#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5k s MET 4 N 0.00 2.17 0.25 -1.40 1.00 -1.26 -5.15 119.30 114.91 3g5k s MET 4 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 55.69 54.79 3g5k s MET 4 Cb 0.00 -2.07 -0.01 0.00 0.00 0.00 0.00 34.83 32.75 3g5k s MET 4 CO 0.00 0.55 0.07 -1.13 0.00 0.00 0.00 175.02 174.51 3g5k n SER 5 N 2.48 1.39 -4.52 3.03 3.41 -1.26 -5.16 113.62 113.00 3g5k n SER 5 Ca -0.16 -2.28 -0.32 0.00 -0.26 0.00 0.00 58.87 55.85 3g5k n SER 5 Cb 0.51 0.54 -0.12 0.00 -0.26 0.00 0.00 64.21 64.88 3g5k n SER 5 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3g5k s PHE 6 N -2.38 2.74 0.16 7.33 0.08 -1.26 -5.13 117.98 119.52 3g5k s PHE 6 Ca 0.10 -0.13 0.08 0.00 0.12 0.00 0.00 56.93 57.10 3g5k s PHE 6 Cb 0.00 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 3g5k s PHE 6 CO 0.07 0.28 -0.18 -1.12 -0.10 0.00 0.00 175.22 174.17 3g5k s SER 7 N -1.21 2.67 0.00 1.36 0.01 -1.26 -5.16 113.70 110.11 3g5k s SER 7 Ca 0.15 -0.85 -0.02 0.00 1.31 0.00 0.00 55.95 56.54 3g5k s SER 7 Cb -0.11 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 3g5k s SER 7 CO 0.05 -0.03 0.02 -1.38 0.41 0.00 0.00 173.24 172.31 3g5k s HIS 8 N -1.98 0.10 -0.25 2.43 -3.43 -1.26 -5.11 115.29 105.78 3g5k s HIS 8 Ca 0.15 -0.20 -0.19 0.00 -0.80 0.00 0.00 55.06 54.02 3g5k s HIS 8 Cb -0.06 -0.08 -0.02 0.00 -1.43 0.00 0.00 32.58 30.99 3g5k s HIS 8 CO 0.06 -0.13 0.59 0.08 -2.00 0.00 0.00 174.74 173.34 3g5k s VAL 9 N -0.79 5.02 0.45 -5.38 1.01 -1.26 -4.53 120.40 114.91 3g5k s VAL 9 Ca -0.09 1.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.68 3g5k s VAL 9 Cb -0.05 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 3g5k s VAL 9 CO -0.00 0.05 1.43 0.00 0.00 0.00 0.00 175.10 176.59 3g5k s GLN 11 N -2.43 2.70 0.21 0.00 -1.52 -1.26 -4.33 119.66 113.02 3g5k s GLN 11 Ca 0.61 -1.06 -0.32 0.00 -1.95 0.00 0.00 55.36 52.64 3g5k s GLN 11 Cb -0.45 -2.48 -0.12 0.00 -0.22 0.00 0.00 33.01 29.73 3g5k s GLN 11 CO 0.58 0.43 1.66 1.55 -0.25 0.00 0.00 175.29 179.26 3g5k n VAL 12 N -0.63 0.19 0.00 1.09 3.14 -0.05 -1.80 118.33 120.28 3g5k n VAL 12 Ca -0.08 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 3g5k n VAL 12 Cb 0.56 -1.85 0.00 0.00 -1.06 0.00 0.00 33.84 31.50 3g5k n VAL 12 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3g5k n GLY 13 N 3.49 1.62 3.67 7.55 0.00 -1.26 -5.08 105.19 115.17 3g5k n GLY 13 Ca 0.15 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 3g5k n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g5k s ASP 14 N -0.52 6.87 0.66 1.61 -1.08 -0.74 -4.88 116.67 118.58 3g5k s ASP 14 Ca 0.00 1.89 0.43 0.00 -0.52 0.00 0.00 52.55 54.35 3g5k s ASP 14 Cb 0.00 -2.54 2.35 0.00 -1.46 0.00 0.00 42.92 41.27 3g5k s ASP 14 CO 0.00 -0.78 2.35 1.55 0.52 0.00 0.00 175.17 178.81 3g5k h PRO 15 N 8.44 0.00 -0.22 4.34 0.13 -1.98 -1.64 132.00 141.06 3g5k h PRO 15 Ca -0.32 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.88 3g5k h PRO 15 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3g5k h PRO 15 CO 0.95 0.00 0.19 -0.24 -0.23 0.00 0.00 178.00 178.67 3g5k h VAL 16 N 0.00 0.71 -0.00 1.56 3.04 -1.92 -0.13 116.25 119.51 3g5k h VAL 16 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3g5k h VAL 16 Cb 0.03 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 3g5k h VAL 16 CO 0.00 0.00 -0.03 0.18 -1.01 0.00 0.00 177.57 176.71 3g5k n LEU 17 N -4.19 0.07 -0.12 3.16 4.77 -0.62 -3.41 117.00 116.66 3g5k n LEU 17 Ca 0.02 0.29 0.04 0.00 -0.03 0.00 0.00 56.01 56.33 3g5k n LEU 17 Cb 0.33 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3g5k n LEU 17 CO 0.32 0.01 0.13 0.54 -1.33 0.00 0.00 177.39 177.07 3g5k n ARG 18 N -1.30 2.92 -1.88 3.23 3.00 -0.10 -4.11 116.66 118.42 3g5k n ARG 18 Ca 0.12 -0.38 -0.29 0.00 -0.01 0.00 0.00 57.85 57.30 3g5k n ARG 18 Cb 0.27 -0.95 0.08 0.00 0.00 0.00 0.00 32.46 31.86 3g5k n ARG 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3g5k s GLY 19 N -1.27 1.60 -0.29 -0.13 0.00 -0.96 -4.52 107.32 101.74 3g5k s GLY 19 Ca 0.05 -0.58 -0.16 0.00 0.00 0.00 0.00 44.72 44.04 3g5k s GLY 19 CO 0.21 -0.11 0.40 0.14 0.00 0.00 0.00 173.10 173.75 3g5k s VAL 20 N -3.52 5.14 0.38 1.40 1.01 -1.26 -2.50 120.40 121.05 3g5k s VAL 20 Ca 0.61 0.47 -0.27 0.00 0.00 0.00 0.00 61.98 62.79 3g5k s VAL 20 Cb -0.11 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 3g5k s VAL 20 CO 0.50 0.06 1.36 0.00 0.00 0.00 0.00 175.10 177.01 3g5k s ALA 21 N 2.12 3.42 0.46 5.51 0.00 -0.51 -4.98 121.76 127.78 3g5k s ALA 21 Ca 0.15 1.35 -0.20 0.00 0.00 0.00 0.00 51.96 53.26 3g5k s ALA 21 Cb -0.16 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.34 3g5k s ALA 21 CO 0.11 -0.85 0.97 0.00 0.00 0.00 0.00 175.76 175.99 3g5k s ALA 22 N -1.18 3.03 0.71 0.00 0.00 -0.20 -4.64 121.76 119.48 3g5k s ALA 22 Ca 0.53 0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.69 3g5k s ALA 22 Cb -0.41 -3.15 0.03 0.00 0.00 0.00 0.00 23.12 19.59 3g5k s ALA 22 CO 0.54 -0.02 1.20 -1.25 0.00 0.00 0.00 175.76 176.23 3g5k s PRO 23 N -3.45 2.29 0.03 0.00 0.04 -1.26 -1.06 135.00 131.59 3g5k s PRO 23 Ca 0.61 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 63.08 3g5k s PRO 23 Cb -0.10 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 3g5k s PRO 23 CO 0.19 -1.71 1.17 0.08 0.04 0.00 0.00 177.00 176.77 3g5k s VAL 24 N -1.98 4.20 0.44 -0.36 1.01 -1.26 -4.78 120.40 117.66 3g5k s VAL 24 Ca 0.74 1.57 -0.22 0.00 0.00 0.00 0.00 61.98 64.06 3g5k s VAL 24 Cb -0.28 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 3g5k s VAL 24 CO 0.44 0.09 1.05 -1.61 0.00 0.00 0.00 175.10 175.07 3g5k s GLU 25 N 1.34 3.98 0.46 2.72 2.02 -1.26 -4.93 118.70 123.03 3g5k s GLU 25 Ca 0.57 1.47 0.13 0.00 0.02 0.00 0.00 54.97 57.16 3g5k s GLU 25 Cb -0.27 -2.35 1.06 0.00 0.10 0.00 0.00 34.13 32.67 3g5k s GLU 25 CO 0.27 -0.29 2.06 0.00 0.02 0.00 0.00 175.26 177.32 3g5k h ARG 26 N 2.08 0.13 -0.67 1.61 3.08 -1.98 0.49 114.38 119.11 3g5k h ARG 26 Ca -0.49 -0.01 0.19 0.00 0.07 0.00 0.00 59.98 59.74 3g5k h ARG 26 Cb 1.22 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 3g5k h ARG 26 CO 0.61 0.16 0.61 0.00 -1.07 0.00 0.00 179.97 180.28 3g5k h ALA 27 N 1.86 2.48 0.00 0.04 0.00 -2.04 -0.86 119.26 120.74 3g5k h ALA 27 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g5k h ALA 27 Cb 0.12 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3g5k h ALA 27 CO 0.00 -0.95 -0.66 1.04 0.00 0.00 0.00 179.25 178.68 3g5k n GLN 28 N -3.86 0.25 -1.87 0.00 1.13 0.16 -4.81 117.38 108.39 3g5k n GLN 28 Ca 0.13 0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.84 3g5k n GLN 28 Cb 0.85 -1.65 -0.02 0.00 0.11 0.00 0.00 30.24 29.54 3g5k n GLN 28 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3g5k s LEU 29 N -4.01 4.36 0.00 1.08 1.43 -0.33 -1.52 118.68 119.69 3g5k s LEU 29 Ca 0.07 2.