#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g76 n GLY 21 N 0.00 3.11 2.80 -0.02 0.00 -1.26 -5.03 105.19 104.80 1g76 n GLY 21 Ca 0.00 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 1g76 n GLY 21 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1g76 s LEU 22 N 0.00 2.72 -0.04 0.99 2.96 -1.26 -5.11 118.68 118.94 1g76 s LEU 22 Ca 0.00 -1.68 -0.01 0.00 -0.22 0.00 0.00 54.13 52.22 1g76 s LEU 22 Cb 0.00 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 1g76 s LEU 22 CO 0.00 -0.39 0.07 -0.13 -1.32 0.00 0.00 176.35 174.57 1g76 s ARG 23 N 1.47 3.08 0.26 1.98 1.81 -1.26 -4.93 118.95 121.35 1g76 s ARG 23 Ca 0.09 -0.43 -0.02 0.00 -1.72 0.00 0.00 55.73 53.65 1g76 s ARG 23 Cb -0.18 -2.87 0.49 0.00 -0.45 0.00 0.00 34.95 31.95 1g76 s ARG 23 CO -0.20 0.67 1.78 -0.09 -0.68 0.00 0.00 175.30 176.79 1g76 h ARG 24 N 4.46 0.68 0.00 3.54 2.43 -1.99 -0.98 114.38 122.52 1g76 h ARG 24 Ca -0.50 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1g76 h ARG 24 Cb 1.19 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1g76 h ARG 24 CO 0.60 0.45 0.04 0.07 -1.51 0.00 0.00 179.97 179.62 1g76 h ARG 25 N 0.70 0.00 -0.00 0.20 0.11 -2.04 -1.13 114.38 112.22 1g76 h ARG 25 Ca 0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 1g76 h ARG 25 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 1g76 h ARG 25 CO -0.32 0.00 -0.44 -0.25 0.10 0.00 0.00 179.97 179.06 1g76 n ASP 26 N -3.03 0.89 -4.76 0.08 8.00 -0.37 -4.95 116.55 112.41 1g76 n ASP 26 Ca -0.03 -0.69 -0.41 0.00 0.71 0.00 0.00 54.79 54.37 1g76 n ASP 26 Cb 0.11 0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 1g76 n ASP 26 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1g76 s LEU 27 N -2.74 4.45 0.55 0.64 1.02 -0.43 -5.03 118.68 117.13 1g76 s LEU 27 Ca 0.17 2.58 -0.10 0.00 0.02 0.00 0.00 54.13 56.79 1g76 s LEU 27 Cb 0.18 -3.64 -0.05 0.00 0.02 0.00 0.00 46.19 42.70 1g76 s LEU 27 CO 0.63 -0.47 0.94 -2.16 0.02 0.00 0.00 176.35 175.31 1g76 s PRO 28 N -1.47 3.66 0.26 1.29 0.04 -1.26 -4.97 135.00 132.55 1g76 s PRO 28 Ca 0.49 0.62 0.05 0.00 0.04 0.00 0.00 61.00 62.20 1g76 s PRO 28 Cb -0.38 -2.19 0.35 0.00 0.04 0.00 0.00 34.50 32.32 1g76 s PRO 28 CO 0.49 -0.38 1.64 0.00 0.04 0.00 0.00 177.00 178.78 1g76 h ALA 29 N 0.17 0.98 -2.78 8.56 0.00 -2.00 -3.40 119.26 120.79 1g76 h ALA 29 Ca -0.45 -0.46 -0.66 0.00 0.00 0.00 0.00 54.91 53.33 1g76 h ALA 29 Cb 1.19 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.71 1g76 h ALA 29 CO 0.62 0.65 -0.48 0.34 0.00 0.00 0.00 179.25 180.37 1g76 s ASP 30 N -6.88 6.05 0.53 0.00 3.68 -1.26 -4.77 116.67 114.02 1g76 s ASP 30 Ca -0.05 -0.24 0.25 0.00 2.13 0.00 0.00 52.55 54.65 1g76 s ASP 30 Cb 0.13 -2.13 1.41 0.00 -1.45 0.00 0.00 42.92 40.87 1g76 s ASP 30 CO 0.79 -0.16 2.00 1.55 0.13 0.00 0.00 175.17 179.47 1g76 h PRO 31 N 8.44 0.00 -0.01 4.34 0.13 -2.00 -0.59 132.00 142.31 1g76 h PRO 31 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1g76 h PRO 31 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1g76 h PRO 31 CO 0.60 0.00 -0.05 -0.07 -0.23 