#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 2.20 0.18 -0.41 1.00 -1.26 -5.10 119.30 115.91 3g5p s MET 4 Ca 0.00 0.79 0.01 0.00 0.00 0.00 0.00 55.69 56.49 3g5p s MET 4 Cb 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 34.83 32.87 3g5p s MET 4 CO 0.00 -1.58 0.05 0.45 0.00 0.00 0.00 175.02 173.95 3g5p s SER 5 N -3.76 0.81 -0.06 3.03 0.15 -1.26 -5.15 113.70 107.47 3g5p s SER 5 Ca 0.60 -1.26 -0.04 0.00 0.70 0.00 0.00 55.95 55.96 3g5p s SER 5 Cb -0.15 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.33 3g5p s SER 5 CO 0.55 -0.68 0.12 -0.36 1.20 0.00 0.00 173.24 174.07 3g5p s PHE 6 N -3.86 3.46 0.14 3.44 0.40 -1.26 -5.10 117.98 115.21 3g5p s PHE 6 Ca 0.29 0.36 0.08 0.00 -0.60 0.00 0.00 56.93 57.06 3g5p s PHE 6 Cb 0.07 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 3g5p s PHE 6 CO 0.06 0.64 -0.19 -1.12 0.70 0.00 0.00 175.22 175.31 3g5p s SER 7 N -1.45 2.59 0.03 1.36 0.01 -1.26 -5.15 113.70 109.83 3g5p s SER 7 Ca 0.20 -0.80 0.02 0.00 1.31 0.00 0.00 55.95 56.68 3g5p s SER 7 Cb -0.12 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.94 3g5p s SER 7 CO 0.10 -0.01 -0.07 -1.38 0.41 0.00 0.00 173.24 172.29 3g5p s HIS 8 N -1.79 0.61 -0.29 2.43 -3.43 -1.26 -5.11 115.29 106.46 3g5p s HIS 8 Ca 0.12 -0.43 -0.17 0.00 -0.80 0.00 0.00 55.06 53.78 3g5p s HIS 8 Cb -0.07 -0.37 -0.02 0.00 -1.43 0.00 0.00 32.58 30.68 3g5p s HIS 8 CO 0.06 -0.07 0.49 0.08 -2.00 0.00 0.00 174.74 173.29 3g5p s VAL 9 N -1.15 5.07 0.40 -5.38 1.01 -1.26 -4.51 120.40 114.58 3g5p s VAL 9 Ca -0.08 0.69 -0.27 0.00 0.00 0.00 0.00 61.98 62.32 3g5p s VAL 9 Cb -0.09 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 3g5p s VAL 9 CO 0.00 0.02 1.44 0.00 0.00 0.00 0.00 175.10 176.56 3g5p s GLN 11 N -2.20 2.67 0.22 0.00 -1.52 -1.26 -4.34 119.66 113.23 3g5p s GLN 11 Ca 0.55 -1.15 -0.32 0.00 -1.95 0.00 0.00 55.36 52.49 3g5p s GLN 11 Cb -0.44 -2.42 -0.13 0.00 -0.22 0.00 0.00 33.01 29.79 3g5p s GLN 11 CO 0.59 0.40 1.54 1.55 -0.25 0.00 0.00 175.29 179.13 3g5p n VAL 12 N -0.89 0.51 0.00 1.09 3.14 -0.17 -1.76 118.33 120.25 3g5p n VAL 12 Ca -0.08 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 3g5p n VAL 12 Cb 0.58 -1.66 0.00 0.00 -1.06 0.00 0.00 33.84 31.70 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 2.83 2.88 3.67 7.55 0.00 -1.26 -5.08 105.19 115.77 3g5p n GLY 13 Ca 0.13 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.12 6.57 0.60 1.61 -1.08 -0.72 -4.88 116.67 118.65 3g5p s ASP 14 Ca 0.00 2.45 0.39 0.00 -0.52 0.00 0.00 52.55 54.88 3g5p s ASP 14 Cb 0.00 -2.54 1.99 0.00 -1.46 0.00 0.00 42.92 40.91 3g5p s ASP 14 CO 0.00 -0.97 2.19 1.55 0.52 0.00 0.00 175.17 178.47 3g5p h PRO 15 N 9.68 0.00 -0.06 4.34 0.13 -1.98 -1.95 132.00 142.16 3g5p h PRO 15 Ca -0.44 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 3g5p h PRO 15 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3g5p h PRO 15 CO 0.94 0.00 0.06 -0.24 -0.23 0.00 0.00 178.00 178.54 3g5p h VAL 16 N 0.00 0.51 -0.00 1.56 3.04 -1.93 -0.92 116.25 118.51 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 0.17 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 3g5p h VAL 16 CO 0.00 0.00 -0.12 0.18 -1.01 0.00 0.00 177.57 176.62 3g5p n LEU 17 N -3.84 0.16 -0.16 3.16 4.77 -0.73 -3.44 117.00 116.91 3g5p n LEU 17 Ca -0.02 0.32 0.02 0.00 -0.03 0.00 0.00 56.01 56.30 3g5p n LEU 17 Cb 0.16 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 3g5p n LEU 17 CO 0.27 0.04 0.28 0.54 -1.33 0.00 0.00 177.39 177.20 3g5p n ARG 18 N -1.41 0.32 -2.24 3.23 3.00 -0.39 -4.13 116.66 115.04 3g5p n ARG 18 Ca 0.08 -0.69 -0.26 0.00 -0.01 0.00 0.00 57.85 56.98 3g5p n ARG 18 Cb 0.32 -1.04 0.11 0.00 0.00 0.00 0.00 32.46 31.85 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 -0.50 1.74 -0.31 -0.13 0.00 -1.00 -4.52 107.32 102.60 3g5p s GLY 19 Ca 0.05 -1.23 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 3g5p s GLY 19 CO 0.07 -0.68 0.21 0.14 0.00 0.00 0.00 173.10 172.84 3g5p s VAL 20 N -3.39 5.23 0.40 1.40 1.01 -1.26 -2.41 120.40 121.39 3g5p s VAL 20 Ca 0.66 -0.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.32 3g5p s VAL 20 Cb -0.07 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 3g5p s VAL 20 CO 0.47 0.12 1.42 0.00 0.00 0.00 0.00 175.10 177.11 3g5p s ALA 21 N 1.73 3.39 0.49 5.51 0.00 -0.65 -4.97 121.76 127.25 3g5p s ALA 21 Ca 0.06 1.45 -0.20 0.00 0.00 0.00 0.00 51.96 53.27 3g5p s ALA 21 Cb -0.17 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 19.30 3g5p s ALA 21 CO 0.10 -1.03 1.02 0.00 0.00 0.00 0.00 175.76 175.85 3g5p s ALA 22 N -1.18 2.91 0.71 0.00 0.00 -0.26 -4.62 121.76 119.32 3g5p s ALA 22 Ca 0.56 0.51 -0.14 0.00 0.00 0.00 0.00 51.96 52.89 3g5p s ALA 22 Cb -0.43 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.50 3g5p s ALA 22 CO 0.57 -0.26 1.12 -1.25 0.00 0.00 0.00 175.76 175.94 3g5p s PRO 23 N -3.37 2.45 0.04 0.00 0.04 -1.26 -0.77 135.00 132.13 3g5p s PRO 23 Ca 0.65 1.40 -0.28 0.00 0.04 0.00 0.00 61.00 62.81 3g5p s PRO 23 Cb -0.14 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 3g5p s PRO 23 CO 0.21 -1.52 0.88 0.08 0.04 0.00 0.00 177.00 176.69 3g5p s VAL 24 N -2.45 4.74 0.40 -0.36 1.01 -1.26 -4.78 120.40 117.69 3g5p s VAL 24 Ca 0.66 1.87 -0.24 0.00 0.00 0.00 0.00 61.98 64.27 3g5p s VAL 24 Cb -0.21 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 31.85 3g5p s VAL 24 CO 0.47 0.28 1.03 -1.61 0.00 0.00 0.00 175.10 175.26 3g5p s GLU 25 N 0.39 4.19 0.32 2.72 0.41 -1.26 -4.93 118.70 120.53 3g5p s GLU 25 Ca 0.45 1.46 0.10 0.00 -0.41 0.00 0.00 54.97 56.56 3g5p s GLU 25 Cb -0.21 -2.51 0.92 0.00 -1.78 0.00 0.00 34.13 30.54 3g5p s GLU 25 CO 0.26 -0.11 1.69 0.00 -0.49 0.00 0.00 175.26 176.61 3g5p h ARG 26 N 2.47 0.38 0.00 1.61 2.47 -1.98 0.49 114.38 119.82 3g5p h ARG 26 Ca -0.48 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 3g5p h ARG 26 Cb 1.21 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 3g5p h ARG 26 CO 0.62 0.25 0.00 0.00 0.56 0.00 0.00 179.97 