#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 1.93 0.36 -1.40 1.00 -1.26 -5.16 119.30 114.77 3g5p s MET 4 Ca 0.00 -1.16 0.05 0.00 0.00 0.00 0.00 55.69 54.58 3g5p s MET 4 Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 34.83 32.63 3g5p s MET 4 CO 0.00 0.48 0.19 -1.54 0.00 0.00 0.00 175.02 174.15 3g5p s SER 5 N -2.31 2.12 -0.05 3.03 1.04 -1.26 -5.15 113.70 111.11 3g5p s SER 5 Ca 0.20 -1.69 -0.04 0.00 0.48 0.00 0.00 55.95 54.90 3g5p s SER 5 Cb -0.10 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 3g5p s SER 5 CO 0.12 -0.98 0.15 -0.36 0.98 0.00 0.00 173.24 173.16 3g5p s PHE 6 N -3.38 3.54 0.12 5.02 0.08 -1.26 -5.11 117.98 117.00 3g5p s PHE 6 Ca 0.32 0.41 0.07 0.00 0.12 0.00 0.00 56.93 57.85 3g5p s PHE 6 Cb 0.03 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 3g5p s PHE 6 CO 0.20 0.67 -0.17 -1.12 -0.10 0.00 0.00 175.22 174.70 3g5p s SER 7 N -1.54 2.32 0.01 1.36 0.01 -1.26 -5.16 113.70 109.44 3g5p s SER 7 Ca 0.22 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.71 3g5p s SER 7 Cb -0.12 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 3g5p s SER 7 CO 0.12 -0.04 -0.02 -1.38 0.41 0.00 0.00 173.24 172.33 3g5p s HIS 8 N -1.72 0.13 -0.24 2.43 -3.43 -1.26 -5.11 115.29 106.09 3g5p s HIS 8 Ca 0.09 -0.24 -0.20 0.00 -0.80 0.00 0.00 55.06 53.91 3g5p s HIS 8 Cb -0.07 -0.10 -0.02 0.00 -1.43 0.00 0.00 32.58 30.96 3g5p s HIS 8 CO 0.04 -0.08 0.62 0.08 -2.00 0.00 0.00 174.74 173.40 3g5p s VAL 9 N -0.66 5.00 0.40 -5.38 1.01 -1.26 -4.52 120.40 114.99 3g5p s VAL 9 Ca -0.07 1.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.76 3g5p s VAL 9 Cb -0.05 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 3g5p s VAL 9 CO -0.00 0.06 1.40 0.00 0.00 0.00 0.00 175.10 176.55 3g5p s GLN 11 N -2.21 2.65 0.29 0.00 -1.52 -1.26 -4.33 119.66 113.28 3g5p s GLN 11 Ca 0.56 -1.03 -0.30 0.00 -1.95 0.00 0.00 55.36 52.63 3g5p s GLN 11 Cb -0.43 -2.48 -0.12 0.00 -0.22 0.00 0.00 33.01 29.76 3g5p s GLN 11 CO 0.56 0.45 1.47 1.55 -0.25 0.00 0.00 175.29 179.07 3g5p n VAL 12 N -0.40 1.23 0.00 1.09 3.14 0.07 -1.63 118.33 121.83 3g5p n VAL 12 Ca -0.09 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 3g5p n VAL 12 Cb 0.56 -1.72 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 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 1.81 2.46 3.67 7.55 0.00 -1.26 -5.08 105.19 114.34 3g5p n GLY 13 Ca 0.09 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.22 6.67 0.56 1.61 -1.08 -0.64 -4.87 116.67 118.70 3g5p s ASP 14 Ca 0.00 2.28 0.38 0.00 -0.52 0.00 0.00 52.55 54.69 3g5p s ASP 14 Cb 0.00 -2.54 1.95 0.00 -1.46 0.00 0.00 42.92 40.87 3g5p s ASP 14 CO 0.00 -0.90 2.15 1.55 0.52 0.00 0.00 175.17 178.48 3g5p h PRO 15 N 9.20 0.00 0.00 4.34 0.13 -1.98 -1.49 132.00 142.20 3g5p h PRO 15 Ca -0.40 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3g5p h PRO 15 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3g5p h PRO 15 CO 0.94 0.00 -0.01 -0.24 -0.23 0.00 0.00 178.00 178.46 3g5p h VAL 16 N 0.00 0.44 0.00 1.56 3.04 -1.92 -0.79 116.25 118.57 3g5p h VAL 16 Ca 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 3g5p h VAL 16 Cb 0.11 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 3g5p h VAL 16 CO 0.00 0.01 -0.03 0.18 -1.01 0.00 0.00 177.57 176.73 3g5p n LEU 17 N -3.69 0.16 -0.07 3.16 4.77 -0.56 -3.50 117.00 117.27 3g5p n LEU 17 Ca -0.03 0.49 0.05 0.00 -0.03 0.00 0.00 56.01 56.49 3g5p n LEU 17 Cb 0.10 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 3g5p n LEU 17 CO 0.26 -0.03 0.05 0.54 -1.33 0.00 0.00 177.39 176.88 3g5p n ARG 18 N -1.63 3.12 -1.65 3.23 3.00 -0.34 -4.14 116.66 118.25 3g5p n ARG 18 Ca 0.07 -0.19 -0.29 0.00 -0.01 0.00 0.00 57.85 57.43 3g5p n ARG 18 Cb 0.36 -1.03 0.11 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 -1.82 1.59 -0.29 -0.13 0.00 -0.96 -4.54 107.32 101.18 3g5p s GLY 19 Ca 0.05 -0.47 -0.13 0.00 0.00 0.00 0.00 44.72 44.16 3g5p s GLY 19 CO 0.38 0.03 0.30 0.14 0.00 0.00 0.00 173.10 173.95 3g5p s VAL 20 N -3.33 5.23 0.35 1.40 1.01 -1.26 -2.64 120.40 121.15 3g5p s VAL 20 Ca 0.62 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 3g5p s VAL 20 Cb -0.14 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 3g5p s VAL 20 CO 0.52 0.14 1.43 0.00 0.00 0.00 0.00 175.10 177.19 3g5p s ALA 21 N 1.94 3.56 0.42 5.51 0.00 -0.32 -4.98 121.76 127.89 3g5p s ALA 21 Ca 0.11 1.45 -0.22 0.00 0.00 0.00 0.00 51.96 53.30 3g5p s ALA 21 Cb -0.16 -3.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.30 3g5p s ALA 21 CO 0.11 -0.89 1.01 0.00 0.00 0.00 0.00 175.76 175.98 3g5p s ALA 22 N -0.98 3.03 0.73 0.00 0.00 -0.37 -4.61 121.76 119.55 3g5p s ALA 22 Ca 0.52 0.57 -0.15 0.00 0.00 0.00 0.00 51.96 52.90 3g5p s ALA 22 Cb -0.44 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.50 3g5p s ALA 22 CO 0.57 -0.10 1.23 -2.14 0.00 0.00 0.00 175.76 175.32 3g5p s PRO 23 N -2.84 2.09 0.05 0.00 0.02 -1.26 -0.78 135.00 132.29 3g5p s PRO 23 Ca 0.61 1.84 -0.31 0.00 0.02 0.00 0.00 61.00 63.16 3g5p s PRO 23 Cb -0.16 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 3g5p s PRO 23 CO 0.21 -1.89 1.20 0.08 -0.33 0.00 0.00 177.00 176.26 3g5p s VAL 24 N -1.88 4.07 0.40 3.83 1.01 -1.26 -4.78 120.40 121.78 3g5p s VAL 24 Ca 0.76 1.48 -0.26 0.00 0.00 0.00 0.00 61.98 63.96 3g5p s VAL 24 Cb -0.31 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 3g5p s VAL 24 CO 0.45 0.10 1.20 -1.61 0.00 0.00 0.00 175.10 175.25 3g5p s GLU 25 N 1.17 4.06 0.49 2.72 8.01 -1.26 -4.93 118.70 128.96 3g5p s GLU 25 Ca 0.58 1.91 0.20 0.00 0.01 0.00 0.00 54.97 57.67 3g5p s GLU 25 Cb -0.29 -2.72 1.23 0.00 -4.31 0.00 0.00 34.13 28.04 3g5p s GLU 25 CO 0.29 -0.34 2.00 0.00 0.01 0.00 0.00 175.26 177.22 3g5p h ARG 26 N 2.70 0.17 0.00 1.61 3.08 -1.99 0.58 114.38 120.52 3g5p h ARG 26 Ca -0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3g5p h ARG 26 Cb 1.24 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3g5p h ARG 26 CO 0.63 0.11 0.00 0.00 -1.07 0.00 0.00 