173.24 174.04 3g5p s LEU 100 N -2.92 1.98 -0.06 2.42 2.96 -1.26 -1.03 118.68 120.78 3g5p s LEU 100 Ca 0.18 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 53.71 3g5p s LEU 100 Cb -0.04 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 3g5p s LEU 100 CO 0.06 0.19 -0.24 -0.60 -1.32 0.00 0.00 176.35 174.45 3g5p s ARG 101 N -0.01 2.56 -0.08 1.98 3.52 -0.19 -4.98 118.95 121.74 3g5p s ARG 101 Ca -0.05 -0.88 -0.23 0.00 -0.13 0.00 0.00 55.73 54.44 3g5p s ARG 101 Cb -0.13 -2.19 -0.04 0.00 -1.56 0.00 0.00 34.95 31.03 3g5p s ARG 101 CO 0.03 0.41 0.68 0.08 -0.81 0.00 0.00 175.30 175.69 3g5p s VAL 102 N -0.22 5.05 -0.16 7.11 1.01 -1.26 -0.58 120.40 131.36 3g5p s VAL 102 Ca -0.02 1.39 0.17 0.00 0.00 0.00 0.00 61.98 63.53 3g5p s VAL 102 Cb -0.13 -4.02 -0.25 0.00 0.00 0.00 0.00 36.38 31.98 3g5p s VAL 102 CO 0.03 0.24 0.13 0.18 0.00 0.00 0.00 175.10 175.69 3g5p n LEU 103 N 3.88 0.00 -3.50 3.92 4.77 0.02 -4.85 117.00 121.24 3g5p n LEU 103 Ca -0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.77 3g5p n LEU 103 Cb 0.51 0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 41.85 3g5p n LEU 103 CO 0.47 0.38 -0.22 -0.62 -1.33 0.00 0.00 177.39 176.07 3g5p s ASP 104 N -5.14 1.61 0.00 -1.43 -1.08 -0.76 -4.94 116.67 104.94 3g5p s ASP 104 Ca -0.09 -0.37 0.24 0.00 -0.52 0.00 0.00 52.55 51.81 3g5p s ASP 104 Cb 0.07 0.29 1.44 0.00 -1.46 0.00 0.00 42.92 43.26 3g5p s ASP 104 CO 0.78 -0.34 1.92 -1.54 0.52 0.00 0.00 175.17 176.51 3g5p n SER 105 N 5.31 0.00 -4.75 -0.34 3.41 -1.26 -2.55 113.62 113.45 3g5p n SER 105 Ca -0.05 -1.22 -0.42 0.00 -0.26 0.00 0.00 58.87 56.92 3g5p n SER 105 Cb 0.49 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 3g5p n SER 105 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3g5p n ARG 106 N -0.88 2.56 -3.52 4.33 0.63 -1.26 -4.75 116.66 113.77 3g5p n ARG 106 Ca 0.18 0.90 -0.36 0.00 -0.92 0.00 0.00 57.85 57.65 3g5p n ARG 106 Cb 0.08 -2.63 -0.06 0.00 0.45 0.00 0.00 32.46 30.31 3g5p n ARG 106 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3g5p s LEU 107 N -1.16 4.41 -0.05 6.15 1.43 -1.26 -0.21 118.68 128.00 3g5p s LEU 107 Ca 0.59 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.61 3g5p s LEU 107 Cb -0.51 -2.81 0.01 0.00 0.03 0.00 0.00 46.19 42.91 3g5p s LEU 107 CO 0.57 0.24 -0.11 -0.69 0.23 0.00 0.00 176.35 176.58 3g5p s VAL 108 N -1.25 1.03 -0.18 -1.59 1.01 0.42 -4.91 120.40 114.93 3g5p s VAL 108 Ca 0.29 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3g5p s VAL 108 Cb -0.15 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.32 3g5p s VAL 108 CO 0.16 0.32 -0.17 -0.89 0.00 0.00 0.00 175.10 174.52 3g5p s THR 109 N 0.39 2.37 0.12 3.92 2.01 -1.26 -0.90 115.64 122.29 3g5p s THR 109 Ca -0.08 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 3g5p s THR 109 Cb -0.12 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 3g5p s THR 109 CO 0.02 0.52 0.17 -0.36 -0.69 0.00 0.00 