#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 1.86 0.16 1.57 1.00 -1.26 -5.11 119.30 117.52 3g5p s MET 4 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 55.69 54.81 3g5p s MET 4 Cb 0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 34.83 32.44 3g5p s MET 4 CO 0.00 -0.45 0.23 -1.54 0.00 0.00 0.00 175.02 173.26 3g5p s SER 5 N 1.44 0.10 0.12 3.03 1.04 -1.26 -5.17 113.70 113.01 3g5p s SER 5 Ca -0.02 -0.95 0.06 0.00 0.48 0.00 0.00 55.95 55.53 3g5p s SER 5 Cb -0.16 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 3g5p s SER 5 CO -0.08 -0.85 -0.04 -0.36 0.98 0.00 0.00 173.24 172.89 3g5p s PHE 6 N -3.99 2.85 0.10 5.02 0.08 -1.26 -5.13 117.98 115.65 3g5p s PHE 6 Ca 0.19 -0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.16 3g5p s PHE 6 Cb 0.04 -1.45 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 3g5p s PHE 6 CO 0.00 0.48 -0.09 -1.12 -0.10 0.00 0.00 175.22 174.39 3g5p s SER 7 N -2.49 1.38 0.00 1.36 0.01 -1.26 -5.16 113.70 107.54 3g5p s SER 7 Ca 0.25 -0.85 -0.03 0.00 1.31 0.00 0.00 55.95 56.63 3g5p s SER 7 Cb -0.11 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 3g5p s SER 7 CO 0.17 -0.31 0.04 -1.38 0.41 0.00 0.00 173.24 172.17 3g5p s HIS 8 N -2.69 0.11 -0.28 2.43 -3.43 -1.26 -5.12 115.29 105.05 3g5p s HIS 8 Ca 0.07 -0.22 -0.22 0.00 -0.80 0.00 0.00 55.06 53.89 3g5p s HIS 8 Cb -0.01 -0.09 -0.01 0.00 -1.43 0.00 0.00 32.58 31.04 3g5p s HIS 8 CO -0.01 -0.17 0.69 0.08 -2.00 0.00 0.00 174.74 173.33 3g5p s VAL 9 N -1.03 4.91 0.46 -5.38 1.01 -1.26 -4.56 120.40 114.55 3g5p s VAL 9 Ca -0.11 1.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.74 3g5p s VAL 9 Cb -0.07 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 3g5p s VAL 9 CO 0.00 -0.10 1.43 0.00 0.00 0.00 0.00 175.10 176.43 3g5p s GLN 11 N -2.48 2.58 0.25 0.00 -1.52 -1.26 -4.35 119.66 112.87 3g5p s GLN 11 Ca 0.62 -1.29 -0.31 0.00 -1.95 0.00 0.00 55.36 52.43 3g5p s GLN 11 Cb -0.45 -2.34 -0.12 0.00 -0.22 0.00 0.00 33.01 29.89 3g5p s GLN 11 CO 0.57 0.33 1.68 0.54 -0.25 0.00 0.00 175.29 178.15 3g5p s VAL 12 N -2.26 2.02 0.00 1.09 0.11 0.37 -1.63 120.40 120.10 3g5p s VAL 12 Ca 0.33 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 3g5p s VAL 12 Cb -0.06 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 3g5p s VAL 12 CO 0.23 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.61 3g5p n GLY 13 N 3.22 2.14 3.67 6.54 0.00 -1.26 -5.08 105.19 114.41 3g5p n GLY 13 Ca 0.13 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.36 6.69 0.33 1.61 -1.08 -0.65 -4.88 116.67 118.34 3g5p s ASP 14 Ca 0.00 2.25 0.25 0.00 -0.52 0.00 0.00 52.55 54.52 3g5p s ASP 14 Cb 0.00 -2.54 1.20 0.00 -1.46 0.00 0.00 42.92 40.12 3g5p s ASP 14 CO 0.00 -0.89 1.75 1.55 0.52 0.00 0.00 175.17 178.10 3g5p h PRO 15 N 9.09 0.00 -0.25 4.34 0.13 -1.98 -1.60 132.00 141.74 3g5p h PRO 15 Ca -0.39 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.80 3g5p h PRO 15 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3g5p h PRO 15 CO 0.94 0.00 0.18 -0.24 -0.23 0.00 0.00 178.00 178.65 3g5p h VAL 16 N 0.00 0.90 0.00 1.56 3.04 -1.92 -1.39 116.25 118.44 3g5p h VAL 16 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 3g5p h VAL 16 Cb 0.16 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 3g5p h VAL 16 CO 0.00 0.01 0.00 0.18 -1.01 0.00 0.00 177.57 176.75 3g5p n LEU 17 N -4.47 0.72 -0.46 3.16 4.77 -0.60 -3.28 117.00 116.83 3g5p n LEU 17 Ca 0.03 0.59 0.06 0.00 -0.03 0.00 0.00 56.01 56.66 3g5p n LEU 17 Cb 0.29 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 3g5p n LEU 17 CO 0.35 -0.24 0.40 0.54 -1.33 0.00 0.00 177.39 177.11 3g5p n ARG 18 N -2.19 1.07 -1.81 3.23 3.00 -0.56 -4.17 116.66 115.23 3g5p n ARG 18 Ca 0.05 -1.13 -0.29 0.00 -0.01 0.00 0.00 57.85 56.47 3g5p n ARG 18 Cb 0.38 -1.23 0.10 0.00 0.00 0.00 0.00 32.46 31.71 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 -1.19 1.59 -0.29 -0.13 0.00 -1.02 -4.63 107.32 101.65 3g5p s GLY 19 Ca 0.14 -0.59 -0.10 0.00 0.00 0.00 0.00 44.72 44.18 3g5p s GLY 19 CO 0.20 -0.09 0.15 0.14 0.00 0.00 0.00 173.10 173.50 3g5p s VAL 20 N -3.49 4.84 0.39 1.40 1.01 -1.26 -2.44 120.40 120.85 3g5p s VAL 20 Ca 0.62 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 62.18 3g5p s VAL 20 Cb -0.12 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 3g5p s VAL 20 CO 0.50 0.18 1.41 0.00 0.00 0.00 0.00 175.10 177.19 3g5p s ALA 21 N 1.67 3.42 0.46 5.51 0.00 -0.54 -4.98 121.76 127.30 3g5p s ALA 21 Ca 0.06 1.43 -0.20 0.00 0.00 0.00 0.00 51.96 53.25 3g5p s ALA 21 Cb -0.16 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.30 3g5p s ALA 21 CO 0.08 -0.98 0.98 0.00 0.00 0.00 0.00 175.76 175.84 3g5p s ALA 22 N -1.17 3.00 0.65 0.00 0.00 -0.25 -4.63 121.76 119.37 3g5p s ALA 22 Ca 0.55 0.40 -0.15 0.00 0.00 0.00 0.00 51.96 52.76 3g5p s ALA 22 Cb -0.43 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.52 3g5p s ALA 22 CO 0.57 -0.06 1.10 -1.25 0.00 0.00 0.00 175.76 176.13 3g5p s PRO 23 N -3.37 2.85 -0.14 0.00 0.04 -1.26 -0.98 135.00 132.13 3g5p s PRO 23 Ca 0.63 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 3g5p s PRO 23 Cb -0.11 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 3g5p s PRO 23 CO 0.18 -1.21 1.17 0.08 0.04 0.00 0.00 177.00 177.26 3g5p s VAL 24 N -2.38 4.42 0.48 -0.36 1.01 -1.26 -4.79 120.40 117.52 3g5p s VAL 24 Ca 0.66 1.72 -0.22 0.00 0.00 0.00 0.00 61.98 64.14 3g5p s VAL 24 Cb -0.20 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 3g5p s VAL 24 CO 0.41 -0.09 1.18 -1.61 0.00 0.00 0.00 175.10 175.00 3g5p s GLU 25 N 2.90 3.61 0.27 2.72 0.41 -1.26 -4.94 118.70 122.41 3g5p s GLU 25 Ca 0.52 1.80 -0.02 0.00 -0.41 0.00 0.00 54.97 56.86 3g5p s GLU 25 Cb -0.21 -2.32 0.57 0.00 -1.78 0.00 0.00 34.13 30.39 3g5p s GLU 25 CO 0.15 -0.68 1.41 0.54 -0.49 0.00 0.00 175.26 176.19 3g5p n ARG 26 N -0.69 -0.08 0.29 1.61 1.74 -1.26 -0.70 116.66 117.58 3g5p n ARG 26 Ca 0.08 1.37 0.16 0.00 -0.77 0.00 0.00 57.85 58.70 3g5p n ARG 26 Cb 0.48 -2.12 0.90 0.00 -1.02 0.00 0.00 32.46 30.69 3g5p n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g5p h ALA 27 N 1.80 1.25 0.00 7.54 0.00 -2.04 -2.30 119.26 125.51 3g5p h ALA 27 Ca 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3g5p h ALA 27 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3g5p h ALA 27 CO -0.88 0.06 -0.85 1.96 0.00 0.00 0.00 179.25 179.54 3g5p h GLN 28 N 0.00 0.00 -6.81 0.00 7.50 -1.28 -3.44 115.11 111.07 3g5p h GLN 28 Ca -0.00 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.60 3g5p h GLN 28 Cb 0.18 0.00 0.10 0.00 0.05 0.00 0.00 27.48 27.81 3g5p h GLN 28 CO 0.01 0.00 0.71 1.28 -1.50 0.00 0.00 178.83 179.33 3g5p n LEU 29 N -2.69 4.17 0.00 1.46 4.77 -0.87 -1.17 117.00 122.67 3g5p n LEU 29 Ca 0.01 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 3g5p n LEU 29 Cb 0.54 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 3g5p n LEU 29 CO 0.39 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3g5p n GLY 30 N 1.15 0.63 3.88 -0.72 0.00 0.33 -4.93 105.19 105.53 3g5p n GLY 30 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 1.62 0.23 -0.02 0.00 -0.32 -4.94 107.32 101.89 3g5p s GLY 31 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 44.72 44.35 3g5p s GLY 31 CO 0.00 -0.01 1.75 -0.56 0.00 0.00 0.00 173.10 174.28 3g5p h PRO 32 N -0.39 1.03 -0.26 2.90 0.13 -1.95 -1.31 132.00 132.15 3g5p h PRO 32 Ca -0.45 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 64.43 3g5p h PRO 32 Cb 1.23 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3g5p h PRO 32 CO 0.63 0.92 0.12 1.49 -0.23 0.00 0.00 178.00 180.93 3g5p h GLU 33 N 0.98 0.37 -0.91 0.86 4.81 -1.96 -0.23 114.58 118.51 3g5p h GLU 33 Ca 0.20 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3g5p h GLU 33 Cb 0.37 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 3g5p h GLU 33 CO 0.00 0.37 0.60 1.25 -0.73 0.00 0.00 179.01 180.51 3g5p h LEU 34 N 0.28 1.02 -1.11 1.64 5.85 -1.79 -1.90 115.31 119.30 3g5p h LEU 34 Ca 0.09 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3g5p h LEU 34 Cb 0.13 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3g5p h LEU 34 CO -0.01 0.73 0.39 -0.61 -0.34 0.00 0.00 178.44 178.60 3g5p h GLN 35 N 1.20 1.01 -0.64 1.25 4.15 -0.83 -0.29 115.11 120.96 3g5p h GLN 35 Ca 0.34 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.59 3g5p h GLN 35 Cb -0.10 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.36 3g5p h GLN 35 CO -0.09 0.75 0.15 0.00 -1.93 0.00 0.00 178.83 177.72 3g5p h ARG 36 N 1.02 1.01 -0.03 1.69 3.08 -0.63 -1.02 114.38 119.49 3g5p h ARG 36 Ca 0.26 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3g5p h ARG 36 Cb 0.03 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3g5p h ARG 36 CO -0.04 0.89 -0.01 1.25 -1.07 0.00 0.00 179.97 180.99 3g5p h LEU 37 N 0.96 0.07 -1.17 3.04 5.85 -0.72 -1.66 115.31 121.69 3g5p h LEU 37 Ca 0.20 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 3g5p h LEU 37 Cb 0.34 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3g5p h LEU 37 CO 0.00 0.45 -0.05 0.71 -0.34 0.00 0.00 178.44 179.21 3g5p h THR 38 N -0.31 1.21 -0.51 1.05 1.35 -0.97 -1.13 112.91 113.60 3g5p h THR 38 Ca 0.01 -0.88 -0.08 0.00 -0.55 0.00 0.00 66.41 64.91 3g5p h THR 38 Cb 0.42 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 3g5p h THR 38 CO 0.00 0.30 0.02 1.56 -0.25 0.00 0.00 175.52 177.15 3g5p h GLN 39 N 0.49 0.88 -0.34 4.72 1.08 -1.05 -1.42 115.11 119.47 3g5p h GLN 39 Ca 0.10 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 3g5p h GLN 39 Cb 0.40 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 3g5p h GLN 39 CO 0.02 0.90 0.17 -0.09 -0.95 0.00 0.00 178.83 178.88 3g5p h ARG 40 N 0.75 0.49 -0.43 1.46 9.65 -1.02 -1.10 114.38 124.18 3g5p h ARG 40 Ca 0.15 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 3g5p h ARG 40 Cb 0.49 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 3g5p h ARG 40 CO 0.02 0.44 0.25 1.25 2.80 0.00 0.00 179.97 184.73 3g5p h LEU 41 N 0.42 0.53 -0.96 3.80 5.85 -1.03 -1.12 115.31 122.79 3g5p h LEU 41 Ca 0.12 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 3g5p h LEU 41 Cb 0.11 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3g5p h LEU 41 CO -0.02 0.44 -0.19 0.58 -0.34 0.00 0.00 178.44 178.92 3g5p h VAL 42 N 0.56 1.25 -0.60 1.05 2.07 -1.10 -1.12 116.25 118.36 3g5p h VAL 42 Ca 0.15 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 3g5p h VAL 42 Cb 0.02 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3g5p h VAL 42 CO -0.03 0.38 0.21 -0.61 0.02 0.00 0.00 177.57 177.54 3g5p h GLN 43 N 0.48 0.92 -0.29 1.57 4.15 -0.85 0.45 115.11 121.54 3g5p h GLN 43 Ca 0.08 -0.19 -0.06 0.00 0.77 0.00 0.00 58.65 59.26 3g5p h GLN 43 Cb 0.60 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 3g5p h GLN 43 CO 0.04 0.81 -0.04 0.28 -1.93 0.00 0.00 178.83 177.99 3g5p h VAL 44 N 0.85 1.27 -0.78 2.39 2.07 -1.09 0.05 116.25 121.00 3g5p h VAL 44 Ca 0.20 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.73 3g5p h VAL 44 Cb 0.26 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3g5p h VAL 44 CO -0.01 0.33 0.49 -0.03 0.02 0.00 0.00 177.57 178.37 3g5p h MET 45 N 0.30 0.93 -0.24 1.57 1.85 -1.01 -1.28 114.93 117.06 3g5p h MET 45 Ca 0.08 -0.06 -0.14 0.00 -0.61 0.00 0.00 59.70 58.97 3g5p h MET 45 Cb 0.49 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.31 3g5p h MET 45 CO 0.02 0.61 -0.44 0.00 -0.40 0.00 0.00 176.91 176.70 3g5p h ARG 46 N 0.96 0.60 -0.80 0.39 3.08 -0.68 -1.89 114.38 116.04 3g5p h ARG 46 Ca 0.31 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3g5p h ARG 46 Cb 0.03 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 3g5p h ARG 46 CO -0.12 0.92 0.33 -0.09 -1.07 0.00 0.00 179.97 179.95 3g5p h ARG 47 N 0.48 1.18 -0.00 0.04 9.65 -0.67 -2.86 114.38 122.21 3g5p h ARG 47 Ca 0.03 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3g5p h ARG 47 Cb 0.97 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 3g5p h ARG 47 CO 0.09 0.94 -0.12 0.54 2.80 0.00 0.00 179.97 