179.97 179.64 3g5p h ALA 27 N 1.75 1.00 0.00 0.04 0.00 -2.03 -2.10 119.26 117.91 3g5p h ALA 27 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3g5p h ALA 27 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3g5p h ALA 27 CO -0.04 0.00 -0.68 1.96 0.00 0.00 0.00 179.25 180.49 3g5p h GLN 28 N 0.00 0.00 -6.60 0.00 1.08 -1.25 -3.45 115.11 104.88 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 0.24 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.72 3g5p h GLN 28 CO 0.00 0.00 0.99 -0.51 -0.95 0.00 0.00 178.83 178.36 3g5p s LEU 29 N -5.20 4.37 0.00 1.46 1.43 -0.79 -1.56 118.68 118.39 3g5p s LEU 29 Ca 0.03 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 3g5p s LEU 29 Cb 0.10 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.73 3g5p s LEU 29 CO 0.74 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 177.01 3g5p n GLY 30 N 3.95 2.05 3.89 -3.19 0.00 0.21 -4.93 105.19 107.18 3g5p n GLY 30 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.95 1.61 0.37 -0.02 0.00 -0.60 -4.95 107.32 101.77 3g5p s GLY 31 Ca 0.00 -0.39 0.06 0.00 0.00 0.00 0.00 44.72 44.39 3g5p s GLY 31 CO 0.00 -0.10 1.93 -0.56 0.00 0.00 0.00 173.10 174.38 3g5p h PRO 32 N -0.32 0.47 -0.04 2.90 0.13 -1.95 -1.89 132.00 131.29 3g5p h PRO 32 Ca -0.45 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 3g5p h PRO 32 Cb 1.23 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3g5p h PRO 32 CO 0.62 0.46 -0.01 0.93 -0.23 0.00 0.00 178.00 179.78 3g5p h GLU 33 N 0.46 0.08 -0.62 0.86 3.07 -1.95 -0.01 114.58 116.46 3g5p h GLU 33 Ca 0.11 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.87 3g5p h GLU 33 Cb 0.23 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 3g5p h GLU 33 CO 0.00 0.41 0.14 1.25 -1.40 0.00 0.00 179.01 179.41 3g5p h LEU 34 N -0.25 0.93 -1.11 1.33 5.85 -1.80 -1.16 115.31 119.10 3g5p h LEU 34 Ca 0.01 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3g5p h LEU 34 Cb 0.38 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3g5p h LEU 34 CO 0.00 0.91 0.28 -0.61 -0.34 0.00 0.00 178.44 178.68 3g5p h GLN 35 N 0.94 0.91 -0.54 1.25 4.15 -1.08 -0.34 115.11 120.39 3g5p h GLN 35 Ca 0.20 -0.13 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 3g5p h GLN 35 Cb 0.35 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 3g5p h GLN 35 CO 0.00 0.72 0.03 -0.09 -1.93 0.00 0.00 178.83 177.56 3g5p h ARG 36 N 0.90 0.93 -0.38 1.69 2.43 -0.47 -0.98 114.38 118.51 3g5p h ARG 36 Ca 0.22 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3g5p h ARG 36 Cb 0.13 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3g5p h ARG 36 CO -0.02 0.93 0.12 1.25 -1.51 0.00 0.00 179.97 180.74 3g5p h LEU 37 N 0.81 0.55 -0.75 3.80 5.85 -0.89 -0.95 115.31 123.73 3g5p h LEU 37 Ca 0.16 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3g5p h LEU 37 Cb 0.49 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3g5p h LEU 37 CO 0.02 0.61 -0.10 0.71 -0.34 0.00 0.00 178.44 179.34 3g5p h THR 38 N 0.46 1.26 -0.70 1.05 1.35 -0.96 -1.26 112.91 114.12 3g5p h THR 38 Ca 0.12 -1.18 -0.02 0.00 -0.55 0.00 0.00 66.41 64.78 3g5p h THR 38 Cb 0.25 1.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.64 3g5p h THR 38 CO -0.00 0.41 0.35 -0.61 -0.25 0.00 0.00 175.52 175.42 3g5p h GLN 39 N 0.77 0.99 -0.43 4.72 4.15 -0.96 -1.86 115.11 122.50 3g5p h GLN 39 Ca 0.13 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 3g5p h GLN 39 Cb 0.60 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 3g5p h GLN 39 CO 0.04 0.77 0.18 -0.09 -1.93 0.00 0.00 178.83 177.79 3g5p h ARG 40 N 0.96 0.63 -0.29 1.69 9.65 -0.83 -0.55 114.38 125.65 3g5p h ARG 40 Ca 0.24 -0.11 0.02 0.00 -1.10 0.00 0.00 59.98 59.03 3g5p h ARG 40 Cb 0.09 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 3g5p h ARG 40 CO -0.03 0.57 0.14 -0.07 2.80 0.00 0.00 179.97 183.38 3g5p h LEU 41 N 0.55 0.20 -0.69 3.80 3.38 -1.10 -1.42 115.31 120.03 3g5p h LEU 41 Ca 0.14 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3g5p h LEU 41 Cb 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3g5p h LEU 41 CO -0.01 0.16 -0.32 0.58 0.09 0.00 0.00 178.44 178.93 3g5p h VAL 42 N 0.30 1.28 -0.57 1.22 2.07 -1.10 0.17 116.25 119.61 3g5p h VAL 42 Ca 0.12 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3g5p h VAL 42 Cb 0.04 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3g5p h VAL 42 CO -0.09 0.47 0.36 -0.61 0.02 0.00 0.00 177.57 177.72 3g5p h GLN 43 N 0.56 0.77 -0.29 1.57 4.15 -0.90 -1.22 115.11 119.75 3g5p h GLN 43 Ca 0.06 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 3g5p h GLN 43 Cb 0.82 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.34 3g5p h GLN 43 CO 0.07 0.53 -0.32 0.28 -1.93 0.00 0.00 178.83 177.46 3g5p h VAL 44 N 0.77 1.30 -0.65 2.39 2.07 -0.94 -0.83 116.25 120.36 3g5p h VAL 44 Ca 0.21 -1.50 0.10 0.00 0.82 0.00 0.00 66.70 66.33 3g5p h VAL 44 Cb -0.05 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 3g5p h VAL 44 CO -0.04 0.48 0.27 -0.03 0.02 0.00 0.00 177.57 178.27 3g5p h MET 45 N 0.49 0.46 -0.44 1.57 1.85 -0.83 0.45 114.93 118.48 3g5p h MET 45 Ca 0.04 -0.03 -0.10 0.00 -0.61 0.00 0.00 59.70 59.00 3g5p h MET 45 Cb 0.90 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.82 3g5p h MET 45 CO 0.08 0.30 -0.13 0.00 -0.40 0.00 0.00 176.91 176.76 3g5p h ARG 46 N 0.47 0.87 -0.28 0.39 3.08 -1.09 -0.53 114.38 117.29 3g5p h ARG 46 Ca 0.33 -0.35 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3g5p h ARG 46 Cb 0.40 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3g5p h ARG 46 CO -0.30 0.99 0.16 -0.09 -1.07 0.00 0.00 179.97 179.66 3g5p h ARG 47 N 0.70 0.32 -0.00 0.04 9.65 -0.75 -3.08 114.38 121.26 3g5p h ARG 47 Ca 0.11 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3g5p h ARG 47 Cb 0.68 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 3g5p h ARG 47 CO 0.05 0.21 -0.08 0.54 2.80 0.00 0.00 179.97 183.49 3g5p n ARG 48 N -4.94 0.69 -3.27 0.20 5.12 0.11 -4.93 116.66 109.65 3g5p n ARG 48 