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 3g5k s LEU 29 Cb 0.14 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.74 3g5k s LEU 29 CO 0.73 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 177.08 3g5k n GLY 30 N 2.48 1.42 3.89 -3.19 0.00 0.90 -4.94 105.19 105.75 3g5k n GLY 30 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3g5k n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g5k s GLY 31 N -2.00 1.62 0.33 -0.02 0.00 -0.57 -4.93 107.32 101.75 3g5k s GLY 31 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 44.72 44.34 3g5k s GLY 31 CO 0.00 -0.07 1.87 -0.56 0.00 0.00 0.00 173.10 174.35 3g5k h PRO 32 N -0.54 0.54 -0.07 2.90 0.13 -1.94 -2.09 132.00 130.93 3g5k h PRO 32 Ca -0.45 -0.11 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 3g5k h PRO 32 Cb 1.25 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3g5k h PRO 32 CO 0.63 0.56 -0.06 1.49 -0.23 0.00 0.00 178.00 180.39 3g5k h GLU 33 N 0.52 0.16 -0.83 0.86 4.81 -1.94 0.37 114.58 118.52 3g5k h GLU 33 Ca 0.11 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3g5k h GLU 33 Cb 0.32 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 3g5k h GLU 33 CO 0.01 0.59 0.55 1.25 -0.73 0.00 0.00 179.01 180.69 3g5k h LEU 34 N -0.27 0.95 -0.97 1.64 5.85 -1.79 -1.25 115.31 119.46 3g5k h LEU 34 Ca 0.01 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3g5k h LEU 34 Cb 0.56 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3g5k h LEU 34 CO 0.02 0.69 -0.14 -0.61 -0.34 0.00 0.00 178.44 178.05 3g5k h GLN 35 N 1.12 0.59 -0.44 1.25 4.15 -1.13 0.88 115.11 121.53 3g5k h GLN 35 Ca 0.31 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.42 3g5k h GLN 35 Cb -0.12 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 3g5k h GLN 35 CO -0.07 0.71 -0.20 -0.09 -1.93 0.00 0.00 178.83 177.25 3g5k h ARG 36 N 0.54 0.89 -0.15 1.69 2.43 -0.22 -0.90 114.38 118.65 3g5k h ARG 36 Ca 0.09 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.88 3g5k h ARG 36 Cb 0.55 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3g5k h ARG 36 CO 0.03 1.01 0.01 1.25 -1.51 0.00 0.00 179.97 180.76 3g5k h LEU 37 N 0.77 0.25 -0.94 3.80 5.85 -0.89 -1.33 115.31 122.82 3g5k h LEU 37 Ca 0.11 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 3g5k h LEU 37 Cb 0.75 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3g5k h LEU 37 CO 0.06 0.49 -0.06 0.71 -0.34 0.00 0.00 178.44 179.29 3g5k h THR 38 N 0.01 1.24 -0.66 1.05 1.35 -0.77 -0.73 112.91 114.41 3g5k h THR 38 Ca 0.04 -1.05 -0.08 0.00 -0.55 0.00 0.00 66.41 64.77 3g5k h THR 38 Cb 0.35 0.99 -0.03 0.00 -1.73 0.00 0.00 68.15 67.74 3g5k h THR 38 CO 0.01 0.36 0.08 -0.61 -0.25 0.00 0.00 175.52 175.11 3g5k h GLN 39 N 0.65 1.11 -0.57 4.72 4.15 -1.04 -1.28 115.11 122.85 3g5k h GLN 39 Ca 0.12 -0.31 -0.09 0.00 0.77 0.00 0.00 58.65 59.15 3g5k h GLN 39 Cb 0.50 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 3g5k h GLN 39 CO 0.03 1.03 0.02 -0.09 -1.93 0.00 0.00 178.83 177.88 3g5k h ARG 40 N 1.03 0.99 -0.48 1.69 9.65 -0.95 0.05 114.38 126.37 3g5k h ARG 40 Ca 0.20 -0.31 -0.02 0.00 -1.10 0.00 0.00 59.98 58.75 3g5k h ARG 40 Cb 0.47 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 3g5k h ARG 40 CO 0.02 0.98 0.22 -0.07 2.80 0.00 0.00 179.97 183.91 3g5k h LEU 41 N 0.88 0.64 -0.77 3.80 3.38 -0.91 -0.80 115.31 121.53 3g5k h LEU 41 Ca 0.16 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3g5k h LEU 41 Cb 0.52 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3g5k h LEU 41 CO 0.03 0.60 0.14 0.58 0.09 0.00 0.00 178.44 179.88 3g5k h VAL 42 N 0.63 1.26 -0.54 1.22 2.07 -1.06 -0.50 116.25 119.33 3g5k h VAL 42 Ca 0.16 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3g5k h VAL 42 Cb 0.15 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3g5k h VAL 42 CO -0.02 0.37 0.29 -0.61 0.02 0.00 0.00 177.57 177.63 3g5k h GLN 43 N 1.01 0.76 -0.19 1.57 4.15 -0.69 -0.89 115.11 120.82 3g5k h GLN 43 Ca 0.21 -0.09 -0.19 0.00 0.77 0.00 0.00 58.65 59.35 3g5k h GLN 43 Cb 0.39 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3g5k h GLN 43 CO 0.01 0.59 -0.64 0.28 -1.93 0.00 0.00 178.83 177.13 3g5k h VAL 44 N 0.72 1.30 -0.18 2.39 2.07 -0.96 -0.15 116.25 121.45 3g5k h VAL 44 Ca 0.19 -1.88 0.02 0.00 0.82 0.00 0.00 66.70 65.85 3g5k h VAL 44 Cb 0.05 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3g5k h VAL 44 CO -0.03 0.59 0.03 -0.03 0.02 0.00 0.00 177.57 178.15 3g5k h MET 45 N 0.50 0.09 -0.40 1.57 1.85 -0.97 -0.50 114.93 117.08 3g5k h MET 45 Ca -0.01 -0.01 -0.12 0.00 -0.61 0.00 0.00 59.70 58.95 3g5k h MET 45 Cb 1.23 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.22 3g5k h MET 45 CO 0.13 0.06 -0.23 0.00 -0.40 0.00 0.00 176.91 176.47 3g5k h ARG 46 N 0.10 0.81 -0.98 0.39 3.08 -0.98 -2.08 114.38 114.73 3g5k h ARG 46 Ca 0.08 -0.33 0.05 0.00 0.07 0.00 0.00 59.98 59.85 3g5k h ARG 46 Cb 0.08 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 3g5k h ARG 46 CO -0.12 0.96 0.63 0.00 -1.07 0.00 0.00 179.97 180.37 3g5k h ARG 47 N 0.71 1.15 -0.06 0.04 3.08 -0.61 -2.49 114.38 116.19 3g5k h ARG 47 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3g5k h ARG 47 Cb 0.75 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3g5k h ARG 47 CO 0.06 0.76 0.00 0.54 -1.07 0.00 0.00 179.97 180.26 3g5k n ARG 48 N -4.50 1.51 -3.40 0.04 5.12 -0.23 -4.92 116.66 110.28 3g5k n ARG 48 Ca 0.14 -0.75 -0.24 0.00 -1.93 0.00 0.00 57.85 55.07 3g5k n ARG 48 Cb 0.14 -1.43 0.06 0.00 -1.16 0.00 0.00 32.46 30.06 3g5k n ARG 48 