184.22 3g5p n ARG 48 N -4.30 0.20 -3.58 0.20 5.12 -0.51 -4.92 116.66 108.86 3g5p n ARG 48 Ca 0.07 -0.05 -0.27 0.00 -1.93 0.00 0.00 57.85 55.68 3g5p n ARG 48 Cb 0.17 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 29.99 3g5p n ARG 48 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3g5p n ARG 49 N -1.36 -4.56 -3.48 5.56 1.74 -0.74 -4.98 116.66 108.85 3g5p n ARG 49 Ca 0.09 0.59 -0.35 0.00 -0.77 0.00 0.00 57.85 57.42 3g5p n ARG 49 Cb 0.31 -5.41 -0.06 0.00 -1.02 0.00 0.00 32.46 26.29 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 2.84 0.30 -3.95 0.00 2.07 -1.88 -3.44 116.25 112.19 3g5p h VAL 51 Ca -0.49 -1.10 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 3g5p h VAL 51 Cb 1.19 1.87 -0.14 0.00 -1.52 0.00 0.00 31.29 32.69 3g5p h VAL 51 CO 0.66 0.14 -0.45 -0.83 0.02 0.00 0.00 177.57 177.11 3g5p s GLY 52 N -4.26 0.26 -0.17 2.17 0.00 -1.26 -0.41 107.32 103.64 3g5p s GLY 52 Ca 0.03 -0.82 -0.28 0.00 0.00 0.00 0.00 44.72 43.65 3g5p s GLY 52 CO 0.64 -0.95 0.77 -2.27 0.00 0.00 0.00 173.10 171.28 3g5p s LEU 53 N -2.89 -0.63 0.20 0.66 2.96 -0.46 -5.00 118.68 113.52 3g5p s LEU 53 Ca 0.07 0.96 0.11 0.00 -0.22 0.00 0.00 54.13 55.05 3g5p s LEU 53 Cb 0.06 2.36 -0.04 0.00 0.50 0.00 0.00 46.19 49.06 3g5p s LEU 53 CO -0.09 -0.40 -0.21 -0.94 -1.32 0.00 0.00 176.35 173.39 3g5p s SER 54 N -0.46 3.60 0.39 3.68 1.04 -1.26 -0.41 113.70 120.28 3g5p s SER 54 Ca -0.04 -0.83 0.06 0.00 0.48 0.00 0.00 55.95 55.61 3g5p s SER 54 Cb -0.02 -0.34 0.79 0.00 0.10 0.00 0.00 66.02 66.54 3g5p s SER 54 CO 0.04 0.11 2.04 0.00 0.98 0.00 0.00 173.24 176.41 3g5p h ALA 55 N 3.06 1.65 -0.27 5.32 0.00 -1.19 -1.44 119.26 126.39 3g5p h ALA 55 Ca -0.46 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.48 3g5p h ALA 55 Cb 1.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3g5p h ALA 55 CO 0.50 0.32 0.19 -1.35 0.00 0.00 0.00 179.25 178.91 3g5p h PRO 56 N 0.65 0.08 0.00 0.00 0.11 -1.55 -0.06 132.00 131.21 3g5p h PRO 56 Ca 0.17 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3g5p h PRO 56 Cb -0.07 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3g5p h PRO 56 CO -0.04 0.05 0.00 1.96 -0.21 0.00 0.00 178.00 179.76 3g5p h GLN 57 N 0.08 0.00 -0.64 1.05 4.20 -1.55 -0.42 115.11 117.83 3g5p h GLN 57 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3g5p h GLN 57 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3g5p h GLN 57 CO -0.01 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.43 3g5p n LEU 58 N -2.85 4.76 0.00 1.46 4.77 -0.13 -0.24 117.00 124.77 3g5p n LEU 58 Ca 0.01 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.58 3g5p n LEU 58 Cb 0.30 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3g5p n LEU 58 CO 0.26 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3g5p n GLY 59 N 0.70 0.72 3.10 -0.72 0.00 -0.17 -4.96 105.19 103.87 3g5p n GLY 59 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.38 2.49 -1.42 1.61 1.01 -0.66 -4.97 120.40 116.08 3g5p s VAL 60 Ca 0.00 -1.63 -0.09 0.00 0.00 0.00 0.00 61.98 60.25 3g5p s VAL 60 Cb 0.00 -2.50 0.06 0.00 0.00 0.00 0.00 36.38 33.94 3g5p s VAL 60 CO 0.00 -0.13 2.38 -0.81 0.00 0.00 0.00 175.10 176.54 3g5p n PRO 61 N 4.48 3.78 -4.18 2.72 -0.04 -1.26 -1.74 135.00 138.76 3g5p n PRO 61 Ca -0.12 -2.98 -0.16 0.00 -0.04 0.00 0.00 63.50 60.21 3g5p n PRO 61 Cb 0.42 -2.88 -0.11 0.00 -0.04 0.00 0.00 33.50 30.90 3g5p n PRO 61 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3g5p s ARG 62 N 0.95 0.87 -1.27 0.54 0.52 -1.26 -1.09 118.95 118.21 3g5p s ARG 62 Ca 0.53 -1.13 -0.15 0.00 -0.52 0.00 0.00 55.73 54.46 3g5p s ARG 62 Cb 0.15 -0.64 0.13 0.00 0.52 0.00 0.00 34.95 35.11 3g5p s ARG 62 CO -0.06 0.11 1.65 1.04 0.02 0.00 0.00 175.30 178.07 3g5p n GLN 63 N 0.69 3.30 -3.75 3.54 6.02 -0.15 -4.44 117.38 122.58 3g5p n GLN 63 Ca -0.17 -3.52 -0.14 0.00 -0.01 0.00 0.00 57.00 53.16 3g5p n GLN 63 Cb 0.57 -3.21 -0.15 0.00 1.02 0.00 0.00 30.24 28.47 3g5p n GLN 63 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3g5p s VAL 64 N 2.50 -0.06 0.09 5.09 1.01 -1.26 -0.55 120.40 127.21 3g5p s VAL 64 Ca 0.47 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.67 3g5p s VAL 64 Cb 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 3g5p s VAL 64 CO 0.02 0.09 -0.06 -1.48 0.00 0.00 0.00 175.10 173.67 3g5p s LEU 65 N 1.19 2.50 0.03 3.92 0.05 -0.53 -0.79 118.68 125.05 3g5p s LEU 65 Ca -0.08 -1.00 0.01 0.00 0.05 0.00 0.00 54.13 53.11 3g5p s LEU 65 Cb -0.12 -0.02 -0.02 0.00 -2.05 0.00 0.00 46.19 43.97 3g5p s LEU 65 CO -0.05 -0.49 -0.06 0.00 -0.55 0.00 0.00 176.35 175.21 3g5p s ALA 66 N -3.64 0.41 -0.01 1.48 0.00 0.45 -0.83 121.76 119.62 3g5p s ALA 66 Ca 0.11 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 3g5p s ALA 66 Cb 0.06 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.24 3g5p s ALA 66 CO -0.06 -0.05 0.02 -0.51 0.00 0.00 0.00 175.76 175.16 3g5p s LEU 67 N -1.37 1.93 -0.28 0.00 1.43 0.17 -1.35 118.68 119.20 3g5p s LEU 67 Ca -0.10 0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.84 3g5p s LEU 67 Cb -0.09 0.06 0.10 0.00 0.03 0.00 0.00 46.19 46.30 3g5p s LEU 67 CO -0.00 -0.01 0.84 -0.70 0.23 0.00 0.00 176.35 176.71 3g5p s GLU 68 N 0.01 0.61 -0.38 1.70 2.12 0.45 -0.93 118.70 122.28 3g5p s GLU 68 Ca -0.00 0.90 0.01 0.00 0.36 0.00 0.00 54.97 56.24 3g5p s GLU 68 Cb -0.00 0.20 0.13 0.00 0.26 0.00 0.00 34.13 34.72 3g5p s GLU 68 CO 0.00 -0.10 0.20 -1.17 -0.54 0.00 0.00 175.26 173.65 3g5p s LEU 69 N 1.01 1.94 0.76 2.70 2.96 -0.27 -4.46 118.68 123.32 3g5p s LEU 69 Ca -0.05 -2.25 -0.11 0.00 -0.22 0.00 0.00 54.13 51.50 3g5p s LEU 69 Cb -0.05 -0.76 0.05 0.00 0.50 0.00 0.00 46.19 45.94 3g5p s LEU 69 CO -0.12 -0.31 1.10 -2.84 -1.32 0.00 0.00 176.35 172.86 3g5p s PRO 70 N 0.89 2.25 0.23 0.98 0.02 -1.26 -1.15 135.00 136.95 3g5p s PRO 70 Ca 0.16 1.25 -0.08 0.00 0.02 0.00 0.00 61.00 62.35 3g5p s PRO 70 Cb -0.22 -1.89 0.24 0.00 0.02 0.00 0.00 34.50 32.65 3g5p s PRO 70 CO -0.05 -1.66 1.87 1.49 -0.33 0.00 0.00 177.00 178.32 3g5p h