Ca -0.01 -0.20 -0.23 0.00 -1.93 0.00 0.00 57.85 55.47 3g5p n ARG 48 Cb 0.05 -1.50 0.02 0.00 -1.16 0.00 0.00 32.46 29.87 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 -0.98 -4.35 -3.49 5.56 1.74 -0.27 -4.97 116.66 109.90 3g5p n ARG 49 Ca 0.15 0.68 -0.34 0.00 -0.77 0.00 0.00 57.85 57.57 3g5p n ARG 49 Cb 0.26 -5.48 -0.05 0.00 -1.02 0.00 0.00 32.46 26.17 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 2.51 0.00 -3.69 0.00 2.07 -1.87 -3.43 116.25 111.85 3g5p h VAL 51 Ca -0.48 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.18 3g5p h VAL 51 Cb 1.18 1.51 -0.12 0.00 -1.52 0.00 0.00 31.29 32.34 3g5p h VAL 51 CO 0.68 0.00 -0.21 -0.83 0.02 0.00 0.00 177.57 177.23 3g5p s GLY 52 N -4.03 0.26 -0.00 2.17 0.00 -1.26 -0.67 107.32 103.80 3g5p s GLY 52 Ca 0.05 -0.65 -0.28 0.00 0.00 0.00 0.00 44.72 43.84 3g5p s GLY 52 CO 0.71 -0.64 0.73 -2.27 0.00 0.00 0.00 173.10 171.63 3g5p s LEU 53 N -2.93 -0.56 0.15 0.66 2.96 -0.71 -4.98 118.68 113.28 3g5p s LEU 53 Ca 0.14 0.39 0.06 0.00 -0.22 0.00 0.00 54.13 54.50 3g5p s LEU 53 Cb 0.02 2.40 -0.04 0.00 0.50 0.00 0.00 46.19 49.07 3g5p s LEU 53 CO -0.02 -0.67 -0.14 -0.94 -1.32 0.00 0.00 176.35 173.26 3g5p s SER 54 N -1.77 2.18 0.43 3.68 1.04 -1.26 -0.73 113.70 117.28 3g5p s SER 54 Ca -0.04 -0.91 0.09 0.00 0.48 0.00 0.00 55.95 55.57 3g5p s SER 54 Cb -0.00 -0.08 0.96 0.00 0.10 0.00 0.00 66.02 66.99 3g5p s SER 54 CO 0.00 -0.17 2.07 0.00 0.98 0.00 0.00 173.24 176.12 3g5p h ALA 55 N 3.10 1.80 0.00 5.32 0.00 -1.28 -1.64 119.26 126.57 3g5p h ALA 55 Ca -0.39 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3g5p h ALA 55 Cb 1.20 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3g5p h ALA 55 CO 0.56 0.18 -0.10 -1.35 0.00 0.00 0.00 179.25 178.54 3g5p h PRO 56 N 0.44 0.00 0.00 0.00 0.11 -1.61 0.43 132.00 131.36 3g5p h PRO 56 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3g5p h PRO 56 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 3g5p h PRO 56 CO -0.03 0.10 0.00 1.96 -0.21 0.00 0.00 178.00 179.82 3g5p h GLN 57 N 0.00 0.00 -0.65 1.05 4.20 -1.58 -1.32 115.11 116.81 3g5p h GLN 57 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3g5p h GLN 57 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3g5p h GLN 57 CO 0.01 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.45 3g5p n LEU 58 N -2.72 4.87 0.00 1.46 4.77 0.05 -0.20 117.00 125.23 3g5p n LEU 58 Ca 0.02 -2.46 0.00 0.00 -0.03 0.00 0.00 56.01 53.54 3g5p n LEU 58 Cb 0.32 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3g5p n LEU 58 CO 0.26 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 3g5p n GLY 59 N 1.01 0.64 3.18 -0.72 0.00 -0.50 -4.95 105.19 103.86 3g5p n GLY 59 Ca 0.26 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 3.02 -1.42 1.61 1.01 -0.67 -4.97 120.40 116.98 3g5p s VAL 60 Ca 0.00 -1.36 -0.09 0.00 0.00 0.00 0.00 61.98 60.53 3g5p s VAL 60 Cb 0.00 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.58 3g5p s VAL 60 CO 0.00 -0.10 2.92 -0.81 0.00 0.00 0.00 175.10 177.11 3g5p n PRO 61 N 4.63 3.70 -4.28 2.72 -0.04 -1.26 -1.99 135.00 138.48 3g5p n PRO 61 Ca -0.13 -2.32 -0.20 0.00 -0.04 0.00 0.00 63.50 60.81 3g5p n PRO 61 Cb 0.43 -2.69 -0.11 0.00 -0.04 0.00 0.00 33.50 31.09 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 1.45 1.12 -1.21 0.54 1.81 -1.26 -1.23 118.95 120.16 3g5p s ARG 62 Ca 0.67 -1.28 -0.19 0.00 -1.72 0.00 0.00 55.73 53.21 3g5p s ARG 62 Cb 0.20 -1.12 -0.02 0.00 -0.45 0.00 0.00 34.95 33.56 3g5p s ARG 62 CO -0.06 0.23 1.92 1.04 -0.68 0.00 0.00 175.30 177.75 3g5p n GLN 63 N 0.55 2.41 -3.98 3.54 6.02 0.04 -4.43 117.38 121.53 3g5p n GLN 63 Ca -0.15 -2.68 -0.15 0.00 -0.01 0.00 0.00 57.00 54.01 3g5p n GLN 63 Cb 0.56 -3.42 -0.15 0.00 1.02 0.00 0.00 30.24 28.26 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 5.98 0.19 0.04 5.09 1.01 -1.26 -0.77 120.40 130.68 3g5p s VAL 64 Ca 0.57 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 3g5p s VAL 64 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.23 3g5p s VAL 64 CO 0.07 0.09 0.12 -1.48 0.00 0.00 0.00 175.10 173.90 3g5p s LEU 65 N 0.33 1.69 0.10 3.92 0.05 -0.41 -0.98 118.68 123.38 3g5p s LEU 65 Ca -0.03 -0.51 0.05 0.00 0.05 0.00 0.00 54.13 53.69 3g5p s LEU 65 Cb -0.06 0.71 -0.03 0.00 -2.05 0.00 0.00 46.19 44.76 3g5p s LEU 65 CO -0.01 -0.54 -0.14 0.00 -0.55 0.00 0.00 176.35 175.12 3g5p s ALA 66 N -2.72 1.32 -0.08 1.48 0.00 0.09 -1.15 121.76 120.70 3g5p s ALA 66 Ca -0.04 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 3g5p s ALA 66 Cb -0.00 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.07 3g5p s ALA 66 CO -0.05 0.11 0.21 -0.51 0.00 0.00 0.00 175.76 175.52 3g5p s LEU 67 N -2.17 1.04 -0.28 0.00 1.43 -0.32 -1.73 118.68 116.65 3g5p s LEU 67 Ca 0.04 0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 53.41 3g5p s LEU 67 Cb -0.07 0.69 0.11 0.00 0.03 0.00 0.00 46.19 46.95 3g5p s LEU 67 CO 0.02 -0.09 0.78 -0.70 0.23 0.00 0.00 176.35 176.59 3g5p s GLU 68 N 0.38 0.59 -0.33 1.70 2.12 0.15 -1.17 118.70 122.14 3g5p s GLU 68 Ca -0.02 1.06 0.01 0.00 0.36 0.00 0.00 54.97 56.39 3g5p s GLU 68 Cb -0.04 0.18 0.10 0.00 0.26 0.00 0.00 34.13 34.64 3g5p s GLU 68 CO -0.02 -0.13 0.09 -1.17 -0.54 0.00 0.00 175.26 173.49 3g5p s LEU 69 N 1.67 3.25 0.61 2.70 2.96 -0.57 -4.50 118.68 124.80 3g5p s LEU 69 Ca -0.09 -1.92 -0.15 0.00 -0.22 0.00 0.00 54.13 51.75 3g5p s LEU 69 Cb -0.05 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 3g5p s LEU 69 CO -0.18 -0.39 1.07 -2.84 -1.32 0.00 0.00 176.35 172.68 3g5p s PRO 70 N 1.24 3.22 0.29 0.98 0.02 -1.26 -1.76 135.00 137.74 3g5p s PRO 70 Ca 0.11 1.23 0.04 0.00 0.02 0.00 0.00 61.00 62.40 3g5p s PRO 70 Cb -0.18 -2.02 0.71 0.00 0.02 0.00 0.00 34.50 33.03 3g5p s PRO 70 CO -0.17 -0.89 1.75 1.49 -0.33 0.00 0.00 177.00 178.85 3g5p h GLU 71 N 0.34 0.61 -0.52 5.54 4.22 -1.96 -2.79 114.58 120.04 3g5p h GLU 71 Ca -0.47 -0.04 0.02 0.00 0.08 0.00 0.00 59.36 58.95 3g5p h GLU 71 Cb 1.22 