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3g5k n ARG 49 N -0.06 -6.45 -3.91 5.56 5.12 -0.83 -4.99 116.66 111.10 3g5k n ARG 49 Ca 0.18 0.83 -0.24 0.00 -1.93 0.00 0.00 57.85 56.69 3g5k n ARG 49 Cb 0.28 -5.79 -0.05 0.00 -1.16 0.00 0.00 32.46 25.74 3g5k n ARG 49 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g5k n VAL 51 N -1.42 0.40 -3.52 0.00 0.24 -1.26 -4.65 118.33 108.11 3g5k n VAL 51 Ca 0.00 -0.70 -0.12 0.00 -2.04 0.00 0.00 64.34 61.49 3g5k n VAL 51 Cb 0.64 0.81 -0.04 0.00 -1.47 0.00 0.00 33.84 33.77 3g5k n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3g5k s GLY 52 N -0.42 -0.44 -0.09 7.63 0.00 -1.26 -0.77 107.32 111.97 3g5k s GLY 52 Ca 0.01 1.39 -0.28 0.00 0.00 0.00 0.00 44.72 45.85 3g5k s GLY 52 CO 0.01 0.71 0.64 -2.27 0.00 0.00 0.00 173.10 172.18 3g5k s LEU 53 N -1.73 -0.49 0.19 0.66 2.96 -0.63 -4.96 118.68 114.68 3g5k s LEU 53 Ca -0.01 0.81 0.09 0.00 -0.22 0.00 0.00 54.13 54.80 3g5k s LEU 53 Cb -0.01 2.36 -0.04 0.00 0.50 0.00 0.00 46.19 49.00 3g5k s LEU 53 CO -0.01 -0.50 -0.19 -0.94 -1.32 0.00 0.00 176.35 173.38 3g5k s SER 54 N -0.83 2.91 0.48 3.68 1.04 -1.26 -0.38 113.70 119.34 3g5k s SER 54 Ca -0.09 -0.90 0.19 0.00 0.48 0.00 0.00 55.95 55.64 3g5k s SER 54 Cb -0.02 -0.19 1.20 0.00 0.10 0.00 0.00 66.02 67.11 3g5k s SER 54 CO 0.07 -0.01 2.04 0.00 0.98 0.00 0.00 173.24 176.32 3g5k h ALA 55 N 3.07 1.58 0.00 5.32 0.00 -1.18 -1.46 119.26 126.59 3g5k h ALA 55 Ca -0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3g5k h ALA 55 Cb 1.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3g5k h ALA 55 CO 0.52 0.18 -0.06 -1.35 0.00 0.00 0.00 179.25 178.55 3g5k h PRO 56 N 0.00 0.00 0.00 0.00 0.11 -1.56 0.53 132.00 131.08 3g5k h PRO 56 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3g5k h PRO 56 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3g5k h PRO 56 CO 0.02 0.06 0.00 1.96 -0.21 0.00 0.00 178.00 179.83 3g5k h GLN 57 N 0.00 0.00 -0.63 1.05 4.20 -1.55 -0.88 115.11 117.30 3g5k h GLN 57 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3g5k h GLN 57 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 3g5k h GLN 57 CO 0.01 0.00 0.01 1.28 -0.67 0.00 0.00 178.83 179.46 3g5k n LEU 58 N -2.93 5.35 0.00 1.46 4.77 0.09 -0.40 117.00 125.34 3g5k n LEU 58 Ca 0.02 -2.72 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 3g5k n LEU 58 Cb 0.38 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3g5k n LEU 58 CO 0.29 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 3g5k n GLY 59 N 0.54 0.68 3.14 -0.72 0.00 -0.34 -4.96 105.19 103.53 3g5k n GLY 59 Ca 0.26 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3g5k n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g5k s VAL 60 N -2.00 2.71 -1.50 1.61 1.01 -0.69 -4.97 120.40 116.58 3g5k s VAL 60 Ca 0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 61.98 60.39 3g5k s VAL 60 Cb 0.00 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.81 3g5k s VAL 60 CO 0.00 -0.09 2.53 -0.81 0.00 0.00 0.00 175.10 176.74 3g5k n PRO 61 N 4.56 3.54 -4.18 2.72 -0.04 -1.26 -1.79 135.00 138.54 3g5k n PRO 61 Ca -0.13 -2.64 -0.15 0.00 -0.04 0.00 0.00 63.50 60.54 3g5k n PRO 61 Cb 0.43 -2.95 -0.11 0.00 -0.04 0.00 0.00 33.50 30.83 3g5k n PRO 61 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3g5k s ARG 62 N 1.87 0.87 -1.27 0.54 1.81 -1.26 -1.04 118.95 120.47 3g5k s ARG 62 Ca 0.57 -1.18 -0.16 0.00 -1.72 0.00 0.00 55.73 53.25 3g5k s ARG 62 Cb 0.16 -0.57 0.11 0.00 -0.45 0.00 0.00 34.95 34.20 3g5k s ARG 62 CO -0.07 0.09 1.65 1.04 -0.68 0.00 0.00 175.30 177.33 3g5k n GLN 63 N 0.53 3.26 -3.90 3.54 6.02 -0.22 -4.42 117.38 122.19 3g5k n GLN 63 Ca -0.16 -3.47 -0.12 0.00 -0.01 0.00 0.00 57.00 53.24 3g5k n GLN 63 Cb 0.58 -3.30 -0.14 0.00 1.02 0.00 0.00 30.24 28.40 3g5k n GLN 63 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3g5k s VAL 64 N 3.05 0.03 0.07 5.09 1.01 -1.26 -0.70 120.40 127.68 3g5k s VAL 64 Ca 0.49 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 3g5k s VAL 64 Cb 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 36.38 36.36 3g5k s VAL 64 CO 0.04 -0.05 0.28 -1.48 0.00 0.00 0.00 175.10 173.90 3g5k s LEU 65 N -0.16 0.98 0.09 3.92 0.05 -0.32 -0.79 118.68 122.44 3g5k s LEU 65 Ca -0.02 -0.34 0.06 0.00 0.05 0.00 0.00 54.13 53.88 3g5k s LEU 65 Cb -0.01 1.32 -0.03 0.00 -2.05 0.00 0.00 46.19 45.42 3g5k s LEU 65 CO -0.00 -0.68 -0.15 0.00 -0.55 0.00 0.00 176.35 174.97 3g5k s ALA 66 N -3.08 1.36 -0.01 1.48 0.00 0.49 -1.06 121.76 120.93 3g5k s ALA 66 Ca -0.01 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3g5k s ALA 66 Cb 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.04 3g5k s ALA 66 CO -0.07 0.16 -0.00 -0.51 0.00 0.00 0.00 175.76 175.34 3g5k s LEU 67 N -2.03 1.75 -0.28 0.00 1.43 0.04 -1.60 118.68 117.98 3g5k s LEU 67 Ca 0.03 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 52.96 3g5k s LEU 67 Cb -0.08 -0.06 0.11 0.00 0.03 0.00 0.00 46.19 46.18 3g5k s LEU 67 CO 0.03 -0.03 0.81 -0.70 0.23 0.00 0.00 176.35 176.69 3g5k s GLU 68 N 0.28 0.58 -0.34 1.70 2.12 0.05 -0.96 118.70 122.14 3g5k s GLU 68 Ca -0.02 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.29 3g5k s GLU 68 Cb -0.04 0.13 0.11 0.00 0.26 0.00 0.00 34.13 34.59 3g5k s GLU 68 CO -0.01 -0.12 0.12 -1.17 -0.54 0.00 0.00 175.26 173.54 3g5k s LEU 69 N 1.42 2.64 0.55 2.70 2.96 -0.81 -4.38 118.68 123.76 3g5k s LEU 69 Ca -0.09 -1.88 -0.18 0.00 -0.22 0.00 0.00 54.13 51.77 3g5k s LEU 69 Cb -0.04 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.60 3g5k s LEU 69 CO -0.17 -0.39 1.08 -2.84 -1.32 0.00 0.00 176.35 172.72 3g5k s PRO 70 N 1.31 3.42 0.35 0.98 0.02 -1.26 -1.45 135.00 138.37 3g5k s PRO 70 Ca 0.11 1.40 0.11 0.00 0.02 0.00 0.00 61.00 62.64 3g5k s PRO 70 Cb -0.19 -2.03 0.88 0.00 0.02 0.00 0.00 34.50 33.18 3g5k s PRO 70 CO -0.19 -0.75 1.81 1.49 -0.33 0.00 0.00 177.00 179.03 3g5k h GLU 71 N 0.97 0.60 -0.65 5.54 4.57 -1.95 -2.53 114.58 121.13 3g5k h GLU 71 Ca -0.49 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 57.63 3g5k h GLU 71 Cb 1.24 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 3g5k h GLU 71 CO 0.57 0.40 0.28 0.00 -1.18 0.00 0.00 179.01 179.09 