0.00 0.00 178.00 178.26 1g76 h LEU 32 N 0.00 0.01 -0.00 1.56 3.38 -1.95 -0.35 115.31 117.96 1g76 h LEU 32 Ca 0.25 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1g76 h LEU 32 Cb 1.00 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1g76 h LEU 32 CO -0.00 0.06 0.00 0.74 0.09 0.00 0.00 178.44 179.33 1g76 h THR 33 N 0.01 1.05 -0.31 0.22 2.02 -1.50 0.25 112.91 114.65 1g76 h THR 33 Ca 0.00 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1g76 h THR 33 Cb 0.09 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1g76 h THR 33 CO 0.01 0.04 0.12 0.25 0.37 0.00 0.00 175.52 176.30 1g76 h LEU 34 N -0.05 0.44 -0.75 2.58 5.85 -1.45 -1.59 115.31 120.33 1g76 h LEU 34 Ca 0.00 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.60 1g76 h LEU 34 Cb 0.06 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1g76 h LEU 34 CO -0.00 0.49 0.46 0.15 -0.34 0.00 0.00 178.44 179.20 1g76 h PHE 35 N 0.35 0.85 0.13 1.25 3.04 -0.87 -0.12 116.94 121.57 1g76 h PHE 35 Ca 0.10 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1g76 h PHE 35 Cb 0.20 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 1g76 h PHE 35 CO -0.00 0.44 -0.11 1.49 -2.02 0.00 0.00 178.31 178.12 1g76 h GLU 36 N 0.86 -0.24 -0.82 1.11 4.81 -0.15 0.33 114.58 120.48 1g76 h GLU 36 Ca 0.32 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.61 1g76 h GLU 36 Cb 0.12 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1g76 h GLU 36 CO -0.15 -0.16 0.51 0.00 -0.73 0.00 0.00 179.01 178.48 1g76 h ARG 37 N -0.25 0.95 -0.41 1.92 3.08 -0.85 0.11 114.38 118.94 1g76 h ARG 37 Ca -0.00 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1g76 h ARG 37 Cb 0.23 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1g76 h ARG 37 CO -0.01 0.63 -0.19 -1.49 -1.07 0.00 0.00 179.97 177.83 1g76 h TRP 38 N 0.98 0.89 -0.40 3.04 4.06 -0.66 -0.79 115.95 123.07 1g76 h TRP 38 Ca 0.34 -0.19 -0.08 0.00 2.06 0.00 0.00 58.89 61.01 1g76 h TRP 38 Cb 0.07 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.00 1g76 h TRP 38 CO -0.03 0.92 -0.07 1.25 -3.56 0.00 0.00 178.44 176.94 1g76 h LEU 39 N 0.70 0.76 0.17 -4.49 5.85 0.33 -2.00 115.31 116.62 1g76 h LEU 39 Ca 0.10 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1g76 h LEU 39 Cb 0.70 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1g76 h LEU 39 CO 0.05 0.93 -0.11 -1.28 -0.34 0.00 0.00 178.44 177.70 1g76 h SER 40 N 0.57 -0.27 -0.02 1.25 0.87 -0.64 -1.84 113.55 113.47 1g76 h SER 40 Ca 0.10 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1g76 h SER 40 Cb 0.59 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1g76 h SER 40 CO 0.04 -0.17 -0.02 1.56 -0.53 0.00 0.00 176.83 177.70 1g76 h GLN 41 N -0.27 0.13 -0.42 2.24 4.20 -1.07 -1.88 115.11 118.04 1g76 h GLN 41 Ca -0.01 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 1g76 h GLN 41 Cb 0.23 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1g76 h GLN 41 CO 0.01 0.16 -0.28 0.00 -0.67 0.00 0.00 178.83 178.05 1g76 h ALA 42 N 1.86 0.59 0.05 3.87 0.00 -0.97 -1.23 119.26 123.43 1g76 h ALA 42 Ca 0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1g76 h ALA 42 Cb 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1g76 h ALA 42 CO 0.00 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.86 1g76 h GLU 44 N -0.07 0.35 0.00 0.00 4.11 -1.46 -0.74 114.58 116.78 1g76 h GLU 44 Ca -0.01 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.26 1g76 h GLU 44 Cb 0.