#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 0.71 0.00 -0.41 1.00 -1.26 -5.15 119.30 114.19 3g5k s MET 4 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 55.69 54.60 3g5k s MET 4 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 34.83 34.59 3g5k s MET 4 CO 0.00 0.01 0.00 -1.13 0.00 0.00 0.00 175.02 173.90 3g5k n SER 5 N 0.58 0.00 -4.35 3.03 3.41 -1.26 -5.17 113.62 109.87 3g5k n SER 5 Ca -0.17 -0.76 -0.28 0.00 -0.26 0.00 0.00 58.87 57.41 3g5k n SER 5 Cb 0.58 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.40 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 -2.89 2.17 0.09 7.33 0.40 -1.26 -5.13 117.98 118.69 3g5k s PHE 6 Ca 0.00 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.99 3g5k s PHE 6 Cb 0.00 -1.21 -0.03 0.00 0.51 0.00 0.00 43.02 42.29 3g5k s PHE 6 CO 0.00 0.26 -0.13 -1.12 0.70 0.00 0.00 175.22 174.93 3g5k s SER 7 N -1.82 1.68 0.02 1.36 0.01 -1.26 -5.16 113.70 108.54 3g5k s SER 7 Ca 0.12 -0.72 0.01 0.00 1.31 0.00 0.00 55.95 56.66 3g5k s SER 7 Cb -0.10 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.08 3g5k s SER 7 CO 0.05 -0.15 -0.04 -1.38 0.41 0.00 0.00 173.24 172.13 3g5k s HIS 8 N -1.82 0.32 -0.29 2.43 -3.43 -1.26 -5.11 115.29 106.13 3g5k s HIS 8 Ca 0.03 -0.42 -0.18 0.00 -0.80 0.00 0.00 55.06 53.68 3g5k s HIS 8 Cb -0.07 -0.21 -0.02 0.00 -1.43 0.00 0.00 32.58 30.85 3g5k s HIS 8 CO 0.02 -0.13 0.54 0.08 -2.00 0.00 0.00 174.74 173.25 3g5k s VAL 9 N -1.16 5.03 0.48 -5.38 1.01 -1.26 -4.53 120.40 114.58 3g5k s VAL 9 Ca -0.11 0.78 -0.24 0.00 0.00 0.00 0.00 61.98 62.40 3g5k s VAL 9 Cb -0.08 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 3g5k s VAL 9 CO -0.01 -0.02 1.39 0.00 0.00 0.00 0.00 175.10 176.46 3g5k s GLN 11 N -2.58 2.61 0.25 0.00 -1.52 -1.26 -4.31 119.66 112.84 3g5k s GLN 11 Ca 0.64 -1.10 -0.31 0.00 -1.95 0.00 0.00 55.36 52.64 3g5k s GLN 11 Cb -0.42 -2.43 -0.12 0.00 -0.22 0.00 0.00 33.01 29.82 3g5k s GLN 11 CO 0.52 0.43 1.57 1.55 -0.25 0.00 0.00 175.29 179.12 3g5k n VAL 12 N -0.55 0.69 0.00 1.09 3.14 0.08 -1.56 118.33 121.22 3g5k n VAL 12 Ca -0.08 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 3g5k n VAL 12 Cb 0.56 -1.80 0.00 0.00 -1.06 0.00 0.00 33.84 31.54 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 2.66 2.84 3.67 7.55 0.00 -1.26 -5.08 105.19 115.56 3g5k n GLY 13 Ca 0.12 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.09 6.62 0.61 1.61 -1.08 -0.60 -4.89 116.67 118.85 3g5k s ASP 14 Ca 0.00 2.37 0.37 0.00 -0.52 0.00 0.00 52.55 54.77 3g5k s ASP 14 Cb 0.00 -2.54 1.99 0.00 -1.46 0.00 0.00 42.92 40.91 3g5k s ASP 14 CO 0.00 -0.94 2.25 1.55 0.52 0.00 0.00 175.17 178.55 3g5k h PRO 15 N 9.49 0.00 -0.23 4.34 0.13 -1.98 -2.01 132.00 141.73 3g5k h PRO 15 Ca -0.42 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.78 3g5k h PRO 15 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3g5k h PRO 15 CO 0.95 0.02 0.24 -0.24 -0.23 0.00 0.00 178.00 178.74 3g5k h VAL 16 N 0.00 0.49 0.00 1.56 3.04 -1.92 -1.18 116.25 118.24 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 0.12 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 3g5k h VAL 16 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.74 3g5k n LEU 17 N -3.85 0.71 -0.20 3.16 4.77 -0.76 -3.58 117.00 117.26 3g5k n LEU 17 Ca 0.03 0.57 0.06 0.00 -0.03 0.00 0.00 56.01 56.64 3g5k n LEU 17 Cb 0.38 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3g5k n LEU 17 CO 0.28 -0.17 0.15 0.54 -1.33 0.00 0.00 177.39 176.86 3g5k n ARG 18 N -2.17 2.19 -1.32 3.23 3.00 -0.47 -4.09 116.66 117.03 3g5k n ARG 18 Ca 0.06 -0.48 -0.29 0.00 -0.01 0.00 0.00 57.85 57.13 3g5k n ARG 18 Cb 0.41 -1.15 0.14 0.00 0.00 0.00 0.00 32.46 31.85 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 -1.83 1.60 -0.28 -0.13 0.00 -1.04 -4.53 107.32 101.12 3g5k s GLY 19 Ca 0.09 -0.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.46 3g5k s GLY 19 CO 0.39 0.28 0.23 0.14 0.00 0.00 0.00 173.10 174.15 3g5k s VAL 20 N -3.04 5.28 0.46 1.40 1.01 -1.26 -2.27 120.40 121.98 3g5k s VAL 20 Ca 0.63 0.26 -0.24 0.00 0.00 0.00 0.00 61.98 62.63 3g5k s VAL 20 Cb -0.17 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 3g5k s VAL 20 CO 0.56 0.23 1.27 0.00 0.00 0.00 0.00 175.10 177.16 3g5k s ALA 21 N 1.80 3.04 0.38 5.51 0.00 -0.50 -4.98 121.76 127.00 3g5k s ALA 21 Ca 0.09 1.16 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 3g5k s ALA 21 Cb -0.16 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.39 3g5k s ALA 21 CO 0.11 -0.92 0.89 0.00 0.00 0.00 0.00 175.76 175.84 3g5k s ALA 22 N -1.37 3.14 0.77 0.00 0.00 -0.16 -4.63 121.76 119.51 3g5k s ALA 22 Ca 0.63 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.80 3g5k s ALA 22 Cb -0.35 -3.06 0.06 0.00 0.00 0.00 0.00 23.12 19.77 3g5k s ALA 22 CO 0.44 0.19 1.17 -2.14 0.00 0.00 0.00 175.76 175.41 3g5k s PRO 23 N -2.88 1.96 -0.10 0.00 0.02 -1.26 -0.98 135.00 131.77 3g5k s PRO 23 Ca 0.57 1.59 -0.28 0.00 0.02 0.00 0.00 61.00 62.90 3g5k s PRO 23 Cb -0.11 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 3g5k s PRO 23 CO 0.16 -1.93 0.93 0.08 -0.33 0.00 0.00 177.00 175.91 3g5k s VAL 24 N -2.30 4.84 0.51 3.83 1.01 -1.26 -4.76 120.40 122.26 3g5k s VAL 24 Ca 0.70 1.89 -0.20 0.00 0.00 0.00 0.00 61.98 64.37 3g5k s VAL 24 Cb -0.25 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.81 3g5k s VAL 24 CO 0.49 0.05 1.10 -1.61 0.00 0.00 0.00 175.10 175.14 3g5k s GLU 25 N 1.79 3.60 0.42 2.72 0.41 -1.26 -4.93 118.70 121.45 3g5k s GLU 25 Ca 0.45 1.55 0.15 0.00 -0.41 0.00 0.00 54.97 56.71 3g5k s GLU 25 Cb -0.18 -2.12 1.02 0.00 -1.78 0.00 0.00 34.13 31.07 3g5k s GLU 25 CO 0.18 -0.63 1.93 -0.09 -0.49 0.00 0.00 175.26 176.15 3g5k h ARG 26 N 1.51 0.43 0.00 1.61 2.43 -1.97 0.20 114.38 118.58 3g5k h ARG 26 Ca -0.50 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.62 3g5k h ARG 26 Cb 1.24 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3g5k h ARG 26 CO 0.58 0.29 -0.11 0.00 -1.51 0.00 0.00 