GLU 71 N -0.98 1.01 -0.48 5.54 4.81 -1.96 -1.47 114.58 121.06 3g5p h GLU 71 Ca -0.44 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.74 3g5p h GLU 71 Cb 1.24 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3g5p h GLU 71 CO 0.51 0.67 0.31 0.00 -0.73 0.00 0.00 179.01 179.77 3g5p h ALA 72 N 1.34 0.60 -0.48 2.92 0.00 -1.98 0.91 119.26 122.57 3g5p h ALA 72 Ca 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3g5p h ALA 72 Cb -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3g5p h ALA 72 CO -0.11 0.04 0.24 1.25 0.00 0.00 0.00 179.25 180.68 3g5p h LEU 73 N 0.64 0.62 -0.78 0.00 5.85 -1.87 -1.95 115.31 117.81 3g5p h LEU 73 Ca 0.18 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3g5p h LEU 73 Cb -0.06 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 3g5p h LEU 73 CO -0.04 0.56 0.47 0.00 -0.34 0.00 0.00 178.44 179.08 3g5p n ARG 75 N -4.69 0.04 0.25 0.00 1.74 0.26 -2.05 116.66 112.21 3g5p n ARG 75 Ca 0.11 0.26 0.12 0.00 -0.77 0.00 0.00 57.85 57.56 3g5p n ARG 75 Cb 0.18 -1.57 0.64 0.00 -1.02 0.00 0.00 32.46 30.69 3g5p n ARG 75 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3g5p h GLU 76 N 0.00 0.00 -6.30 5.56 5.08 -0.81 -3.42 114.58 114.70 3g5p h GLU 76 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3g5p h GLU 76 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3g5p h GLU 76 CO 0.00 0.15 0.36 0.00 -1.00 0.00 0.00 179.01 178.52 3g5p n PRO 78 N 4.16 2.04 -0.10 0.00 -0.04 -1.26 -4.64 135.00 135.15 3g5p n PRO 78 Ca 0.05 0.72 0.08 0.00 -0.04 0.00 0.00 63.50 64.31 3g5p n PRO 78 Cb 0.51 -2.47 0.42 0.00 -0.04 0.00 0.00 33.50 31.92 3g5p n PRO 78 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3g5p h PRO 79 N 2.15 0.57 -0.31 0.54 0.11 -1.95 -0.36 132.00 132.74 3g5p h PRO 79 Ca -0.49 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3g5p h PRO 79 Cb 1.29 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3g5p h PRO 79 CO 0.60 0.37 0.09 -0.09 -0.21 0.00 0.00 178.00 178.77 3g5p h ARG 80 N 0.58 0.49 -0.31 1.05 2.43 -1.99 -0.21 114.38 116.42 3g5p h ARG 80 Ca 0.26 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 3g5p h ARG 80 Cb 0.28 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3g5p h ARG 80 CO -0.08 0.55 -0.26 1.96 -1.51 0.00 0.00 179.97 180.63 3g5p h GLN 81 N 0.35 0.61 -0.51 0.20 4.20 -1.65 -1.04 115.11 117.26 3g5p h GLN 81 Ca 0.10 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 3g5p h GLN 81 Cb 0.26 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3g5p h GLN 81 CO -0.00 0.81 0.21 -0.09 -0.67 0.00 0.00 178.83 179.08 3g5p h ARG 82 N 0.53 0.76 -0.26 1.46 2.43 -0.89 -0.91 114.38 117.50 3g5p h ARG 82 Ca 0.07 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3g5p h ARG 82 Cb 0.72 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3g5p h ARG 82 CO 0.06 0.67 0.01 0.00 -1.51 0.00 0.00 179.97 179.20 3g5p h ALA 83 N 1.05 0.35 -0.95 2.80 0.00 -0.95 -0.94 119.26 120.62 3g5p h ALA 83 Ca 0.17 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3g5p h ALA 83 Cb 0.19 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 3g5p h ALA 83 CO -0.01 0.07 0.62 -0.07 0.00 0.00 0.00 179.25 179.85 3g5p h LEU 84 N 0.24 1.04 -0.32 0.00 3.38 -0.99 -2.34 115.31 116.32 3g5p h LEU 84 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3g5p h LEU 84 Cb 0.39 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3g5p h LEU 84 CO 0.01 0.72 -0.06 0.54 0.09 0.00 0.00 178.44 179.74 3g5p n ARG 85 N -4.47 0.96 -3.75 1.13 1.74 -0.36 -4.95 116.66 106.95 3g5p n ARG 85 Ca 0.12 -0.32 -0.29 0.00 -0.77 0.00 0.00 57.85 56.60 3g5p n ARG 85 Cb 0.08 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.06 3g5p n ARG 85 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3g5p n GLN 86 N -0.74 -2.11 -3.57 5.56 7.27 -0.67 -2.19 117.38 120.94 3g5p n GLN 86 Ca 0.18 0.46 -0.40 0.00 0.07 0.00 0.00 57.00 57.31 3g5p n GLN 86 Cb 0.25 -4.33 -0.11 0.00 2.41 0.00 0.00 30.24 28.47 3g5p n GLN 86 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 3g5p s MET 87 N -6.13 3.56 0.06 3.69 1.75 -0.45 -1.98 119.30 119.80 3g5p s MET 87 Ca 0.31 -0.59 0.04 0.00 -1.25 0.00 0.00 55.69 54.19 3g5p s MET 87 Cb -0.11 -3.73 -0.03 0.00 2.84 0.00 0.00 34.83 33.80 3g5p s MET 87 CO 0.86 -0.39 -0.11 -1.21 -0.65 0.00 0.00 175.02 173.53 3g5p s GLU 88 N 1.71 0.68 0.76 4.11 2.02 -1.26 -4.81 118.70 121.91 3g5p s GLU 88 Ca 0.06 -0.88 -0.12 0.00 0.02 0.00 0.00 54.97 54.05 3g5p s GLU 88 Cb -0.17 -0.55 0.05 0.00 0.10 0.00 0.00 34.13 33.56 3g5p s GLU 88 CO 0.10 0.11 1.11 -1.25 0.02 0.00 0.00 175.26 175.35 3g5p s PRO 89 N -1.74 2.21 -0.11 0.39 0.04 -1.26 -4.87 135.00 129.66 3g5p s PRO 89 Ca -0.05 1.33 -0.24 0.00 0.04 0.00 0.00 61.00 62.08 3g5p s PRO 89 Cb -0.10 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.62 3g5p s PRO 89 CO 0.01 -1.70 0.57 -0.59 0.04 0.00 0.00 177.00 175.33 3g5p s PHE 90 N -2.64 -0.56 0.77 0.56 -0.71 -0.30 -4.98 117.98 110.12 3g5p s PHE 90 Ca 0.65 1.12 -0.11 0.00 -1.04 0.00 0.00 56.93 57.54 3g5p s PHE 90 Cb -0.20 0.28 0.05 0.00 -1.21 0.00 0.00 43.02 41.94 3g5p s PHE 90 CO 0.52 -0.46 1.09 -1.25 -1.34 0.00 0.00 175.22 173.78 3g5p s PRO 91 N -0.67 2.29 0.16 1.99 0.04 -1.26 -1.11 135.00 136.44 3g5p s PRO 91 Ca -0.08 0.75 -0.34 0.00 0.04 0.00 0.00 61.00 61.38 3g5p s PRO 91 Cb -0.03 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.44 3g5p s PRO 91 CO 0.05 -1.50 1.56 -0.11 0.04 0.00 0.00 177.00 177.04 3g5p n LEU 92 N -3.37 3.01 -4.09 -3.56 7.94 -1.26 -4.64 117.00 111.03 3g5p n LEU 92 Ca 0.07 1.09 -0.24 0.00 -1.11 0.00 0.00 56.01 55.82 3g5p n LEU 92 Cb 0.55 -1.41 -0.16 0.00 0.53 0.00 0.00 43.42 42.93 3g5p n LEU 92 CO 0.56 -0.34 -0.48 -0.13 -1.11 0.00 0.00 177.39 175.89 3g5p s ARG 93 N 0.83 1.49 -0.16 1.96 1.81 -0.10 -5.00 118.95 119.78 3g5p s ARG 93 Ca 0.79 -0.51 -0.00 0.00 -1.72 0.00 0.00 55.73 54.28 3g5p s ARG 93 Cb -0.69 -1.32 -0.01 0.00 -0.45 0.00 0.00 34.95 32.48 3g5p s ARG 93 CO 0.39 0.21 -0.13 0.08 -0.68 0.00 0.00 175.30 175.17 3g5p s VAL 94 