181.41 3g5p h ALA 27 N 1.78 1.00 0.00 0.04 0.00 -2.04 -2.19 119.26 117.85 3g5p h ALA 27 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 3g5p h ALA 27 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3g5p h ALA 27 CO -0.56 0.00 -0.45 1.96 0.00 0.00 0.00 179.25 180.20 3g5p h GLN 28 N 0.00 0.00 -6.66 0.00 1.08 -1.27 -3.45 115.11 104.81 3g5p h GLN 28 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 3g5p h GLN 28 Cb 0.44 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.92 3g5p h GLN 28 CO 0.00 0.00 0.86 -0.51 -0.95 0.00 0.00 178.83 178.23 3g5p s LEU 29 N -4.56 4.37 0.00 1.46 1.43 -0.83 -1.63 118.68 118.92 3g5p s LEU 29 Ca 0.07 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 3g5p s LEU 29 Cb 0.12 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.74 3g5p s LEU 29 CO 0.69 -0.82 0.00 0.61 0.23 0.00 0.00 176.35 177.06 3g5p n GLY 30 N 3.26 1.11 3.90 -3.19 0.00 0.22 -4.95 105.19 105.53 3g5p n GLY 30 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 1.61 0.25 -0.02 0.00 -0.65 -4.91 107.32 101.61 3g5p s GLY 31 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 44.72 44.14 3g5p s GLY 31 CO 0.00 -0.21 1.89 -0.56 0.00 0.00 0.00 173.10 174.22 3g5p h PRO 32 N -0.36 1.23 -0.44 2.90 0.13 -1.95 -0.99 132.00 132.52 3g5p h PRO 32 Ca -0.45 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 64.53 3g5p h PRO 32 Cb 1.25 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 3g5p h PRO 32 CO 0.62 0.87 0.15 1.49 -0.23 0.00 0.00 178.00 180.90 3g5p h GLU 33 N 1.24 0.67 -0.41 0.86 4.81 -1.95 0.15 114.58 119.96 3g5p h GLU 33 Ca 0.32 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 3g5p h GLU 33 Cb -0.03 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3g5p h GLU 33 CO -0.06 0.65 -0.30 1.25 -0.73 0.00 0.00 179.01 179.81 3g5p h LEU 34 N 0.57 0.95 -0.92 1.64 5.85 -1.78 -2.05 115.31 119.56 3g5p h LEU 34 Ca 0.14 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.51 3g5p h LEU 34 Cb 0.24 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 3g5p h LEU 34 CO -0.01 1.17 0.60 1.56 -0.34 0.00 0.00 178.44 181.42 3g5p h GLN 35 N 0.76 1.12 -0.52 1.25 4.20 -0.86 -0.34 115.11 120.72 3g5p h GLN 35 Ca 0.08 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3g5p h GLN 35 Cb 0.88 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 3g5p h GLN 35 CO 0.08 0.74 0.20 -0.09 -0.67 0.00 0.00 178.83 179.09 3g5p h ARG 36 N 1.15 0.78 0.12 1.46 2.43 -0.44 -1.12 114.38 118.77 3g5p h ARG 36 Ca 0.37 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3g5p h ARG 36 Cb 0.02 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3g5p h ARG 36 CO -0.12 0.70 -0.06 1.25 -1.51 0.00 0.00 179.97 180.23 3g5p h LEU 37 N 0.70 -0.14 -0.94 3.80 5.85 -1.04 -1.18 115.31 122.37 3g5p h LEU 37 Ca 0.17 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3g5p h LEU 37 Cb 0.22 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3g5p h LEU 37 CO -0.01 0.05 0.61 0.71 -0.34 0.00 0.00 178.44 179.46 3g5p h THR 38 N -0.32 1.18 -0.86 1.05 1.35 -0.95 -0.83 112.91 113.53 3g5p h THR 38 Ca -0.02 -0.41 -0.03 0.00 -0.55 0.00 0.00 66.41 65.40 3g5p h THR 38 Cb 0.26 -0.13 -0.04 0.00 -1.73 0.00 0.00 68.15 66.51 3g5p h THR 38 CO 0.03 0.22 0.43 -0.61 -0.25 0.00 0.00 175.52 175.34 3g5p h GLN 39 N 1.21 1.22 -0.37 4.72 4.15 -1.10 -1.74 115.11 123.19 3g5p h GLN 39 Ca 0.37 -0.16 -0.14 0.00 0.77 0.00 0.00 58.65 59.48 3g5p h GLN 39 Cb -0.04 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 3g5p h GLN 39 CO -0.11 0.92 -0.32 -0.09 -1.93 0.00 0.00 178.83 177.30 3g5p h ARG 40 N 1.21 0.87 -0.59 1.69 9.65 -0.68 -0.55 114.38 125.98 3g5p h ARG 40 Ca 0.30 -0.44 -0.00 0.00 -1.10 0.00 0.00 59.98 58.73 3g5p h ARG 40 Cb 0.08 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 3g5p h ARG 40 CO -0.04 1.09 0.36 -0.07 2.80 0.00 0.00 179.97 184.11 3g5p h LEU 41 N 0.68 0.71 -0.59 3.80 3.38 -0.94 -1.31 115.31 121.05 3g5p h LEU 41 Ca 0.07 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3g5p h LEU 41 Cb 0.90 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3g5p h LEU 41 CO 0.08 0.55 -0.04 0.58 0.09 0.00 0.00 178.44 179.70 3g5p h VAL 42 N 0.80 1.27 -0.72 1.22 2.07 -1.10 -1.07 116.25 118.72 3g5p h VAL 42 Ca 0.21 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 3g5p h VAL 42 Cb -0.03 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3g5p h VAL 42 CO -0.04 0.43 0.31 -0.61 0.02 0.00 0.00 177.57 177.69 3g5p h GLN 43 N 0.96 1.06 -0.47 1.57 4.15 -0.85 -0.01 115.11 121.53 3g5p h GLN 43 Ca 0.16 -0.18 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 3g5p h GLN 43 Cb 0.61 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 3g5p h GLN 43 CO 0.04 0.86 -0.21 0.28 -1.93 0.00 0.00 178.83 177.87 3g5p h VAL 44 N 1.02 1.27 -0.71 2.39 2.07 -0.99 -1.15 116.25 120.15 3g5p h VAL 44 Ca 0.24 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 3g5p h VAL 44 Cb 0.17 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3g5p h VAL 44 CO -0.02 0.47 0.21 -0.03 0.02 0.00 0.00 177.57 178.22 3g5p h MET 45 N 0.82 1.12 -0.15 1.57 1.85 -0.99 -0.99 114.93 118.16 3g5p h MET 45 Ca 0.11 -0.25 -0.20 0.00 -0.61 0.00 0.00 59.70 58.75 3g5p h MET 45 Cb 0.78 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.66 3g5p h MET 45 CO 0.07 0.96 -0.70 0.00 -0.40 0.00 0.00 176.91 176.83 3g5p h ARG 46 N 1.06 0.63 -0.62 0.39 3.08 -0.78 -1.29 114.38 116.85 3g5p h ARG 46 Ca 0.23 -0.48 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 3g5p h ARG 46 Cb 0.32 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3g5p h ARG 46 CO -0.01 1.10 0.33 0.00 -1.07 0.00 0.00 179.97 180.33 3g5p h ARG 47 N 0.44 0.87 -0.01 0.04 3.08 -0.82 -2.81 114.38 115.18 3g5p h ARG 47 Ca -0.03 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3g5p h ARG 47 Cb 1.30 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3g5p h ARG 47 CO 0.14 0.67 -0.12 0.54 -1.07 0.00 0.00 179.97 180.13 3g5p n ARG 48 N -4.54 0.81 -2.76 0.04 5.12 -0.41 -4.94 116.66 109.98 