179.97 179.22 3g5k h ALA 27 N 1.65 1.25 0.00 2.80 0.00 -2.04 -1.94 119.26 120.98 3g5k h ALA 27 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3g5k h ALA 27 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3g5k h ALA 27 CO -0.12 0.14 -0.46 1.04 0.00 0.00 0.00 179.25 179.85 3g5k n GLN 28 N -3.58 0.16 -2.04 0.00 1.13 0.69 -4.83 117.38 108.91 3g5k n GLN 28 Ca -0.02 0.06 -0.38 0.00 -1.94 0.00 0.00 57.00 54.72 3g5k n GLN 28 Cb 0.24 -1.61 0.01 0.00 0.11 0.00 0.00 30.24 28.99 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 -3.70 4.02 0.00 1.08 1.43 -0.73 -1.81 118.68 118.96 3g5k s LEU 29 Ca 0.09 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.75 3g5k s LEU 29 Cb 0.15 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 42.22 3g5k s LEU 29 CO 0.68 -1.12 0.00 0.61 0.23 0.00 0.00 176.35 176.76 3g5k n GLY 30 N 0.60 1.49 3.90 -3.19 0.00 0.27 -4.94 105.19 103.32 3g5k n GLY 30 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 0.26 -0.02 0.00 -0.75 -4.90 107.32 101.53 3g5k s GLY 31 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.16 3g5k s GLY 31 CO 0.00 -0.21 1.66 -2.55 0.00 0.00 0.00 173.10 172.00 3g5k h PRO 32 N -0.56 0.45 -0.42 2.90 0.11 -1.95 -1.40 132.00 131.13 3g5k h PRO 32 Ca -0.45 -0.20 -0.07 0.00 0.11 0.00 0.00 66.00 65.38 3g5k h PRO 32 Cb 1.27 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3g5k h PRO 32 CO 0.63 0.75 -0.03 1.49 -0.21 0.00 0.00 178.00 180.63 3g5k h GLU 33 N 0.38 0.76 -0.43 1.05 4.81 -1.94 -0.23 114.58 118.99 3g5k h GLU 33 Ca 0.04 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 58.94 3g5k h GLU 33 Cb 0.81 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 3g5k h GLU 33 CO 0.07 0.85 -0.05 1.25 -0.73 0.00 0.00 179.01 180.39 3g5k h LEU 34 N 0.59 0.71 -0.76 1.64 5.85 -1.77 -1.09 115.31 120.48 3g5k h LEU 34 Ca 0.12 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3g5k h LEU 34 Cb 0.52 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3g5k h LEU 34 CO 0.03 0.81 0.43 -0.61 -0.34 0.00 0.00 178.44 178.75 3g5k h GLN 35 N 0.67 1.05 -0.72 1.25 -0.00 -0.99 -0.09 115.11 116.27 3g5k h GLN 35 Ca 0.13 -0.11 -0.05 0.00 -0.00 0.00 0.00 58.65 58.61 3g5k h GLN 35 Cb 0.50 -0.21 -0.03 0.00 0.00 0.00 0.00 27.48 27.73 3g5k h GLN 35 CO 0.03 0.77 0.24 0.00 0.00 0.00 0.00 178.83 179.86 3g5k h ARG 36 N 1.05 1.12 -0.28 1.69 3.08 -0.66 -0.98 114.38 119.39 3g5k h ARG 36 Ca 0.27 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3g5k h ARG 36 Cb 0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3g5k h ARG 36 CO -0.05 0.95 0.03 1.25 -1.07 0.00 0.00 179.97 181.08 3g5k h LEU 37 N 1.06 0.47 -0.82 3.04 5.85 -0.77 -1.79 115.31 122.35 3g5k h LEU 37 Ca 0.23 -0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 3g5k h LEU 37 Cb 0.29 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3g5k h LEU 37 CO -0.01 0.63 0.02 0.71 -0.34 0.00 0.00 178.44 179.45 3g5k h THR 38 N 0.29 1.25 -0.44 1.05 1.35 -0.88 -0.29 112.91 115.24 3g5k h THR 38 Ca 0.08 -1.04 -0.12 0.00 -0.55 0.00 0.00 66.41 64.78 3g5k h THR 38 Cb 0.37 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 3g5k h THR 38 CO 0.01 0.37 -0.21 1.56 -0.25 0.00 0.00 175.52 177.00 3g5k h GLN 39 N 0.84 0.89 -0.33 4.72 4.20 -1.10 -1.27 115.11 123.06 3g5k h GLN 39 Ca 0.16 -0.36 -0.04 0.00 0.06 0.00 0.00 58.65 58.47 3g5k h GLN 39 Cb 0.47 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3g5k h GLN 39 CO 0.02 1.01 0.05 -0.09 -0.67 0.00 0.00 178.83 179.15 3g5k h ARG 40 N 0.77 0.54 -0.19 1.46 9.65 -1.05 -0.04 114.38 125.52 3g5k h ARG 40 Ca 0.10 -0.15 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 3g5k h ARG 40 Cb 0.76 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.24 3g5k h ARG 40 CO 0.06 0.63 -0.02 -0.07 2.80 0.00 0.00 179.97 183.37 3g5k h LEU 41 N 0.37 -0.12 -0.80 3.80 3.38 -0.86 -0.65 115.31 120.44 3g5k h LEU 41 Ca 0.10 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3g5k h LEU 41 Cb 0.35 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3g5k h LEU 41 CO 0.01 -0.03 0.29 0.58 0.09 0.00 0.00 178.44 179.37 3g5k h VAL 42 N 0.04 1.26 -0.66 1.22 2.07 -1.02 -0.49 116.25 118.67 3g5k h VAL 42 Ca 0.09 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3g5k h VAL 42 Cb 0.13 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3g5k h VAL 42 CO -0.17 0.35 0.39 1.56 0.02 0.00 0.00 177.57 179.72 3g5k h GLN 43 N 1.14 0.90 -0.25 1.57 4.20 -0.74 -1.00 115.11 120.94 3g5k h GLN 43 Ca 0.26 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 3g5k h GLN 43 Cb 0.25 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3g5k h GLN 43 CO -0.02 0.65 -0.21 0.28 -0.67 0.00 0.00 178.83 178.86 3g5k h VAL 44 N 0.90 1.31 -0.57 -0.54 2.07 -0.92 0.45 116.25 118.95 3g5k h VAL 44 Ca 0.24 -1.35 0.08 0.00 0.82 0.00 0.00 66.70 66.48 3g5k h VAL 44 Cb -0.02 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 3g5k h VAL 44 CO -0.04 0.42 0.22 -0.03 0.02 0.00 0.00 177.57 178.16 3g5k h MET 45 N 0.31 0.40 -0.36 1.57 1.85 -1.00 -0.67 114.93 117.03 3g5k h MET 45 Ca 0.05 -0.02 -0.13 0.00 -0.61 0.00 0.00 59.70 58.98 3g5k h MET 45 Cb 0.75 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.68 3g5k h MET 45 CO 0.05 0.26 -0.31 0.00 -0.40 0.00 0.00 176.91 176.51 3g5k h ARG 46 N 0.41 0.79 -0.86 0.39 3.08 -1.00 -2.43 114.38 114.76 3g5k h ARG 46 Ca 0.28 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3g5k h ARG 46 Cb 0.32 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 3g5k h ARG 46 CO -0.27 0.99 0.49 -0.09 -1.07 0.00 0.00 179.97 180.01 3g5k h ARG 47 N 0.66 1.19 -0.02 0.04 9.65 -0.57 -2.67 114.38 122.65 3g5k h ARG 47 Ca 0.07 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3g5k h ARG 47 Cb 0.85 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 3g5k h ARG 47 CO 0.07 0.86 0.00 0.54 2.80 0.00 0.00 179.97 184.24 3g5k n ARG 48 N -4.39 1.37 -3.97 0.20 5.12 -0.29 -4.94 116.66 109.77 3g5k n ARG 48 Ca 0.09 -0.54 -0.30 0.00 -1.93 0.00 0.00 57.85 55.17 