N 0.05 2.84 -0.04 3.52 1.01 -1.26 -0.66 120.40 125.85 3g5p s VAL 94 Ca -0.03 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3g5p s VAL 94 Cb -0.10 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3g5p s VAL 94 CO 0.01 0.51 -0.17 -0.36 0.00 0.00 0.00 175.10 175.09 3g5p s PHE 95 N 0.79 2.63 -0.07 5.22 0.40 -0.01 -4.36 117.98 122.59 3g5p s PHE 95 Ca -0.05 -0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.11 3g5p s PHE 95 Cb -0.15 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.76 3g5p s PHE 95 CO 0.01 0.14 -0.23 0.08 0.70 0.00 0.00 175.22 175.91 3g5p s VAL 96 N -0.69 2.22 -1.49 -0.44 1.01 0.74 -1.45 120.40 120.29 3g5p s VAL 96 Ca 0.11 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 3g5p s VAL 96 Cb -0.11 -1.83 0.05 0.00 0.00 0.00 0.00 36.38 34.49 3g5p s VAL 96 CO 0.00 0.57 0.56 0.59 0.00 0.00 0.00 175.10 176.82 3g5p n ASN 97 N 3.04 -1.45 -4.79 3.32 3.02 0.28 -1.27 115.26 117.42 3g5p n ASN 97 Ca -0.18 -0.99 -0.32 0.00 -0.03 0.00 0.00 54.58 53.06 3g5p n ASN 97 Cb 0.52 -3.05 0.04 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 -6.65 2.98 0.16 3.52 0.04 -1.26 -4.65 135.00 129.15 3g5p s PRO 98 Ca 0.25 1.23 0.07 0.00 0.04 0.00 0.00 61.00 62.59 3g5p s PRO 98 Cb -0.13 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3g5p s PRO 98 CO 0.89 -1.08 -0.16 -1.54 0.04 0.00 0.00 177.00 175.15 3g5p s SER 99 N -2.92 2.45 -0.05 6.66 1.04 0.50 -4.97 113.70 116.41 3g5p s SER 99 Ca 0.64 -0.89 0.06 0.00 0.48 0.00 0.00 55.95 56.23 3g5p s SER 99 Cb -0.17 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 3g5p s SER 99 CO 0.43 -0.11 -0.22 -0.22 0.98 0.00 0.00 173.24 174.11 3g5p s LEU 100 N -2.79 2.01 -0.06 2.42 0.20 -1.26 -1.01 118.68 118.19 3g5p s LEU 100 Ca 0.16 -0.44 0.04 0.00 0.69 0.00 0.00 54.13 54.58 3g5p s LEU 100 Cb -0.04 -1.19 -0.00 0.00 -0.43 0.00 0.00 46.19 44.53 3g5p s LEU 100 CO 0.06 0.22 -0.18 -0.60 -0.29 0.00 0.00 176.35 175.55 3g5p s ARG 101 N -0.15 2.04 -0.12 1.98 3.52 -0.44 -4.99 118.95 120.79 3g5p s ARG 101 Ca -0.02 -0.66 -0.25 0.00 -0.13 0.00 0.00 55.73 54.68 3g5p s ARG 101 Cb -0.12 -1.71 -0.02 0.00 -1.56 0.00 0.00 34.95 31.53 3g5p s ARG 101 CO 0.02 0.22 0.80 0.08 -0.81 0.00 0.00 175.30 175.62 3g5p s VAL 102 N 0.14 4.93 -0.12 7.11 1.01 -1.26 -0.15 120.40 132.06 3g5p s VAL 102 Ca -0.07 1.60 0.17 0.00 0.00 0.00 0.00 61.98 63.68 3g5p s VAL 102 Cb -0.13 -4.12 -0.25 0.00 0.00 0.00 0.00 36.38 31.88 3g5p s VAL 102 CO 0.03 0.11 0.20 0.18 0.00 0.00 0.00 175.10 175.62 3g5p n LEU 103 N 4.68 0.00 -3.63 3.92 4.77 0.03 -4.88 117.00 121.89 3g5p n LEU 103 Ca 0.03 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.76 3g5p n LEU 103 Cb 0.50 0.28 -0.17 0.00 -2.33 0.00 0.00 43.42 41.70 3g5p n LEU 103 CO 0.48 0.28 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.87 3g5p s ASP 104 N -4.87 1.99 0.00 -1.43 -1.08 -0.65 -4.96 116.67 105.67 3g5p s ASP 104 Ca -0.08 -0.41 0.21 0.00 -0.52 0.00 0.00 52.55 51.75 3g5p s ASP 104 Cb 0.08 -0.20 0.76 0.00 -1.46 0.00 0.00 42.92 42.10 3g5p s ASP 104 CO 0.77 -0.32 1.56 -1.54 0.52 0.00 0.00 175.17 176.15 3g5p n SER 105 N 5.29 1.70 -4.66 -0.34 3.41 -1.26 -2.64 113.62 115.11 3g5p n SER 105 Ca -0.06 -1.70 -0.46 0.00 -0.26 0.00 0.00 58.87 56.39 3g5p n SER 105 Cb 0.49 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.34 2.01 -3.47 4.33 0.63 -1.26 -4.74 116.66 114.51 3g5p n ARG 106 Ca 0.16 0.72 -0.38 0.00 -0.92 0.00 0.00 57.85 57.44 3g5p n ARG 106 Cb 0.34 -2.44 -0.06 0.00 0.45 0.00 0.00 32.46 30.75 3g5p n ARG 106 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3g5p s LEU 107 N 0.62 4.47 -0.06 6.15 1.43 -1.26 -0.82 118.68 129.22 3g5p s LEU 107 Ca 0.76 0.99 0.04 0.00 -1.03 0.00 0.00 54.13 54.89 3g5p s LEU 107 Cb -0.70 -2.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.90 3g5p s LEU 107 CO 0.42 0.30 -0.19 -0.69 0.23 0.00 0.00 176.35 176.43 3g5p s VAL 108 N -0.99 1.59 -0.11 -1.59 1.01 -0.03 -4.90 120.40 115.37 3g5p s VAL 108 Ca 0.24 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.47 3g5p s VAL 108 Cb -0.17 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3g5p s VAL 108 CO 0.14 0.45 -0.22 -0.89 0.00 0.00 0.00 175.10 174.58 3g5p s THR 109 N 0.16 1.96 0.12 3.92 2.01 -1.26 -0.89 115.64 121.65 3g5p s THR 109 Ca -0.08 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 60.91 3g5p s THR 109 Cb -0.14 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 3g5p s THR 109 CO 0.04 0.54 0.18 -0.36 -0.69 0.00 0.00 174.62 174.32 3g5p s PHE 110 N 0.55 0.39 0.34 4.92 0.08 -1.23 -4.92 117.98 118.11 3g5p s PHE 110 Ca -0.14 -0.80 -0.29 0.00 0.12 0.00 0.00 56.93 55.82 3g5p s PHE 110 Cb -0.17 -0.16 -0.11 0.00 -0.57 0.00 0.00 43.02 42.01 3g5p s PHE 110 CO 0.05 -0.58 1.41 -2.14 -0.10 0.00 0.00 175.22 173.85 3g5p s PRO 111 N -3.93 4.24 0.05 0.24 0.02 -1.26 -1.55 135.00 132.81 3g5p s PRO 111 Ca 0.12 2.38 0.02 0.00 0.02 0.00 0.00 61.00 63.54 3g5p s PRO 111 Cb 0.05 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 3g5p s PRO 111 CO -0.05 -0.37 -0.07 -2.00 -0.33 0.00 0.00 177.00 174.18 3g5p s GLU 112 N -1.69 0.58 0.07 5.54 2.12 0.28 -4.90 118.70 120.70 3g5p s GLU 112 Ca 0.52 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.96 3g5p s GLU 112 Cb -0.43 -0.21 -0.00 0.00 0.26 0.00 0.00 34.13 33.75 3g5p s GLU 112 CO 0.56 0.02 0.01 0.41 -0.54 0.00 0.00 175.26 175.71 3g5p n GLY 113 N 1.07 4.06 3.50 -1.50 0.00 -1.26 -1.31 105.19 109.74 3g5p n GLY 113 Ca -0.20 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.60 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 6.86 0.00 -0.15 0.00 4.39 -1.96 -0.54 114.58 123.17 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 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3g5p h GLU 115 CO 0.20 0.01 0.00 0.43 -1.16 0.00 0.00 179.01 178.49 3g5p n SER 116 N -3.54 1.59 -3.12 1.42 7.64 -1.26 -3.85 113.62 112.50 3g5p n SER 116 Ca -0.03 -1.68 -0.22 0.00 1.01 0.00 0.00 58.87 57.95 3g5p n SER 116 Cb 0.09 -0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.27 