3g5p n ARG 48 Ca 0.04 -0.32 -0.20 0.00 -1.93 0.00 0.00 57.85 55.44 3g5p n ARG 48 Cb 0.10 -1.49 0.01 0.00 -1.16 0.00 0.00 32.46 29.91 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 -0.81 -3.10 -3.26 5.56 1.74 -0.54 -5.00 116.66 111.24 3g5p n ARG 49 Ca 0.15 0.80 -0.35 0.00 -0.77 0.00 0.00 57.85 57.68 3g5p n ARG 49 Cb 0.29 -5.52 -0.06 0.00 -1.02 0.00 0.00 32.46 26.15 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 2.61 0.16 -3.98 0.00 2.07 -1.87 -3.43 116.25 111.80 3g5p h VAL 51 Ca -0.48 -1.22 -0.12 0.00 0.82 0.00 0.00 66.70 65.70 3g5p h VAL 51 Cb 1.19 2.05 -0.13 0.00 -1.52 0.00 0.00 31.29 32.88 3g5p h VAL 51 CO 0.66 0.09 -0.39 -0.83 0.02 0.00 0.00 177.57 177.11 3g5p s GLY 52 N -4.27 0.54 0.01 2.17 0.00 -1.26 -0.69 107.32 103.82 3g5p s GLY 52 Ca 0.06 -0.97 -0.28 0.00 0.00 0.00 0.00 44.72 43.52 3g5p s GLY 52 CO 0.69 -0.94 0.69 -2.27 0.00 0.00 0.00 173.10 171.27 3g5p s LEU 53 N -2.97 -0.60 0.19 0.66 2.96 -0.61 -4.98 118.68 113.32 3g5p s LEU 53 Ca 0.17 0.45 0.09 0.00 -0.22 0.00 0.00 54.13 54.62 3g5p s LEU 53 Cb 0.04 2.49 -0.04 0.00 0.50 0.00 0.00 46.19 49.17 3g5p s LEU 53 CO -0.01 -0.70 -0.17 -0.94 -1.32 0.00 0.00 176.35 173.21 3g5p s SER 54 N -1.70 2.73 0.30 3.68 1.04 -1.26 -0.99 113.70 117.50 3g5p s SER 54 Ca -0.06 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.45 3g5p s SER 54 Cb -0.00 -0.16 0.46 0.00 0.10 0.00 0.00 66.02 66.41 3g5p s SER 54 CO 0.02 -0.07 1.86 0.00 0.98 0.00 0.00 173.24 176.03 3g5p h ALA 55 N 2.97 1.29 -0.39 5.32 0.00 -1.24 -1.55 119.26 125.66 3g5p h ALA 55 Ca -0.41 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.44 3g5p h ALA 55 Cb 1.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3g5p h ALA 55 CO 0.55 0.51 0.32 -1.35 0.00 0.00 0.00 179.25 179.28 3g5p h PRO 56 N 0.77 0.00 0.00 0.00 0.11 -1.45 0.13 132.00 131.56 3g5p h PRO 56 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3g5p h PRO 56 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3g5p h PRO 56 CO -0.01 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.74 3g5p h GLN 57 N 0.00 0.00 -0.64 1.05 4.20 -1.56 -0.57 115.11 117.59 3g5p h GLN 57 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3g5p h GLN 57 Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 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 -2.39 4.15 0.00 1.46 4.77 -0.05 -0.26 117.00 124.68 3g5p n LEU 58 Ca 0.04 -2.09 0.00 0.00 -0.03 0.00 0.00 56.01 53.93 3g5p n LEU 58 Cb 0.35 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3g5p n LEU 58 CO 0.26 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3g5p n GLY 59 N 1.08 0.61 3.15 -0.72 0.00 -0.22 -4.93 105.19 104.16 3g5p n GLY 59 Ca 0.22 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 2.98 -1.54 1.61 1.01 -0.73 -4.97 120.40 116.76 3g5p s VAL 60 Ca 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.29 3g5p s VAL 60 Cb 0.00 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3g5p s VAL 60 CO 0.00 -0.25 2.63 -0.81 0.00 0.00 0.00 175.10 176.68 3g5p n PRO 61 N 4.59 3.46 -4.18 2.72 -0.04 -1.26 -1.43 135.00 138.86 3g5p n PRO 61 Ca -0.10 -2.46 -0.15 0.00 -0.04 0.00 0.00 63.50 60.74 3g5p n PRO 61 Cb 0.43 -2.97 -0.11 0.00 -0.04 0.00 0.00 33.50 30.81 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 2.27 0.85 -1.20 0.54 0.52 -1.26 -1.11 118.95 119.57 3g5p s ARG 62 Ca 0.60 -1.12 -0.18 0.00 -0.52 0.00 0.00 55.73 54.50 3g5p s ARG 62 Cb 0.16 -0.61 0.09 0.00 0.52 0.00 0.00 34.95 35.11 3g5p s ARG 62 CO -0.07 0.11 1.58 -0.65 0.02 0.00 0.00 175.30 176.29 3g5p s GLN 63 N -2.57 3.90 -0.04 3.54 -0.21 0.05 -4.40 119.66 119.93 3g5p s GLN 63 Ca 0.04 -1.92 -0.03 0.00 0.02 0.00 0.00 55.36 53.47 3g5p s GLN 63 Cb -0.04 -5.37 0.02 0.00 1.00 0.00 0.00 33.01 28.62 3g5p s GLN 63 CO 0.01 -2.12 0.11 0.08 -2.12 0.00 0.00 175.29 171.25 3g5p s VAL 64 N 3.76 -0.02 0.16 1.09 1.01 -1.26 -0.95 120.40 124.20 3g5p s VAL 64 Ca 0.49 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 3g5p s VAL 64 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 3g5p s VAL 64 CO 0.02 0.02 0.27 -1.48 0.00 0.00 0.00 175.10 173.93 3g5p s LEU 65 N 0.41 1.02 0.05 3.92 0.05 -0.59 -0.89 118.68 122.65 3g5p s LEU 65 Ca -0.03 -0.86 0.01 0.00 0.05 0.00 0.00 54.13 53.31 3g5p s LEU 65 Cb -0.04 1.16 -0.03 0.00 -2.05 0.00 0.00 46.19 45.22 3g5p s LEU 65 CO -0.02 -0.87 -0.06 0.00 -0.55 0.00 0.00 176.35 174.85 3g5p s ALA 66 N -3.96 0.57 -0.07 1.48 0.00 -0.16 -0.40 121.76 119.22 3g5p s ALA 66 Ca 0.16 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 3g5p s ALA 66 Cb 0.04 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.29 3g5p s ALA 66 CO -0.01 -0.13 0.19 -0.51 0.00 0.00 0.00 175.76 175.30 3g5p s LEU 67 N -2.03 1.16 -0.28 0.00 1.43 -0.44 -1.57 118.68 116.96 3g5p s LEU 67 Ca -0.04 0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 53.24 3g5p s LEU 67 Cb -0.05 0.62 0.09 0.00 0.03 0.00 0.00 46.19 46.88 3g5p s LEU 67 CO -0.02 -0.08 0.76 -0.70 0.23 0.00 0.00 176.35 176.54 3g5p s GLU 68 N 0.30 0.70 -0.35 1.70 2.12 0.14 -1.29 118.70 122.01 3g5p s GLU 68 Ca -0.02 1.03 0.01 0.00 0.36 0.00 0.00 54.97 56.35 3g5p s GLU 68 Cb -0.03 0.23 0.11 0.00 0.26 0.00 0.00 34.13 34.70 3g5p s GLU 68 CO -0.01 -0.12 0.13 -1.17 -0.54 0.00 0.00 175.26 173.55 3g5p s LEU 69 N 1.05 2.81 0.61 2.70 2.96 -0.24 -4.41 118.68 124.16 3g5p s LEU 69 Ca -0.05 -2.01 -0.17 0.00 -0.22 0.00 0.00 54.13 51.68 3g5p s LEU 69 Cb -0.05 -1.