174.62 174.28 3g5p s PHE 110 N 1.22 0.40 0.32 4.92 0.08 -1.23 -4.93 117.98 118.77 3g5p s PHE 110 Ca 0.03 -0.82 -0.29 0.00 0.12 0.00 0.00 56.93 55.97 3g5p s PHE 110 Cb -0.14 -0.17 -0.10 0.00 -0.57 0.00 0.00 43.02 42.04 3g5p s PHE 110 CO -0.09 -0.58 1.37 -2.14 -0.10 0.00 0.00 175.22 173.69 3g5p s PRO 111 N -3.94 4.29 0.08 0.24 0.02 -1.26 -1.40 135.00 133.04 3g5p s PRO 111 Ca 0.13 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.45 3g5p s PRO 111 Cb 0.05 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 3g5p s PRO 111 CO -0.05 -0.31 -0.04 -1.83 -0.33 0.00 0.00 177.00 174.45 3g5p s GLU 112 N -1.49 0.75 0.00 5.54 -1.05 0.44 -4.91 118.70 117.97 3g5p s GLU 112 Ca 0.52 -1.30 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 3g5p s GLU 112 Cb -0.41 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.30 3g5p s GLU 112 CO 0.52 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 177.06 3g5p n GLY 113 N 0.02 5.94 3.63 -3.83 0.00 -1.26 -1.21 105.19 108.48 3g5p n GLY 113 Ca -0.12 -2.00 -0.05 0.00 0.00 0.00 0.00 46.02 43.85 3g5p n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5p h GLU 115 N 6.91 0.00 -0.17 0.00 4.39 -1.97 -0.96 114.58 122.77 3g5p h GLU 115 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3g5p h GLU 115 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3g5p h GLU 115 CO 0.16 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.44 3g5p n SER 116 N -3.69 1.26 -3.18 1.42 7.64 -1.26 -3.85 113.62 111.96 3g5p n SER 116 Ca -0.01 -1.78 -0.22 0.00 1.01 0.00 0.00 58.87 57.87 3g5p n SER 116 Cb 0.18 -0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.21 3g5p n SER 116 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3g5p n VAL 117 N 0.10 0.44 -1.68 0.44 0.31 -0.37 -0.93 118.33 116.64 3g5p n VAL 117 Ca 0.13 -4.62 -0.45 0.00 -0.01 0.00 0.00 64.34 59.39 3g5p n VAL 117 Cb 0.24 -1.21 -0.03 0.00 -0.91 0.00 0.00 33.84 31.92 3g5p n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g5p n ALA 118 N 0.64 1.56 -0.27 3.52 0.00 -1.22 -3.25 120.51 121.49 3g5p n ALA 118 Ca 0.25 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.11 3g5p n ALA 118 Cb 0.55 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3g5p n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g5p n GLY 119 N 2.86 0.83 3.23 0.00 0.00 -1.26 -5.06 105.19 105.79 3g5p n GLY 119 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 3g5p n GLY 119 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g5p s PHE 120 N -2.08 1.30 0.12 1.61 0.08 -1.20 -1.02 117.98 116.79 3g5p s PHE 120 Ca 0.00 -0.61 0.05 0.00 0.12 0.00 0.00 56.93 56.49 3g5p s PHE 120 Cb 0.00 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.73 3g5p s PHE 120 CO 0.00 0.11 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.60 3g5p s LEU 121 N -2.58 2.42 0.09 -0.37 1.43 -0.47 -4.34 118.68 114.86 3g5p s LEU 121 Ca 0.10 -0.84 -0.19 0.00 -1.03 0.00 0.00 