3g5k h ALA 72 N 1.62 0.85 -0.96 2.92 0.00 -1.98 0.10 119.26 121.81 3g5k h ALA 72 Ca 0.54 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.33 3g5k h ALA 72 Cb 1.03 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 3g5k h ALA 72 CO -0.29 0.44 0.63 -0.07 0.00 0.00 0.00 179.25 179.95 3g5k h LEU 73 N 0.91 1.03 -0.61 0.00 3.38 -1.83 -1.49 115.31 116.70 3g5k h LEU 73 Ca 0.22 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 3g5k h LEU 73 Cb 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3g5k h LEU 73 CO -0.02 0.70 -0.21 0.00 0.09 0.00 0.00 178.44 179.00 3g5k h ARG 75 N 0.77 0.00 0.00 0.00 3.08 0.00 -0.92 114.38 117.31 3g5k h ARG 75 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3g5k h ARG 75 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 3g5k h ARG 75 CO 0.06 0.20 -0.04 0.93 -1.07 0.00 0.00 179.97 180.06 3g5k h GLU 76 N 0.00 0.00 -6.34 0.04 4.39 -1.09 -3.43 114.58 108.15 3g5k h GLU 76 Ca -0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 3g5k h GLU 76 Cb 0.50 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3g5k h GLU 76 CO 0.03 0.04 0.54 0.00 -1.16 0.00 0.00 179.01 178.45 3g5k n PRO 78 N 4.60 1.26 -0.04 0.00 -0.02 -1.26 -4.60 135.00 134.95 3g5k n PRO 78 Ca 0.08 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3g5k n PRO 78 Cb 0.49 -2.29 0.30 0.00 -0.02 0.00 0.00 33.50 31.97 3g5k n PRO 78 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3g5k h PRO 79 N 1.01 0.62 -0.15 0.52 0.13 -1.94 0.74 132.00 132.93 3g5k h PRO 79 Ca -0.49 -0.10 -0.16 0.00 -0.87 0.00 0.00 66.00 64.38 3g5k h PRO 79 Cb 1.34 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3g5k h PRO 79 CO 0.54 0.56 -0.57 0.00 -0.23 0.00 0.00 178.00 178.29 3g5k h ARG 80 N 0.61 0.46 -0.45 0.86 3.08 -2.00 -1.06 114.38 115.88 3g5k h ARG 80 Ca 0.14 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 3g5k h ARG 80 Cb 0.21 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3g5k h ARG 80 CO -0.01 0.91 -0.16 0.37 -1.07 0.00 0.00 179.97 180.01 3g5k h GLN 81 N 0.35 0.86 -0.59 0.04 4.15 -1.68 -1.81 115.11 116.44 3g5k h GLN 81 Ca 0.00 -0.32 -0.06 0.00 0.77 0.00 0.00 58.65 59.04 3g5k h GLN 81 Cb 1.10 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.72 3g5k h GLN 81 CO 0.10 0.96 0.14 -0.09 -1.93 0.00 0.00 178.83 178.01 3g5k h ARG 82 N 0.76 0.91 -0.00 1.69 2.43 -0.48 -0.98 114.38 118.72 3g5k h ARG 82 Ca 0.12 -0.20 -0.23 0.00 -0.81 0.00 0.00 59.98 58.86 3g5k h ARG 82 Cb 0.68 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3g5k h ARG 82 CO 0.05 0.82 -0.94 0.00 -1.51 0.00 0.00 179.97 178.39 3g5k h ALA 83 N 1.27 0.36 -0.48 2.80 0.00 -1.05 -1.40 119.26 120.76 3g5k h ALA 83 Ca 0.19 -0.71 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 3g5k h ALA 83 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3g5k h ALA 83 CO 0.00 0.81 -0.02 -0.07 0.00 0.00 0.00 179.25 179.98 3g5k h LEU 84 N 0.23 0.79 0.00 0.00 3.38 -0.97 -2.44 115.31 116.30 3g5k h LEU 84 Ca -0.08 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3g5k h LEU 84 Cb 1.58 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3g5k h LEU 84 CO 0.16 0.86 -0.14 0.54 0.09 0.00 0.00 178.44 179.96 3g5k n ARG 85 N -4.20 0.04 -3.55 1.13 1.74 -0.40 -4.93 116.66 106.49 3g5k n ARG 85 Ca 0.02 0.03 -0.19 0.00 -0.77 0.00 0.00 57.85 56.94 3g5k n ARG 85 Cb 0.31 -1.54 0.06 0.00 -1.02 0.00 0.00 32.46 30.27 3g5k n ARG 85 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3g5k n GLN 86 N -1.61 -5.70 -3.37 5.56 6.02 -0.61 -2.41 117.38 115.27 3g5k n GLN 86 Ca 0.06 0.74 -0.42 0.00 -0.01 0.00 0.00 57.00 57.38 3g5k n GLN 86 Cb 0.35 -5.54 -0.09 0.00 1.02 0.00 0.00 30.24 25.98 3g5k n GLN 86 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3g5k s MET 87 N -5.62 3.39 0.03 -1.09 1.75 -0.74 -2.16 119.30 114.85 3g5k s MET 87 Ca 0.02 -0.54 0.04 0.00 -1.25 0.00 0.00 55.69 53.95 3g5k s MET 87 Cb -0.00 -3.87 -0.02 0.00 2.84 0.00 0.00 34.83 33.78 3g5k s MET 87 CO 0.77 -0.65 -0.11 -1.21 -0.65 0.00 0.00 175.02 173.17 3g5k s GLU 88 N 2.07 0.78 0.61 4.11 0.41 -1.26 -4.88 118.70 120.54 3g5k s GLU 88 Ca 0.12 -0.63 -0.18 0.00 -0.41 0.00 0.00 54.97 53.88 3g5k s GLU 88 Cb -0.17 -0.73 -0.02 0.00 -1.78 0.00 0.00 34.13 31.43 3g5k s GLU 88 CO 0.12 0.18 1.16 -1.25 -0.49 0.00 0.00 175.26 174.99 3g5k s PRO 89 N -0.96 2.92 0.04 0.39 0.04 -1.26 -4.84 135.00 131.33 3g5k s PRO 89 Ca -0.00 1.66 -0.09 0.00 0.04 0.00 0.00 61.00 62.61 3g5k s PRO 89 Cb -0.07 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3g5k s PRO 89 CO 0.01 -1.21 0.17 -0.59 0.04 0.00 0.00 177.00 175.42 3g5k s PHE 90 N -1.87 0.07 0.69 0.56 -0.71 -0.53 -4.99 117.98 111.21 3g5k s PHE 90 Ca 0.73 -0.29 -0.09 0.00 -1.04 0.00 0.00 56.93 56.24 3g5k s PHE 90 Cb -0.26 -0.05 0.04 0.00 -1.21 0.00 0.00 43.02 41.54 3g5k s PHE 90 CO 0.35 -0.41 1.04 -1.25 -1.34 0.00 0.00 175.22 173.62 3g5k s PRO 91 N -2.44 2.56 0.13 1.99 0.04 -1.26 -1.91 135.00 134.10 3g5k s PRO 91 Ca -0.06 0.11 -0.34 0.00 0.04 0.00 0.00 61.00 60.75 3g5k s PRO 91 Cb -0.02 -2.11 -0.14 0.00 0.04 0.00 0.00 34.50 32.28 3g5k s PRO 91 CO -0.03 -1.10 1.62 -0.11 0.04 0.00 0.00 177.00 177.42 3g5k n LEU 92 N -2.93 3.15 -4.13 -3.56 7.94 -1.26 -4.65 117.00 111.56 3g5k n LEU 92 Ca 0.07 1.07 -0.23 0.00 -1.11 0.00 0.00 56.01 55.81 3g5k n LEU 92 Cb 0.59 -1.42 -0.15 0.00 0.53 0.00 0.00 43.42 42.97 3g5k n LEU 92 CO 0.55 -0.26 -0.48 -0.13 -1.11 0.00 0.00 177.39 175.96 3g5k s ARG 93 N 1.29 1.22 -0.11 1.96 0.52 -0.13 -5.00 118.95 118.70 3g5k s ARG 93 Ca 0.80 -0.58 0.03 0.00 -0.52 0.00 0.00 55.73 55.47 3g5k s ARG 93 Cb -0.68 -1.19 -0.00 0.00 0.52 0.00 0.00 34.95 33.60 3g5k s ARG 93 CO 0.39 0.32 -0.22 0.08 0.02 0.00 0.00 175.30 175.89 3g5k s VAL 94 N -0.41 2.21 -0.06 3.52 1.01 -1.26 -0.78 120.40 124.63 3g5k s VAL 94 Ca 0.06 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.13 3g5k s VAL 94 Cb -0.06 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 3g5k s VAL 94 CO -0.00 0.55 -0.23 -0.36 0.00 0.00 0.00 175.10 175.06 3g5k s PHE 95 N 0.36 2.50 -0.07 5.22 0.40 -0.23 -4.40 117.98 121.76 3g5k s PHE 95 Ca -0.17 -0.64 0.04 0.00 -0.60 0.00 0.00 56.93 55.56 3g5k s PHE 95 Cb -0.18 -1.62 -0.01 