3g5k n ARG 48 Cb 0.08 -1.47 0.01 0.00 -1.16 0.00 0.00 32.46 29.93 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 -0.33 -4.75 -3.66 5.56 3.00 -0.95 -4.99 116.66 110.54 3g5k n ARG 49 Ca 0.20 0.53 -0.21 0.00 -0.01 0.00 0.00 57.85 58.37 3g5k n ARG 49 Cb 0.24 -5.29 -0.03 0.00 0.00 0.00 0.00 32.46 27.37 3g5k n ARG 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3g5k n VAL 51 N -1.48 0.00 -3.62 0.00 0.24 -1.26 -4.66 118.33 107.55 3g5k n VAL 51 Ca 0.02 -0.41 -0.11 0.00 -2.04 0.00 0.00 64.34 61.79 3g5k n VAL 51 Cb 0.61 1.14 -0.05 0.00 -1.47 0.00 0.00 33.84 34.07 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 -1.27 -0.31 -0.11 7.63 0.00 -1.26 -0.92 107.32 111.07 3g5k s GLY 52 Ca 0.09 0.11 -0.29 0.00 0.00 0.00 0.00 44.72 44.63 3g5k s GLY 52 CO 0.23 -0.16 0.70 -2.27 0.00 0.00 0.00 173.10 171.60 3g5k s LEU 53 N -2.59 -0.68 0.14 0.66 2.96 -0.68 -4.97 118.68 113.52 3g5k s LEU 53 Ca 0.01 0.92 0.09 0.00 -0.22 0.00 0.00 54.13 54.93 3g5k s LEU 53 Cb 0.01 2.51 -0.04 0.00 0.50 0.00 0.00 46.19 49.17 3g5k s LEU 53 CO -0.10 -0.50 -0.21 -0.94 -1.32 0.00 0.00 176.35 173.28 3g5k s SER 54 N -0.74 2.77 0.29 3.68 1.04 -1.26 -0.92 113.70 118.56 3g5k s SER 54 Ca -0.08 -0.78 0.02 0.00 0.48 0.00 0.00 55.95 55.59 3g5k s SER 54 Cb -0.01 -0.17 0.58 0.00 0.10 0.00 0.00 66.02 66.51 3g5k s SER 54 CO 0.07 0.04 1.84 0.00 0.98 0.00 0.00 173.24 176.17 3g5k h ALA 55 N 3.63 1.55 -0.26 5.32 0.00 -1.20 -1.30 119.26 127.00 3g5k h ALA 55 Ca -0.45 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.55 3g5k h ALA 55 Cb 1.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3g5k h ALA 55 CO 0.45 0.21 0.21 -1.35 0.00 0.00 0.00 179.25 178.77 3g5k h PRO 56 N 0.97 0.00 0.00 0.00 0.11 -1.41 0.90 132.00 132.57 3g5k h PRO 56 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 3g5k h PRO 56 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3g5k h PRO 56 CO -0.26 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.49 3g5k h GLN 57 N 0.00 0.00 -0.59 1.05 4.20 -1.51 -0.79 115.11 117.47 3g5k h GLN 57 Ca 0.12 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 3g5k h GLN 57 Cb 0.54 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.26 3g5k h GLN 57 CO -0.00 0.00 0.12 1.28 -0.67 0.00 0.00 178.83 179.56 3g5k n LEU 58 N -2.32 5.57 0.00 1.46 4.77 0.20 -0.54 117.00 126.15 3g5k n LEU 58 Ca 0.04 -3.11 0.00 0.00 -0.03 0.00 0.00 56.01 52.91 3g5k n LEU 58 Cb 0.35 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3g5k n LEU 58 CO 0.26 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 3g5k n GLY 59 N 0.03 0.55 3.16 -0.72 0.00 -0.30 -4.97 105.19 102.94 3g5k n GLY 59 Ca 0.33 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 2.85 -1.42 1.61 1.01 -0.56 -4.96 120.40 116.92 3g5k s VAL 60 Ca 0.00 -1.37 -0.09 0.00 0.00 0.00 0.00 61.98 60.51 3g5k s VAL 60 Cb 0.00 -2.62 0.06 0.00 0.00 0.00 0.00 36.38 33.82 3g5k s VAL 60 CO 0.00 -0.06 2.40 -0.81 0.00 0.00 0.00 175.10 176.64 3g5k n PRO 61 N 4.60 3.81 -4.23 2.72 -0.04 -1.26 -1.34 135.00 139.26 3g5k n PRO 61 Ca -0.14 -2.97 -0.19 0.00 -0.04 0.00 0.00 63.50 60.17 3g5k n PRO 61 Cb 0.44 -2.86 -0.11 0.00 -0.04 0.00 0.00 33.50 30.92 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 0.91 0.97 -1.29 0.54 0.52 -1.26 -0.99 118.95 118.35 3g5k s ARG 62 Ca 0.54 -1.15 -0.17 0.00 -0.52 0.00 0.00 55.73 54.43 3g5k s ARG 62 Cb 0.16 -0.93 0.09 0.00 0.52 0.00 0.00 34.95 34.78 3g5k s ARG 62 CO -0.06 0.19 1.71 1.04 0.02 0.00 0.00 175.30 178.20 3g5k n GLN 63 N 0.81 3.22 -3.82 3.54 6.02 -0.15 -4.38 117.38 122.62 3g5k n GLN 63 Ca -0.18 -3.36 -0.14 0.00 -0.01 0.00 0.00 57.00 53.32 3g5k n GLN 63 Cb 0.56 -3.40 -0.15 0.00 1.02 0.00 0.00 30.24 28.27 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 3.63 -0.03 0.08 5.09 1.01 -1.26 -0.56 120.40 128.36 3g5k s VAL 64 Ca 0.51 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 3g5k s VAL 64 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 36.38 36.36 3g5k s VAL 64 CO 0.06 0.05 0.16 -1.48 0.00 0.00 0.00 175.10 173.88 3g5k s LEU 65 N 0.54 1.58 0.10 3.92 0.05 -0.25 -0.82 118.68 123.80 3g5k s LEU 65 Ca -0.04 -0.68 0.04 0.00 0.05 0.00 0.00 54.13 53.50 3g5k s LEU 65 Cb -0.07 0.90 -0.04 0.00 -2.05 0.00 0.00 46.19 44.94 3g5k s LEU 65 CO -0.01 -0.69 -0.11 0.00 -0.55 0.00 0.00 176.35 174.98 3g5k s ALA 66 N -3.74 1.19 -0.05 1.48 0.00 -0.10 -0.79 121.76 119.76 3g5k s ALA 66 Ca 0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 3g5k s ALA 66 Cb 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.18 3g5k s ALA 66 CO -0.10 0.01 0.12 -0.51 0.00 0.00 0.00 175.76 175.28 3g5k s LEU 67 N -2.35 1.40 -0.28 0.00 1.43 -0.18 -1.69 118.68 117.00 3g5k s LEU 67 Ca 0.05 0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 53.20 3g5k s LEU 67 Cb -0.04 0.36 0.12 0.00 0.03 0.00 0.00 46.19 46.66 3g5k s LEU 67 CO 0.01 -0.06 0.92 -0.70 0.23 0.00 0.00 176.35 176.74 3g5k s GLU 68 N 0.30 0.50 -0.42 1.70 2.12 -0.10 -1.17 118.70 121.65 3g5k s GLU 68 Ca -0.02 0.78 0.02 0.00 0.36 0.00 0.00 54.97 56.11 3g5k s GLU 68 Cb -0.03 0.15 0.13 0.00 0.26 0.00 0.00 34.13 34.64 3g5k s GLU 68 CO -0.01 -0.09 0.22 -1.17 -0.54 0.00 0.00 175.26 173.67 3g5k s LEU 69 N 1.07 2.45 0.75 2.70 2.96 -0.53 -4.33 118.68 123.74 3g5k s LEU 69 Ca -0.06 -2.48 -0.13 0.00 -0.22 0.00 0.00 54.13 51.24 3g5k s LEU 69 Cb -0.04 -0.94 0.05 0.00 0.50 0.00 0.00 46.19 45.75 3g5k s LEU 69 CO -0.13 -0.29 1.14 -2.84 -1.32 0.00 0.00 176.35 172.92 3g5k s PRO 70 N 0.55 2.18 0.25 0.98 0.02 -1.26 -1.42 135.00 136.31 3g5k s PRO 70 Ca 0.17 1.47 -0.03 0.00 0.02 0.00 0.00 61.00 62.63 3g5k s PRO 70 Cb -0.24 -1.87 0.44 0.00 0.02 0.00 0.00 34.50 32.86 3g5k s PRO 70 CO -0.01 -1.75 1.80 1.49 -0.33 0.00 0.00 177.00 178.20 3g5k h GLU 71 N -0.65 0.73 -0.25 5.54 4.81 -1.96 -0.82 114.58 121.98 3g5k h GLU 71 Ca -0.46 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.66 3g5k h GLU 71 Cb 1.26 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 3g5k h GLU 71 CO 