54.13 52.17 3g5p s LEU 121 Cb -0.03 -0.43 0.04 0.00 0.03 0.00 0.00 46.19 45.81 3g5p s LEU 121 CO 0.02 -0.22 0.45 0.00 0.23 0.00 0.00 176.35 176.84 3g5p s ALA 122 N -2.44 -1.12 0.29 4.21 0.00 -0.35 -0.99 121.76 121.37 3g5p s ALA 122 Ca 0.09 0.25 -0.29 0.00 0.00 0.00 0.00 51.96 52.00 3g5p s ALA 122 Cb -0.03 0.56 -0.10 0.00 0.00 0.00 0.00 23.12 23.55 3g5p s ALA 122 CO 0.02 -0.58 1.13 0.00 0.00 0.00 0.00 175.76 176.33 3g5p s VAL 124 N -1.17 0.15 0.24 0.00 1.01 -0.49 -1.20 120.40 118.93 3g5p s VAL 124 Ca 0.46 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 3g5p s VAL 124 Cb -0.33 -0.23 -0.09 0.00 0.00 0.00 0.00 36.38 35.73 3g5p s VAL 124 CO 0.43 0.13 1.00 -2.16 0.00 0.00 0.00 175.10 174.49 3g5p s PRO 125 N 0.88 4.77 0.07 2.72 0.04 -1.26 -3.49 135.00 138.74 3g5p s PRO 125 Ca -0.09 1.60 0.02 0.00 0.04 0.00 0.00 61.00 62.57 3g5p s PRO 125 Cb -0.12 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 3g5p s PRO 125 CO -0.02 0.38 -0.08 1.03 0.04 0.00 0.00 177.00 178.36 3g5p s ARG 126 N -1.14 0.68 0.44 4.56 1.81 -0.08 -4.90 118.95 120.32 3g5p s ARG 126 Ca 0.43 -1.02 -0.25 0.00 -1.72 0.00 0.00 55.73 53.17 3g5p s ARG 126 Cb -0.28 -0.29 -0.08 0.00 -0.45 0.00 0.00 34.95 33.85 3g5p s ARG 126 CO 0.35 0.03 1.30 -0.06 -0.68 0.00 0.00 175.30 176.24 3g5p s PHE 127 N -2.36 2.70 0.30 -0.53 2.99 -1.26 -0.43 117.98 119.39 3g5p s PHE 127 Ca 0.00 1.41 0.06 0.00 0.00 0.00 0.00 56.93 58.40 3g5p s PHE 127 Cb -0.03 -3.67 0.48 0.00 0.00 0.00 0.00 43.02 39.80 3g5p s PHE 127 CO -0.02 -2.21 1.73 0.37 -0.00 0.00 0.00 175.22 175.09 3g5p h GLN 128 N 2.33 0.31 -3.11 0.44 5.75 -0.30 -3.42 115.11 117.10 3g5p h GLN 128 Ca -0.50 -0.13 -0.15 0.00 -0.15 0.00 0.00 58.65 57.72 3g5p h GLN 128 Cb 1.26 -0.01 -0.25 0.00 1.07 0.00 0.00 27.48 29.55 3g5p h GLN 128 CO 0.61 0.61 -0.40 0.00 -2.65 0.00 0.00 178.83 177.00 3g5p s ALA 129 N -4.31 -0.65 0.12 3.38 0.00 -1.07 -1.14 121.76 118.09 3g5p s ALA 129 Ca -0.05 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 3g5p s ALA 129 Cb 0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 3g5p s ALA 129 CO 0.77 -0.14 0.12 0.14 0.00 0.00 0.00 175.76 176.65 3g5p s VAL 130 N -0.10 0.12 -0.11 0.00 -7.23 -0.57 -0.80 120.40 111.71 3g5p s VAL 130 Ca -0.02 -1.65 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 3g5p s VAL 130 Cb -0.03 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.14 3g5p s VAL 130 CO 0.01 -0.56 -0.23 -1.58 -0.31 0.00 0.00 175.10 172.43 3g5p s GLN 131 N -3.97 3.03 -0.17 4.82 0.74 0.26 -0.80 119.66 123.56 3g5p s GLN 131 Ca 0.16 -0.87 -0.08 0.00 0.05 0.00 0.00 55.36 54.62 3g5p s GLN 131 Cb 0.06 -2.33 -0.04 0.00 1.10 0.00 0.00 33.01 31.79 3g5p s GLN 131 CO -0.03 0.12 0.12 -1.50 -0.55 0.00 0.00 175.29 173.45 3g5p s ILE 132 N 0.49 5.31 0.02 -2.34 2.07 -0.18 -1.02 121.20 125.54 3g5p s ILE 132 Ca -0.15 0.15 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 3g5p s ILE 132 Cb -0.17 -3.38 -0.02 0.00 0.13 0.00 0.00 42.46 39.03 3g5p s ILE 132 CO 0.06 0.51 -0.13 -0.94 -1.91 0.00 0.00 174.94 172.52 3g5p s SER 133 N -0.12 1.57 0.00 4.50 1.04 -0.20 -0.81 113.70 119.68 3g5p s SER 133 Ca 0.10 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3g5p s SER 133 Cb -0.12 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.88 3g5p s SER 133 CO 0.00 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.92 3g5p n GLY 134 N 2.27 1.88 3.40 7.32 0.00 0.15 -0.47 105.19 119.75 3g5p n GLY 134 Ca -0.16 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 3g5p n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g5p s LEU 135 N 0.00 2.35 0.88 0.99 1.43 -0.17 -0.44 118.68 123.73 3g5p s LEU 135 Ca 0.00 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.34 3g5p s LEU 135 Cb 0.00 -1.32 0.14 0.00 0.03 0.00 0.00 46.19 45.04 3g5p s LEU 135 CO 0.00 0.22 1.24 1.51 0.23 0.00 0.00 176.35 179.54 3g5p s ASP 136 N -1.70 3.82 0.44 2.29 1.47 0.88 -0.20 116.67 123.67 3g5p s ASP 136 Ca 0.14 0.47 0.30 0.00 1.18 0.00 0.00 52.55 54.63 3g5p s ASP 136 Cb -0.10 -0.74 1.60 0.00 -0.34 0.00 0.00 42.92 43.34 3g5p s ASP 136 CO 0.05 -2.30 1.91 -0.65 0.68 0.00 0.00 175.17 174.86 3g5p h PRO 137 N -1.31 0.00 -0.67 2.11 0.11 -1.90 -0.43 132.00 129.92 3g5p h PRO 137 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3g5p h PRO 137 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3g5p h PRO 137 CO 0.51 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.39 3g5p n ASN 138 N -2.55 3.57 -0.03 -2.05 5.03 -1.26 0.11 115.26 118.08 3g5p n ASN 138 Ca -0.02 -2.00 -0.00 0.00 0.87 0.00 0.00 54.58 53.43 3g5p n ASN 138 Cb 0.06 -0.45 -0.00 0.00 -1.02 0.00 0.00 39.78 38.37 3g5p n ASN 138 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3g5p n GLY 139 N 1.56 0.47 3.78 7.41 0.00 -0.17 -4.61 105.19 113.63 3g5p n GLY 139 Ca 0.22 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3g5p n GLY 139 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g5p s GLU 140 N -0.62 4.49 0.05 1.61 2.02 -1.26 -4.80 118.70 120.18 3g5p s GLU 140 Ca 0.00 1.06 -0.31 0.00 0.02 0.00 0.00 54.97 55.75 3g5p s GLU 140 Cb 0.00 -3.26 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 3g5p s GLU 140 CO 0.00 0.57 1.35 -0.65 0.02 0.00 0.00 175.26 176.54 3g5p s GLN 141 N -1.06 4.33 0.07 1.61 -1.52 -1.26 -0.08 119.66 121.74 3g5p s GLN 141 Ca 0.34 1.95 0.04 0.00 -1.95 0.00 0.00 55.36 55.74 3g5p s GLN 141 Cb -0.22 -3.42 -0.03 0.00 -0.22 0.00 0.00 33.01 29.11 3g5p s GLN 141 CO 0.25 -0.46 -0.13 0.14 -0.25 0.00 0.00 175.29 174.84 3g5p s VAL 142 N 1.71 1.01 -0.00 1.09 -7.23 0.42 -4.89 120.40 112.51 3g5p s VAL 142 Ca 0.63 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 59.44 3g5p s VAL 142 Cb -0.32 -1.06 -0.00 0.00 0.56 0.00 0.00 36.38 35.55 3g5p s VAL 142 CO 0.28 -0.31 0.03 -0.69 -0.31 0.00 0.00 175.10 174.11 3g5p s VAL 143 N -1.50 0.05 -0.10 1.32 1.01 -1.26 -0.67 120.40 