0.00 0.51 0.00 0.00 43.02 41.72 3g5k s PHE 95 CO 0.08 -0.16 -0.21 0.08 0.70 0.00 0.00 175.22 175.71 3g5k s VAL 96 N -0.21 2.42 -1.45 -0.44 1.01 0.81 -1.18 120.40 121.36 3g5k s VAL 96 Ca -0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 3g5k s VAL 96 Cb -0.13 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.32 3g5k s VAL 96 CO 0.03 0.57 0.29 0.59 0.00 0.00 0.00 175.10 176.58 3g5k n ASN 97 N 2.97 0.07 -4.85 3.32 3.02 0.12 -1.26 115.26 118.65 3g5k n ASN 97 Ca -0.18 -1.09 -0.31 0.00 -0.03 0.00 0.00 54.58 52.97 3g5k n ASN 97 Cb 0.52 -2.61 0.02 0.00 -0.61 0.00 0.00 39.78 37.10 3g5k n ASN 97 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3g5k s PRO 98 N -6.81 3.40 0.08 3.52 0.04 -1.26 -4.58 135.00 129.39 3g5k s PRO 98 Ca 0.01 0.86 0.03 0.00 0.04 0.00 0.00 61.00 61.94 3g5k s PRO 98 Cb -0.00 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3g5k s PRO 98 CO 0.92 -0.73 -0.09 -1.54 0.04 0.00 0.00 177.00 175.60 3g5k s SER 99 N -3.87 1.27 -0.02 6.66 1.04 0.79 -4.96 113.70 114.61 3g5k s SER 99 Ca 0.57 -0.77 0.05 0.00 0.48 0.00 0.00 55.95 56.28 3g5k s SER 99 Cb -0.12 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.01 3g5k s SER 99 CO 0.51 -0.27 -0.18 -0.22 0.98 0.00 0.00 173.24 174.07 3g5k s LEU 100 N -2.28 2.02 -0.02 2.42 0.20 -1.26 -1.33 118.68 118.43 3g5k s LEU 100 Ca 0.02 -0.32 0.04 0.00 0.69 0.00 0.00 54.13 54.56 3g5k s LEU 100 Cb -0.04 -0.91 -0.01 0.00 -0.43 0.00 0.00 46.19 44.80 3g5k s LEU 100 CO -0.01 0.21 -0.14 -0.13 -0.29 0.00 0.00 176.35 176.00 3g5k s ARG 101 N -0.36 1.20 0.07 1.98 0.52 -0.07 -4.98 118.95 117.30 3g5k s ARG 101 Ca 0.06 -0.49 -0.29 0.00 -0.52 0.00 0.00 55.73 54.48 3g5k s ARG 101 Cb -0.07 -1.13 -0.05 0.00 0.52 0.00 0.00 34.95 34.21 3g5k s ARG 101 CO -0.00 0.27 0.92 0.08 0.02 0.00 0.00 175.30 176.59 3g5k s VAL 102 N -0.23 4.64 -0.24 3.52 1.01 -1.26 -0.31 120.40 127.53 3g5k s VAL 102 Ca 0.03 1.97 0.05 0.00 0.00 0.00 0.00 61.98 64.03 3g5k s VAL 102 Cb -0.07 -4.28 -0.18 0.00 0.00 0.00 0.00 36.38 31.86 3g5k s VAL 102 CO -0.00 0.29 -0.17 0.18 0.00 0.00 0.00 175.10 175.39 3g5k n LEU 103 N 3.07 2.45 -3.73 3.92 4.77 -0.22 -4.90 117.00 122.37 3g5k n LEU 103 Ca 0.02 -0.11 -0.27 0.00 -0.03 0.00 0.00 56.01 55.62 3g5k n LEU 103 Cb 0.50 -0.65 -0.17 0.00 -2.33 0.00 0.00 43.42 40.78 3g5k n LEU 103 CO 0.50 0.85 -0.36 -0.62 -1.33 0.00 0.00 177.39 176.43 3g5k s ASP 104 N -6.28 2.80 0.00 -1.43 -1.08 -0.72 -4.94 116.67 105.01 3g5k s ASP 104 Ca -0.30 -0.77 0.14 0.00 -0.52 0.00 0.00 52.55 51.10 3g5k s ASP 104 Cb 0.08 -0.56 0.48 0.00 -1.46 0.00 0.00 42.92 41.46 3g5k s ASP 104 CO 0.63 -0.30 1.36 -1.54 0.52 0.00 0.00 175.17 175.83 3g5k n SER 105 N 5.07 1.52 -4.77 -0.34 3.41 -1.26 -2.45 113.62 114.80 3g5k n SER 105 Ca -0.09 -1.87 -0.40 0.00 -0.26 0.00 0.00 58.87 56.25 3g5k n SER 105 Cb 0.47 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3g5k n SER 105 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3g5k s ARG 106 N -1.69 3.98 -0.08 4.33 6.06 -1.26 -4.74 118.95 125.55 3g5k s ARG 106 Ca 0.25 2.45 -0.08 0.00 -2.50 0.00 0.00 55.73 55.85 3g5k s ARG 106 Cb 0.13 -2.85 -0.04 0.00 0.06 0.00 0.00 34.95 32.24 3g5k s ARG 106 CO 0.18 -0.59 0.20 -0.51 -2.50 0.00 0.00 175.30 172.08 3g5k s LEU 107 N -2.31 4.40 -0.04 -0.88 1.43 -1.26 -0.69 118.68 119.34 3g5k s LEU 107 Ca 0.55 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 54.22 3g5k s LEU 107 Cb -0.44 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.52 3g5k s LEU 107 CO 0.59 0.37 -0.10 -0.69 0.23 0.00 0.00 176.35 176.74 3g5k s VAL 108 N -1.10 0.90 -0.13 -1.59 1.01 0.16 -4.90 120.40 114.74 3g5k s VAL 108 Ca 0.19 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3g5k s VAL 108 Cb -0.13 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3g5k s VAL 108 CO 0.08 0.28 -0.16 -0.89 0.00 0.00 0.00 175.10 174.41 3g5k s THR 109 N 0.30 2.76 0.17 3.92 2.01 -1.26 -0.43 115.64 123.11 3g5k s THR 109 Ca -0.06 -0.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 3g5k s THR 109 Cb -0.11 -2.14 -0.00 0.00 0.01 0.00 0.00 72.50 70.26 3g5k s THR 109 CO 0.01 0.53 0.32 -0.36 -0.69 0.00 0.00 174.62 174.43 3g5k s PHE 110 N 0.45 0.35 0.35 4.92 0.08 -1.20 -4.92 117.98 118.01 3g5k s PHE 110 Ca -0.11 -0.71 -0.27 0.00 0.12 0.00 0.00 56.93 55.96 3g5k s PHE 110 Cb -0.16 -0.00 -0.09 0.00 -0.57 0.00 0.00 43.02 42.20 3g5k s PHE 110 CO 0.05 -0.75 1.14 -2.14 -0.10 0.00 0.00 175.22 173.42 3g5k s PRO 111 N -3.96 4.33 0.11 0.24 0.02 -1.26 -1.21 135.00 133.26 3g5k s PRO 111 Ca 0.17 1.83 0.03 0.00 0.02 0.00 0.00 61.00 63.04 3g5k s PRO 111 Cb 0.03 -2.90 -0.04 0.00 0.02 0.00 0.00 34.50 31.61 3g5k s PRO 111 CO 0.00 -0.08 -0.08 -1.21 -0.33 0.00 0.00 177.00 175.31 3g5k s GLU 112 N -1.95 0.90 0.30 5.54 2.02 0.19 -4.92 118.70 120.79 3g5k s GLU 112 Ca 0.51 -1.36 0.02 0.00 0.02 0.00 0.00 54.97 54.17 3g5k s GLU 112 Cb -0.31 -0.34 -0.05 0.00 0.10 0.00 0.00 34.13 33.53 3g5k s GLU 112 CO 0.40 0.01 0.12 0.20 0.02 0.00 0.00 175.26 176.01 3g5k s GLY 113 N -3.05 1.97 -0.01 -1.39 0.00 -1.26 -1.30 107.32 102.29 3g5k s GLY 113 Ca 0.13 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 43.07 3g5k s GLY 113 CO -0.03 -1.64 -0.04 0.00 0.00 0.00 0.00 173.10 171.39 3g5k h GLU 115 N 6.17 0.00 -0.25 0.00 4.39 -1.97 -1.18 114.58 121.74 3g5k h GLU 115 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3g5k h GLU 115 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3g5k h GLU 115 CO 0.50 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.78 3g5k n SER 116 N -3.17 2.53 -3.25 1.42 7.64 -1.26 -3.93 113.62 113.60 3g5k n SER 116 Ca -0.03 -1.85 -0.25 0.00 1.01 0.00 0.00 58.87 57.75 3g5k n SER 116 Cb 0.07 -0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 63.05 3g5k n SER 116 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3g5k n VAL 117 N 0.90 0.89 -1.71 0.44 0.31 -0.45 -0.87 118.33 117.83 3g5k n VAL 117 Ca 0.17 -4.69 -0.43 0.00 -0.01 0.00 0.00 64.34 59.38 3g5k n VAL 117 Cb 0.47 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.63 3g5k n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g5k n ALA 118 N 0.88 2.30 -0.28 3.52 0.00 -1.23 -3.13 120.51 122.57 3g5k n ALA 