0.95 -1.67 0.44 0.31 -0.22 -0.47 118.33 117.94 3g5p n VAL 117 Ca 0.16 -4.90 -0.46 0.00 -0.01 0.00 0.00 64.34 59.13 3g5p n VAL 117 Cb 0.32 -0.81 -0.04 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.20 1.22 -0.16 3.52 0.00 -1.20 -3.07 120.51 121.02 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 0.55 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 3.17 0.77 3.24 0.00 0.00 -1.26 -5.07 105.19 106.04 3g5p n GLY 119 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.14 1.56 0.14 1.61 0.08 -1.17 -1.17 117.98 116.88 3g5p s PHE 120 Ca 0.00 -0.43 0.07 0.00 0.12 0.00 0.00 56.93 56.69 3g5p s PHE 120 Cb 0.00 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 3g5p s PHE 120 CO 0.00 0.14 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.59 3g5p s LEU 121 N -1.77 2.41 0.03 -0.37 1.43 -0.42 -4.30 118.68 115.69 3g5p s LEU 121 Ca 0.03 -0.82 -0.19 0.00 -1.03 0.00 0.00 54.13 52.13 3g5p s LEU 121 Cb -0.10 -0.68 0.04 0.00 0.03 0.00 0.00 46.19 45.48 3g5p s LEU 121 CO 0.03 -0.09 0.42 0.00 0.23 0.00 0.00 176.35 176.95 3g5p s ALA 122 N -2.02 -1.04 0.24 4.21 0.00 -0.43 -0.76 121.76 121.96 3g5p s ALA 122 Ca 0.11 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 3g5p s ALA 122 Cb -0.06 0.31 -0.09 0.00 0.00 0.00 0.00 23.12 23.28 3g5p s ALA 122 CO 0.04 -0.44 1.31 0.00 0.00 0.00 0.00 175.76 176.68 3g5p s VAL 124 N -0.26 0.24 0.25 0.00 1.01 -0.60 -1.10 120.40 119.95 3g5p s VAL 124 Ca 0.54 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 3g5p s VAL 124 Cb -0.37 -0.35 -0.09 0.00 0.00 0.00 0.00 36.38 35.57 3g5p s VAL 124 CO 0.42 0.18 1.09 -2.16 0.00 0.00 0.00 175.10 174.62 3g5p s PRO 125 N 1.24 4.65 0.07 2.72 0.05 -1.26 -3.51 135.00 138.96 3g5p s PRO 125 Ca -0.07 1.75 0.01 0.00 0.05 0.00 0.00 61.00 62.75 3g5p s PRO 125 Cb -0.13 -3.22 -0.03 0.00 0.05 0.00 0.00 34.50 31.16 3g5p s PRO 125 CO -0.02 0.20 -0.06 1.03 0.05 0.00 0.00 177.00 178.20 3g5p s ARG 126 N -1.10 0.65 0.52 4.56 1.81 -0.07 -4.90 118.95 120.42 3g5p s ARG 126 Ca 0.46 -1.09 -0.21 0.00 -1.72 0.00 0.00 55.73 53.16 3g5p s ARG 126 Cb -0.31 -0.10 -0.06 0.00 -0.45 0.00 0.00 34.95 34.03 3g5p s ARG 126 CO 0.38 -0.02 1.19 -0.06 -0.68 0.00 0.00 175.30 176.11 3g5p s PHE 127 N -2.90 2.66 0.32 -0.53 2.99 -1.26 -0.85 117.98 118.40 3g5p s PHE 127 Ca 0.02 1.51 0.10 0.00 0.00 0.00 0.00 56.93 58.57 3g5p s PHE 127 Cb 0.00 -3.43 0.52 0.00 0.00 0.00 0.00 43.02 40.11 3g5p s PHE 127 CO -0.04 -1.84 1.71 0.37 -0.00 0.00 0.00 175.22 175.42 3g5p h GLN 128 N 1.55 0.05 -3.00 0.44 5.75 -0.79 -3.42 115.11 115.69 3g5p h GLN 128 Ca -0.50 -0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 57.82 3g5p h GLN 128 Cb 1.27 0.00 -0.25 0.00 1.07 0.00 0.00 27.48 29.56 3g5p h GLN 128 CO 0.58 0.52 -0.37 0.00 -2.65 0.00 0.00 178.83 176.91 3g5p s ALA 129 N -3.95 -0.74 0.13 3.38 0.00 -1.08 -1.07 121.76 118.43 3g5p s ALA 129 Ca -0.03 0.87 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 3g5p s ALA 129 Cb 0.13 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 3g5p s ALA 129 CO 0.75 -0.15 0.09 0.14 0.00 0.00 0.00 175.76 176.60 3g5p s VAL 130 N 0.25 0.10 -0.13 0.00 -7.23 -0.18 -0.79 120.40 112.42 3g5p s VAL 130 Ca -0.01 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.37 3g5p s VAL 130 Cb -0.03 -2.00 0.01 0.00 0.56 0.00 0.00 36.38 34.92 3g5p s VAL 130 CO -0.00 -0.45 -0.22 -1.58 -0.31 0.00 0.00 175.10 172.53 3g5p s GLN 131 N -4.03 3.01 -0.20 4.82 0.74 0.79 -1.24 119.66 123.55 3g5p s GLN 131 Ca 0.23 -0.86 -0.07 0.00 0.05 0.00 0.00 55.36 54.71 3g5p s GLN 131 Cb 0.07 -2.38 -0.04 0.00 1.10 0.00 0.00 33.01 31.76 3g5p s GLN 131 CO 0.01 0.04 0.06 -1.50 -0.55 0.00 0.00 175.29 173.35 3g5p s ILE 132 N 0.67 4.58 -0.09 -2.34 2.07 -0.30 -1.33 121.20 124.46 3g5p s ILE 132 Ca -0.11 -0.10 0.04 0.00 -1.41 0.00 0.00 60.65 59.07 3g5p s ILE 132 Cb -0.16 -3.08 -0.01 0.00 0.13 0.00 0.00 42.46 39.34 3g5p s ILE 132 CO 0.01 0.42 -0.22 -0.44 -1.91 0.00 0.00 174.94 172.81 3g5p s SER 133 N 0.74 3.29 0.00 4.50 0.01 -0.18 -0.50 113.70 121.56 3g5p s SER 133 Ca 0.03 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.80 3g5p s SER 133 Cb -0.13 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.84 3g5p s SER 133 CO 0.02 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.47 3g5p n GLY 134 N 3.30 1.49 3.87 3.44 0.00 -0.01 -0.37 105.19 116.91 3g5p n GLY 134 Ca -0.18 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 4.19 0.83 0.99 1.43 -0.40 -0.34 118.68 125.38 3g5p s LEU 135 Ca 0.00 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 3g5p s LEU 135 Cb 0.00 -2.66 0.09 0.00 0.03 0.00 0.00 46.19 43.65 3g5p s LEU 135 CO 0.00 0.22 1.17 1.51 0.23 0.00 0.00 176.35 179.48 3g5p s ASP 136 N -2.19 4.33 0.37 2.29 1.47 0.21 -0.19 116.67 122.96 3g5p s ASP 136 Ca 0.30 0.82 0.25 0.00 1.18 0.00 0.00 52.55 55.10 3g5p s ASP 136 Cb -0.13 -1.33 1.33 0.00 -0.34 0.00 0.00 42.92 42.46 3g5p s ASP 136 CO 0.22 -2.02 1.77 -0.65 0.68 0.00 0.00 175.17 175.17 3g5p h PRO 137 N -1.14 0.00 -0.08 2.11 0.11 -1.90 -0.61 132.00 130.49 3g5p h PRO 137 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3g5p h PRO 137 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3g5p h PRO 137 CO 0.65 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.53 3g5p n ASN 138 N -2.38 1.71 0.00 -2.05 3.02 -1.26 -0.52 115.26 113.78 3g5p n ASN 138 Ca -0.01 -1.62 0.00 0.00 -0.03 0.00 0.00 54.58 52.92 3g5p n ASN 138 Cb 0.06 -0.04 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 1.18 0.73 3.77 7.41 0.00 -0.24 -4.56 105.19 113.48 3g5p n GLY 139 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3g5p n GLY 139 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g5p s GLU 140 N -0.53 4.57 -0.07 1.61 2.12 -1.26 -4.75 118.70 120.40 3g5p s GLU 140 Ca 0.00 1.55 -0.30 0.00 0.36 0.00 0.00 54.97 56.58 3g5p s GLU 140 Cb 0.00 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.39 3g5p s GLU 140 CO 0.00 0.23 1.15 -0.65 -0.54 0.00 0.00 175.26 175.45 3g5p s GLN 141 N -1.76 4.37 -0.04 4.30 -0.21 -1.26 -0.62 119.66 124.43 3g5p s GLN 141 Ca 0.48 1.61 0.03 0.00 0.02 0.00 0.00 55.36 57.50 3g5p s GLN 141 Cb -0.25 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.21 3g5p s GLN 141 CO 0.32 -0.41 -0.14 0.08 -2.12 0.00 0.00 175.29 173.02 3g5p s VAL 142 N 2.15 1.16 -0.10 1.09 1.01 0.54 -4.94 120.40 121.32 3g5p s VAL 142 Ca 0.54 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3g5p s VAL 142 Cb -0.23 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.13 3g5p s VAL 142 CO 0.21 0.35 -0.19 -0.69 0.00 0.00 0.00 175.10 174.77 3g5p s VAL 143 N 0.22 1.73 -0.17 2.92 1.01 -1.26 -0.83 120.40 124.02 3g5p s VAL 143 Ca -0.06 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3g5p s VAL 143 Cb -0.11 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.77 3g5p s VAL 143 CO 0.02 0.49 -0.14 0.86 0.00 0.00 0.00 175.10 176.33 3g5p s TRP 144 N 0.57 2.40 -0.24 5.22 -0.00 0.34 -4.99 118.94 122.24 3g5p s TRP 144 Ca -0.15 -1.45 -0.18 0.00 -0.00 0.00 0.00 56.10 54.32 3g5p s TRP 144 Cb -0.17 -1.69 -0.03 0.00 -0.00 0.00 0.00 33.47 31.59 3g5p s TRP 144 CO 0.05 -0.73 0.52 -1.14 -0.00 0.00 0.00 176.95 175.66 3g5p s GLN 145 N 1.41 4.10 0.03 5.86 0.74 -1.26 -1.15 119.66 129.39 3g5p s GLN 145 Ca 0.03 0.36 0.03 0.00 0.05 0.00 0.00 55.36 55.83 3g5p s GLN 145 Cb -0.14 -3.63 -0.02 0.00 1.10 0.00 0.00 33.01 30.32 3g5p s GLN 145 CO -0.10 -0.30 -0.10 0.00 -0.55 0.00 0.00 175.29 174.23 3g5p s ALA 146 N 2.14 0.82 0.33 1.58 0.00 -0.37 -5.02 121.76 121.24 3g5p s ALA 146 Ca 0.22 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.54 3g5p s ALA 146 Cb -0.16 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.81 3g5p s ALA 146 CO 0.09 0.11 0.03 -1.54 0.00 0.00 0.00 175.76 174.45 3g5p s SER 147 N -1.11 2.72 0.81 0.00 1.04 -1.26 -1.01 113.70 114.88 3g5p s SER 147 Ca -0.02 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.07 3g5p s SER 147 Cb -0.07 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.89 3g5p s SER 147 CO 0.01 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.31 3g5p n GLY 148 N -0.71 2.50 0.31 7.32 0.00 -0.23 -2.93 105.19 111.45 3g5p n GLY 148 Ca -0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.49 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 0.92 -1.00 1.61 2.91 -0.90 -1.90 115.95 117.59 3g5p h TRP 149 Ca 0.00 -0.07 0.04 0.00 1.13 0.00 0.00 58.89 59.99 3g5p h TRP 149 Cb 0.00 -0.27 -0.06 0.00 -0.51 0.00 0.00 29.16 28.32 3g5p h TRP 149 CO 0.00 0.73 0.65 0.00 -1.03 0.00 0.00 178.44 178.79 3g5p h ALA 150 N 1.34 1.33 -0.40 2.65 0.00 -1.76 -1.25 119.26 121.18 3g5p h ALA 150 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3g5p h ALA 150 Cb 0.23 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3g5p h ALA 150 CO -0.01 0.53 0.10 0.00 0.00 0.00 0.00 179.25 179.87 3g5p h ALA 151 N 1.41 1.43 -0.03 0.00 0.00 -1.24 -0.90 119.26 119.93 3g5p h ALA 151 Ca 0.40 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3g5p h ALA 151 Cb 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3g5p h ALA 151 CO -0.13 0.42 0.01 -0.09 0.00 0.00 0.00 179.25 179.46 3g5p h ARG 152 N 0.57 0.05 -0.68 0.00 2.43 -0.69 -0.78 114.38 115.28 3g5p h ARG 152 Ca 0.13 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3g5p h ARG 152 Cb 0.22 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3g5p h ARG 152 CO -0.00 0.24 0.30 0.82 -1.51 0.00 0.00 179.97 179.81 3g5p h ILE 153 N -0.14 1.23 -0.60 1.20 1.08 -0.98 -0.72 117.51 118.58 3g5p h ILE 153 Ca 0.01 -0.69 0.04 0.00 -0.39 0.00 0.00 64.86 63.83 3g5p h ILE 153 Cb 0.20 0.43 -0.05 0.00 -3.07 0.00 0.00 36.82 34.34 3g5p h ILE 153 CO -0.00 0.28 0.34 0.40 -0.69 0.00 0.00 178.15 178.48 3g5p h ILE 154 N 0.95 1.00 -0.59 -0.67 2.04 -1.02 -0.80 117.51 118.42 3g5p h ILE 154 Ca 0.23 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 3g5p h ILE 154 Cb 0.16 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 3g5p h ILE 154 CO -0.02 0.12 0.22 1.56 0.00 0.00 0.00 178.15 180.02 3g5p h GLN 155 N 0.64 0.89 -0.51 2.37 4.20 -0.65 -0.50 115.11 121.55 3g5p h GLN 155 Ca 0.26 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3g5p h GLN 155 Cb 0.11 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3g5p h GLN 155 CO -0.15 0.77 0.29 1.25 -0.67 0.00 0.00 178.83 180.33 3g5p h HIS 156 N 0.82 0.69 -0.35 2.96 2.76 -0.62 -0.60 115.15 120.81 3g5p h HIS 156 Ca 0.19 -0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.19 3g5p h HIS 156 Cb 0.22 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 3g5p h HIS 156 CO 0.01 0.50 -0.43 0.93 -1.30 0.00 0.00 177.93 177.64 3g5p h GLU 157 N 0.69 0.92 -0.53 5.26 4.39 -0.95 -2.24 114.58 122.12 3g5p h GLU 157 Ca 0.18 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 3g5p h GLU 157 Cb 0.02 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3g5p h GLU 157 CO -0.03 1.16 0.28 0.52 -1.16 0.00 0.00 179.01 179.79 3g5p h MET 158 N 0.73 0.72 -0.53 2.33 2.86 -0.99 -2.13 114.93 117.92 3g5p h MET 158 Ca 0.05 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 3g5p h MET 158 Cb 1.03 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 3g5p h MET 158 CO 0.10 0.54 0.03 -0.44 1.06 0.00 0.00 176.91 178.20 3g5p h ASP 159 N 0.73 0.84 -0.94 1.22 3.32 -0.83 -1.25 116.42 119.52 3g5p h ASP 159 Ca 0.19 -0.20 0.10 0.00 0.02 0.00 0.00 57.03 57.14 3g5p h ASP 159 Cb 0.03 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.28 3g5p h ASP 159 CO -0.03 0.88 0.60 0.45 -1.72 0.00 0.00 179.24 179.43 3g5p h HIS 160 N 0.82 1.03 0.00 4.55 3.86 -0.79 0.16 115.15 124.78 3g5p h HIS 160 Ca 0.16 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3g5p h HIS 160 Cb 0.44 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3g5p h HIS 160 CO 0.03 0.45 0.00 -0.07 0.86 0.00 0.00 177.93 179.20 3g5p h LEU 161 N 0.94 0.00 -2.45 2.43 3.38 -0.94 -2.51 115.31 116.16 3g5p h LEU 161 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3g5p h LEU 161 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3g5p h LEU 161 CO -0.20 