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1g76 h GLU 44 CO 0.01 0.68 0.00 0.00 0.07 0.00 0.00 179.01 179.77 1g76 n ALA 45 N -2.48 1.58 -3.14 1.06 0.00 -0.47 -4.82 120.51 112.24 1g76 n ALA 45 Ca -0.01 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 1g76 n ALA 45 Cb 0.47 -1.10 0.05 0.00 0.00 0.00 0.00 19.45 18.87 1g76 n ALA 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1g76 n LYS 46 N -1.17 -5.44 -2.15 0.00 3.00 -0.28 -4.98 118.16 107.14 1g76 n LYS 46 Ca 0.04 0.78 -0.35 0.00 -0.00 0.00 0.00 58.31 58.78 1g76 n LYS 46 Cb 0.04 -5.48 0.01 0.00 0.00 0.00 0.00 35.03 29.60 1g76 n LYS 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1g76 s LEU 47 N -6.23 3.67 -0.12 3.14 1.43 -0.93 -4.94 118.68 114.70 1g76 s LEU 47 Ca 0.37 2.14 -0.29 0.00 -1.03 0.00 0.00 54.13 55.31 1g76 s LEU 47 Cb -0.16 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.46 1g76 s LEU 47 CO 0.46 -1.31 1.31 0.00 0.23 0.00 0.00 176.35 177.04 1g76 s ALA 48 N -1.89 3.62 -0.87 4.21 0.00 -1.26 -3.88 121.76 121.69 1g76 s ALA 48 Ca 0.72 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 53.20 1g76 s ALA 48 Cb -0.23 -3.61 -0.00 0.00 0.00 0.00 0.00 23.12 19.27 1g76 s ALA 48 CO 0.30 -1.10 0.70 -0.25 0.00 0.00 0.00 175.76 175.41 1g76 n ASP 49 N 6.30 -6.18 0.29 0.00 8.00 -1.26 -4.81 116.55 118.88 1g76 n ASP 49 Ca 0.14 -0.62 0.18 0.00 0.71 0.00 0.00 54.79 55.19 1g76 n ASP 49 Cb 0.45 -3.61 0.97 0.00 -0.02 0.00 0.00 41.12 38.90 1g76 n ASP 49 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1g76 h PRO 50 N -0.40 0.00 -0.00 -0.24 0.11 -1.91 0.10 132.00 129.65 1g76 h PRO 50 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1g76 h PRO 50 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1g76 h PRO 50 CO 0.37 0.00 -0.12 0.25 -0.21 0.00 0.00 178.00 178.29 1g76 n THR 51 N -3.60 0.00 -2.17 -1.15 -2.24 -1.26 -4.86 114.28 99.00 1g76 n THR 51 Ca -0.02 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 1g76 n THR 51 Cb 0.15 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 1g76 n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g76 s ALA 52 N -2.56 3.58 0.02 6.98 0.00 0.35 -1.05 121.76 129.08 1g76 s ALA 52 Ca 0.26 1.13 -0.00 0.00 0.00 0.00 0.00 51.96 53.36 1g76 s ALA 52 Cb 0.20 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1g76 s ALA 52 CO 0.49 -0.60 -0.02 0.00 0.00 0.00 0.00 175.76 175.63 1g76 s MET 53 N 0.65 0.32 -0.31 0.00 0.23 -0.26 -4.44 119.30 115.50 1g76 s MET 53 Ca 0.62 -0.62 -0.18 0.00 -1.03 0.00 0.00 55.69 54.48 1g76 s MET 53 Cb -0.37 0.12 -0.02 0.00 -1.53 0.00 0.00 34.83 33.03 1g76 s MET 53 CO 0.33 -0.05 0.51 0.08 -2.03 0.00 0.00 175.02 173.86 1g76 s VAL 54 N -1.53 5.04 -0.23 