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 3g5p h GLU 71 CO 0.57 0.41 0.32 0.00 -2.18 0.00 0.00 179.01 178.12 3g5p h ALA 72 N 1.65 0.66 -0.73 2.92 0.00 -1.98 -0.43 119.26 121.35 3g5p h ALA 72 Ca 0.56 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.51 3g5p h ALA 72 Cb 0.93 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3g5p h ALA 72 CO -0.42 0.04 0.43 -0.07 0.00 0.00 0.00 179.25 179.23 3g5p h LEU 73 N 0.64 0.65 -0.97 0.00 3.38 -1.87 -1.81 115.31 115.34 3g5p h LEU 73 Ca 0.20 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3g5p h LEU 73 Cb -0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3g5p h LEU 73 CO -0.08 0.42 0.15 0.00 0.09 0.00 0.00 178.44 179.02 3g5p h ARG 75 N 0.86 0.00 0.00 0.00 3.08 -0.37 -2.04 114.38 115.91 3g5p h ARG 75 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3g5p h ARG 75 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3g5p h ARG 75 CO -0.00 0.33 0.00 1.49 -1.07 0.00 0.00 179.97 180.72 3g5p h GLU 76 N 0.00 0.00 -6.37 0.04 4.57 -1.24 -3.44 114.58 108.15 3g5p h GLU 76 Ca -0.00 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.63 3g5p h GLU 76 Cb 0.71 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 3g5p h GLU 76 CO 0.04 0.00 0.51 0.00 -1.18 0.00 0.00 179.01 178.38 3g5p n PRO 78 N 4.42 1.09 -0.36 0.00 -0.02 -1.26 -4.59 135.00 134.27 3g5p n PRO 78 Ca 0.08 0.40 0.06 0.00 -2.02 0.00 0.00 63.50 62.01 3g5p n PRO 78 Cb 0.49 -1.95 0.22 0.00 -0.02 0.00 0.00 33.50 32.23 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 1.15 1.02 -0.47 0.52 0.11 -1.93 0.14 132.00 132.54 3g5p h PRO 79 Ca -0.45 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 3g5p h PRO 79 Cb 1.36 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3g5p h PRO 79 CO 0.54 0.68 -0.22 0.00 -0.21 0.00 0.00 178.00 178.79 3g5p h ARG 80 N 1.05 0.96 -0.38 1.05 3.08 -2.00 -1.32 114.38 116.82 3g5p h ARG 80 Ca 0.48 -0.41 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 3g5p h ARG 80 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3g5p h ARG 80 CO -0.24 1.08 -0.09 0.37 -1.07 0.00 0.00 179.97 180.02 3g5p h GLN 81 N 0.83 0.73 -0.65 0.04 4.15 -1.71 -1.75 115.11 116.74 3g5p h GLN 81 Ca 0.11 -0.28 0.04 0.00 0.77 0.00 0.00 58.65 59.28 3g5p h GLN 81 Cb 0.79 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.39 3g5p h GLN 81 CO 0.07 0.88 0.39 -0.09 -1.93 0.00 0.00 178.83 178.14 3g5p h ARG 82 N 0.54 0.73 -0.32 1.69 2.43 -0.72 0.23 114.38 118.96 3g5p h ARG 82 Ca 0.10 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 3g5p h ARG 82 Cb 0.61 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3g5p h ARG 82 CO 0.04 0.48 -0.46 0.00 -1.51 0.00 0.00 179.97 178.52 3g5p h ALA 83 N 1.30 0.49 -0.56 2.80 0.00 -1.16 -1.43 119.26 120.70 3g5p h ALA 83 Ca 0.27 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3g5p h ALA 83 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3g5p h ALA 83 CO -0.13 0.64 -0.00 1.25 0.00 0.00 0.00 179.25 181.01 3g5p h LEU 84 N 0.67 0.97 -0.05 0.00 5.85 -1.01 -2.60 115.31 119.13 3g5p h LEU 84 Ca 0.03 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3g5p h LEU 84 Cb 1.06 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.83 3g5p h LEU 84 CO 0.11 1.04 -0.01 0.54 -0.34 0.00 0.00 178.44 179.77 3g5p n ARG 85 N -4.24 0.68 -3.81 1.25 1.74 0.04 -4.93 116.66 107.38 3g5p n ARG 85 Ca 0.02 -0.05 -0.31 0.00 -0.77 0.00 0.00 57.85 56.74 3g5p n ARG 85 Cb 0.34 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.30 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 -1.12 -1.84 -3.57 5.56 6.02 -0.66 -2.69 117.38 119.08 3g5p n GLN 86 Ca 0.18 0.40 -0.40 0.00 -0.01 0.00 0.00 57.00 57.17 3g5p n GLN 86 Cb 0.21 -4.09 -0.11 0.00 1.02 0.00 0.00 30.24 27.26 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 -6.33 3.53 0.02 -1.09 1.75 -0.63 -2.21 119.30 114.33 3g5p s MET 87 Ca 0.32 -0.61 -0.01 0.00 -1.25 0.00 0.00 55.69 54.13 3g5p s MET 87 Cb -0.12 -3.73 -0.02 0.00 2.84 0.00 0.00 34.83 33.80 3g5p s MET 87 CO 0.88 -0.40 -0.01 -1.21 -0.65 0.00 0.00 175.02 173.63 3g5p s GLU 88 N 1.70 0.34 0.56 4.11 0.41 -1.26 -4.85 118.70 119.71 3g5p s GLU 88 Ca 0.06 -0.63 -0.18 0.00 -0.41 0.00 0.00 54.97 53.81 3g5p s GLU 88 Cb -0.17 0.12 -0.05 0.00 -1.78 0.00 0.00 34.13 32.25 3g5p s GLU 88 CO 0.10 -0.06 1.07 -1.25 -0.49 0.00 0.00 175.26 174.63 3g5p s PRO 89 N -1.59 3.43 0.01 0.39 0.04 -1.26 -4.87 135.00 131.15 3g5p s PRO 89 Ca -0.15 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 3g5p s PRO 89 Cb -0.09 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.43 3g5p s PRO 89 CO -0.01 -0.74 0.25 -0.59 0.04 0.00 0.00 177.00 175.95 3g5p s PHE 90 N -2.16 -0.08 0.81 0.56 -0.71 -0.72 -4.98 117.98 110.70 3g5p s PHE 90 Ca 0.67 0.02 -0.12 0.00 -1.04 0.00 0.00 56.93 56.46 3g5p s PHE 90 Cb -0.18 0.04 0.08 0.00 -1.21 0.00 0.00 43.02 41.75 3g5p s PHE 90 CO 0.30 -0.41 1.15 -1.25 -1.34 0.00 0.00 175.22 173.67 3g5p s PRO 91 N -1.87 1.96 0.14 1.99 0.04 -1.26 -1.51 135.00 134.50 3g5p s PRO 91 Ca -0.10 0.25 -0.34 0.00 0.04 0.00 0.00 61.00 60.85 3g5p s PRO 91 Cb -0.04 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.43 3g5p s PRO 91 CO 0.00 -1.62 1.63 -0.11 0.04 0.00 0.00 177.00 176.94 3g5p n LEU 92 N -3.36 3.23 -4.07 -3.56 7.94 -1.26 -4.60 117.00 111.31 3g5p n LEU 92 Ca 0.07 1.07 -0.24 0.00 -1.11 0.00 0.00 56.01 55.81 3g5p n LEU 92 Cb 0.60 -1.44 -0.16 0.00 0.53 0.00 0.00 43.42 42.95 3g5p n LEU 92 CO 0.57 -0.22 -0.47 -0.13 -1.11 0.00 0.00 177.39 176.03 3g5p s ARG 93 N 1.30 1.43 -0.12 1.96 0.52 -0.32 -5.01 118.95 118.71 3g5p s ARG 93 Ca 0.80 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.54 3g5p s ARG 93 Cb -0.66 -1.27 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 3g5p s ARG 93 CO 0.39 0.18 -0.14 0.08 0.02 0.00 0.00 175.30 175.83 3g5p s VAL 94 N 0.13 3.00 -0.06 3.52 1.01 -1.26 -1.17 120.40 125.57 3g5p s VAL 94 Ca -0.04 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.31 3g5p s VAL 94 Cb -0.10 