119.25 3g5p s VAL 143 Ca -0.02 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 3g5p s VAL 143 Cb -0.09 -0.20 0.05 0.00 0.00 0.00 0.00 36.38 36.15 3g5p s VAL 143 CO 0.02 -0.24 0.20 0.86 0.00 0.00 0.00 175.10 175.93 3g5p s TRP 144 N -0.73 -0.26 -0.19 5.22 -0.00 0.01 -5.00 118.94 117.99 3g5p s TRP 144 Ca -0.08 0.73 -0.17 0.00 -0.00 0.00 0.00 56.10 56.59 3g5p s TRP 144 Cb -0.05 -0.18 -0.04 0.00 -0.00 0.00 0.00 33.47 33.20 3g5p s TRP 144 CO -0.00 -0.30 0.43 -1.14 -0.00 0.00 0.00 176.95 175.94 3g5p s GLN 145 N 2.30 4.19 0.02 5.86 0.74 -1.26 -1.01 119.66 130.49 3g5p s GLN 145 Ca 0.02 0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.70 3g5p s GLN 145 Cb -0.12 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 3g5p s GLN 145 CO -0.07 -0.05 -0.03 0.00 -0.55 0.00 0.00 175.29 174.59 3g5p s ALA 146 N 1.33 0.18 0.36 1.58 0.00 0.02 -5.02 121.76 120.21 3g5p s ALA 146 Ca 0.21 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.72 3g5p s ALA 146 Cb -0.15 0.09 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 3g5p s ALA 146 CO 0.08 -0.10 0.06 -1.54 0.00 0.00 0.00 175.76 174.26 3g5p s SER 147 N -1.14 2.82 0.68 0.00 1.04 -1.26 -1.52 113.70 114.32 3g5p s SER 147 Ca -0.11 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.88 3g5p s SER 147 Cb -0.08 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.03 3g5p s SER 147 CO -0.01 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.18 3g5p n GLY 148 N -0.81 2.00 0.28 7.32 0.00 -0.29 -2.84 105.19 110.85 3g5p n GLY 148 Ca -0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 3g5p n GLY 148 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3g5p h TRP 149 N 0.00 0.63 -0.81 1.61 2.91 -1.18 -1.59 115.95 117.53 3g5p h TRP 149 Ca 0.00 -0.06 -0.02 0.00 1.13 0.00 0.00 58.89 59.95 3g5p h TRP 149 Cb 0.00 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 28.43 3g5p h TRP 149 CO 0.00 0.57 0.43 0.00 -1.03 0.00 0.00 178.44 178.42 3g5p h ALA 150 N 1.47 1.04 -0.47 2.65 0.00 -1.74 -1.66 119.26 120.55 3g5p h ALA 150 Ca 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3g5p h ALA 150 Cb 0.29 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3g5p h ALA 150 CO 0.00 0.57 0.18 0.00 0.00 0.00 0.00 179.25 180.00 3g5p h ALA 151 N 1.23 1.43 -0.40 0.00 0.00 -1.19 -1.64 119.26 118.69 3g5p h ALA 151 Ca 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3g5p h ALA 151 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3g5p h ALA 151 CO -0.04 0.43 0.16 -0.09 0.00 0.00 0.00 179.25 179.71 3g5p h ARG 152 N 0.67 0.60 -0.60 0.00 2.43 -0.82 -1.62 114.38 115.05 3g5p h ARG 152 Ca 0.16 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 3g5p h ARG 152 Cb 0.15 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3g5p h ARG 152 CO -0.01 0.56 0.03 0.82 -1.51 0.00 0.00 179.97 179.86 3g5p h ILE 153 N 0.50 1.26 -0.23 1.20 1.08 -1.06 0.00 117.51 120.27 3g5p h ILE 153 Ca 0.13 -1.10 0.04 0.00 -0.39 0.00 0.00 64.86 63.54 3g5p h ILE 153 Cb 0.18 0.79 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 3g5p h ILE 153 CO -0.01 0.40 -0.02 0.40 -0.69 0.00 0.00 178.15 178.23 3g5p h ILE 154 N 0.94 0.81 -0.41 -0.67 2.04 -1.17 -1.06 117.51 117.97 3g5p h ILE 154 Ca 0.17 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.93 3g5p h ILE 154 Cb 0.52 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3g5p h ILE 154 CO 0.02 0.01 -0.10 1.56 0.00 0.00 0.00 178.15 179.65 3g5p h GLN 155 N 0.04 0.73 -0.61 2.37 4.20 -0.82 0.83 115.11 121.84 3g5p h GLN 155 Ca 0.11 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 3g5p h GLN 155 Cb 0.15 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3g5p h GLN 155 CO -0.21 0.80 0.08 1.25 -0.67 0.00 0.00 178.83 180.09 3g5p h HIS 156 N 0.66 1.09 -0.15 2.96 2.76 -0.52 -1.75 115.15 120.21 3g5p h HIS 156 Ca 0.12 -0.16 -0.19 0.00 -2.20 0.00 0.00 60.37 57.94 3g5p h HIS 156 Cb 0.55 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.21 3g5p h HIS 156 CO 0.03 0.94 -0.69 0.93 -1.30 0.00 0.00 177.93 177.84 3g5p h GLU 157 N 0.93 0.62 -0.86 5.26 4.39 -0.89 -2.33 114.58 121.70 3g5p h GLU 157 Ca 0.18 -0.47 0.01 0.00 0.34 0.00 0.00 59.36 59.43 3g5p h GLU 157 Cb 0.45 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 3g5p h GLU 157 CO 0.02 1.09 0.57 0.52 -1.16 0.00 0.00 179.01 180.04 3g5p h MET 158 N 0.44 1.12 -0.80 2.33 2.86 -0.79 -1.66 114.93 118.44 3g5p h MET 158 Ca -0.03 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3g5p h MET 158 Cb 1.28 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 32.65 3g5p h MET 158 CO 0.13 0.74 0.51 -0.44 1.06 0.00 0.00 176.91 178.91 3g5p h ASP 159 N 1.16 0.94 -0.42 1.22 3.32 -1.12 -1.13 116.42 120.39 3g5p h ASP 159 Ca 0.31 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 3g5p h ASP 159 Cb -0.13 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 3g5p h ASP 159 CO -0.07 0.70 0.17 0.45 -1.72 0.00 0.00 179.24 178.78 3g5p h HIS 160 N 1.10 0.68 0.00 4.55 3.86 -0.75 -0.19 115.15 124.40 3g5p h HIS 160 Ca 0.29 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3g5p h HIS 160 Cb -0.09 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.17 3g5p h HIS 160 CO 0.00 0.55 0.00 -0.07 0.86 0.00 0.00 177.93 179.27 3g5p h LEU 161 N 0.68 0.00 -2.27 2.43 3.38 -0.90 -2.51 115.31 116.12 3g5p h LEU 161 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3g5p h LEU 161 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3g5p h LEU 161 CO -0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.52 3g5p n GLN 162 N -3.04 2.46 -0.93 1.13 1.13 -0.25 -1.37 117.38 116.50 3g5p n GLN 162 Ca 0.01 -2.23 0.00 0.00 -1.94 0.00 0.00 57.00 52.84 3g5p n GLN 162 Cb 0.29 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.14 3g5p n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g5p n GLY 163 N 1.50 0.44 3.56 1.08 0.00 -0.88 -4.51 105.19 106.38 