5.16 1.01 0.11 -0.81 120.40 129.16 1g76 s VAL 54 Ca -0.15 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.33 1g76 s VAL 54 Cb -0.09 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 1g76 s VAL 54 CO -0.01 -0.06 0.18 0.54 0.00 0.00 0.00 175.10 175.74 1g76 s VAL 55 N 2.36 5.36 -0.11 2.92 0.11 -0.28 -1.41 120.40 129.34 1g76 s VAL 55 Ca 0.20 0.23 -0.02 0.00 -2.93 0.00 0.00 61.98 59.46 1g76 s VAL 55 Cb -0.15 -3.52 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 1g76 s VAL 55 CO 0.11 0.36 -0.02 0.00 -3.33 0.00 0.00 175.10 172.22 1g76 s ALA 56 N 0.94 3.16 0.29 1.54 0.00 0.20 -2.84 121.76 125.05 1g76 s ALA 56 Ca 0.09 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1g76 s ALA 56 Cb -0.13 -1.48 -0.06 0.00 0.00 0.00 0.00 23.12 21.45 1g76 s ALA 56 CO 0.04 0.46 0.08 0.95 0.00 0.00 0.00 175.76 177.28 1g76 s THR 57 N -0.45 0.90 -0.04 0.00 -4.23 -0.30 -1.97 115.64 109.56 1g76 s THR 57 Ca 0.08 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.62 1g76 s THR 57 Cb -0.12 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.00 1g76 s THR 57 CO 0.02 -0.00 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.29 1g76 s VAL 58 N -3.51 1.02 0.89 2.29 1.01 -1.26 -0.34 120.40 120.51 1g76 s VAL 58 Ca 0.37 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 1g76 s VAL 58 Cb 0.08 -0.91 0.19 0.00 0.00 0.00 0.00 36.38 35.75 1g76 s VAL 58 CO 0.15 0.31 1.22 1.51 0.00 0.00 0.00 175.10 178.29 1g76 s ASP 59 N 0.26 3.39 0.65 3.32 1.47 -0.41 -4.65 116.67 120.69 1g76 s ASP 59 Ca -0.06 -0.13 0.42 0.00 1.18 0.00 0.00 52.55 53.96 1g76 s ASP 59 Cb -0.11 0.05 2.27 0.00 -0.34 0.00 0.00 42.92 44.79 1g76 s ASP 59 CO 0.01 -2.53 2.33 1.05 0.68 0.00 0.00 175.17 176.72 1g76 h GLU 60 N -1.28 0.00 -0.61 2.11 4.11 -1.92 -1.89 114.58 115.10 1g76 h GLU 60 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1g76 h GLU 60 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1g76 h GLU 60 CO 0.34 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.14 1g76 n HIS 61 N -3.22 1.01 -0.95 2.06 8.25 -1.26 -4.91 115.22 116.20 1g76 n HIS 61 Ca -0.03 -0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.00 1g76 n HIS 61 Cb 0.09 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1g76 n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g76 n GLY 62 N 1.16 0.70 3.65 -1.41 0.00 -0.71 -5.02 105.19 103.56 1g76 n GLY 62 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1g76 n GLY 62 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g76 s GLN 63 N -0.05 4.20 0.50 1.61 2.00 -1.26 -4.83 119.66 121.84 1g76 s GLN 63 Ca 0.00 0.87 -0.19 0.00 -2.00 0.00 0.00 55.36 54.05 1g76 s GLN 63 Cb 0.00 -3.63 -0.08 0.00 0.80 0.00 0.00 33.01 30.11 1g76 s GLN 63 CO 0.00 -0.45 1.02 -1.25 -0.50 0.00 0.00 175.29 174.11 1g76 s PRO 64 N 2.59 3.80 0.02 1.67 0.04 -1.26 -1.29 135.00 140.58 1g76 s PRO 64 Ca 0.34 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.60 1g76 s PRO 64 Cb -0.16 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1g76 s PRO 64 CO 0.09 -0.41 -0.07 0.71 0.04 0.00 