0.50 0.48 -0.13 0.00 -0.73 0.00 0.00 179.01 179.13 3g5k h ALA 72 N 1.49 0.35 -0.60 2.92 0.00 -1.98 0.86 119.26 122.30 3g5k h ALA 72 Ca 0.42 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3g5k h ALA 72 Cb 0.45 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3g5k h ALA 72 CO -0.28 0.22 0.25 1.25 0.00 0.00 0.00 179.25 180.69 3g5k h LEU 73 N 0.25 0.82 -0.89 0.00 5.85 -1.89 -1.36 115.31 118.09 3g5k h LEU 73 Ca 0.05 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.71 3g5k h LEU 73 Cb 0.64 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 3g5k h LEU 73 CO 0.04 0.76 0.53 0.00 -0.34 0.00 0.00 178.44 179.43 3g5k n ARG 75 N -4.69 0.27 0.23 0.00 1.74 0.27 -2.07 116.66 112.41 3g5k n ARG 75 Ca 0.15 0.03 0.07 0.00 -0.77 0.00 0.00 57.85 57.34 3g5k n ARG 75 Cb 0.29 -1.50 0.54 0.00 -1.02 0.00 0.00 32.46 30.78 3g5k n ARG 75 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3g5k h GLU 76 N 0.00 0.00 -6.29 5.56 5.08 -0.99 -3.42 114.58 114.53 3g5k h GLU 76 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3g5k h GLU 76 Cb 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3g5k h GLU 76 CO 0.00 0.20 0.23 0.00 -1.00 0.00 0.00 179.01 178.44 3g5k s PRO 78 N 0.57 3.15 0.34 0.00 0.04 -1.26 -4.68 135.00 133.17 3g5k s PRO 78 Ca 0.44 2.20 0.10 0.00 0.04 0.00 0.00 61.00 63.77 3g5k s PRO 78 Cb -0.20 -2.25 0.84 0.00 0.04 0.00 0.00 34.50 32.93 3g5k s PRO 78 CO 0.24 -1.17 1.81 -1.00 0.04 0.00 0.00 177.00 176.93 3g5k h PRO 79 N 1.46 0.65 -0.30 0.56 0.13 -1.95 0.64 132.00 133.18 3g5k h PRO 79 Ca -0.51 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.51 3g5k h PRO 79 Cb 1.30 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3g5k h PRO 79 CO 0.57 0.43 -0.09 -0.09 -0.23 0.00 0.00 178.00 178.59 3g5k h ARG 80 N 0.67 0.58 -0.20 0.86 2.43 -1.99 0.22 114.38 116.95 3g5k h ARG 80 Ca 0.53 -0.23 -0.12 0.00 -0.81 0.00 0.00 59.98 59.35 3g5k h ARG 80 Cb 0.94 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 3g5k h ARG 80 CO -0.29 0.79 -0.39 0.37 -1.51 0.00 0.00 179.97 178.94 3g5k h GLN 81 N 0.35 0.44 -0.56 0.20 4.15 -1.61 -1.54 115.11 116.54 3g5k h GLN 81 Ca 0.07 -0.21 -0.08 0.00 0.77 0.00 0.00 58.65 59.20 3g5k h GLN 81 Cb 0.58 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 3g5k h GLN 81 CO 0.03 0.76 0.04 0.00 -1.93 0.00 0.00 178.83 177.73 3g5k h ARG 82 N 0.37 0.96 -0.36 1.69 3.08 -0.37 -1.23 114.38 118.52 3g5k h ARG 82 Ca 0.04 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.71 3g5k h ARG 82 Cb 0.85 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3g5k h ARG 82 CO 0.07 0.95 -0.11 0.00 -1.07 0.00 0.00 179.97 179.81 3g5k h ALA 83 N 0.98 0.50 -0.27 0.04 0.00 -0.48 -0.43 119.26 119.59 3g5k h ALA 83 Ca 0.16 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3g5k h ALA 83 Cb 0.49 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3g5k h ALA 83 CO 0.02 0.37 0.09 1.25 0.00 0.00 0.00 179.25 180.98 3g5k h LEU 84 N 0.50 0.09 -0.11 0.00 5.85 -1.14 -2.04 115.31 118.46 3g5k h LEU 84 Ca 0.09 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3g5k h LEU 84 Cb 0.63 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3g5k h LEU 84 CO 0.04 0.09 -0.00 0.54 -0.34 0.00 0.00 178.44 178.76 3g5k n ARG 85 N -5.04 1.03 -3.72 1.25 1.74 -0.48 -4.92 116.66 106.53 3g5k n ARG 85 Ca -0.01 -0.11 -0.22 0.00 -0.77 0.00 0.00 57.85 56.75 3g5k n ARG 85 Cb 0.10 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.07 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 -0.89 -4.87 -3.51 5.56 6.02 -0.38 -2.47 117.38 116.84 3g5k n GLN 86 Ca 0.23 0.61 -0.37 0.00 -0.01 0.00 0.00 57.00 57.45 3g5k n GLN 86 Cb 0.15 -5.16 -0.08 0.00 1.02 0.00 0.00 30.24 26.16 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 -6.03 4.16 0.04 -1.09 1.75 -0.31 -2.28 119.30 115.54 3g5k s MET 87 Ca 0.03 0.03 -0.03 0.00 -1.25 0.00 0.00 55.69 54.47 3g5k s MET 87 Cb -0.02 -3.52 -0.02 0.00 2.84 0.00 0.00 34.83 34.12 3g5k s MET 87 CO 0.82 0.05 0.03 -1.21 -0.65 0.00 0.00 175.02 174.06 3g5k s GLU 88 N 1.07 0.57 0.68 4.11 2.02 -1.26 -4.80 118.70 121.10 3g5k s GLU 88 Ca 0.15 -0.94 -0.12 0.00 0.02 0.00 0.00 54.97 54.08 3g5k s GLU 88 Cb -0.14 0.21 0.01 0.00 0.10 0.00 0.00 34.13 34.31 3g5k s GLU 88 CO 0.06 -0.13 1.07 -2.14 0.02 0.00 0.00 175.26 174.14 3g5k s PRO 89 N -3.07 2.91 0.09 0.39 0.02 -1.26 -4.89 135.00 129.19 3g5k s PRO 89 Ca -0.01 1.05 -0.17 0.00 0.02 0.00 0.00 61.00 61.89 3g5k s PRO 89 Cb 0.02 -1.98 0.04 0.00 0.02 0.00 0.00 34.50 32.59 3g5k s PRO 89 CO -0.07 -1.12 0.41 -0.59 -0.33 0.00 0.00 177.00 175.30 3g5k s PHE 90 N -2.88 -0.24 0.81 6.54 -0.71 -0.50 -4.99 117.98 116.01 3g5k s PHE 90 Ca 0.60 0.06 -0.10 0.00 -1.04 0.00 0.00 56.93 56.45 3g5k s PHE 90 Cb -0.15 0.24 0.12 0.00 -1.21 0.00 0.00 43.02 42.03 3g5k s PHE 90 CO 0.51 -0.64 1.15 -1.25 -1.34 0.00 0.00 175.22 173.64 3g5k s PRO 91 N -3.16 1.53 0.20 1.99 0.04 -1.26 -1.45 135.00 132.88 3g5k s PRO 91 Ca -0.01 -0.39 -0.31 0.00 0.04 0.00 0.00 61.00 60.33 3g5k s PRO 91 Cb 0.01 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 3g5k s PRO 91 CO -0.07 -1.75 1.48 -1.17 0.04 0.00 0.00 177.00 175.53 3g5k s LEU 92 N -5.51 4.38 -0.00 -3.56 2.96 -1.26 -4.55 118.68 111.14 3g5k s LEU 92 Ca 0.66 2.60 0.03 0.00 -0.22 0.00 0.00 54.13 57.20 3g5k s LEU 92 Cb -0.07 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 3g5k s LEU 92 CO 0.48 -0.74 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.55 3g5k s ARG 93 N 0.39 0.72 -0.09 1.98 0.52 -0.31 -5.01 118.95 117.15 3g5k s ARG 93 Ca 0.64 -0.36 0.04 0.00 -0.52 0.00 0.00 55.73 55.53 3g5k s ARG 93 Cb -0.42 -0.69 -0.00 0.00 0.52 0.00 0.00 34.95 34.35 3g5k s ARG 93 CO 0.37 0.19 -0.24 0.08 0.02 0.00 0.00 175.30 175.72 3g5k s VAL 94 N -0.29 2.07 -0.03 3.52 1.01 -1.26 -1.01 120.40 124.40 3g5k s VAL 94 Ca 0.03 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.05 3g5k s VAL 94 Cb -0.04 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 3g5k s VAL 94 CO -0.00 0.56 -0.22 -0.36 0.00 0.00 0.00 175.10 175.08 3g5k s PHE 95 N 0.22 2.45 -0.04 5.22 0.40 0.03 -4.41 117.98 121.86 3g5k s PHE 95 Ca -0.15 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 55.84 3g5k s PHE 95 Cb -0.17 -1.55 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 3g5k s PHE 95 CO 0.08 -0.01 -0.25 0.08 0.70 0.00 0.00 175.22 175.83 3g5k s VAL 96 N -0.57 1.97 -1.34 -0.44 1.01 0.77 -1.09 120.40 120.72 3g5k s VAL 96 Ca 0.08 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 3g5k s VAL 96 Cb -0.11 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.64 3g5k s VAL 96 CO 0.00 0.55 0.45 0.59 0.00 0.00 0.00 175.10 176.70 3g5k n ASN 97 N 2.69 -2.05 -4.86 3.32 3.02 0.28 -0.86 115.26 116.79 3g5k n ASN 97 Ca -0.17 -1.19 -0.31 0.00 -0.03 0.00 0.00 54.58 52.88 3g5k n ASN 97 Cb 0.52 -2.23 -0.02 0.00 -0.61 0.00 0.00 39.78 37.44 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 -6.99 3.79 0.18 3.52 0.04 -1.26 -4.59 135.00 129.70 3g5k s PRO 98 Ca 0.25 0.83 0.07 0.00 0.04 0.00 0.00 61.00 62.18 3g5k s PRO 98 Cb -0.12 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 3g5k s PRO 98 CO 0.94 -0.37 -0.13 -1.54 0.04 0.00 0.00 177.00 175.94 3g5k s SER 99 N -3.54 2.31 -0.05 6.66 1.04 0.60 -4.96 113.70 115.76 3g5k s SER 99 Ca 0.57 -1.02 0.05 0.00 0.48 0.00 0.00 55.95 56.03 3g5k s SER 99 Cb -0.10 -0.09 -0.00 0.00 0.10 0.00 0.00 66.02 65.92 3g5k s SER 99 CO 0.40 -0.22 -0.19 -0.22 0.98 0.00 0.00 173.24 174.00 3g5k s LEU 100 N -3.26 1.94 -0.05 2.42 2.96 -1.26 -1.33 118.68 120.10 3g5k s LEU 100 Ca 0.20 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3g5k s LEU 100 Cb 0.00 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.63 3g5k s LEU 100 CO 0.05 0.17 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.92 3g5k s ARG 101 N 0.02 2.03 -0.04 1.98 0.52 -0.11 -4.99 118.95 118.36 3g5k s ARG 101 Ca -0.04 -0.71 -0.23 0.00 -0.52 0.00 0.00 55.73 54.22 3g5k s ARG 101 Cb -0.12 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.55 3g5k s ARG 101 CO 0.03 0.30 0.69 0.08 0.02 0.00 0.00 175.30 176.41 3g5k s VAL 102 N -0.05 4.97 -0.13 3.52 1.01 -1.26 -0.60 120.40 127.86 3g5k s VAL 102 Ca -0.03 1.43 0.14 0.00 0.00 0.00 0.00 61.98 63.52 3g5k s VAL 102 Cb -0.12 -4.03 -0.20 0.00 0.00 0.00 0.00 36.38 32.03 3g5k s VAL 102 CO 0.03 0.30 0.10 0.18 0.00 0.00 0.00 175.10 175.71 3g5k n LEU 103 N 3.43 0.00 -3.57 3.92 4.77 0.09 -4.87 117.00 120.77 3g5k n LEU 103 Ca -0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.72 3g5k n LEU 103 Cb 0.51 0.32 -0.16 0.00 -2.33 0.00 0.00 43.42 41.76 3g5k n LEU 103 CO 0.46 0.32 -0.29 -0.62 -1.33 0.00 0.00 177.39 175.94 3g5k s ASP 104 N -4.73 1.96 0.00 -1.43 -1.08 -0.68 -4.95 116.67 105.76 3g5k s ASP 104 Ca -0.07 -0.45 0.20 0.00 -0.52 0.00 0.00 52.55 51.71 3g5k s ASP 104 Cb 0.05 -0.02 1.02 0.00 -1.46 0.00 0.00 42.92 42.51 3g5k s ASP 104 CO 0.64 -0.34 1.68 -1.54 0.52 0.00 0.00 175.17 176.12 3g5k n SER 105 N 5.29 0.54 -4.74 -0.34 3.41 -1.26 -2.59 113.62 113.94 3g5k n SER 105 Ca -0.06 -1.50 -0.42 0.00 -0.26 0.00 0.00 58.87 56.63 3g5k n SER 105 Cb 0.49 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 3g5k n SER 105 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3g5k n ARG 106 N -0.43 2.49 -3.69 4.33 0.63 -1.26 -4.74 116.66 113.98 3g5k n ARG 106 Ca 0.15 0.88 -0.33 0.00 -0.92 0.00 0.00 57.85 57.62 3g5k n ARG 106 Cb 0.15 -2.58 -0.05 0.00 0.45 0.00 0.00 32.46 30.43 3g5k n ARG 106 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3g5k s LEU 107 N -1.14 4.33 -0.04 6.15 1.43 -1.26 -0.44 118.68 127.72 3g5k s LEU 107 Ca 0.58 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 54.32 3g5k s LEU 107 Cb -0.52 -2.97 0.01 0.00 0.03 0.00 0.00 46.19 42.74 3g5k s LEU 107 CO 0.58 0.16 -0.07 -0.69 0.23 0.00 0.00 176.35 176.56 3g5k s VAL 108 N -1.45 0.65 -0.16 -1.59 1.01 0.32 -4.90 120.40 114.29 3g5k s VAL 108 Ca 0.34 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3g5k s VAL 108 Cb -0.13 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.63 3g5k s VAL 108 CO 0.20 0.23 -0.18 -0.89 0.00 0.00 0.00 175.10 174.46 3g5k s THR 109 N 0.57 2.34 0.16 3.92 2.01 -1.26 -0.71 115.64 122.67 3g5k s THR 109 Ca -0.08 -0.87 -0.10 0.00 0.31 0.00 0.00 61.69 60.95 3g5k s THR 109 Cb -0.12 -1.98 -0.00 0.00 0.01 0.00 0.00 72.50 70.41 3g5k s THR 109 CO 0.01 0.53 0.30 -0.36 -0.69 0.00 0.00 174.62 174.41 3g5k s PHE 110 N 1.00 0.30 0.31 4.92 0.08 -1.22 -4.93 117.98 118.45 3g5k s PHE 110 Ca -0.02 -0.67 -0.29 0.00 0.12 0.00 0.00 56.93 56.08 3g5k s PHE 110 Cb -0.15 0.00 -0.10 0.00 -0.57 0.00 0.00 43.02 42.21 3g5k s PHE 110 CO -0.05 -0.72 1.20 -2.14 -0.10 0.00 0.00 175.22 173.42 3g5k s PRO 111 N -3.94 4.47 0.17 0.24 0.02 -1.26 -1.45 135.00 133.25 3g5k s PRO 111 Ca 0.15 2.01 -0.03 0.00 0.02 0.00 0.00 61.00 63.14 3g5k s PRO 111 Cb 0.03 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.41 3g5k s PRO 111 CO -0.02 -0.01 0.15 -1.83 -0.33 0.00 0.00 177.00 174.96 3g5k s GLU 112 N -1.66 1.12 0.35 5.54 -1.05 -0.17 -4.92 118.70 117.90 3g5k s GLU 112 Ca 0.47 -1.47 0.06 0.00 -0.15 0.00 0.00 54.97 53.88 3g5k s GLU 112 Cb -0.36 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.59 3g5k s GLU 112 CO 0.47 -0.37 0.23 0.20 0.95 0.00 0.00 175.26 176.74 3g5k s GLY 113 N -3.08 2.37 -0.04 -3.83 0.00 -1.26 -1.28 107.32 100.20 3g5k s GLY 113 Ca 0.29 -1.80 -0.03 0.00 0.00 0.00 0.00 44.72 43.18 3g5k s GLY 113 CO 0.06 -1.58 0.11 0.00 0.00 0.00 0.00 173.10 171.69 3g5k h GLU 115 N 6.19 0.00 -0.05 0.00 4.39 -1.96 -1.59 114.58 121.56 3g5k h GLU 115 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 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 0.44 0.07 0.00 0.43 -1.16 0.00 0.00 179.01 178.79 3g5k n SER 116 N -3.46 0.78 -3.01 1.42 7.64 -1.26 -3.92 113.62 111.81 3g5k n SER 116 Ca -0.02 -1.41 -0.22 0.00 1.01 0.00 0.00 58.87 58.23 3g5k n SER 116 Cb 0.20 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.33 1.39 -1.65 0.44 0.31 -0.60 -0.74 118.33 