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3g5p s VAL 94 CO 0.01 0.53 -0.21 -0.36 0.00 0.00 0.00 175.10 175.07 3g5p s PHE 95 N 0.24 2.52 -0.05 5.22 0.40 -0.30 -4.39 117.98 121.61 3g5p s PHE 95 Ca -0.09 -0.52 0.06 0.00 -0.60 0.00 0.00 56.93 55.78 3g5p s PHE 95 Cb -0.15 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.75 3g5p s PHE 95 CO 0.05 -0.08 -0.25 0.08 0.70 0.00 0.00 175.22 175.72 3g5p s VAL 96 N -0.34 2.10 -1.45 -0.44 1.01 0.10 -1.29 120.40 120.09 3g5p s VAL 96 Ca 0.02 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 3g5p s VAL 96 Cb -0.12 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.53 3g5p s VAL 96 CO 0.02 0.57 0.48 0.59 0.00 0.00 0.00 175.10 176.76 3g5p n ASN 97 N 2.87 -0.83 -4.85 3.32 3.02 0.05 -0.68 115.26 118.17 3g5p n ASN 97 Ca -0.17 -1.00 -0.31 0.00 -0.03 0.00 0.00 54.58 53.07 3g5p n ASN 97 Cb 0.52 -3.05 0.02 0.00 -0.61 0.00 0.00 39.78 36.67 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 -6.60 3.33 0.14 3.52 0.04 -1.26 -4.61 135.00 129.56 3g5p s PRO 98 Ca 0.12 0.86 0.05 0.00 0.04 0.00 0.00 61.00 62.06 3g5p s PRO 98 Cb -0.06 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3g5p s PRO 98 CO 0.89 -0.78 -0.11 -1.54 0.04 0.00 0.00 177.00 175.50 3g5p s SER 99 N -3.92 1.79 -0.01 6.66 1.04 0.37 -4.97 113.70 114.66 3g5p s SER 99 Ca 0.57 -0.94 0.06 0.00 0.48 0.00 0.00 55.95 56.11 3g5p s SER 99 Cb -0.12 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.96 3g5p s SER 99 CO 0.53 -0.28 -0.18 -0.22 0.98 0.00 0.00 173.24 174.07 3g5p s LEU 100 N -2.92 2.04 -0.01 2.42 0.20 -1.26 -1.47 118.68 117.68 3g5p s LEU 100 Ca 0.13 -0.33 0.03 0.00 0.69 0.00 0.00 54.13 54.66 3g5p s LEU 100 Cb 0.00 -0.92 -0.01 0.00 -0.43 0.00 0.00 46.19 44.84 3g5p s LEU 100 CO 0.01 0.21 -0.11 -0.13 -0.29 0.00 0.00 176.35 176.04 3g5p s ARG 101 N -0.46 0.96 -0.01 1.98 0.52 -0.11 -4.98 118.95 116.85 3g5p s ARG 101 Ca 0.07 -0.41 -0.28 0.00 -0.52 0.00 0.00 55.73 54.59 3g5p s ARG 101 Cb -0.07 -0.92 -0.03 0.00 0.52 0.00 0.00 34.95 34.44 3g5p s ARG 101 CO -0.01 0.23 0.89 0.08 0.02 0.00 0.00 175.30 176.52 3g5p s VAL 102 N -0.21 4.90 -0.20 3.52 1.01 -1.26 0.52 120.40 128.68 3g5p s VAL 102 Ca 0.03 1.87 0.07 0.00 0.00 0.00 0.00 61.98 63.95 3g5p s VAL 102 Cb -0.05 -4.23 -0.17 0.00 0.00 0.00 0.00 36.38 31.93 3g5p s VAL 102 CO -0.00 0.20 -0.09 0.18 0.00 0.00 0.00 175.10 175.39 3g5p n LEU 103 N 3.77 1.77 -3.74 3.92 4.77 0.03 -4.88 117.00 122.64 3g5p n LEU 103 Ca 0.03 -0.07 -0.26 0.00 -0.03 0.00 0.00 56.01 55.68 3g5p n LEU 103 Cb 0.51 -0.29 -0.17 0.00 -2.33 0.00 0.00 43.42 41.14 3g5p n LEU 103 CO 0.50 0.69 -0.37 -0.62 -1.33 0.00 0.00 177.39 176.26 3g5p s ASP 104 N -5.72 2.49 0.00 -1.43 -1.08 -0.62 -4.94 116.67 105.36 3g5p s ASP 104 Ca -0.21 -0.59 0.24 0.00 -0.52 0.00 0.00 52.55 51.47 3g5p s ASP 104 Cb 0.07 -0.54 0.80 0.00 -1.46 0.00 0.00 42.92 41.79 3g5p s ASP 104 CO 0.59 -0.27 1.60 -1.54 0.52 0.00 0.00 175.17 176.06 3g5p n SER 105 N 5.08 1.86 -4.69 -0.34 3.41 -1.26 -2.34 113.62 115.34 3g5p n SER 105 Ca -0.08 -1.67 -0.44 0.00 -0.26 0.00 0.00 58.87 56.42 3g5p n SER 105 Cb 0.48 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.44 2.21 -3.60 4.33 3.00 -1.26 -4.74 116.66 117.05 3g5p n ARG 106 Ca 0.17 0.79 -0.38 0.00 -0.00 0.00 0.00 57.85 58.43 3g5p n ARG 106 Cb 0.39 -2.46 -0.06 0.00 0.00 0.00 0.00 32.46 30.32 3g5p n ARG 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3g5p s LEU 107 N -0.20 4.44 -0.04 6.15 1.43 -1.26 -0.31 118.68 128.89 3g5p s LEU 107 Ca 0.65 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.59 3g5p s LEU 107 Cb -0.60 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.18 3g5p s LEU 107 CO 0.51 0.33 -0.13 0.54 0.23 0.00 0.00 176.35 177.83 3g5p s VAL 108 N -0.94 1.11 -0.12 -1.59 0.11 0.35 -4.90 120.40 114.41 3g5p s VAL 108 Ca 0.21 -0.53 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 3g5p s VAL 108 Cb -0.15 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.72 3g5p s VAL 108 CO 0.10 0.33 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.13 3g5p s THR 109 N 0.18 2.58 0.12 5.04 2.01 -1.26 -0.56 115.64 123.75 3g5p s THR 109 Ca -0.05 -0.83 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 3g5p s THR 109 Cb -0.11 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.36 3g5p s THR 109 CO 0.02 0.54 0.28 -0.36 -0.69 0.00 0.00 174.62 174.40 3g5p s PHE 110 N 0.37 0.12 0.40 4.92 0.08 -1.22 -4.92 117.98 117.72 3g5p s PHE 110 Ca -0.14 -0.50 -0.27 0.00 0.12 0.00 0.00 56.93 56.14 3g5p s PHE 110 Cb -0.17 0.04 -0.09 0.00 -0.57 0.00 0.00 43.02 42.22 3g5p s PHE 110 CO 0.07 -0.64 1.36 -2.14 -0.10 0.00 0.00 175.22 173.76 3g5p s PRO 111 N -3.87 4.01 0.05 0.24 0.02 -1.26 -1.42 135.00 132.76 3g5p s PRO 111 Ca 0.08 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.39 3g5p s PRO 111 Cb 0.04 -2.83 -0.03 0.00 0.02 0.00 0.00 34.50 31.70 3g5p s PRO 111 CO -0.08 -0.50 -0.06 -2.00 -0.33 0.00 0.00 177.00 174.02 3g5p s GLU 112 N -2.18 0.57 0.03 5.54 2.12 0.29 -4.92 118.70 120.17 3g5p s GLU 112 Ca 0.55 -0.92 0.00 0.00 0.36 0.00 0.00 54.97 54.97 3g5p s GLU 112 Cb -0.41 -0.16 -0.00 0.00 0.26 0.00 0.00 34.13 33.83 3g5p s GLU 112 CO 0.53 0.00 0.01 0.41 -0.54 0.00 0.00 175.26 175.67 3g5p n GLY 113 N 0.99 4.10 3.38 -1.50 0.00 -1.26 -1.46 105.19 109.43 3g5p n GLY 113 Ca -0.20 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 43.64 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 6.50 0.00 -0.22 0.00 4.39 -1.96 -1.04 114.58 122.24 3g5p h GLU 115 Ca -0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3g5p h GLU 115 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3g5p h GLU 115 CO 0.24 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.52 3g5p n SER 116 N -2.94 2.21 -3.18 1.42 7.64 -1.26 -3.96 113.62 113.55 3g5p n SER 116 Ca -0.01 -1.80 -0.23 0.00 1.01 0.00 0.00 58.87 57.84 3g5p n SER 116 Cb 0.16 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.69 0.51 -1.71 0.44 0.31 -0.40 -0.75 118.33 117.42 3g5p n VAL 117 