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.33 3g5p n GLN 162 N -2.41 2.44 -0.81 1.13 1.13 0.45 -1.47 117.38 117.84 3g5p n GLN 162 Ca 0.02 -2.23 0.00 0.00 -1.94 0.00 0.00 57.00 52.86 3g5p n GLN 162 Cb 0.28 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.18 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 1.26 0.52 3.55 1.08 0.00 -0.74 -4.56 105.19 106.31 3g5p n GLY 163 Ca 0.18 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 0.12 3.26 0.47 0.00 1.43 -1.26 -3.29 118.68 119.41 3g5p s LEU 165 Ca 0.00 -0.71 0.25 0.00 -1.03 0.00 0.00 54.13 52.63 3g5p s LEU 165 Cb -0.13 -1.75 1.14 0.00 0.03 0.00 0.00 46.19 45.48 3g5p s LEU 165 CO 0.02 -0.20 1.93 2.19 0.23 0.00 0.00 176.35 180.53 3g5p h PHE 166 N 1.65 0.00 0.00 0.29 -5.15 -1.95 0.07 116.94 111.86 3g5p h PHE 166 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 3g5p h PHE 166 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 3g5p h PHE 166 CO 0.64 0.20 0.00 0.44 -2.00 0.00 0.00 178.31 177.59 3g5p n ILE 167 N -3.55 1.08 0.39 0.88 -5.35 -1.26 -1.52 119.36 110.02 3g5p n ILE 167 Ca -0.01 0.53 0.12 0.00 -0.27 0.00 0.00 62.75 63.12 3g5p n ILE 167 Cb 0.35 -1.49 0.28 0.00 -1.74 0.00 0.00 39.64 37.03 3g5p n ILE 167 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3g5p h ASP 168 N 0.00 0.00 0.00 7.28 3.32 -1.38 -3.36 116.42 122.28 3g5p h ASP 168 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g5p h ASP 168 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3g5p h ASP 168 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 3g5p n LYS 169 N -2.75 1.30 -1.45 3.56 5.02 -0.65 -5.07 118.16 118.12 3g5p n LYS 169 Ca 0.05 -0.29 -0.31 0.00 -2.02 0.00 0.00 58.31 55.74 3g5p n LYS 169 Cb 0.48 -0.76 0.07 0.00 -0.02 0.00 0.00 35.03 34.80 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 -0.27 2.66 -0.62 1.97 0.23 -0.58 -4.48 119.30 118.21 3g5p s MET 170 Ca 0.00 1.03 -0.28 0.00 -1.03 0.00 0.00 55.69 55.41 3g5p s MET 170 Cb 0.00 -1.95 0.02 0.00 -1.53 0.00 0.00 34.83 31.37 3g5p s MET 170 CO 0.00 -1.32 1.38 0.34 -2.03 0.00 0.00 175.02 173.39 3g5p s ASP 171 N -3.65 6.11 0.55 -1.18 -1.08 -0.26 -4.91 116.67 112.26 3g5p s ASP 171 Ca 0.59 0.05 0.34 0.00 -0.52 0.00 0.00 52.55 53.01 3g5p s ASP 171 Cb -0.15 -2.55 1.47 0.00 -1.46 0.00 0.00 42.92 40.23 3g5p s ASP 171 CO 0.55 -1.77 2.03 0.77 0.52 0.00 0.00 175.17 177.27 3g5p h SER 172 N 10.87 0.00 0.56 -0.34 4.64 -1.94 -0.65 113.55 126.69 3g5p h SER 172 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3g5p h SER 172 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3g5p h SER 172 CO 1.21 0.03 0.00 0.54 -0.87 0.00 0.00 176.83 177.74 3g5p n ARG 173 N -3.15 0.17 -0.17 4.77 1.74 -1.26 -2.26 116.66 116.50 3g5p n ARG 173 Ca -0.00 0.10 0.09 0.00 -0.77 0.00 0.00 57.85 57.28 3g5p n ARG 173 Cb 0.28 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.40 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 -1.38 0.58 -2.03 0.55 -2.24 -0.25 -4.97 114.28 104.53 3g5p n THR 174 Ca 0.08 -0.79 -0.42 0.00 -2.27 0.00 0.00 64.05 60.65 3g5p n THR 174 Cb 0.21 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.23 3.07 -0.09 4.78 5.36 -0.96 -4.38 117.98 124.54 3g5p s PHE 175 Ca 0.31 0.95 -0.14 0.00 -0.96 0.00 0.00 56.93 57.09 3g5p s PHE 175 Cb 0.18 -3.81 0.03 0.00 -0.34 0.00 0.00 43.02 39.08 3g5p s PHE 175 CO 0.25 -2.73 0.35 -0.08 -1.46 0.00 0.00 175.22 171.55 3g5p s THR 176 N 0.36 0.02 0.60 0.12 -1.32 0.06 -5.00 115.64 110.48 3g5p s THR 176 Ca 0.62 -0.17 -0.20 0.00 -1.21 0.00 0.00 61.69 60.74 3g5p s THR 176 Cb -0.41 -0.56 -0.03 0.00 -1.51 0.00 0.00 72.50 69.99 3g5p s THR 176 CO 0.39 -0.09 1.28 0.59 -2.21 0.00 0.00 174.62 174.58 3g5p n ASN 177 N 2.28 2.18 0.15 8.08 3.02 -1.26 -1.30 115.26 128.41 3g5p n ASN 177 Ca -0.16 0.89 0.13 0.00 -0.03 0.00 0.00 54.58 55.41 3g5p n ASN 177 Cb 0.57 -1.55 0.53 0.00 -0.61 0.00 0.00 39.78 38.72 3g5p n ASN 177 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3g5p h VAL 178 N 0.91 0.00 -0.07 2.41 -1.51 -1.50 -1.75 116.25 114.75 3g5p h VAL 178 Ca -0.51 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 3g5p h VAL 178 Cb 1.33 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 3g5p h VAL 178 CO 0.54 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.88 3g5p n TYR 179 N -2.37 0.08 -4.67 5.19 0.18 -1.26 -4.63 117.16 109.67 3g5p n TYR 179 Ca 0.02 -0.04 -0.33 0.00 1.88 0.00 0.00 57.90 59.42 3g5p n TYR 179 Cb 0.24 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.08 3g5p n TYR 179 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 3g5p s TRP 180 N -1.92 2.88 0.01 -3.48 0.52 -0.66 -5.12 118.94 111.17 3g5p s TRP 180 Ca 0.33 -0.19 -0.16 0.00 0.02 0.00 0.00 56.10 56.10 3g5p s TRP 180 Cb 0.16 -1.76 0.03 0.00 -1.15 0.00 0.00 33.47 30.75 3g5p s TRP 180 CO 0.26 0.14 0.34 0.00 0.02 0.00 0.00 176.95 177.72 3g5p s MET 181 N -0.39 0.76 0.09 4.98 0.23 -1.26 -4.82 119.30 118.89 3g5p s MET 181 Ca 0.05 -0.27 -0.23 0.00 -1.03 0.00 0.00 55.69 54.22 3g5p s MET 181 Cb -0.12 0.34 -0.07 0.00 -1.53 0.00 0.00 34.83 33.45 3g5p s MET 181 CO 0.02 -0.23 0.68 0.15 -2.03 0.00 0.00 175.02 173.62 3g5p s LYS 182 N -1.77 4.40 0.18 3.16 1.02 -1.26 -5.08 119.74 120.39 3g5p s LYS 182 Ca -0.10 0.95 0.02 0.00 0.02 0.00 0.00 55.97 56.86 3g5p s LYS 182 Cb -0.03 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 3g5p s LYS 182 CO 0.02 0.52 -0.01 0.14 -0.92 0.00 0.00 175.35 175.10 3g5p s VAL 183 N -0.84 0.78 -0.06 3.17 -7.23 -1.26 -5.14 120.40 109.82 3g5p s VAL 183 Ca 0.33 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.32 3g5p s VAL 183 Cb -0.21 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 3g5p s VAL 183 CO 0.22 -0.49 0.54 0.20 -0.31 0.00 0.00 175.10 175.26 3g5p s ASN 184 N -3.19 6.84 0.00 4.85 0.01 -1.26 -5.37 114.94 116.82 3g5p s ASN 184 Ca 0.24 1.00 0.30 0.00 -0.71 0.00 0.00 52.86 53.69 3g5p s ASN 184 Cb 0.06 -2.33 1.52 0.00 0.41 0.00 0.00 41.25 40.91 3g5p s ASN 184 CO 0.04 0.06 2.01 0.47 -1.51 0.00 0.00 177.10 178.17