117.16 3g5k n VAL 117 Ca 0.18 -4.92 -0.47 0.00 -0.01 0.00 0.00 64.34 59.12 3g5k n VAL 117 Cb 0.21 -0.72 -0.05 0.00 -0.91 0.00 0.00 33.84 32.37 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 -0.00 0.77 -0.21 3.52 0.00 -1.23 -3.12 120.51 120.23 3g5k n ALA 118 Ca 0.27 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.17 3g5k n ALA 118 Cb 0.56 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 3.11 0.76 3.35 0.00 0.00 -1.26 -5.07 105.19 106.09 3g5k n GLY 119 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.19 1.80 0.11 1.61 0.08 -1.18 -1.02 117.98 117.19 3g5k s PHE 120 Ca 0.00 -0.51 0.04 0.00 0.12 0.00 0.00 56.93 56.58 3g5k s PHE 120 Cb 0.00 -0.85 -0.04 0.00 -0.57 0.00 0.00 43.02 41.56 3g5k s PHE 120 CO 0.00 0.38 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.90 3g5k s LEU 121 N -3.09 2.46 0.03 -0.37 1.43 -0.33 -4.36 118.68 114.45 3g5k s LEU 121 Ca 0.21 -0.90 -0.24 0.00 -1.03 0.00 0.00 54.13 52.17 3g5k s LEU 121 Cb -0.03 -0.28 0.05 0.00 0.03 0.00 0.00 46.19 45.97 3g5k s LEU 121 CO 0.08 -0.31 0.54 0.00 0.23 0.00 0.00 176.35 176.88 3g5k s ALA 122 N -2.87 -1.39 0.30 4.21 0.00 -0.40 -0.85 121.76 120.76 3g5k s ALA 122 Ca 0.09 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 3g5k s ALA 122 Cb -0.00 0.33 -0.10 0.00 0.00 0.00 0.00 23.12 23.35 3g5k s ALA 122 CO -0.01 -0.49 1.15 0.00 0.00 0.00 0.00 175.76 176.42 3g5k s VAL 124 N -1.18 0.19 0.30 0.00 1.01 -0.53 -1.06 120.40 119.13 3g5k s VAL 124 Ca 0.46 0.05 -0.28 0.00 0.00 0.00 0.00 61.98 62.21 3g5k s VAL 124 Cb -0.34 -0.27 -0.09 0.00 0.00 0.00 0.00 36.38 35.68 3g5k s VAL 124 CO 0.44 0.14 1.03 -2.16 0.00 0.00 0.00 175.10 174.54 3g5k s PRO 125 N 0.87 4.59 0.04 2.72 0.04 -1.26 -3.37 135.00 138.63 3g5k s PRO 125 Ca -0.09 1.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.53 3g5k s PRO 125 Cb -0.12 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 3g5k s PRO 125 CO -0.01 0.22 0.04 1.03 0.04 0.00 0.00 177.00 178.31 3g5k s ARG 126 N -1.67 0.54 0.58 4.56 1.81 0.12 -4.89 118.95 120.00 3g5k s ARG 126 Ca 0.47 -0.85 -0.19 0.00 -1.72 0.00 0.00 55.73 53.44 3g5k s ARG 126 Cb -0.27 0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.39 3g5k s ARG 126 CO 0.34 -0.12 1.19 -0.06 -0.68 0.00 0.00 175.30 175.97 3g5k s PHE 127 N -2.73 2.46 0.28 -0.53 2.99 -1.26 -0.52 117.98 118.67 3g5k s PHE 127 Ca -0.04 1.52 0.10 0.00 0.00 0.00 0.00 56.93 58.51 3g5k s PHE 127 Cb -0.01 -3.43 0.40 0.00 0.00 0.00 0.00 43.02 39.98 3g5k s PHE 127 CO -0.05 -2.06 1.64 0.37 -0.00 0.00 0.00 175.22 175.12 3g5k h GLN 128 N 0.94 0.05 -2.83 0.44 5.75 -0.48 -3.42 115.11 115.56 3g5k h GLN 128 Ca -0.50 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 57.83 3g5k h GLN 128 Cb 1.29 0.00 -0.25 0.00 1.07 0.00 0.00 27.48 29.59 3g5k h GLN 128 CO 0.55 0.61 -0.29 0.00 -2.65 0.00 0.00 178.83 177.05 3g5k s ALA 129 N -3.74 -0.91 0.16 3.38 0.00 -1.08 -0.68 121.76 118.88 3g5k s ALA 129 Ca -0.02 1.08 -0.02 0.00 0.00 0.00 0.00 51.96 53.00 3g5k s ALA 129 Cb 0.13 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 3g5k s ALA 129 CO 0.76 -0.18 0.11 0.14 0.00 0.00 0.00 175.76 176.59 3g5k s VAL 130 N 0.33 0.06 -0.09 0.00 -7.23 -0.60 -0.73 120.40 112.14 3g5k s VAL 130 Ca -0.01 -1.89 0.04 0.00 -1.81 0.00 0.00 61.98 58.31 3g5k s VAL 130 Cb -0.03 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.70 3g5k s VAL 130 CO -0.01 -0.26 -0.22 -1.58 -0.31 0.00 0.00 175.10 172.72 3g5k s GLN 131 N -4.08 2.70 -0.14 4.82 0.74 0.23 -0.89 119.66 123.04 3g5k s GLN 131 Ca 0.29 -0.80 -0.06 0.00 0.05 0.00 0.00 55.36 54.84 3g5k s GLN 131 Cb 0.07 -2.10 -0.04 0.00 1.10 0.00 0.00 33.01 32.04 3g5k s GLN 131 CO 0.06 0.19 0.08 -1.50 -0.55 0.00 0.00 175.29 173.56 3g5k s ILE 132 N 0.31 4.96 0.02 -2.34 2.07 -0.04 -0.94 121.20 125.23 3g5k s ILE 132 Ca -0.15 0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.14 3g5k s ILE 132 Cb -0.17 -3.18 -0.02 0.00 0.13 0.00 0.00 42.46 39.23 3g5k s ILE 132 CO 0.07 0.55 -0.11 -0.94 -1.91 0.00 0.00 174.94 172.60 3g5k s SER 133 N -0.42 1.35 0.00 4.50 1.04 -0.44 -0.96 113.70 118.76 3g5k s SER 133 Ca 0.10 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.18 3g5k s SER 133 Cb -0.12 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.90 3g5k s SER 133 CO 0.02 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.89 3g5k n GLY 134 N 2.24 1.56 3.67 7.32 0.00 -0.13 -0.29 105.19 119.55 3g5k n GLY 134 Ca -0.17 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 3.36 0.93 0.99 1.43 -0.04 -1.55 118.68 123.80 3g5k s LEU 135 Ca 0.00 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 3g5k s LEU 135 Cb 0.00 -2.07 0.17 0.00 0.03 0.00 0.00 46.19 44.32 3g5k s LEU 135 CO 0.00 0.14 1.26 1.51 0.23 0.00 0.00 176.35 179.50 3g5k s ASP 136 N -2.53 3.38 0.44 2.29 1.47 0.11 -0.16 116.67 121.68 3g5k s ASP 136 Ca 0.26 0.47 0.31 0.00 1.18 0.00 0.00 52.55 54.76 3g5k s ASP 136 Cb -0.11 -0.67 1.50 0.00 -0.34 0.00 0.00 42.92 43.30 3g5k s ASP 136 CO 0.18 -2.59 1.93 -0.65 0.68 0.00 0.00 175.17 174.72 3g5k h PRO 137 N -1.54 0.00 -0.29 2.11 0.11 -1.89 0.15 132.00 130.65 3g5k h PRO 137 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3g5k h PRO 137 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3g5k h PRO 137 CO 0.47 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.35 3g5k n ASN 138 N -2.64 2.49 0.00 -2.05 5.03 -1.26 0.93 115.26 117.76 3g5k n ASN 138 Ca -0.01 -1.86 0.00 0.00 0.87 0.00 0.00 54.58 53.58 3g5k n ASN 138 Cb 0.15 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.72 3g5k n ASN 138 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3g5k n GLY 139 N 1.30 0.59 3.82 7.41 0.00 0.04 -4.61 105.19 113.74 3g5k n GLY 139 Ca 0.17 -0.01 -0.36 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 -0.20 4.25 0.19 1.61 2.02 -1.26 -4.79 118.70 120.52 3g5k s GLU 140 Ca 0.00 0.90 -0.31 0.00 0.02 0.00 0.00 54.97 55.58 3g5k s GLU 140 Cb 0.00 -2.79 -0.09 0.00 0.10 0.00 0.00 34.13 31.35 3g5k s GLU 140 CO 