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 3g5p s LEU 69 CO -0.11 -0.37 1.11 -2.84 -1.32 0.00 0.00 176.35 172.82 3g5p s PRO 70 N 1.14 3.06 0.37 0.98 0.02 -1.26 -1.40 135.00 137.90 3g5p s PRO 70 Ca 0.12 1.46 0.04 0.00 0.02 0.00 0.00 61.00 62.64 3g5p s PRO 70 Cb -0.20 -1.98 0.70 0.00 0.02 0.00 0.00 34.50 33.04 3g5p s PRO 70 CO -0.15 -1.06 2.02 1.49 -0.33 0.00 0.00 177.00 178.97 3g5p h GLU 71 N 0.52 0.74 -0.94 5.54 4.81 -1.96 -2.26 114.58 121.03 3g5p h GLU 71 Ca -0.48 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 58.81 3g5p h GLU 71 Cb 1.25 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.39 3g5p h GLU 71 CO 0.55 0.50 0.60 0.00 -0.73 0.00 0.00 179.01 179.94 3g5p h ALA 72 N 1.64 1.60 -0.36 2.92 0.00 -1.99 0.07 119.26 123.14 3g5p h ALA 72 Ca 0.20 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3g5p h ALA 72 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3g5p h ALA 72 CO -0.04 0.19 -0.41 1.25 0.00 0.00 0.00 179.25 180.23 3g5p h LEU 73 N 0.93 0.97 -0.49 0.00 5.85 -1.78 -1.92 115.31 118.86 3g5p h LEU 73 Ca 0.45 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3g5p h LEU 73 Cb 0.46 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3g5p h LEU 73 CO -0.21 1.25 0.29 0.00 -0.34 0.00 0.00 178.44 179.43 3g5p h ARG 75 N 0.57 0.00 0.00 0.00 3.08 -0.60 -2.12 114.38 115.31 3g5p h ARG 75 Ca 0.20 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.17 3g5p h ARG 75 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3g5p h ARG 75 CO -0.10 0.02 -0.40 1.49 -1.07 0.00 0.00 179.97 179.90 3g5p h GLU 76 N 0.00 0.00 -6.42 0.04 4.57 -1.15 -3.42 114.58 108.19 3g5p h GLU 76 Ca -0.00 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.64 3g5p h GLU 76 Cb 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3g5p h GLU 76 CO 0.00 0.40 0.76 0.00 -1.18 0.00 0.00 179.01 178.99 3g5p n PRO 78 N 4.84 1.35 0.25 0.00 -0.02 -1.26 -4.51 135.00 135.65 3g5p n PRO 78 Ca 0.12 0.48 0.09 0.00 -2.02 0.00 0.00 63.50 62.17 3g5p n PRO 78 Cb 0.44 -1.88 0.67 0.00 -0.02 0.00 0.00 33.50 32.71 3g5p n PRO 78 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3g5p h PRO 79 N 2.30 0.00 -0.15 0.52 0.11 -1.92 0.31 132.00 133.16 3g5p h PRO 79 Ca -0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 3g5p h PRO 79 Cb 1.34 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 3g5p h PRO 79 CO 0.63 0.00 0.05 -0.09 -0.21 0.00 0.00 178.00 178.38 3g5p h ARG 80 N 0.00 0.24 -0.20 1.05 9.65 -1.99 -0.39 114.38 122.73 3g5p h ARG 80 Ca 0.01 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 3g5p h ARG 80 Cb 0.05 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.59 3g5p h ARG 80 CO -0.00 0.35 -0.15 1.96 2.80 0.00 0.00 179.97 184.94 3g5p h GLN 81 N 0.07 0.45 -0.69 0.20 4.20 -1.45 -1.55 115.11 116.34 3g5p h GLN 81 Ca 0.05 -0.22 0.14 0.00 0.06 0.00 0.00 58.65 58.68 3g5p h GLN 81 Cb 0.21 -0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.89 3g5p h GLN 81 CO -0.00 0.77 0.19 -0.09 -0.67 0.00 0.00 178.83 179.03 3g5p h ARG 82 N 0.13 0.30 -0.38 1.46 2.43 -0.46 0.52 114.38 118.38 3g5p h ARG 82 Ca 0.04 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 3g5p h ARG 82 Cb 0.67 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3g5p h ARG 82 CO 0.04 0.20 -0.31 0.00 -1.51 0.00 0.00 179.97 178.39 3g5p h ALA 83 N 1.55 0.56 -0.85 2.80 0.00 -0.90 -1.31 119.26 121.09 3g5p h ALA 83 Ca 0.38 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3g5p h ALA 83 Cb 0.60 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3g5p h ALA 83 CO -0.44 0.60 0.43 1.25 0.00 0.00 0.00 179.25 181.09 3g5p h LEU 84 N 0.70 1.10 -0.17 0.00 5.85 -0.92 -2.28 115.31 119.59 3g5p h LEU 84 Ca 0.07 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3g5p h LEU 84 Cb 0.89 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3g5p h LEU 84 CO 0.08 0.92 -0.06 0.54 -0.34 0.00 0.00 178.44 179.58 3g5p n ARG 85 N -4.33 0.71 -3.81 1.25 1.74 0.14 -4.93 116.66 107.44 3g5p n ARG 85 Ca 0.09 -0.17 -0.28 0.00 -0.77 0.00 0.00 57.85 56.72 3g5p n ARG 85 Cb 0.13 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.00 -2.63 -3.23 5.56 6.02 -0.55 -2.83 117.38 118.73 3g5p n GLN 86 Ca 0.16 0.45 -0.40 0.00 -0.01 0.00 0.00 57.00 57.21 3g5p n GLN 86 Cb 0.24 -4.43 -0.07 0.00 1.02 0.00 0.00 30.24 27.01 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 -6.25 4.11 0.03 -1.09 1.75 -0.90 -2.44 119.30 114.51 3g5p s MET 87 Ca 0.20 0.37 0.01 0.00 -1.25 0.00 0.00 55.69 55.02 3g5p s MET 87 Cb -0.07 -3.62 -0.02 0.00 2.84 0.00 0.00 34.83 33.96 3g5p s MET 87 CO 0.87 -0.29 -0.05 -1.21 -0.65 0.00 0.00 175.02 173.69 3g5p s GLU 88 N 2.09 0.40 0.71 4.11 0.41 -1.26 -4.87 118.70 120.29 3g5p s GLU 88 Ca 0.22 -0.56 -0.15 0.00 -0.41 0.00 0.00 54.97 54.07 3g5p s GLU 88 Cb -0.16 -0.17 0.03 0.00 -1.78 0.00 0.00 34.13 32.05 3g5p s GLU 88 CO 0.09 0.03 1.17 -1.25 -0.49 0.00 0.00 175.26 174.80 3g5p s PRO 89 N -1.18 2.37 0.03 0.39 0.04 -1.26 -4.85 135.00 130.53 3g5p s PRO 89 Ca -0.09 1.61 -0.14 0.00 0.04 0.00 0.00 61.00 62.42 3g5p s PRO 89 Cb -0.08 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.60 3g5p s PRO 89 CO -0.00 -1.62 0.29 -0.59 0.04 0.00 0.00 177.00 175.12 3g5p s PHE 90 N -2.14 -0.11 0.78 0.56 -0.71 -0.49 -4.97 117.98 110.89 3g5p s PHE 90 Ca 0.71 0.02 -0.12 0.00 -1.04 0.00 0.00 56.93 56.51 3g5p s PHE 90 Cb -0.25 0.08 0.06 0.00 -1.21 0.00 0.00 43.02 41.70 3g5p s PHE 90 CO 0.44 -0.46 1.10 -1.25 -1.34 0.00 0.00 175.22 173.71 3g5p s PRO 91 N -2.22 2.25 0.27 1.99 0.04 -1.26 -1.08 135.00 134.99 3g5p s PRO 91 Ca -0.07 0.53 -0.30 0.00 0.04 0.00 0.00 61.00 61.19 3g5p s PRO 91 Cb -0.02 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 3g5p s PRO 91 CO -0.01 -1.48 1.53 -1.17 0.04 0.00 0.00 177.00 175.91 3g5p s LEU 92 N -5.66 4.36 0.00 -3.56 2.96 -1.26 -4.64 118.68 110.89 3g5p s LEU 92 Ca 0.60 2.83 0.01 0.00 -0.22 0.00 0.00 54.13 57.35 3g5p s LEU 92 Cb -0.13 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 42.93 3g5p s LEU 92 CO 0.53 -0.83 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.58 3g5p s ARG 93 N -0.44 0.18 -0.10 1.98 0.52 -0.41 -5.00 118.95 115.67 3g5p s ARG 93 Ca 0.62 -0.12 0.02 0.00 -0.52 0.00 0.00 55.73 55.72 3g5p s ARG 93 Cb -0.45 -0.15 -0.01 0.00 0.52 0.00 0.00 34.95 34.86 3g5p s ARG 93 CO 0.46 0.04 -0.17 0.08 0.02 0.00 0.00 175.30 175.73 3g5p s VAL 94 N -0.17 2.71 -0.03 3.52 1.01 -1.26 -1.33 120.40 124.85 3g5p s VAL 94 Ca -0.00 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.24 3g5p s VAL 94 Cb -0.02 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3g5p