3g5p n GLY 163 Ca 0.20 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 3g5p n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5p s LEU 165 N 0.29 3.23 0.59 0.00 1.43 -1.26 -3.28 118.68 119.68 3g5p s LEU 165 Ca -0.00 -0.66 0.29 0.00 -1.03 0.00 0.00 54.13 52.73 3g5p s LEU 165 Cb -0.13 -1.74 1.77 0.00 0.03 0.00 0.00 46.19 46.11 3g5p s LEU 165 CO 0.02 -0.06 2.22 2.19 0.23 0.00 0.00 176.35 180.95 3g5p h PHE 166 N 1.80 0.00 0.00 0.29 -5.15 -1.94 0.19 116.94 112.13 3g5p h PHE 166 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 3g5p h PHE 166 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 3g5p h PHE 166 CO 0.67 0.00 0.00 0.44 -2.00 0.00 0.00 178.31 177.42 3g5p n ILE 167 N -3.87 1.19 0.35 0.88 -5.35 -1.26 -1.47 119.36 109.83 3g5p n ILE 167 Ca -0.02 0.30 0.12 0.00 -0.27 0.00 0.00 62.75 62.88 3g5p n ILE 167 Cb 0.13 -1.10 0.12 0.00 -1.74 0.00 0.00 39.64 37.05 3g5p n ILE 167 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3g5p h ASP 168 N 0.00 0.00 -0.00 7.28 3.32 -1.36 -3.36 116.42 122.30 3g5p h ASP 168 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3g5p h ASP 168 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3g5p h ASP 168 CO 0.00 0.05 -0.00 0.29 -1.72 0.00 0.00 179.24 177.86 3g5p n LYS 169 N -2.47 0.60 -1.64 3.56 5.02 -0.56 -5.07 118.16 117.60 3g5p n LYS 169 Ca 0.02 -0.40 -0.31 0.00 -2.02 0.00 0.00 58.31 55.60 3g5p n LYS 169 Cb 0.49 -0.90 0.04 0.00 -0.02 0.00 0.00 35.03 34.64 3g5p n LYS 169 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g5p s MET 170 N -0.20 3.10 -0.67 1.97 0.23 -0.54 -4.53 119.30 118.64 3g5p s MET 170 Ca 0.00 0.91 -0.27 0.00 -1.03 0.00 0.00 55.69 55.30 3g5p s MET 170 Cb 0.00 -2.01 0.02 0.00 -1.53 0.00 0.00 34.83 31.31 3g5p s MET 170 CO 0.00 -0.97 1.33 0.34 -2.03 0.00 0.00 175.02 173.69 3g5p s ASP 171 N -3.88 6.13 0.53 -1.18 -1.08 -0.34 -4.91 116.67 111.94 3g5p s ASP 171 Ca 0.57 -0.17 0.27 0.00 -0.52 0.00 0.00 52.55 52.70 3g5p s ASP 171 Cb -0.13 -2.55 1.49 0.00 -1.46 0.00 0.00 42.92 40.27 3g5p s ASP 171 CO 0.55 -1.80 2.10 0.77 0.52 0.00 0.00 175.17 177.31 3g5p h SER 172 N 10.51 0.00 0.45 -0.34 4.64 -1.93 -0.97 113.55 125.91 3g5p h SER 172 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3g5p h SER 172 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3g5p h SER 172 CO 1.24 0.10 0.00 0.54 -0.87 0.00 0.00 176.83 177.84 3g5p n ARG 173 N -3.72 0.06 0.00 4.77 1.74 -1.26 -2.21 116.66 116.04 3g5p n ARG 173 Ca -0.02 0.22 0.09 0.00 -0.77 0.00 0.00 57.85 57.37 3g5p n ARG 173 Cb 0.21 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.20 3g5p n ARG 173 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3g5p n THR 174 N -1.44 0.00 -1.82 0.55 -2.24 -0.37 -4.97 114.28 103.99 3g5p n THR 174 Ca 0.05 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 3g5p n THR 174 Cb 0.16 1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 69.69 3g5p n THR 174 