Ca 0.17 -4.64 -0.43 0.00 -0.01 0.00 0.00 64.34 59.43 3g5p n VAL 117 Cb 0.42 -1.26 -0.03 0.00 -0.91 0.00 0.00 33.84 32.06 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 0.65 2.31 -0.28 3.52 0.00 -1.22 -3.18 120.51 122.31 3g5p n ALA 118 Ca 0.25 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3g5p n ALA 118 Cb 0.54 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 3.12 0.86 3.19 0.00 0.00 -1.26 -5.06 105.19 106.03 3g5p n GLY 119 Ca 0.13 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 1.10 0.07 1.61 0.08 -1.19 -1.03 117.98 116.62 3g5p s PHE 120 Ca 0.00 -0.68 0.02 0.00 0.12 0.00 0.00 56.93 56.39 3g5p s PHE 120 Cb 0.00 -0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 41.82 3g5p s PHE 120 CO 0.00 0.01 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.55 3g5p s LEU 121 N -2.57 2.38 0.12 -0.37 1.43 -0.50 -4.39 118.68 114.79 3g5p s LEU 121 Ca 0.07 -0.78 -0.19 0.00 -1.03 0.00 0.00 54.13 52.20 3g5p s LEU 121 Cb -0.02 -0.13 0.05 0.00 0.03 0.00 0.00 46.19 46.12 3g5p s LEU 121 CO -0.00 -0.33 0.49 0.00 0.23 0.00 0.00 176.35 176.74 3g5p s ALA 122 N -2.50 -1.22 0.19 4.21 0.00 -0.54 -0.92 121.76 120.98 3g5p s ALA 122 Ca 0.01 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.92 3g5p s ALA 122 Cb -0.02 0.69 -0.08 0.00 0.00 0.00 0.00 23.12 23.71 3g5p s ALA 122 CO -0.02 -0.65 1.14 0.00 0.00 0.00 0.00 175.76 176.23 3g5p s VAL 124 N -0.22 0.21 0.20 0.00 1.01 -0.51 -0.57 120.40 120.52 3g5p s VAL 124 Ca 0.51 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 3g5p s VAL 124 Cb -0.31 -0.33 -0.08 0.00 0.00 0.00 0.00 36.38 35.65 3g5p s VAL 124 CO 0.36 0.18 1.21 -2.84 0.00 0.00 0.00 175.10 174.01 3g5p s PRO 125 N 1.34 4.48 0.05 2.72 0.02 -1.26 -3.38 135.00 138.98 3g5p s PRO 125 Ca -0.05 1.90 0.01 0.00 0.02 0.00 0.00 61.00 62.88 3g5p s PRO 125 Cb -0.13 -3.23 -0.03 0.00 0.02 0.00 0.00 34.50 31.13 3g5p s PRO 125 CO -0.02 -0.10 -0.05 1.03 -0.33 0.00 0.00 177.00 177.53 3g5p s ARG 126 N -0.33 0.55 0.49 5.54 1.81 0.27 -4.91 118.95 122.37 3g5p s ARG 126 Ca 0.53 -0.93 -0.22 0.00 -1.72 0.00 0.00 55.73 53.39 3g5p s ARG 126 Cb -0.33 -0.07 -0.07 0.00 -0.45 0.00 0.00 34.95 34.03 3g5p s ARG 126 CO 0.38 -0.02 1.16 -0.06 -0.68 0.00 0.00 175.30 176.07 3g5p s PHE 127 N -2.38 2.79 0.28 -0.53 0.40 -1.26 -0.50 117.98 116.78 3g5p s PHE 127 Ca -0.04 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 57.83 3g5p s PHE 127 Cb -0.03 -3.36 0.40 0.00 0.51 0.00 0.00 43.02 40.54 3g5p s PHE 127 CO -0.03 -1.56 1.76 0.37 0.70 0.00 0.00 175.22 176.47 3g5p h GLN 128 N 1.74 0.65 -3.06 0.44 5.75 -0.26 -3.42 115.11 116.95 3g5p h GLN 128 Ca -0.50 -0.19 -0.14 0.00 -0.15 0.00 0.00 58.65 57.67 3g5p h GLN 128 Cb 1.25 -0.07 -0.23 0.00 1.07 0.00 0.00 27.48 29.50 3g5p h GLN 128 CO 0.59 0.73 -0.35 0.00 -2.65 0.00 0.00 178.83 177.14 3g5p s ALA 129 N -4.82 -0.71 0.12 3.38 0.00 -1.02 -1.00 121.76 117.70 3g5p s ALA 129 Ca -0.08 0.63 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 3g5p s ALA 129 Cb 0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3g5p s ALA 129 CO 0.80 -0.18 0.12 0.14 0.00 0.00 0.00 175.76 176.64 3g5p s VAL 130 N -0.34 0.12 -0.09 0.00 -7.23 -0.44 -0.79 120.40 111.62 3g5p s VAL 130 Ca -0.05 -1.64 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 3g5p s VAL 130 Cb -0.03 -1.77 -0.00 0.00 0.56 0.00 0.00 36.38 35.13 3g5p s VAL 130 CO 0.01 -0.56 -0.24 -1.58 -0.31 0.00 0.00 175.10 172.43 3g5p s GLN 131 N -3.97 2.96 -0.11 4.82 0.74 0.19 -0.96 119.66 123.32 3g5p s GLN 131 Ca 0.16 -0.87 -0.01 0.00 0.05 0.00 0.00 55.36 54.69 3g5p s GLN 131 Cb 0.06 -2.26 -0.02 0.00 1.10 0.00 0.00 33.01 31.88 3g5p s GLN 131 CO -0.03 0.20 -0.09 -1.50 -0.55 0.00 0.00 175.29 173.32 3g5p s ILE 132 N 0.29 3.47 -0.03 -2.34 2.07 -0.31 -0.93 121.20 123.42 3g5p s ILE 132 Ca -0.17 -0.53 0.04 0.00 -1.41 0.00 0.00 60.65 58.57 3g5p s ILE 132 Cb -0.17 -2.46 -0.00 0.00 0.13 0.00 0.00 42.46 39.96 3g5p s ILE 132 CO 0.08 0.54 -0.13 -0.44 -1.91 0.00 0.00 174.94 173.08 3g5p s SER 133 N -0.05 1.66 0.00 4.50 0.01 -0.54 -0.74 113.70 118.55 3g5p s SER 133 Ca -0.01 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 56.99 3g5p s SER 133 Cb -0.14 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.72 3g5p s SER 133 CO 0.03 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.42 3g5p n GLY 134 N 3.08 1.49 3.64 3.44 0.00 -0.22 -0.48 105.19 116.14 3g5p n GLY 134 Ca -0.17 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 3.27 0.81 0.99 1.43 0.15 -0.21 118.68 125.12 3g5p s LEU 135 Ca 0.00 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 3g5p s LEU 135 Cb 0.00 -2.01 0.09 0.00 0.03 0.00 0.00 46.19 44.30 3g5p s LEU 135 CO 0.00 0.19 1.16 1.51 0.23 0.00 0.00 176.35 179.44 3g5p s ASP 136 N -2.17 4.36 0.29 2.29 1.47 0.63 0.02 116.67 123.58 3g5p s ASP 136 Ca 0.23 0.62 0.21 0.00 1.18 0.00 0.00 52.55 54.80 3g5p s ASP 136 Cb -0.11 -1.08 1.08 0.00 -0.34 0.00 0.00 42.92 42.47 3g5p s ASP 136 CO 0.15 -1.96 1.65 -2.65 0.68 0.00 0.00 175.17 173.04 3g5p n PRO 137 N -3.29 0.15 -0.05 2.11 -0.02 -1.26 -0.90 135.00 131.74 3g5p n PRO 137 Ca 0.09 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 3g5p n PRO 137 Cb 0.61 -1.92 0.31 0.00 -0.02 0.00 0.00 33.50 32.47 3g5p n PRO 137 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3g5p n ASN 138 N -2.23 2.35 0.00 2.55 3.02 -1.26 0.66 115.26 120.35 3g5p n ASN 138 Ca -0.00 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 3g5p n ASN 138 Cb 0.08 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3g5p n ASN 138 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g5p n GLY 139 N 1.28 0.69 3.77 7.41 0.00 -0.07 -4.64 105.19 113.62 3g5p n GLY 139 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.65 4.67 0.21 1.61 2.02 -1.26 -4.75 118.70 120.54 3g5p s GLU 140 Ca 0.00 1.40 -0.30 0.00 0.02 0.00 0.00 54.97 56.09 3g5p s GLU 140 Cb 0.00 -2.97 -0.10 0.00 0.10 0.00 0.00 34.13 31.16 3g5p s GLU 140 CO 0.00 0.35 1.44 -1.14 0.02 0.00 0.00 175.26 