s VAL 94 CO -0.00 0.55 -0.23 -0.36 0.00 0.00 0.00 175.10 175.05 3g5p s PHE 95 N 0.14 2.41 -0.05 5.22 0.40 0.46 -4.41 117.98 122.16 3g5p s PHE 95 Ca -0.09 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 3g5p s PHE 95 Cb -0.15 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.82 3g5p s PHE 95 CO 0.06 -0.00 -0.22 0.08 0.70 0.00 0.00 175.22 175.84 3g5p s VAL 96 N -0.60 2.39 -1.48 -0.44 1.01 0.78 -1.54 120.40 120.52 3g5p s VAL 96 Ca 0.09 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3g5p s VAL 96 Cb -0.10 -1.89 0.03 0.00 0.00 0.00 0.00 36.38 34.41 3g5p s VAL 96 CO -0.00 0.57 0.44 0.59 0.00 0.00 0.00 175.10 176.70 3g5p n ASN 97 N 2.71 -0.74 -4.84 3.32 3.02 -0.12 -0.83 115.26 117.77 3g5p n ASN 97 Ca -0.17 -1.03 -0.32 0.00 -0.03 0.00 0.00 54.58 53.03 3g5p n ASN 97 Cb 0.52 -2.86 -0.00 0.00 -0.61 0.00 0.00 39.78 36.83 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 -6.71 3.62 0.11 3.52 0.04 -1.26 -4.62 135.00 129.70 3g5p s PRO 98 Ca 0.14 0.93 0.07 0.00 0.04 0.00 0.00 61.00 62.17 3g5p s PRO 98 Cb -0.08 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3g5p s PRO 98 CO 0.91 -0.55 -0.16 -1.54 0.04 0.00 0.00 177.00 175.70 3g5p s SER 99 N -3.47 2.13 -0.01 6.66 1.04 0.12 -4.96 113.70 115.21 3g5p s SER 99 Ca 0.58 -0.75 0.06 0.00 0.48 0.00 0.00 55.95 56.33 3g5p s SER 99 Cb -0.12 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 3g5p s SER 99 CO 0.42 -0.07 -0.21 -0.22 0.98 0.00 0.00 173.24 174.14 3g5p s LEU 100 N -2.20 2.40 -0.07 2.42 0.20 -1.26 -1.23 118.68 118.94 3g5p s LEU 100 Ca 0.07 -0.38 0.04 0.00 0.69 0.00 0.00 54.13 54.55 3g5p s LEU 100 Cb -0.07 -1.44 0.00 0.00 -0.43 0.00 0.00 46.19 44.25 3g5p s LEU 100 CO 0.04 0.31 -0.19 -0.60 -0.29 0.00 0.00 176.35 175.62 3g5p s ARG 101 N -0.85 2.21 -0.11 1.98 3.52 -0.21 -4.99 118.95 120.49 3g5p s ARG 101 Ca 0.11 -0.67 -0.26 0.00 -0.13 0.00 0.00 55.73 54.78 3g5p s ARG 101 Cb -0.10 -1.80 -0.02 0.00 -1.56 0.00 0.00 34.95 31.47 3g5p s ARG 101 CO 0.01 0.19 0.83 0.08 -0.81 0.00 0.00 175.30 175.60 3g5p s VAL 102 N 0.25 4.92 -0.18 7.11 1.01 -1.26 -0.68 120.40 131.57 3g5p s VAL 102 Ca -0.11 1.68 0.07 0.00 0.00 0.00 0.00 61.98 63.62 3g5p s VAL 102 Cb -0.15 -4.15 -0.16 0.00 0.00 0.00 0.00 36.38 31.92 3g5p s VAL 102 CO 0.05 0.11 -0.07 0.18 0.00 0.00 0.00 175.10 175.36 3g5p n LEU 103 N 4.62 1.63 -3.82 3.92 4.77 -0.06 -4.88 117.00 123.19 3g5p n LEU 103 Ca 0.03 -0.06 -0.29 0.00 -0.03 0.00 0.00 56.01 55.67 3g5p n LEU 103 Cb 0.50 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 41.21 3g5p n LEU 103 CO 0.49 0.64 -0.39 -0.62 -1.33 0.00 0.00 177.39 176.18 3g5p s ASP 104 N -5.52 3.28 0.00 -1.43 -1.08 -0.55 -4.94 116.67 106.42 3g5p s ASP 104 Ca -0.19 -0.96 0.18 0.00 -0.52 0.00 0.00 52.55 51.06 3g5p s ASP 104 Cb 0.06 -0.83 0.82 0.00 -1.46 0.00 0.00 42.92 41.51 3g5p s ASP 104 CO 0.56 -0.28 1.56 -1.54 0.52 0.00 0.00 175.17 175.99 3g5p n SER 105 N 4.90 0.91 -4.78 -0.34 3.41 -1.26 -2.19 113.62 114.27 3g5p n SER 105 Ca -0.10 -1.63 -0.41 0.00 -0.26 0.00 0.00 58.87 56.47 3g5p n SER 105 Cb 0.46 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3g5p n SER 105 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3g5p s ARG 106 N -1.87 4.02 -0.15 4.33 3.52 -1.26 -4.75 118.95 122.79 3g5p s ARG 106 Ca 0.28 2.55 -0.09 0.00 -0.13 0.00 0.00 55.73 58.33 3g5p s ARG 106 Cb 0.14 -2.90 -0.05 0.00 -1.56 0.00 0.00 34.95 30.58 3g5p s ARG 106 CO 0.22 -0.60 0.16 -0.51 -0.81 0.00 0.00 175.30 173.77 3g5p s LEU 107 N -2.23 4.30 -0.06 -0.88 1.43 -1.26 -0.62 118.68 119.36 3g5p s LEU 107 Ca 0.54 0.40 0.05 0.00 -1.03 0.00 0.00 54.13 54.09 3g5p s LEU 107 Cb -0.46 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 3g5p s LEU 107 CO 0.62 0.28 -0.22 -0.69 0.23 0.00 0.00 176.35 176.56 3g5p s VAL 108 N -0.29 1.86 -0.14 -1.59 1.01 0.17 -4.88 120.40 116.54 3g5p s VAL 108 Ca 0.13 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.18 3g5p s VAL 108 Cb -0.12 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.68 3g5p s VAL 108 CO 0.02 0.52 -0.22 -0.89 0.00 0.00 0.00 175.10 174.53 3g5p s THR 109 N -0.04 2.05 0.14 3.92 2.01 -1.26 -0.57 115.64 121.90 3g5p s THR 109 Ca -0.06 -0.98 -0.08 0.00 0.31 0.00 0.00 61.69 60.89 3g5p s THR 109 Cb -0.14 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 3g5p s THR 109 CO 0.04 0.55 0.23 -0.36 -0.69 0.00 0.00 174.62 174.39 3g5p s PHE 110 N 0.78 0.41 0.33 4.92 0.08 -1.22 -4.92 117.98 118.35 3g5p s PHE 110 Ca -0.08 -0.79 -0.29 0.00 0.12 0.00 0.00 56.93 55.89 3g5p s PHE 110 Cb -0.16 -0.12 -0.10 0.00 -0.57 0.00 0.00 43.02 42.07 3g5p s PHE 110 CO -0.01 -0.65 1.28 -2.14 -0.10 0.00 0.00 175.22 173.60 3g5p s PRO 111 N -3.95 4.39 0.04 0.24 0.02 -1.26 -1.68 135.00 132.80 3g5p s PRO 111 Ca 0.15 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.35 3g5p s PRO 111 Cb 0.04 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.45 3g5p s PRO 111 CO -0.02 -0.14 -0.06 -2.00 -0.33 0.00 0.00 177.00 174.45 3g5p s GLU 112 N -1.75 0.47 0.08 5.54 2.12 0.50 -4.91 118.70 120.75 3g5p s GLU 112 Ca 0.48 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 55.08 3g5p s GLU 112 Cb -0.39 -0.15 0.00 0.00 0.26 0.00 0.00 34.13 33.85 3g5p s GLU 112 CO 0.51 0.01 0.01 0.41 -0.54 0.00 0.00 175.26 175.67 3g5p n GLY 113 N 1.43 3.91 3.64 -1.50 0.00 -1.26 -1.10 105.19 110.30 3g5p n GLY 113 Ca -0.23 -2.23 -0.02 0.00 0.00 0.00 0.00 46.02 43.55 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 7.85 0.00 -0.43 0.00 4.39 -1.96 -0.87 114.58 123.57 3g5p h GLU 115 Ca -0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3g5p h GLU 115 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3g5p h GLU 115 CO 0.11 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.39 3g5p n SER 116 N -3.29 2.64 -3.13 1.42 7.64 -1.26 -3.83 113.62 113.81 3g5p n SER 116 Ca 0.01 -1.94 -0.21 0.00 1.01 0.00 0.00 58.87 57.74 3g5p n SER 116 Cb 0.43 -0.28 -0.04 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.94 0.78 -1.64 0.44 0.31 -0.33 -1.00 118.33 117.83 3g5p n VAL 117 Ca 0.17 -4.84 -0.47 0.00 -0.01 0.00 0.00 64.34 59.19 3g5p n VAL 117 Cb 0.44 -0.77 -0.04 0.00 -0.91 0.00 0.00 33.84 32.56 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 0.24 0.46 -0.31 3.52 0.00 -1.21 -3.10 120.51 120.11 3g5p n ALA 118 Ca 0.27 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.15 3g5p n ALA 118 Cb 0.57 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 2.43 0.77 3.29 0.00 0.00 -1.26 -5.06 105.19 105.36 3g5p n GLY 119 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.25 1.58 0.12 1.61 0.08 -1.18 -1.03 117.98 116.92 3g5p s PHE 120 Ca 0.00 -0.55 0.04 0.00 0.12 0.00 0.00 56.93 56.54 3g5p s PHE 120 Cb 0.00 -0.79 -0.04 0.00 -0.57 0.00 0.00 43.02 41.62 3g5p s PHE 120 CO 0.00 0.24 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.75 3g5p s LEU 121 N -2.73 2.49 0.09 -0.37 1.43 -0.51 -4.31 118.68 114.77 3g5p s LEU 121 Ca 0.14 -0.95 -0.21 0.00 -1.03 0.00 0.00 54.13 52.09 3g5p s LEU 121 Cb -0.04 -0.27 0.05 0.00 0.03 0.00 0.00 46.19 45.97 3g5p s LEU 121 CO 0.05 -0.34 0.50 0.00 0.23 0.00 0.00 176.35 176.79 3g5p s ALA 122 N -3.11 -1.27 0.29 4.21 0.00 -0.26 -0.87 121.76 120.76 3g5p s ALA 122 Ca 0.12 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 3g5p s ALA 122 Cb 0.01 0.57 -0.10 0.00 0.00 0.00 0.00 23.12 23.61 3g5p s ALA 122 CO -0.01 -0.60 1.30 0.00 0.00 0.00 0.00 175.76 176.45 3g5p s VAL 124 N -0.77 0.07 0.21 0.00 1.01 -0.67 -0.92 120.40 119.33 3g5p s VAL 124 Ca 0.51 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 3g5p s VAL 124 Cb -0.39 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 35.65 3g5p s VAL 124 CO 0.48 0.18 1.31 -2.16 0.00 0.00 0.00 175.10 174.91 3g5p s PRO 125 N 1.73 4.38 0.07 2.72 0.05 -1.26 -3.38 135.00 139.31 3g5p s PRO 125 Ca -0.00 2.07 0.02 0.00 0.05 0.00 0.00 61.00 63.14 3g5p s PRO 125 Cb -0.13 -3.19 -0.03 0.00 0.05 0.00 0.00 34.50 31.20 3g5p s PRO 125 CO -0.03 -0.26 -0.07 1.03 0.05 0.00 0.00 177.00 177.73 3g5p s ARG 126 N -0.20 0.69 0.51 4.56 1.81 0.27 -4.91 118.95 121.70 3g5p s ARG 126 Ca 0.56 -1.10 -0.21 0.00 -1.72 0.00 0.00 55.73 53.27 3g5p s ARG 126 Cb -0.37 -0.19 -0.06 0.00 -0.45 0.00 0.00 34.95 33.88 3g5p s ARG 126 CO 0.39 -0.00 1.15 -0.06 -0.68 0.00 0.00 175.30 176.10 3g5p s PHE 127 N -2.79 2.72 0.23 -0.53 2.99 -1.26 -0.66 117.98 118.68 3g5p s PHE 127 Ca 0.03 1.54 -0.04 0.00 0.00 0.00 0.00 56.93 58.46 3g5p s PHE 127 Cb -0.00 -3.34 0.23 0.00 0.00 0.00 0.00 43.02 39.90 3g5p s PHE 127 CO -0.03 -1.61 1.67 0.37 -0.00 0.00 0.00 175.22 175.62 3g5p h GLN 128 N 1.50 0.80 -3.06 0.44 5.75 -0.37 -3.42 115.11 116.74 3g5p h GLN 128 Ca -0.50 -0.28 -0.14 0.00 -0.15 0.00 0.00 58.65 57.58 3g5p h GLN 128 Cb 1.26 -0.06 -0.23 0.00 1.07 0.00 0.00 27.48 29.52 3g5p h GLN 128 CO 0.58 0.89 -0.34 0.00 -2.65 0.00 0.00 178.83 177.31 3g5p s ALA 129 N -4.76 -0.72 0.20 3.38 0.00 -1.05 -1.17 121.76 117.64 3g5p s ALA 129 Ca -0.09 0.57 -0.10 0.00 0.00 0.00 0.00 51.96 52.34 3g5p s ALA 129 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 3g5p s ALA 129 CO 0.83 -0.19 0.35 0.14 0.00 0.00 0.00 175.76 176.88 3g5p s VAL 130 N -0.51 0.04 -0.01 0.00 -7.23 -0.65 -0.88 120.40 111.16 3g5p s VAL 130 Ca -0.06 -1.41 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 3g5p s VAL 130 Cb -0.04 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 3g5p s VAL 130 CO 0.02 -0.16 -0.15 0.00 -0.31 0.00 0.00 175.10 174.50 3g5p s GLN 131 N -4.00 1.20 -0.10 4.82 -2.07 0.14 -1.55 119.66 118.10 3g5p s GLN 131 Ca 0.20 -0.57 0.00 0.00 -1.82 0.00 0.00 55.36 53.18 3g5p s GLN 131 Cb 0.02 -1.17 -0.02 0.00 -1.09 0.00 0.00 33.01 30.75 3g5p s GLN 131 CO 0.04 0.32 -0.11 -1.50 -1.32 0.00 0.00 175.29 172.71 3g5p s ILE 132 N -0.41 3.27 -0.02 3.63 2.07 -0.11 -1.05 121.20 128.58 3g5p s ILE 132 Ca 0.05 -0.61 0.05 0.00 -1.41 0.00 0.00 60.65 58.74 3g5p s ILE 132 Cb -0.06 -2.35 -0.01 0.00 0.13 0.00 0.00 42.46 40.17 3g5p s ILE 132 CO -0.00 0.55 -0.17 -0.94 -1.91 0.00 0.00 174.94 172.46 3g5p s SER 133 N -0.10 2.07 0.00 4.50 1.04 -0.37 -0.62 113.70 120.22 3g5p s SER 133 Ca -0.01 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3g5p s SER 133 Cb -0.14 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.69 3g5p s SER 133 CO 0.03 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.07 3g5p n GLY 134 N 2.75 0.95 3.81 7.32 0.00 -0.67 -0.70 105.19 118.65 3g5p n GLY 134 Ca -0.15 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 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 4.03 0.94 0.99 1.43 -0.01 -0.70 118.68 125.36 3g5p s LEU 135 Ca 0.00 0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 3g5p s LEU 135 Cb 0.00 -2.28 0.15 0.00 0.03 0.00 0.00 46.19 44.09 3g5p s LEU 135 CO 0.00 0.29 1.09 1.51 0.23 0.00 0.00 176.35 179.48 3g5p s ASP 136 N -1.63 3.09 0.57 2.29 -4.77 -0.13 -0.16 116.67 115.93 3g5p s ASP 136 Ca 0.22 1.38 0.27 0.00 -3.30 0.00 0.00 52.55 51.12 3g5p s ASP 136 Cb -0.12 -2.05 1.51 0.00 -1.09 0.00 0.00 42.92 41.16 3g5p s ASP 136 CO 0.13 -2.86 2.02 -0.65 0.70 0.00 0.00 175.17 174.50 3g5p h PRO 137 N -1.71 0.00 0.00 2.11 0.10 -1.92 0.13 132.00 130.71 3g5p h PRO 137 Ca -0.52 0.00 -0.07 0.00 0.10 0.00 0.00 66.00 65.52 3g5p h PRO 137 Cb 1.30 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.39 3g5p h PRO 137 CO 0.55 0.00 -0.32 -0.91 0.10 0.00 0.00 178.00 177.43 3g5p h ASN 138 N 0.00 0.00 0.00 -2.05 2.35 -1.92 0.62 115.58 114.58 3g5p h ASN 138 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3g5p h ASN 138 Cb 0.