118 Ca 0.26 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.10 3g5k n ALA 118 Cb 0.49 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.49 3g5k n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g5k n GLY 119 N 3.05 0.85 3.23 0.00 0.00 -1.26 -5.07 105.19 105.99 3g5k n GLY 119 Ca 0.13 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 3g5k n GLY 119 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g5k s PHE 120 N -2.00 1.17 0.05 1.61 0.08 -1.18 -1.41 117.98 116.31 3g5k s PHE 120 Ca 0.00 -0.80 0.01 0.00 0.12 0.00 0.00 56.93 56.27 3g5k s PHE 120 Cb 0.00 -0.61 -0.03 0.00 -0.57 0.00 0.00 43.02 41.81 3g5k s PHE 120 CO 0.00 0.03 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.57 3g5k s LEU 121 N -3.13 2.34 0.07 -0.37 1.43 -0.44 -4.35 118.68 114.22 3g5k s LEU 121 Ca 0.15 -0.70 -0.21 0.00 -1.03 0.00 0.00 54.13 52.34 3g5k s LEU 121 Cb 0.03 -0.07 0.05 0.00 0.03 0.00 0.00 46.19 46.23 3g5k s LEU 121 CO -0.01 -0.32 0.50 0.00 0.23 0.00 0.00 176.35 176.75 3g5k s ALA 122 N -2.21 -1.26 0.22 4.21 0.00 -0.42 -0.70 121.76 121.59 3g5k s ALA 122 Ca -0.04 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 3g5k s ALA 122 Cb -0.04 0.48 -0.08 0.00 0.00 0.00 0.00 23.12 23.47 3g5k s ALA 122 CO -0.02 -0.55 1.11 0.00 0.00 0.00 0.00 175.76 176.30 3g5k s VAL 124 N -0.56 0.13 0.23 0.00 1.01 -0.35 -0.93 120.40 119.93 3g5k s VAL 124 Ca 0.48 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 3g5k s VAL 124 Cb -0.31 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.74 3g5k s VAL 124 CO 0.37 0.14 1.26 -2.16 0.00 0.00 0.00 175.10 174.71 3g5k s PRO 125 N 1.06 4.44 0.05 2.72 0.04 -1.26 -3.22 135.00 138.83 3g5k s PRO 125 Ca -0.09 2.01 0.00 0.00 0.04 0.00 0.00 61.00 62.96 3g5k s PRO 125 Cb -0.13 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 3g5k s PRO 125 CO -0.02 -0.14 -0.04 1.03 0.04 0.00 0.00 177.00 177.87 3g5k s ARG 126 N -0.61 0.56 0.58 4.56 1.81 0.43 -4.91 118.95 121.36 3g5k s ARG 126 Ca 0.53 -1.02 -0.19 0.00 -1.72 0.00 0.00 55.73 53.33 3g5k s ARG 126 Cb -0.36 0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.16 3g5k s ARG 126 CO 0.41 -0.06 1.15 -0.06 -0.68 0.00 0.00 175.30 176.06 3g5k s PHE 127 N -2.93 2.57 0.22 -0.53 2.99 -1.26 -0.67 117.98 118.37 3g5k s PHE 127 Ca -0.00 1.54 -0.04 0.00 0.00 0.00 0.00 56.93 58.42 3g5k s PHE 127 Cb 0.01 -3.33 0.20 0.00 0.00 0.00 0.00 43.02 39.90 3g5k s PHE 127 CO -0.06 -1.79 1.65 0.37 -0.00 0.00 0.00 175.22 175.40 3g5k h GLN 128 N 0.91 0.80 -3.21 0.44 5.75 -0.56 -3.42 115.11 115.82 3g5k h GLN 128 Ca -0.50 -0.30 -0.15 0.00 -0.15 0.00 0.00 58.65 57.55 3g5k h GLN 128 Cb 1.27 -0.05 -0.24 0.00 1.07 0.00 0.00 27.48 29.53 3g5k h GLN 128 CO 0.56 0.92 -0.42 0.00 -2.65 0.00 0.00 178.83 177.23 3g5k s ALA 129 N -4.70 -0.56 0.14 3.38 0.00 -1.05 -0.55 121.76 118.41 3g5k s ALA 129 Ca -0.10 0.45 -0.05 0.00 0.00 0.00 0.00 51.96 52.26 3g5k s ALA 129 Cb 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 3g5k s ALA 129 CO 0.83 -0.16 0.15 0.14 0.00 0.00 0.00 175.76 176.73 3g5k s VAL 130 N -0.43 0.09 -0.10 0.00 -7.23 -0.54 -1.06 120.40 111.14 3g5k s VAL 130 Ca -0.05 -1.66 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 3g5k s VAL 130 Cb -0.04 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 35.00 3g5k s VAL 130 CO 0.01 -0.42 -0.19 -1.58 -0.31 0.00 0.00 175.10 172.61 3g5k s GLN 131 N -4.00 2.54 -0.11 4.82 0.74 0.58 -1.04 119.66 123.19 3g5k s GLN 131 Ca 0.20 -0.70 -0.00 0.00 0.05 0.00 0.00 55.36 54.91 3g5k s GLN 131 Cb 0.06 -2.00 -0.02 0.00 1.10 0.00 0.00 33.01 32.14 3g5k s GLN 131 CO 0.00 0.07 -0.08 -1.50 -0.55 0.00 0.00 175.29 173.23 3g5k s ILE 132 N 0.59 3.52 0.02 -2.34 2.07 -0.24 -0.89 121.20 123.93 3g5k s ILE 132 Ca -0.14 -0.52 0.06 0.00 -1.41 0.00 0.00 60.65 58.64 3g5k s ILE 132 Cb -0.17 -2.47 -0.02 0.00 0.13 0.00 0.00 42.46 39.93 3g5k s ILE 132 CO 0.05 0.55 -0.17 -0.44 -1.91 0.00 0.00 174.94 173.01 3g5k s SER 133 N -0.15 2.00 0.00 4.50 0.01 -0.44 -0.70 113.70 118.92 3g5k s SER 133 Ca 0.01 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.86 3g5k s SER 133 Cb -0.13 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.92 3g5k s SER 133 CO 0.03 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.42 3g5k n GLY 134 N 2.17 1.29 3.60 3.44 0.00 -0.30 -0.15 105.19 115.24 3g5k n GLY 134 Ca -0.16 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 3g5k n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g5k s LEU 135 N 0.00 3.19 0.88 0.99 1.43 -0.39 -0.13 118.68 124.66 3g5k s LEU 135 Ca 0.00 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 3g5k s LEU 135 Cb 0.00 -1.81 0.12 0.00 0.03 0.00 0.00 46.19 44.53 3g5k s LEU 135 CO 0.00 0.30 1.10 1.51 0.23 0.00 0.00 176.35 179.49 3g5k s ASP 136 N -1.33 3.71 0.57 2.29 1.47 0.67 -0.14 116.67 123.91 3g5k s ASP 136 Ca 0.16 1.30 0.32 0.00 1.18 0.00 0.00 52.55 55.52 3g5k s ASP 136 Cb -0.11 -1.98 1.77 0.00 -0.34 0.00 0.00 42.92 42.25 3g5k s ASP 136 CO 0.07 -2.47 1.98 -0.65 0.68 0.00 0.00 175.17 174.78 3g5k h PRO 137 N -1.43 0.00 -0.05 2.11 0.11 -1.90 0.05 132.00 130.89 3g5k h PRO 137 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3g5k h PRO 137 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3g5k h PRO 137 CO 0.58 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.46 3g5k n ASN 138 N -2.77 1.95 0.00 -2.05 3.02 -1.26 -0.07 115.26 114.09 3g5k n ASN 138 Ca -0.02 -1.66 0.00 0.00 -0.03 0.00 0.00 54.58 52.87 3g5k n ASN 138 Cb 0.20 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3g5k n ASN 138 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g5k n GLY 139 N 1.23 0.76 3.80 7.41 0.00 0.00 -4.68 105.19 113.71 3g5k n GLY 139 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3g5k n GLY 139 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g5k s GLU 140 N -0.83 4.36 0.31 1.61 2.02 -1.26 -4.78 118.70 120.13 3g5k s GLU 140 Ca 0.00 1.00 -0.29 0.00 0.02 0.00 0.00 54.97 55.70 3g5k s GLU 140 Cb 0.00 -2.92 -0.10 0.00 0.10 0.00 0.00 34.13 31.21 3g5k s GLU 140 CO 0.00 0.40 1.22 -0.65 0.02 0.00 0.00 175.26 176.25 3g5k s GLN 141 N -1.87 4.47 -0.01 1.61 -1.52 -1.26 -0.24 119.66 120.84 3g5k s GLN 141 Ca 