175.93 3g5p s GLN 141 N -1.74 4.28 -0.03 1.61 2.00 -1.26 -0.27 119.66 124.25 3g5p s GLN 141 Ca 0.47 2.25 0.03 0.00 -2.00 0.00 0.00 55.36 56.10 3g5p s GLN 141 Cb -0.22 -3.15 0.00 0.00 0.80 0.00 0.00 33.01 30.45 3g5p s GLN 141 CO 0.27 -0.44 -0.11 0.08 -0.50 0.00 0.00 175.29 174.60 3g5p s VAL 142 N 0.40 0.93 -0.04 1.34 1.01 0.71 -4.84 120.40 119.92 3g5p s VAL 142 Ca 0.62 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.19 3g5p s VAL 142 Cb -0.41 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.16 3g5p s VAL 142 CO 0.38 0.28 -0.11 -0.69 0.00 0.00 0.00 175.10 174.96 3g5p s VAL 143 N 0.18 1.00 -0.07 2.92 1.01 -1.26 -1.05 120.40 123.12 3g5p s VAL 143 Ca -0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 3g5p s VAL 143 Cb -0.09 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.43 3g5p s VAL 143 CO 0.01 0.31 0.04 0.86 0.00 0.00 0.00 175.10 176.32 3g5p s TRP 144 N 0.26 0.31 -0.22 5.22 -0.00 0.08 -5.00 118.94 119.58 3g5p s TRP 144 Ca -0.05 -0.00 -0.16 0.00 -0.00 0.00 0.00 56.10 55.89 3g5p s TRP 144 Cb -0.11 -0.63 -0.04 0.00 -0.00 0.00 0.00 33.47 32.69 3g5p s TRP 144 CO 0.01 -0.29 0.39 -0.65 -0.00 0.00 0.00 176.95 176.41 3g5p s GLN 145 N 2.09 4.13 0.10 5.86 -0.21 -1.26 -1.16 119.66 129.20 3g5p s GLN 145 Ca 0.04 0.15 0.04 0.00 0.02 0.00 0.00 55.36 55.61 3g5p s GLN 145 Cb -0.13 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.28 3g5p s GLN 145 CO -0.05 -0.11 -0.10 0.00 -2.12 0.00 0.00 175.29 172.92 3g5p s ALA 146 N 1.53 1.12 0.22 6.09 0.00 -0.13 -5.01 121.76 125.58 3g5p s ALA 146 Ca 0.18 -1.20 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 3g5p s ALA 146 Cb -0.15 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3g5p s ALA 146 CO 0.08 -0.04 0.12 -1.54 0.00 0.00 0.00 175.76 174.38 3g5p s SER 147 N -2.48 0.53 1.07 0.00 1.04 -1.26 -1.33 113.70 111.26 3g5p s SER 147 Ca 0.06 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.10 3g5p s SER 147 Cb -0.02 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.40 3g5p s SER 147 CO -0.00 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.02 3g5p n GLY 148 N -0.34 2.37 0.26 7.32 0.00 -0.17 -3.03 105.19 111.59 3g5p n GLY 148 Ca 0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 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 0.72 -0.88 1.61 2.91 -1.22 -1.43 115.95 117.65 3g5p h TRP 149 Ca 0.00 -0.15 0.07 0.00 1.13 0.00 0.00 58.89 59.94 3g5p h TRP 149 Cb 0.00 -0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 28.41 3g5p h TRP 149 CO 0.00 0.79 0.54 0.00 -1.03 0.00 0.00 178.44 178.74 3g5p h ALA 150 N 1.21 1.22 -0.30 2.65 0.00 -1.76 -1.31 119.26 120.97 3g5p h ALA 150 Ca 0.09 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3g5p h ALA 150 Cb 0.66 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3g5p h ALA 150 CO 0.05 0.27 -0.31 0.00 0.00 0.00 0.00 179.25 179.26 3g5p h ALA 151 N 1.42 0.91 -0.36 0.00 0.00 -1.21 -1.67 119.26 118.35 3g5p h ALA 151 Ca 0.39 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3g5p h ALA 151 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3g5p h ALA 151 CO -0.19 0.62 0.17 -0.09 0.00 0.00 0.00 179.25 179.76 3g5p h ARG 152 N 0.53 0.52 -0.83 0.00 2.43 -0.60 -1.59 114.38 114.84 3g5p h ARG 152 Ca 0.06 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3g5p h ARG 152 Cb 0.79 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.21 3g5p h ARG 152 CO 0.07 0.48 0.46 0.82 -1.51 0.00 0.00 179.97 180.29 3g5p h ILE 153 N 0.44 1.24 -0.29 1.20 1.08 -0.96 -0.59 117.51 119.64 3g5p h ILE 153 Ca 0.12 -0.59 0.03 0.00 -0.39 0.00 0.00 64.86 64.03 3g5p h ILE 153 Cb 0.13 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 33.97 3g5p h ILE 153 CO -0.01 0.27 0.09 0.40 -0.69 0.00 0.00 178.15 178.20 3g5p h ILE 154 N 1.16 0.91 -0.85 -0.67 2.04 -1.20 -0.40 117.51 118.50 3g5p h ILE 154 Ca 0.29 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 66.05 3g5p h ILE 154 Cb 0.02 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 3g5p h ILE 154 CO -0.05 0.04 0.40 1.56 0.00 0.00 0.00 178.15 180.10 3g5p h GLN 155 N 0.21 1.22 -0.27 2.37 4.20 -0.79 0.79 115.11 122.85 3g5p h GLN 155 Ca 0.13 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3g5p h GLN 155 Cb 0.11 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3g5p h GLN 155 CO -0.14 0.94 0.05 1.25 -0.67 0.00 0.00 178.83 180.26 3g5p h HIS 156 N 1.21 0.46 -0.31 2.96 2.76 -0.53 0.10 115.15 121.80 3g5p h HIS 156 Ca 0.29 -0.06 -0.17 0.00 -2.20 0.00 0.00 60.37 58.23 3g5p h HIS 156 Cb 0.13 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 3g5p h HIS 156 CO 0.02 0.53 -0.47 0.93 -1.30 0.00 0.00 177.93 177.63 3g5p h GLU 157 N 0.26 0.85 -0.48 5.26 4.39 -0.86 -2.26 114.58 121.74 3g5p h GLU 157 Ca 0.08 -0.49 -0.05 0.00 0.34 0.00 0.00 59.36 59.24 3g5p h GLU 157 Cb 0.31 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3g5p h GLU 157 CO 0.00 1.13 0.09 0.52 -1.16 0.00 0.00 179.01 179.60 3g5p h MET 158 N 0.67 0.73 -0.99 2.33 2.86 -0.72 -1.83 114.93 117.98 3g5p h MET 158 Ca 0.03 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3g5p h MET 158 Cb 1.06 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.56 3g5p h MET 158 CO 0.11 0.68 0.66 -0.44 1.06 0.00 0.00 176.91 178.97 3g5p h ASP 159 N 0.70 1.14 -0.16 1.22 3.32 -0.76 -1.49 116.42 120.39 3g5p h ASP 159 Ca 0.15 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3g5p h ASP 159 Cb 0.29 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3g5p h ASP 159 CO 0.00 0.82 0.07 0.45 -1.72 0.00 0.00 179.24 178.86 3g5p h HIS 160 N 1.34 0.28 0.00 4.55 3.86 -0.74 0.11 115.15 124.55 3g5p h HIS 160 Ca 0.36 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 3g5p h HIS 160 Cb -0.16 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.22 3g5p h HIS 160 CO 0.00 0.25 0.00 -0.07 0.86 0.00 0.00 177.93 178.97 3g5p h LEU 161 N 0.29 0.00 -1.14 2.43 3.38 -0.98 -2.52 115.31 116.77 3g5p h LEU 161 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3g5p h