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 3g5p h ASN 138 CO -0.00 0.31 0.00 0.61 -1.65 0.00 0.00 177.43 176.70 3g5p n GLY 139 N 1.18 1.36 3.76 2.83 0.00 0.45 -4.41 105.19 110.36 3g5p n GLY 139 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.30 4.65 -0.02 1.61 0.41 -1.26 -4.78 118.70 119.01 3g5p s GLU 140 Ca 0.00 1.27 -0.30 0.00 -0.41 0.00 0.00 54.97 55.53 3g5p s GLU 140 Cb 0.00 -3.30 -0.04 0.00 -1.78 0.00 0.00 34.13 29.01 3g5p s GLU 140 CO 0.00 0.45 1.17 -1.14 -0.49 0.00 0.00 175.26 175.25 3g5p s GLN 141 N -0.77 4.40 -0.04 1.61 2.00 -1.26 -0.95 119.66 124.64 3g5p s GLN 141 Ca 0.39 1.67 0.03 0.00 -2.00 0.00 0.00 55.36 55.46 3g5p s GLN 141 Cb -0.23 -3.49 0.00 0.00 0.80 0.00 0.00 33.01 30.09 3g5p s GLN 141 CO 0.28 -0.35 -0.14 0.08 -0.50 0.00 0.00 175.29 174.66 3g5p s VAL 142 N 1.75 1.19 -0.18 1.34 1.01 0.12 -4.95 120.40 120.68 3g5p s VAL 142 Ca 0.56 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 3g5p s VAL 142 Cb -0.26 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.08 3g5p s VAL 142 CO 0.25 0.35 -0.13 -0.69 0.00 0.00 0.00 175.10 174.88 3g5p s VAL 143 N 0.23 2.74 -0.20 2.92 1.01 -1.26 -1.67 120.40 124.16 3g5p s VAL 143 Ca -0.06 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3g5p s VAL 143 Cb -0.12 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.10 3g5p s VAL 143 CO 0.02 0.49 -0.15 0.86 0.00 0.00 0.00 175.10 176.32 3g5p s TRP 144 N 1.15 2.91 -0.15 5.22 -0.00 0.21 -4.98 118.94 123.30 3g5p s TRP 144 Ca 0.01 -1.67 -0.05 0.00 -0.00 0.00 0.00 56.10 54.39 3g5p s TRP 144 Cb -0.14 -1.96 -0.04 0.00 -0.00 0.00 0.00 33.47 31.33 3g5p s TRP 144 CO -0.05 -0.78 0.03 -1.14 -0.00 0.00 0.00 176.95 175.01 3g5p s GLN 145 N 1.29 3.64 0.15 5.86 0.74 -1.26 -0.93 119.66 129.14 3g5p s GLN 145 Ca 0.02 -0.38 -0.16 0.00 0.05 0.00 0.00 55.36 54.89 3g5p s GLN 145 Cb -0.15 -3.04 0.03 0.00 1.10 0.00 0.00 33.01 30.95 3g5p s GLN 145 CO -0.10 0.41 0.44 0.00 -0.55 0.00 0.00 175.29 175.48 3g5p s ALA 146 N -0.03 -0.85 0.38 1.58 0.00 -0.60 -5.02 121.76 117.21 3g5p s ALA 146 Ca 0.05 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.87 3g5p s ALA 146 Cb -0.12 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 3g5p s ALA 146 CO 0.01 -0.70 0.16 -1.54 0.00 0.00 0.00 175.76 173.69 3g5p s SER 147 N -2.84 2.37 1.01 0.00 1.04 -1.26 -1.64 113.70 112.38 3g5p s SER 147 Ca 0.06 -1.67 0.00 0.00 0.48 0.00 0.00 55.95 54.82 3g5p s SER 147 Cb 0.01 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3g5p s SER 147 CO -0.08 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3g5p n GLY 148 N -0.80 2.97 0.34 7.32 0.00 -0.32 -2.92 105.19 111.78 3g5p n GLY 148 Ca -0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 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 1.20 -0.67 1.61 2.91 -1.32 -1.61 115.95 118.07 3g5p h TRP 149 Ca 0.00 -0.07 0.05 0.00 1.13 0.00 0.00 58.89 59.99 3g5p h TRP 149 Cb 0.00 -0.36 -0.05 0.00 -0.51 0.00 0.00 29.16 28.24 3g5p h TRP 149 CO 0.00 0.89 0.39 0.00 -1.03 0.00 0.00 178.44 178.69 3g5p h ALA 150 N 1.19 0.89 -0.79 2.65 0.00 -1.78 -0.92 119.26 120.50 3g5p h ALA 150 Ca 0.27 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3g5p h ALA 150 Cb 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3g5p h ALA 150 CO -0.03 0.11 0.52 0.00 0.00 0.00 0.00 179.25 179.85 3g5p h ALA 151 N 1.32 1.44 -0.34 0.00 0.00 -1.21 -1.38 119.26 119.09 3g5p h ALA 151 Ca 0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3g5p h ALA 151 Cb 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3g5p h ALA 151 CO -0.15 0.52 0.14 -0.09 0.00 0.00 0.00 179.25 179.67 3g5p h ARG 152 N 1.07 0.50 -0.71 0.00 2.43 -0.40 -1.64 114.38 115.62 3g5p h ARG 152 Ca 0.29 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 3g5p h ARG 152 Cb -0.11 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 3g5p h ARG 152 CO -0.06 0.49 0.18 0.82 -1.51 0.00 0.00 179.97 179.89 3g5p h ILE 153 N 0.40 1.26 -0.55 1.20 1.08 -0.90 -1.02 117.51 118.98 3g5p h ILE 153 Ca 0.11 -0.96 0.05 0.00 -0.39 0.00 0.00 64.86 63.67 3g5p h ILE 153 Cb 0.17 0.51 -0.05 0.00 -3.07 0.00 0.00 36.82 34.39 3g5p h ILE 153 CO -0.01 0.37 0.29 0.40 -0.69 0.00 0.00 178.15 178.51 3g5p h ILE 154 N 1.08 0.96 -0.59 -0.67 2.04 -1.13 -0.74 117.51 118.45 3g5p h ILE 154 Ca 0.23 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 3g5p h ILE 154 Cb 0.36 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3g5p h ILE 154 CO 0.00 0.10 0.26 1.56 0.00 0.00 0.00 178.15 180.07 3g5p h GLN 155 N 0.55 0.87 -0.27 2.37 4.20 -0.86 0.74 115.11 122.70 3g5p h GLN 155 Ca 0.24 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3g5p h GLN 155 Cb 0.14 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3g5p h GLN 155 CO -0.16 0.73 0.14 1.25 -0.67 0.00 0.00 178.83 180.12 3g5p h HIS 156 N 0.81 0.38 -0.26 2.96 2.76 -0.72 -0.03 115.15 121.05 3g5p h HIS 156 Ca 0.20 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.20 3g5p h HIS 156 Cb 0.17 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 3g5p h HIS 156 CO 0.01 0.33 -0.48 0.93 -1.30 0.00 0.00 177.93 177.42 3g5p h GLU 157 N 0.32 0.70 -0.91 5.26 4.39 -0.95 -2.56 114.58 120.82 3g5p h GLU 157 Ca 0.10 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.39 3g5p h GLU 157 Cb 0.08 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 3g5p h GLU 157 CO -0.01 1.02 0.57 0.52 -1.16 0.00 0.00 179.01 179.95 3g5p h MET 158 N 0.56 1.22 -0.81 2.33 2.86 -0.71 -1.92 114.93 118.46 3g5p h MET 158 Ca 0.03 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3g5p h MET 158 Cb 1.03 -0.27 -0.05 0.00 0.06 0.00 0.00 31.60 32.38 3g5p h MET 158 CO 0.10 0.83 0.52 -0.44 1.06 0.00 0.00 176.91 178.98 3g5p h ASP 159 N 1.25 0.84 -0.42 1.22 5.19 -0.77 -1.25 116.42 122.48 3g5p h ASP 159 Ca 0.33 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.82 3g5p h ASP 159 Cb -0.09 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.21 3g5p h ASP 159 CO -0.07 0.57 0.29 0.45 -3.12 0.00 0.00 179.24 177.37 3g5p h HIS 160 N 0.99 0.23 0.00 4.55 3.86 -0.94 0.06 115.15 123.90 3g5p h HIS 160 Ca 0.33 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 3g5p h HIS 160 Cb 0.04 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.44 3g5p h HIS 160 CO -0.03 0.12 -0.01 1.28 0.86 0.00 0.00 177.93 180.15 3g5p n LEU 161 N -4.46 0.49 -1.03 2.43 4.77 -0.49 -2.39 117.00 116.31 3g5p n LEU 161 Ca 0.06 0.54 0.09 0.00 -0.03 0.00 0.00 56.01 56.67 3g5p n LEU 