0.43 2.04 0.02 0.00 -1.95 0.00 0.00 55.36 55.91 3g5k s GLN 141 Cb -0.18 -3.12 -0.00 0.00 -0.22 0.00 0.00 33.01 29.49 3g5k s GLN 141 CO 0.22 -0.03 -0.06 0.08 -0.25 0.00 0.00 175.29 175.26 3g5k s VAL 142 N -1.11 0.49 -0.03 1.09 1.01 0.82 -4.82 120.40 117.85 3g5k s VAL 142 Ca 0.47 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3g5k s VAL 142 Cb -0.36 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.60 3g5k s VAL 142 CO 0.48 0.15 -0.09 -0.69 0.00 0.00 0.00 175.10 174.94 3g5k s VAL 143 N -0.02 0.81 -0.11 2.92 1.01 -1.26 -1.15 120.40 122.60 3g5k s VAL 143 Ca 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 3g5k s VAL 143 Cb -0.04 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.65 3g5k s VAL 143 CO -0.00 0.26 0.03 0.86 0.00 0.00 0.00 175.10 176.25 3g5k s TRP 144 N 0.32 0.59 -0.19 5.22 -0.00 0.12 -5.00 118.94 120.00 3g5k s TRP 144 Ca -0.05 -0.30 -0.15 0.00 -0.00 0.00 0.00 56.10 55.59 3g5k s TRP 144 Cb -0.10 -0.79 -0.04 0.00 -0.00 0.00 0.00 33.47 32.53 3g5k s TRP 144 CO 0.01 -0.41 0.38 -0.65 -0.00 0.00 0.00 176.95 176.28 3g5k s GLN 145 N 2.00 4.20 0.05 5.86 -0.21 -1.26 -1.08 119.66 129.22 3g5k s GLN 145 Ca 0.03 0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.60 3g5k s GLN 145 Cb -0.14 -3.51 -0.03 0.00 1.00 0.00 0.00 33.01 30.33 3g5k s GLN 145 CO -0.06 0.03 -0.05 0.00 -2.12 0.00 0.00 175.29 173.09 3g5k s ALA 146 N 1.08 0.53 0.24 6.09 0.00 -0.21 -5.01 121.76 124.49 3g5k s ALA 146 Ca 0.19 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.18 3g5k s ALA 146 Cb -0.14 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 3g5k s ALA 146 CO 0.07 -0.20 0.09 -1.54 0.00 0.00 0.00 175.76 174.18 3g5k s SER 147 N -2.26 1.10 0.78 0.00 1.04 -1.26 -1.47 113.70 111.64 3g5k s SER 147 Ca -0.02 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.06 3g5k s SER 147 Cb -0.02 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3g5k s SER 147 CO -0.04 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3g5k n GLY 148 N -0.42 1.83 0.24 7.32 0.00 0.29 -2.97 105.19 111.48 3g5k n GLY 148 Ca -0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 3g5k n GLY 148 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3g5k h TRP 149 N 0.00 0.72 -0.88 1.61 2.91 -1.07 -1.54 115.95 117.69 3g5k h TRP 149 Ca 0.00 -0.20 0.07 0.00 1.13 0.00 0.00 58.89 59.89 3g5k h TRP 149 Cb 0.00 -0.16 -0.06 0.00 -0.51 0.00 0.00 29.16 28.43 3g5k h TRP 149 CO 0.00 0.90 0.55 0.00 -1.03 0.00 0.00 178.44 178.86 3g5k h ALA 150 N 1.08 1.22 -0.46 2.65 0.00 -1.76 -1.47 119.26 120.52 3g5k h ALA 150 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3g5k h ALA 150 Cb 0.88 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3g5k h ALA 150 CO 0.08 0.30 -0.03 0.00 0.00 0.00 0.00 179.25 179.59 3g5k h ALA 151 N 1.42 1.09 -0.57 0.00 0.00 -1.20 -1.40 119.26 118.60 3g5k h ALA 151 Ca 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3g5k h ALA 151 Cb 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3g5k h ALA 151 CO -0.18 0.57 0.26 -0.09 0.00 0.00 0.00 179.25 179.81 3g5k h ARG 152 N 0.72 0.82 -0.45 0.00 2.43 -0.61 -1.05 114.38 116.24 3g5k h ARG 152 Ca 0.14 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3g5k h ARG 152 Cb 0.48 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3g5k h ARG 152 CO 0.02 0.68 0.27 0.82 -1.51 0.00 0.00 179.97 180.26 3g5k h ILE 153 N 0.77 1.06 -0.48 1.20 2.04 -1.00 -0.86 117.51 120.24 3g5k h ILE 153 Ca 0.19 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.89 3g5k h ILE 153 Cb 0.14 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3g5k h ILE 153 CO -0.02 0.10 0.29 0.40 0.00 0.00 0.00 178.15 178.91 3g5k h ILE 154 N 0.55 1.05 -0.32 -0.67 2.04 -1.04 -0.85 117.51 118.27 3g5k h ILE 154 Ca 0.18 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3g5k h ILE 154 Cb -0.00 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3g5k h ILE 154 CO -0.07 0.10 0.12 1.56 0.00 0.00 0.00 178.15 179.86 3g5k h GLN 155 N 0.57 0.48 -0.32 2.37 4.20 -0.82 0.63 115.11 122.21 3g5k h GLN 155 Ca 0.19 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.82 3g5k h GLN 155 Cb 0.01 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3g5k h GLN 155 CO -0.09 0.50 0.20 1.25 -0.67 0.00 0.00 178.83 180.02 3g5k h HIS 156 N 0.36 0.38 -0.46 2.96 2.76 -0.86 -0.41 115.15 119.88 3g5k h HIS 156 Ca 0.10 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.17 3g5k h HIS 156 Cb 0.20 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 3g5k h HIS 156 CO -0.00 0.23 -0.17 0.93 -1.30 0.00 0.00 177.93 177.62 3g5k h GLU 157 N 0.41 0.92 -0.58 5.26 4.39 -0.92 -2.69 114.58 121.37 3g5k h GLU 157 Ca 0.12 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 3g5k h GLU 157 Cb -0.02 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 3g5k h GLU 157 CO -0.04 1.04 0.23 0.52 -1.16 0.00 0.00 179.01 179.59 3g5k h MET 158 N 0.77 0.84 -0.51 2.33 2.86 -0.79 -2.07 114.93 118.35 3g5k h MET 158 Ca 0.11 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3g5k h MET 158 Cb 0.73 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 3g5k h MET 158 CO 0.06 0.69 0.20 -0.44 1.06 0.00 0.00 176.91 178.48 3g5k h ASP 159 N 0.83 0.66 -0.54 1.22 3.32 -0.85 -1.21 116.42 119.84 3g5k h ASP 159 Ca 0.20 -0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.24 3g5k h ASP 159 Cb 0.17 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3g5k h ASP 159 CO -0.02 0.59 0.36 0.45 -1.72 0.00 0.00 179.24 178.91 3g5k h HIS 160 N 0.72 0.48 0.00 4.55 3.86 -1.05 -0.19 115.15 123.52 3g5k h HIS 160 Ca 0.17 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3g5k h HIS 160 Cb 0.14 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.45 3g5k h HIS 160 CO 0.01 0.25 0.00 1.28 0.86 0.00 0.00 177.93 180.33 3g5k n LEU 161 N -4.47 0.50 -0.91 2.43 4.77 -0.47 -2.07 117.00 116.77 3g5k n LEU 161 Ca 0.08 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 3g5k n LEU 161 Cb 0.26 -0.44 0.26 0.00 -2.33 0.00 0.00 43.42 41.17 3g5k n LEU 161 CO 0.34 -0.23 0.72 0.00 -1.33 0.00 0.00 177.39 176.90 3g5k n GLN 162 N -1.99 2.20 -1.04 3.23 1.13 -0.25 -1.43 117.38 119.24 3g5k n GLN 162 Ca 0.05 -1.80 0.00 