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3g5p s PHE 175 N -1.78 2.80 -0.10 4.78 5.36 -0.94 -4.41 117.98 123.70 3g5p s PHE 175 Ca 0.19 0.82 -0.20 0.00 -0.96 0.00 0.00 56.93 56.78 3g5p s PHE 175 Cb 0.15 -4.02 0.04 0.00 -0.34 0.00 0.00 43.02 38.85 3g5p s PHE 175 CO 0.32 -3.44 0.48 -0.08 -1.46 0.00 0.00 175.22 171.05 3g5p s THR 176 N 0.02 0.02 0.55 0.12 -1.32 -0.16 -4.99 115.64 109.87 3g5p s THR 176 Ca 0.63 -0.16 -0.22 0.00 -1.21 0.00 0.00 61.69 60.73 3g5p s THR 176 Cb -0.47 -0.74 -0.05 0.00 -1.51 0.00 0.00 72.50 69.74 3g5p s THR 176 CO 0.47 -0.09 1.34 0.20 -2.21 0.00 0.00 174.62 174.33 3g5p s ASN 177 N -0.60 5.29 0.57 8.08 0.01 -1.26 -1.36 114.94 125.67 3g5p s ASN 177 Ca -0.07 2.73 0.37 0.00 -0.71 0.00 0.00 52.86 55.18 3g5p s ASN 177 Cb -0.03 -2.63 1.82 0.00 0.41 0.00 0.00 41.25 40.82 3g5p s ASN 177 CO 0.04 -1.55 2.13 -0.37 -1.51 0.00 0.00 177.10 175.84 3g5p h VAL 178 N 1.43 0.00 -0.04 1.60 -1.51 -1.42 -1.65 116.25 114.65 3g5p h VAL 178 Ca -0.51 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 3g5p h VAL 178 Cb 1.30 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 3g5p h VAL 178 CO 0.57 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.91 3g5p n TYR 179 N -2.98 0.04 -4.61 5.19 0.18 -1.26 -4.60 117.16 109.12 3g5p n TYR 179 Ca -0.01 -0.02 -0.33 0.00 1.88 0.00 0.00 57.90 59.41 3g5p n TYR 179 Cb 0.18 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.01 3g5p n TYR 179 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 3g5p s TRP 180 N -1.96 2.91 0.09 -3.48 0.52 -0.62 -5.12 118.94 111.28 3g5p s TRP 180 Ca 0.34 -0.30 -0.14 0.00 0.02 0.00 0.00 56.10 56.01 3g5p s TRP 180 Cb 0.17 -1.83 0.02 0.00 -1.15 0.00 0.00 33.47 30.68 3g5p s TRP 180 CO 0.27 0.03 0.34 0.00 0.02 0.00 0.00 176.95 177.60 3g5p s MET 181 N -0.04 0.95 -0.06 4.98 0.23 -1.26 -4.81 119.30 119.29 3g5p s MET 181 Ca -0.01 -0.69 -0.15 0.00 -1.03 0.00 0.00 55.69 53.82 3g5p s MET 181 Cb -0.14 0.41 -0.05 0.00 -1.53 0.00 0.00 34.83 33.52 3g5p s MET 181 CO 0.03 -0.34 0.38 0.15 -2.03 0.00 0.00 175.02 173.21 3g5p s LYS 182 N -3.43 4.01 0.25 3.16 1.02 -1.26 -5.08 119.74 118.41 3g5p s LYS 182 Ca 0.01 0.32 0.08 0.00 0.02 0.00 0.00 55.97 56.40 3g5p s LYS 182 Cb 0.02 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 3g5p s LYS 182 CO -0.09 0.53 -0.11 0.14 -0.92 0.00 0.00 175.35 174.90 3g5p s VAL 183 N -0.51 1.75 0.01 3.17 -7.23 -1.26 -5.13 120.40 111.20 3g5p s VAL 183 Ca 0.22 -2.18 -0.30 0.00 -1.81 0.00 0.00 61.98 57.90 3g5p s VAL 183 Cb -0.15 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 3g5p s VAL 183 CO 0.10 -0.43 1.15 0.20 -0.31 0.00 0.00 175.10 175.82 3g5p s ASN 184 N -3.40 7.13 0.00 4.85 0.01 -1.26 -5.36 114.94 116.91 3g5p s ASN 184 Ca 0.27 1.87 0.10 0.00 -0.71 0.00 0.00 52.86 54.38 3g5p s ASN 184 Cb 0.01 -2.57 0.59 0.00 0.41 0.00 0.00 41.25 39.69 3g5p s ASN 184 CO 0.10 -0.47 1.04 0.47 -1.51 0.00 0.00 177.10 176.73