LEU 161 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3g5p h LEU 161 CO -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.44 3g5p n GLN 162 N -2.99 1.67 -0.58 1.13 1.13 -0.33 -1.17 117.38 116.24 3g5p n GLN 162 Ca 0.02 -1.14 0.00 0.00 -1.94 0.00 0.00 57.00 53.94 3g5p n GLN 162 Cb 0.40 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.28 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 1.27 0.65 3.47 1.08 0.00 -0.68 -4.49 105.19 106.48 3g5p n GLY 163 Ca 0.16 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 0.33 3.29 0.55 0.00 1.43 -1.26 -3.12 118.68 119.89 3g5p s LEU 165 Ca -0.05 -0.52 0.22 0.00 -1.03 0.00 0.00 54.13 52.75 3g5p s LEU 165 Cb -0.14 -1.86 1.51 0.00 0.03 0.00 0.00 46.19 45.72 3g5p s LEU 165 CO 0.04 0.03 2.18 2.19 0.23 0.00 0.00 176.35 181.01 3g5p h PHE 166 N 2.15 0.00 0.00 0.29 -5.15 -1.95 0.34 116.94 112.63 3g5p h PHE 166 Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 3g5p h PHE 166 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.40 3g5p h PHE 166 CO 0.65 0.00 0.00 0.44 -2.00 0.00 0.00 178.31 177.40 3g5p n ILE 167 N -4.22 1.44 0.77 0.88 -5.35 -1.26 -1.27 119.36 110.34 3g5p n ILE 167 Ca -0.02 0.36 0.12 0.00 -0.27 0.00 0.00 62.75 62.94 3g5p n ILE 167 Cb 0.13 -1.23 0.27 0.00 -1.74 0.00 0.00 39.64 37.08 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 -1.49 0.56 0.00 7.28 8.00 0.11 -4.16 116.55 126.84 3g5p n ASP 168 Ca 0.02 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3g5p n ASP 168 Cb 0.09 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 -1.85 3.30 -1.35 -1.24 5.02 -0.40 -5.07 118.16 116.57 3g5p n LYS 169 Ca 0.05 -0.09 -0.31 0.00 -2.02 0.00 0.00 58.31 55.94 3g5p n LYS 169 Cb 0.39 -0.46 0.08 0.00 -0.02 0.00 0.00 35.03 35.02 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 -0.50 2.44 -0.71 1.97 0.23 -0.49 -4.45 119.30 117.80 3g5p s MET 170 Ca 0.00 1.12 -0.25 0.00 -1.03 0.00 0.00 55.69 55.53 3g5p s MET 170 Cb 0.00 -1.92 0.05 0.00 -1.53 0.00 0.00 34.83 31.42 3g5p s MET 170 CO 0.00 -1.50 1.15 0.34 -2.03 0.00 0.00 175.02 172.99 3g5p s ASP 171 N -3.48 6.17 0.59 -1.18 -1.08 0.27 -4.91 116.67 113.04 3g5p s ASP 171 Ca 0.60 -0.66 0.29 0.00 -0.52 0.00 0.00 52.55 52.26 3g5p s ASP 171 Cb -0.16 -2.50 1.76 0.00 -1.46 0.00 0.00 42.92 40.56 3g5p s ASP 171 CO 0.55 -1.68 2.21 0.77 0.52 0.00 0.00 175.17 177.55 3g5p h SER 172 N 9.84 0.00 0.52 -0.34 4.64 -1.93 -0.66 113.55 125.62 3g5p h SER 172 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3g5p h SER 172 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3g5p h SER 172 CO 1.24 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.74 3g5p n ARG 173 N -3.86 0.03 -0.16 4.77 1.74 -1.26 -2.17 116.66 115.74 3g5p n ARG 173 Ca -0.02 0.21 0.11 0.00 -0.77 0.00 0.00 57.85 57.38 3g5p n ARG 173 Cb 0.14 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.28 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 -1.47 0.46 -2.03 0.55 -2.24 -0.25 -4.97 114.28 104.32 3g5p n THR 174 Ca 0.04 -0.73 -0.41 0.00 -2.27 0.00 0.00 64.05 60.68 3g5p n THR 174 Cb 0.18 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.47 3.02 -0.06 4.78 5.36 -0.92 -4.42 117.98 124.26 3g5p s PHE 175 Ca 0.36 1.11 -0.19 0.00 -0.96 0.00 0.00 56.93 57.24 3g5p s PHE 175 Cb 0.21 -3.79 0.04 0.00 -0.34 0.00 0.00 43.02 39.14 3g5p s PHE 175 CO 0.30 -2.50 0.44 -0.08 -1.46 0.00 0.00 175.22 171.92 3g5p s THR 176 N -0.24 0.03 0.62 0.12 -1.32 -0.10 -4.99 115.64 109.76 3g5p s THR 176 Ca 0.57 -0.24 -0.18 0.00 -1.21 0.00 0.00 61.69 60.63 3g5p s THR 176 Cb -0.41 -0.72 -0.02 0.00 -1.51 0.00 0.00 72.50 69.83 3g5p s THR 176 CO 0.45 -0.13 1.20 0.20 -2.21 0.00 0.00 174.62 174.13 3g5p s ASN 177 N -0.91 5.02 0.55 8.08 0.01 -1.26 -1.41 114.94 125.02 3g5p s ASN 177 Ca -0.10 2.36 0.33 0.00 -0.71 0.00 0.00 52.86 54.74 3g5p s ASN 177 Cb -0.03 -2.59 1.40 0.00 0.41 0.00 0.00 41.25 40.43 3g5p s ASN 177 CO 0.05 -1.70 2.00 -0.37 -1.51 0.00 0.00 177.10 175.56 3g5p h VAL 178 N 0.64 0.09 0.00 1.60 -1.51 -1.43 -2.03 116.25 113.60 3g5p h VAL 178 Ca -0.50 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 3g5p h VAL 178 Cb 1.29 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.95 3g5p h VAL 178 CO 0.54 0.03 0.00 0.00 -1.23 0.00 0.00 177.57 176.91 3g5p n TYR 179 N -3.15 0.00 -4.59 5.19 4.11 -1.26 -4.63 117.16 112.83 3g5p n TYR 179 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 57.56 3g5p n TYR 179 Cb 0.30 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.52 3g5p n TYR 179 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 3g5p s TRP 180 N -2.00 2.94 0.11 -3.48 0.52 -0.77 -5.12 118.94 111.15 3g5p s TRP 180 Ca 0.45 -0.10 -0.20 0.00 0.02 0.00 0.00 56.10 56.27 3g5p s TRP 180 Cb 0.21 -1.77 0.05 0.00 -1.15 0.00 0.00 33.47 30.80 3g5p s TRP 180 CO 0.35 0.21 0.49 0.00 0.02 0.00 0.00 176.95 178.01 3g5p s MET 181 N -0.47 1.11 0.17 4.98 0.23 -1.26 -4.80 119.30 119.26 3g5p s MET 181 Ca 0.07 -0.49 -0.19 0.00 -1.03 0.00 0.00 55.69 54.05 3g5p s MET 181 Cb -0.12 0.50 -0.08 0.00 -1.53 0.00 0.00 34.83 33.60 3g5p s MET 181 CO 0.02 -0.44 0.65 0.21 -2.03 0.00 0.00 175.02 173.43 3g5p s LYS 182 N -3.33 4.20 0.08 3.16 2.20 -1.26 -5.07 119.74 119.72 3g5p s LYS 182 Ca -0.00 0.77 0.01 0.00 -0.36 0.00 0.00 55.97 56.39 3g5p s LYS 182 Cb 0.00 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 3g5p s LYS 182 CO -0.09 0.48 -0.06 0.14 -0.36 0.00 0.00 175.35 175.46 3g5p s VAL 183 N -1.39 0.57 0.13 4.02 -7.23 -1.26 -5.15 120.40 110.09 3g5p s VAL 183 Ca 0.38 -1.75 -0.25 0.00 -1.81 0.00 0.00 61.98 58.55 3g5p s VAL 183 Cb -0.17 -1.45 -0.07 0.00 0.56 0.00 0.00 36.38 35.25 3g5p s VAL 183 CO 0.21 -0.81 0.78 0.20 -0.31 0.00 0.00 175.10 175.16 3g5p s ASN 184 N -2.75 7.34 0.00 4.85 0.01 -1.26 -5.37 114.94 117.76 3g5p s ASN 184 Ca 0.07 1.59 0.29 0.00 -0.71 0.00 0.00 52.86 54.09 3g5p s ASN 184 Cb 0.03 -2.49 1.73 0.00 0.41 0.00 0.00 41.25 40.92 3g5p s ASN 184 CO -0.05 0.15 2.06 0.47 -1.51 0.00 0.00 177.10 178.22