0.00 -1.94 0.00 0.00 57.00 53.31 3g5k n GLN 162 Cb 0.34 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.22 3g5k n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g5k n GLY 163 N 1.35 0.55 3.45 1.08 0.00 -0.86 -4.49 105.19 106.26 3g5k n GLY 163 Ca 0.18 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 3g5k n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5k s LEU 165 N 0.30 3.35 0.51 0.00 1.43 -1.26 -3.00 118.68 120.01 3g5k s LEU 165 Ca -0.06 -0.63 0.28 0.00 -1.03 0.00 0.00 54.13 52.68 3g5k s LEU 165 Cb -0.15 -1.86 1.38 0.00 0.03 0.00 0.00 46.19 45.59 3g5k s LEU 165 CO 0.04 -0.17 2.03 2.19 0.23 0.00 0.00 176.35 180.67 3g5k h PHE 166 N 1.62 0.00 0.00 0.29 -5.15 -1.98 0.35 116.94 112.07 3g5k h PHE 166 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 3g5k h PHE 166 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 3g5k h PHE 166 CO 0.62 0.13 0.00 0.44 -2.00 0.00 0.00 178.31 177.50 3g5k n ILE 167 N -3.54 1.14 0.73 0.88 -5.35 -1.26 -1.41 119.36 110.55 3g5k n ILE 167 Ca -0.01 0.49 0.13 0.00 -0.27 0.00 0.00 62.75 63.08 3g5k n ILE 167 Cb 0.27 -1.44 0.40 0.00 -1.74 0.00 0.00 39.64 37.13 3g5k n ILE 167 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3g5k n ASP 168 N -2.03 0.58 0.00 7.28 8.00 0.11 -4.14 116.55 126.35 3g5k n ASP 168 Ca 0.00 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.91 3g5k n ASP 168 Cb 0.10 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 3g5k n ASP 168 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3g5k n LYS 169 N -2.00 3.56 -1.22 -1.24 5.02 -0.50 -5.07 118.16 116.70 3g5k n LYS 169 Ca 0.05 -0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 55.96 3g5k n LYS 169 Cb 0.40 -0.46 0.11 0.00 -0.02 0.00 0.00 35.03 35.06 3g5k n LYS 169 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g5k s MET 170 N -0.53 1.87 -0.74 1.97 0.23 -0.50 -4.42 119.30 117.18 3g5k s MET 170 Ca 0.00 1.07 -0.25 0.00 -1.03 0.00 0.00 55.69 55.47 3g5k s MET 170 Cb 0.00 -1.86 0.05 0.00 -1.53 0.00 0.00 34.83 31.49 3g5k s MET 170 CO 0.00 -1.88 1.19 0.34 -2.03 0.00 0.00 175.02 172.64 3g5k s ASP 171 N -3.37 6.20 0.60 -1.18 -1.08 -0.11 -4.91 116.67 112.82 3g5k s ASP 171 Ca 0.62 -0.72 0.40 0.00 -0.52 0.00 0.00 52.55 52.33 3g5k s ASP 171 Cb -0.18 -2.51 2.14 0.00 -1.46 0.00 0.00 42.92 40.91 3g5k s ASP 171 CO 0.56 -1.68 2.22 0.77 0.52 0.00 0.00 175.17 177.57 3g5k h SER 172 N 9.84 0.00 0.31 -0.34 4.64 -1.93 -0.26 113.55 125.81 3g5k h SER 172 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3g5k h SER 172 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3g5k h SER 172 CO 1.26 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.76 3g5k n ARG 173 N -2.93 0.63 -0.11 4.77 1.74 -1.26 -1.99 116.66 117.51 3g5k n ARG 173 Ca -0.02 0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.16 3g5k n ARG 173 Cb 0.08 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.16 3g5k n ARG 173 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3g5k n THR 174 N -1.17 0.37 -2.00 0.55 -2.24 -0.11 -4.98 114.28 104.71 3g5k n THR 174 Ca 0.17 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 3g5k n THR 174 Cb 0.17 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 3g5k n THR 174 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3g5k s PHE 175 N -1.31 3.08 -0.05 4.78 5.36 -0.84 -4.43 117.98 124.58 3g5k s PHE 175 Ca 0.27 0.82 -0.13 0.00 -0.96 0.00 0.00 56.93 56.93 3g5k s PHE 175 Cb 0.17 -3.84 0.02 0.00 -0.34 0.00 0.00 43.02 39.03 3g5k s PHE 175 CO 0.24 -2.97 0.31 -0.08 -1.46 0.00 0.00 175.22 171.25 3g5k s THR 176 N 0.76 0.04 0.55 0.12 -1.32 0.12 -4.99 115.64 110.91 3g5k s THR 176 Ca 0.65 -0.34 -0.21 0.00 -1.21 0.00 0.00 61.69 60.58 3g5k s THR 176 Cb -0.42 -0.56 -0.05 0.00 -1.51 0.00 0.00 72.50 69.97 3g5k s THR 176 CO 0.35 -0.19 1.31 0.20 -2.21 0.00 0.00 174.62 174.08 3g5k s ASN 177 N -0.87 5.32 0.40 8.08 0.01 -1.26 -1.33 114.94 125.29 3g5k s ASN 177 Ca -0.09 2.66 0.29 0.00 -0.71 0.00 0.00 52.86 55.00 3g5k s ASN 177 Cb -0.04 -2.63 1.19 0.00 0.41 0.00 0.00 41.25 40.18 3g5k s ASN 177 CO 0.03 -1.52 1.85 -0.37 -1.51 0.00 0.00 177.10 175.57 3g5k h VAL 178 N 1.37 0.00 -0.05 1.60 -1.51 -1.58 -1.80 116.25 114.29 3g5k h VAL 178 Ca -0.51 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 3g5k h VAL 178 Cb 1.30 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 3g5k h VAL 178 CO 0.57 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.91 3g5k n TYR 179 N -2.64 0.06 -4.71 5.19 4.11 -1.26 -4.65 117.16 113.27 3g5k n TYR 179 Ca 0.01 -0.03 -0.33 0.00 -0.00 0.00 0.00 57.90 57.55 3g5k n TYR 179 Cb 0.26 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.48 3g5k n TYR 179 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 3g5k s TRP 180 N -1.94 2.85 0.13 -3.48 0.52 -0.68 -5.12 118.94 111.23 3g5k s TRP 180 Ca 0.28 -0.04 -0.19 0.00 0.02 0.00 0.00 56.10 56.17 3g5k s TRP 180 Cb 0.14 -1.67 0.05 0.00 -1.15 0.00 0.00 33.47 30.83 3g5k s TRP 180 CO 0.22 0.29 0.48 0.00 0.02 0.00 0.00 176.95 177.96 3g5k s MET 181 N -0.83 1.15 0.16 4.98 0.23 -1.26 -4.81 119.30 118.92 3g5k s MET 181 Ca 0.12 -0.59 -0.20 0.00 -1.03 0.00 0.00 55.69 53.99 3g5k s MET 181 Cb -0.11 0.52 -0.08 0.00 -1.53 0.00 0.00 34.83 33.63 3g5k s MET 181 CO 0.02 -0.47 0.68 0.21 -2.03 0.00 0.00 175.02 173.42 3g5k s LYS 182 N -3.71 4.28 0.17 3.16 2.20 -1.26 -5.06 119.74 119.51 3g5k s LYS 182 Ca 0.02 0.86 0.02 0.00 -0.36 0.00 0.00 55.97 56.51 3g5k s LYS 182 Cb 0.01 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 33.22 3g5k s LYS 182 CO -0.12 0.51 -0.02 0.14 -0.36 0.00 0.00 175.35 175.50 3g5k s VAL 183 N -1.33 0.76 0.02 4.02 -7.23 -1.26 -5.14 120.40 110.24 3g5k s VAL 183 Ca 0.37 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.37 3g5k s VAL 183 Cb -0.19 -2.07 -0.06 0.00 0.56 0.00 0.00 36.38 34.63 3g5k s VAL 183 CO 0.21 -0.53 0.52 0.20 -0.31 0.00 0.00 175.10 175.20 3g5k s ASN 184 N -3.17 6.95 0.00 4.85 0.01 -1.26 -5.37 114.94 116.95 3g5k s ASN 184 Ca 0.22 1.12 0.29 0.00 -0.71 0.00 0.00 52.86 53.78 3g5k s ASN 184 Cb 0.06 -2.33 1.20 0.00 0.41 0.00 0.00 41.25 40.59 3g5k s ASN 184 CO 0.03 0.23 1.83 0.47 -1.51 0.00 0.00 177.10 178.15