0.00 0.34 1.41 -0.65 0.02 0.00 0.00 175.26 176.37 3g5k s GLN 141 N -2.16 4.31 -0.03 1.61 -1.52 -1.26 0.08 119.66 120.69 3g5k s GLN 141 Ca 0.46 2.18 0.02 0.00 -1.95 0.00 0.00 55.36 56.07 3g5k s GLN 141 Cb -0.16 -3.18 0.01 0.00 -0.22 0.00 0.00 33.01 29.46 3g5k s GLN 141 CO 0.21 -0.40 -0.08 0.08 -0.25 0.00 0.00 175.29 174.84 3g5k s VAL 142 N 0.48 0.73 0.01 1.09 1.01 -0.60 -4.84 120.40 118.28 3g5k s VAL 142 Ca 0.61 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3g5k s VAL 142 Cb -0.39 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 3g5k s VAL 142 CO 0.37 0.23 -0.02 -0.69 0.00 0.00 0.00 175.10 174.99 3g5k s VAL 143 N 0.29 0.13 -0.08 2.92 1.01 -1.26 -0.96 120.40 122.45 3g5k s VAL 143 Ca -0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 3g5k s VAL 143 Cb -0.09 -0.18 0.04 0.00 0.00 0.00 0.00 36.38 36.16 3g5k s VAL 143 CO 0.00 -0.16 0.15 0.86 0.00 0.00 0.00 175.10 175.95 3g5k s TRP 144 N -0.56 -0.15 -0.16 5.22 -0.00 -0.13 -5.00 118.94 118.16 3g5k s TRP 144 Ca -0.05 0.57 -0.12 0.00 -0.00 0.00 0.00 56.10 56.49 3g5k s TRP 144 Cb -0.04 -0.28 -0.05 0.00 -0.00 0.00 0.00 33.47 33.10 3g5k s TRP 144 CO -0.00 -0.26 0.24 -0.65 -0.00 0.00 0.00 176.95 176.28 3g5k s GLN 145 N 2.22 4.14 0.02 5.86 -0.21 -1.26 -0.86 119.66 129.56 3g5k s GLN 145 Ca 0.03 0.01 -0.08 0.00 0.02 0.00 0.00 55.36 55.34 3g5k s GLN 145 Cb -0.12 -3.39 -0.00 0.00 1.00 0.00 0.00 33.01 30.50 3g5k s GLN 145 CO -0.05 0.34 0.15 0.00 -2.12 0.00 0.00 175.29 173.60 3g5k s ALA 146 N 0.19 -0.28 0.30 6.09 0.00 -0.07 -5.01 121.76 122.98 3g5k s ALA 146 Ca 0.15 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.87 3g5k s ALA 146 Cb -0.13 0.19 -0.06 0.00 0.00 0.00 0.00 23.12 23.12 3g5k s ALA 146 CO 0.03 -0.28 0.06 -1.54 0.00 0.00 0.00 175.76 174.04 3g5k s SER 147 N -1.75 1.97 0.54 0.00 1.04 -1.26 -1.56 113.70 112.69 3g5k s SER 147 Ca -0.10 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 54.97 3g5k s SER 147 Cb -0.04 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3g5k s SER 147 CO -0.01 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.18 3g5k n GLY 148 N -0.60 1.53 0.37 7.32 0.00 0.14 -3.02 105.19 110.94 3g5k n GLY 148 Ca -0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 1.20 -0.83 1.61 2.91 -1.13 -1.45 115.95 118.26 3g5k h TRP 149 Ca 0.00 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.07 3g5k h TRP 149 Cb 0.00 -0.40 -0.05 0.00 -0.51 0.00 0.00 29.16 28.20 3g5k h TRP 149 CO 0.00 0.75 0.54 0.00 -1.03 0.00 0.00 178.44 178.70 3g5k h ALA 150 N 1.41 1.07 -0.51 2.65 0.00 -1.76 -1.67 119.26 120.46 3g5k h ALA 150 Ca 0.35 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 3g5k h ALA 150 Cb -0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.33 3g5k h ALA 150 CO -0.08 0.39 0.13 0.00 0.00 0.00 0.00 179.25 179.69 3g5k h ALA 151 N 1.33 1.26 -0.30 0.00 0.00 -1.21 -1.36 119.26 118.99 3g5k h ALA 151 Ca 0.32 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3g5k h ALA 151 Cb -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3g5k h ALA 151 CO -0.10 0.51 0.14 -0.09 0.00 0.00 0.00 179.25 179.72 3g5k h ARG 152 N 0.75 0.29 -0.64 0.00 2.43 -0.70 -1.30 114.38 115.21 3g5k h ARG 152 Ca 0.17 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 3g5k h ARG 152 Cb 0.27 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3g5k h ARG 152 CO -0.00 0.19 0.16 0.82 -1.51 0.00 0.00 179.97 179.62 3g5k h ILE 153 N 0.30 1.26 -0.35 1.20 2.04 -0.98 -0.14 117.51 120.83 3g5k h ILE 153 Ca 0.13 -0.93 0.05 0.00 1.00 0.00 0.00 64.86 65.11 3g5k h ILE 153 Cb 0.05 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 3g5k h ILE 153 CO -0.10 0.35 0.08 0.40 0.00 0.00 0.00 178.15 178.88 3g5k h ILE 154 N 0.94 0.84 -0.36 -0.67 2.04 -1.09 -1.24 117.51 117.97 3g5k h ILE 154 Ca 0.20 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.88 3g5k h ILE 154 Cb 0.36 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3g5k h ILE 154 CO 0.00 0.04 -0.23 1.56 0.00 0.00 0.00 178.15 179.52 3g5k h GLN 155 N 0.21 0.71 -0.43 2.37 4.20 -0.77 0.41 115.11 121.81 3g5k h GLN 155 Ca 0.17 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3g5k h GLN 155 Cb 0.18 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3g5k h GLN 155 CO -0.21 0.87 0.19 1.25 -0.67 0.00 0.00 178.83 180.27 3g5k h HIS 156 N 0.62 0.63 -0.25 2.96 2.76 -0.71 -1.17 115.15 119.99 3g5k h HIS 156 Ca 0.09 -0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.07 3g5k h HIS 156 Cb 0.72 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 3g5k h HIS 156 CO 0.03 0.53 -0.45 0.93 -1.30 0.00 0.00 177.93 177.67 3g5k h GLU 157 N 0.55 0.65 -0.71 5.26 4.39 -0.97 -2.85 114.58 120.89 3g5k h GLU 157 Ca 0.15 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 3g5k h GLU 157 Cb 0.15 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 3g5k h GLU 157 CO -0.02 0.97 0.33 0.52 -1.16 0.00 0.00 179.01 179.66 3g5k h MET 158 N 0.53 1.03 -0.80 2.33 2.86 -0.83 -1.44 114.93 118.60 3g5k h MET 158 Ca 0.03 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3g5k h MET 158 Cb 0.99 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 32.42 3g5k h MET 158 CO 0.09 0.80 0.53 -0.44 1.06 0.00 0.00 176.91 178.95 3g5k h ASP 159 N 1.02 0.84 -0.05 1.22 3.32 -1.00 -1.34 116.42 120.43 3g5k h ASP 159 Ca 0.25 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 3g5k h ASP 159 Cb 0.12 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3g5k h ASP 159 CO -0.03 0.57 -0.06 0.45 -1.72 0.00 0.00 179.24 178.46 3g5k h HIS 160 N 0.97 0.26 0.00 4.55 3.86 -1.04 0.07 115.15 123.81 3g5k h HIS 160 Ca 0.32 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 3g5k h HIS 160 Cb 0.07 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.46 3g5k h HIS 160 CO -0.00 0.32 0.00 -0.07 0.86 0.00 0.00 177.93 179.04 3g5k h LEU 161 N 0.25 0.00 -1.50 2.43 3.38 -1.10 -2.43 115.31 116.33 3g5k h LEU 161 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3g5k h LEU 161 