161 Cb 0.33 -0.39 0.23 0.00 -2.33 0.00 0.00 43.42 41.26 3g5p n LEU 161 CO 0.35 -0.11 0.69 0.00 -1.33 0.00 0.00 177.39 177.00 3g5p n GLN 162 N -1.95 2.60 -0.78 3.23 1.13 -0.14 -1.64 117.38 119.83 3g5p n GLN 162 Ca 0.06 -2.31 0.00 0.00 -1.94 0.00 0.00 57.00 52.81 3g5p n GLN 162 Cb 0.39 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.30 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 1.20 0.53 3.62 1.08 0.00 -0.90 -4.61 105.19 106.10 3g5p n GLY 163 Ca 0.18 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.47 2.71 0.51 0.00 1.43 -1.26 -3.24 118.68 118.36 3g5p s LEU 165 Ca 0.08 -1.07 0.21 0.00 -1.03 0.00 0.00 54.13 52.33 3g5p s LEU 165 Cb -0.12 -1.12 1.32 0.00 0.03 0.00 0.00 46.19 46.30 3g5p s LEU 165 CO 0.02 -0.08 2.09 2.19 0.23 0.00 0.00 176.35 180.80 3g5p h PHE 166 N 2.11 0.00 0.00 0.29 -5.15 -1.95 -0.69 116.94 111.56 3g5p h PHE 166 Ca -0.41 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.36 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 0.78 0.11 0.00 0.44 -2.00 0.00 0.00 178.31 177.63 3g5p n ILE 167 N -4.07 1.42 0.70 0.88 -5.35 -1.26 -1.24 119.36 110.44 3g5p n ILE 167 Ca -0.02 0.44 0.12 0.00 -0.27 0.00 0.00 62.75 63.02 3g5p n ILE 167 Cb 0.19 -1.36 0.27 0.00 -1.74 0.00 0.00 39.64 37.00 3g5p n ILE 167 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3g5p n ASP 168 N -1.72 0.62 0.00 7.28 8.00 -0.27 -4.17 116.55 126.29 3g5p n ASP 168 Ca 0.01 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.68 3g5p n ASP 168 Cb 0.08 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3g5p n ASP 168 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3g5p n LYS 169 N -1.97 2.60 -1.29 -1.24 5.02 -0.37 -5.07 118.16 115.84 3g5p n LYS 169 Ca 0.04 -0.15 -0.30 0.00 -2.02 0.00 0.00 58.31 55.88 3g5p n LYS 169 Cb 0.41 -0.56 0.11 0.00 -0.02 0.00 0.00 35.03 34.97 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 -0.41 1.82 -0.77 1.97 0.23 -0.61 -4.41 119.30 117.12 3g5p s MET 170 Ca 0.00 0.93 -0.25 0.00 -1.03 0.00 0.00 55.69 55.34 3g5p s MET 170 Cb 0.00 -1.86 0.05 0.00 -1.53 0.00 0.00 34.83 31.48 3g5p s MET 170 CO 0.00 -1.88 1.22 0.34 -2.03 0.00 0.00 175.02 172.67 3g5p s ASP 171 N -3.49 6.23 0.62 -1.18 -1.08 -0.09 -4.91 116.67 112.77 3g5p s ASP 171 Ca 0.62 -0.79 0.36 0.00 -0.52 0.00 0.00 52.55 52.22 3g5p s ASP 171 Cb -0.17 -2.52 2.06 0.00 -1.46 0.00 0.00 42.92 40.83 3g5p s ASP 171 CO 0.56 -1.67 2.29 0.77 0.52 0.00 0.00 175.17 177.65 3g5p h SER 172 N 9.84 0.00 0.46 -0.34 4.64 -1.94 -0.99 113.55 125.23 3g5p h SER 172 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3g5p h SER 172 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3g5p h SER 172 CO 1.27 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.77 3g5p n ARG 173 N -3.53 0.20 -0.15 4.77 1.74 -1.26 -2.22 116.66 116.21 3g5p n ARG 173 Ca -0.03 0.12 0.09 0.00 -0.77 0.00 0.00 57.85 57.26 3g5p n ARG 173 Cb 0.09 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.35 0.52 -2.05 0.55 -2.24 -0.38 -4.98 114.28 104.36 3g5p n THR 174 Ca 0.08 -0.76 -0.41 0.00 -2.27 0.00 0.00 64.05 60.69 3g5p n THR 174 Cb 0.18 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.22 3.02 -0.07 4.78 5.36 -0.94 -4.35 117.98 124.55 3g5p s PHE 175 Ca 0.29 1.18 -0.21 0.00 -0.96 0.00 0.00 56.93 57.23 3g5p s PHE 175 Cb 0.17 -3.77 0.05 0.00 -0.34 0.00 0.00 43.02 39.13 3g5p s PHE 175 CO 0.24 -2.35 0.48 -0.08 -1.46 0.00 0.00 175.22 172.05 3g5p s THR 176 N -0.46 0.02 0.59 0.12 -1.32 -0.04 -5.00 115.64 109.55 3g5p s THR 176 Ca 0.55 -0.20 -0.20 0.00 -1.21 0.00 0.00 61.69 60.64 3g5p s THR 176 Cb -0.41 -0.77 -0.03 0.00 -1.51 0.00 0.00 72.50 69.78 3g5p s THR 176 CO 0.47 -0.11 1.28 0.20 -2.21 0.00 0.00 174.62 174.26 3g5p s ASN 177 N -0.86 5.07 0.59 8.08 0.01 -1.26 -1.42 114.94 125.15 3g5p s ASN 177 Ca -0.09 2.58 0.37 0.00 -0.71 0.00 0.00 52.86 55.01 3g5p s ASN 177 Cb -0.03 -2.62 1.83 0.00 0.41 0.00 0.00 41.25 40.84 3g5p s ASN 177 CO 0.05 -1.69 2.16 -0.37 -1.51 0.00 0.00 177.10 175.75 3g5p h VAL 178 N 1.00 0.12 -0.00 1.60 -1.51 -1.42 -1.89 116.25 114.14 3g5p h VAL 178 Ca -0.51 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 3g5p h VAL 178 Cb 1.31 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 3g5p h VAL 178 CO 0.55 0.02 -0.00 0.00 -1.23 0.00 0.00 177.57 176.92 3g5p n TYR 179 N -3.21 0.00 -4.63 5.19 0.18 -1.26 -4.61 117.16 108.81 3g5p n TYR 179 Ca -0.01 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.43 3g5p n TYR 179 Cb 0.19 -0.02 -0.12 0.00 -0.38 0.00 0.00 39.34 39.02 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 -2.03 2.91 0.02 -3.48 0.52 -0.71 -5.12 118.94 111.04 3g5p s TRP 180 Ca 0.47 -0.15 -0.16 0.00 0.02 0.00 0.00 56.10 56.28 3g5p s TRP 180 Cb 0.22 -1.77 0.03 0.00 -1.15 0.00 0.00 33.47 30.80 3g5p s TRP 180 CO 0.37 0.17 0.35 0.00 0.02 0.00 0.00 176.95 177.87 3g5p s MET 181 N -0.42 0.80 0.10 4.98 0.23 -1.26 -4.81 119.30 118.92 3g5p s MET 181 Ca 0.06 -0.32 -0.30 0.00 -1.03 0.00 0.00 55.69 54.10 3g5p s MET 181 Cb -0.12 0.36 -0.06 0.00 -1.53 0.00 0.00 34.83 33.48 3g5p s MET 181 CO 0.02 -0.25 0.97 0.15 -2.03 0.00 0.00 175.02 173.89 3g5p s LYS 182 N -2.03 4.68 0.18 3.16 1.02 -1.26 -5.08 119.74 120.41 3g5p s LYS 182 Ca -0.08 1.47 0.04 0.00 0.02 0.00 0.00 55.97 57.42 3g5p s LYS 182 Cb -0.02 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.86 3g5p s LYS 182 CO 0.00 0.18 -0.06 0.14 -0.92 0.00 0.00 175.35 174.69 3g5p s VAL 183 N 0.08 1.09 0.04 3.17 -7.23 -1.26 -5.14 120.40 111.16 3g5p s VAL 183 Ca 0.48 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.31 3g5p s VAL 183 Cb -0.24 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 3g5p s VAL 183 CO 0.30 -0.57 0.91 0.20 -0.31 0.00 0.00 175.10 175.63 3g5p s ASN 184 N -3.22 7.36 0.00 4.85 0.01 -1.26 -5.36 114.94 117.32 3g5p s ASN 184 Ca 0.21 1.64 0.14 0.00 -0.71 0.00 0.00 52.86 54.14 3g5p s ASN 184 Cb 0.04 -2.55 0.81 0.00 0.41 0.00 0.00 41.25 39.96 3g5p s ASN 184 CO 0.04 -0.13 1.23 0.47 -1.51 0.00 0.00 177.10 177.20