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3g5k h LEU 161 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3g5k n GLN 162 N -2.33 2.00 -0.87 1.13 1.13 -0.14 -1.42 117.38 116.89 3g5k n GLN 162 Ca 0.03 -1.49 0.00 0.00 -1.94 0.00 0.00 57.00 53.60 3g5k n GLN 162 Cb 0.31 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.21 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 1.27 0.47 3.57 1.08 0.00 -0.91 -4.52 105.19 106.14 3g5k n GLY 163 Ca 0.17 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.18 3.05 0.54 0.00 1.43 -1.26 -3.17 118.68 119.08 3g5k s LEU 165 Ca 0.04 -0.73 0.21 0.00 -1.03 0.00 0.00 54.13 52.62 3g5k s LEU 165 Cb -0.13 -1.58 1.39 0.00 0.03 0.00 0.00 46.19 45.91 3g5k s LEU 165 CO 0.02 0.01 2.12 2.19 0.23 0.00 0.00 176.35 180.93 3g5k h PHE 166 N 2.01 0.00 0.00 0.29 -5.15 -1.97 0.11 116.94 112.23 3g5k h PHE 166 Ca -0.43 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 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 0.71 0.00 0.00 0.44 -2.00 0.00 0.00 178.31 177.46 3g5k n ILE 167 N -4.37 1.23 0.46 0.88 -5.35 -1.26 -1.55 119.36 109.40 3g5k n ILE 167 Ca 0.00 0.51 0.12 0.00 -0.27 0.00 0.00 62.75 63.12 3g5k n ILE 167 Cb 0.23 -1.47 0.21 0.00 -1.74 0.00 0.00 39.64 36.87 3g5k n ILE 167 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3g5k h ASP 168 N 0.00 0.00 -0.00 7.28 3.32 -1.17 -3.35 116.42 122.50 3g5k h ASP 168 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3g5k h ASP 168 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3g5k h ASP 168 CO 0.00 0.05 -0.04 0.29 -1.72 0.00 0.00 179.24 177.82 3g5k n LYS 169 N -2.39 2.07 -1.48 3.56 5.02 -0.60 -5.07 118.16 119.26 3g5k n LYS 169 Ca 0.04 -0.39 -0.31 0.00 -2.02 0.00 0.00 58.31 55.63 3g5k n LYS 169 Cb 0.47 -0.87 0.07 0.00 -0.02 0.00 0.00 35.03 34.68 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 -0.59 2.51 -0.65 1.97 0.23 -0.60 -4.51 119.30 117.65 3g5k s MET 170 Ca 0.02 0.92 -0.28 0.00 -1.03 0.00 0.00 55.69 55.32 3g5k s MET 170 Cb 0.02 -1.94 0.03 0.00 -1.53 0.00 0.00 34.83 31.40 3g5k s MET 170 CO 0.05 -1.39 1.27 0.34 -2.03 0.00 0.00 175.02 173.26 3g5k s ASP 171 N -3.72 6.25 0.58 -1.18 -1.08 -0.22 -4.92 116.67 112.39 3g5k s ASP 171 Ca 0.60 -0.13 0.36 0.00 -0.52 0.00 0.00 52.55 52.86 3g5k s ASP 171 Cb -0.15 -2.56 1.76 0.00 -1.46 0.00 0.00 42.92 40.52 3g5k s ASP 171 CO 0.55 -1.69 2.14 0.77 0.52 0.00 0.00 175.17 177.46 3g5k h SER 172 N 10.05 0.00 0.40 -0.34 4.64 -1.93 -0.94 113.55 125.43 3g5k h SER 172 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3g5k h SER 172 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3g5k h SER 172 CO 1.23 0.03 0.00 0.54 -0.87 0.00 0.00 176.83 177.76 3g5k n ARG 173 N -3.22 0.29 -0.05 4.77 1.74 -1.26 -2.10 116.66 116.83 3g5k n ARG 173 Ca -0.01 0.09 0.09 0.00 -0.77 0.00 0.00 57.85 57.25 3g5k n ARG 173 Cb 0.21 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.29 0.17 -2.07 0.55 -2.24 -0.36 -4.97 114.28 104.07 3g5k n THR 174 Ca 0.10 -0.59 -0.41 0.00 -2.27 0.00 0.00 64.05 60.88 3g5k n THR 174 Cb 0.17 1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.38 3.06 -0.10 4.78 5.36 -0.89 -4.42 117.98 124.39 3g5k s PHE 175 Ca 0.23 1.19 -0.20 0.00 -0.96 0.00 0.00 56.93 57.19 3g5k s PHE 175 Cb 0.15 -3.74 0.05 0.00 -0.34 0.00 0.00 43.02 39.14 3g5k s PHE 175 CO 0.22 -2.27 0.49 -0.08 -1.46 0.00 0.00 175.22 172.12 3g5k s THR 176 N -0.40 0.02 0.57 0.12 -1.32 -0.03 -5.00 115.64 109.60 3g5k s THR 176 Ca 0.55 -0.16 -0.21 0.00 -1.21 0.00 0.00 61.69 60.66 3g5k s THR 176 Cb -0.40 -0.75 -0.04 0.00 -1.51 0.00 0.00 72.50 69.79 3g5k s THR 176 CO 0.46 -0.09 1.34 0.20 -2.21 0.00 0.00 174.62 174.33 3g5k s ASN 177 N -0.64 5.11 0.49 8.08 0.01 -1.26 -1.19 114.94 125.53 3g5k s ASN 177 Ca -0.07 2.73 0.32 0.00 -0.71 0.00 0.00 52.86 55.13 3g5k s ASN 177 Cb -0.03 -2.63 1.39 0.00 0.41 0.00 0.00 41.25 40.39 3g5k s ASN 177 CO 0.04 -1.67 1.95 -0.37 -1.51 0.00 0.00 177.10 175.54 3g5k h VAL 178 N 1.24 0.00 -0.01 1.60 -1.51 -1.42 -1.77 116.25 114.38 3g5k h VAL 178 Ca -0.51 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 3g5k h VAL 178 Cb 1.31 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 3g5k h VAL 178 CO 0.56 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.90 3g5k n TYR 179 N -2.86 0.01 -4.77 5.19 0.18 -1.26 -4.64 117.16 109.00 3g5k n TYR 179 Ca 0.00 -0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.45 3g5k n TYR 179 Cb 0.25 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.09 3g5k n TYR 179 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 3g5k s TRP 180 N -1.99 2.80 0.09 -3.48 0.52 -0.67 -5.12 118.94 111.09 3g5k s TRP 180 Ca 0.38 -0.17 -0.19 0.00 0.02 0.00 0.00 56.10 56.14 3g5k s TRP 180 Cb 0.18 -1.70 0.04 0.00 -1.15 0.00 0.00 33.47 30.84 3g5k s TRP 180 CO 0.29 0.17 0.45 0.00 0.02 0.00 0.00 176.95 177.89 3g5k s MET 181 N -0.57 1.05 0.01 4.98 0.23 -1.26 -4.81 119.30 118.93 3g5k s MET 181 Ca 0.08 -0.49 -0.18 0.00 -1.03 0.00 0.00 55.69 54.07 3g5k s MET 181 Cb -0.12 0.47 -0.06 0.00 -1.53 0.00 0.00 34.83 33.59 3g5k s MET 181 CO 0.02 -0.40 0.52 0.15 -2.03 0.00 0.00 175.02 173.28 3g5k s LYS 182 N -3.15 4.17 0.25 3.16 1.02 -1.26 -5.08 119.74 118.85 3g5k s LYS 182 Ca -0.01 0.61 0.05 0.00 0.02 0.00 0.00 55.97 56.65 3g5k s LYS 182 Cb 0.00 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 3g5k s LYS 182 CO -0.07 0.54 -0.04 0.14 -0.92 0.00 0.00 175.35 174.99 3g5k s VAL 183 N -0.70 1.38 0.20 3.17 -7.23 -1.26 -5.15 120.40 110.81 3g5k s VAL 183 Ca 0.28 -2.09 -0.24 0.00 -1.81 0.00 0.00 61.98 58.12 3g5k s VAL 183 Cb -0.18 -2.36 -0.08 0.00 0.56 0.00 0.00 36.38 34.32 3g5k s VAL 183 CO 0.16 -0.34 0.78 0.20 -0.31 0.00 0.00 175.10 175.58 3g5k s ASN 184 N -3.37 7.28 0.00 4.85 0.01 -1.26 -5.36 114.94 117.09 3g5k s ASN 184 Ca 0.28 1.60 0.29 0.00 -0.71 0.00 0.00 52.86 54.31 3g5k s ASN 184 Cb 0.04 -2.48 1.22 0.00 0.41 0.00 0.00 41.25 40.44 3g5k s ASN 184 CO 0.10 0.13 1.84 0.47 -1.51 0.00 0.00 177.10 178.13