0.00 177.00 177.36 1g76 s TYR 65 N -2.25 0.60 0.09 0.56 1.51 0.54 -4.94 117.35 113.47 1g76 s TYR 65 Ca 0.64 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 56.39 1g76 s TYR 65 Cb -0.14 -0.37 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 1g76 s TYR 65 CO 0.25 -0.05 -0.08 -0.65 -1.11 0.00 0.00 175.55 173.90 1g76 s GLN 66 N -0.98 0.78 -0.12 -0.62 -0.21 -1.26 -1.15 119.66 116.10 1g76 s GLN 66 Ca -0.05 -1.16 -0.30 0.00 0.02 0.00 0.00 55.36 53.88 1g76 s GLN 66 Cb -0.07 -0.36 0.12 0.00 1.00 0.00 0.00 33.01 33.70 1g76 s GLN 66 CO 0.00 0.04 0.96 -0.98 -2.12 0.00 0.00 175.29 173.19 1g76 s ARG 67 N -2.98 0.66 0.24 2.91 3.03 -1.13 -5.01 118.95 116.67 1g76 s ARG 67 Ca 0.05 0.06 -0.24 0.00 2.03 0.00 0.00 55.73 57.63 1g76 s ARG 67 Cb -0.01 0.31 -0.09 0.00 -1.03 0.00 0.00 34.95 34.13 1g76 s ARG 67 CO -0.02 -0.23 0.83 0.42 -1.13 0.00 0.00 175.30 175.18 1g76 s ILE 68 N -1.53 4.35 0.17 4.99 -1.09 -1.26 -1.13 121.20 125.71 1g76 s ILE 68 Ca -0.01 1.66 -0.02 0.00 -2.23 0.00 0.00 60.65 60.05 1g76 s ILE 68 Cb -0.01 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 1g76 s ILE 68 CO 0.00 0.32 0.14 0.68 -1.23 0.00 0.00 174.94 174.85 1g76 s VAL 69 N -1.40 0.04 -0.17 2.92 -7.23 0.01 -4.92 120.40 109.65 1g76 s VAL 69 Ca 0.43 -1.87 -0.07 0.00 -1.81 0.00 0.00 61.98 58.65 1g76 s VAL 69 Cb -0.20 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1g76 s VAL 69 CO 0.25 -0.20 0.06 -0.76 -0.31 0.00 0.00 175.10 174.14 1g76 s LEU 70 N -3.09 3.81 0.17 1.32 1.43 -1.26 -1.10 118.68 119.95 1g76 s LEU 70 Ca 0.31 0.10 -0.31 0.00 -1.03 0.00 0.00 54.13 53.19 1g76 s LEU 70 Cb 0.06 -1.96 -0.09 0.00 0.03 0.00 0.00 46.19 44.24 1g76 s LEU 70 CO 0.07 0.20 1.41 -0.22 0.23 0.00 0.00 176.35 178.04 1g76 s LEU 71 N 0.24 4.38 -0.01 1.79 2.96 -0.22 -4.53 118.68 123.30 1g76 s LEU 71 Ca 0.04 2.46 0.03 0.00 -0.22 0.00 0.00 54.13 56.44 1g76 s LEU 71 Cb -0.12 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1g76 s LEU 71 CO 0.00 -0.67 0.06 0.29 -1.32 0.00 0.00 176.35 174.72 1g76 n LYS 72 N 3.36 0.81 -3.53 1.98 4.76 0.20 -4.91 118.16 120.83 1g76 n LYS 72 Ca 0.10 -0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.37 1g76 n LYS 72 Cb 0.41 -1.08 -0.05 0.00 -1.84 0.00 0.00 35.03 32.47 1g76 n LYS 72 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1g76 s HIS 73 N -2.20 -0.53 -0.12 2.13 2.46 -1.23 -5.01 115.29 110.79 1g76 s HIS 73 Ca -0.01 0.83 -0.24 0.00 0.47 0.00 0.00 55.06 56.11 1g76 s HIS 73 Cb 0.02 0.45 0.06 0.00 -0.13 0.00 0.00 32.58 32.97 1g76 s HIS 73 CO 0.13 -0.54 0.58 1.52 -2.47 0.00 0.00 174.74 173.96 1g76 s TYR 74 N -1.55 -0.57 0.22 3.88 -0.85 -1.26 -0.46 117.35 116.77 1g76 s TYR 74 Ca -0.06 1.18 -0.17 0.00 -0.52 0.00 0.00 57.07 57.51 1g76 s TYR 74 Cb -0.00 0.27 0.06 0.00 0.38 0.00 0.00 41.96 42.67 1g76 s TYR 74 CO 0.04 -0.44 0.82 -0.40 -1.52 0.00 0.00 175.55 174.05 1g76 n ASP 75 N 1.79 -1.67 -0.39 -0.18 3.85 -0.98 -5.00 116.55 113.97 1g76 n ASP 75 Ca -0.17 -1.99 0.39 0.00 -0.71 0.00 0.00 54.79 52.30 1g76 n ASP 75 Cb 0.56 2.75 0.76 0.00 -1.35 0.00 0.00 41.12 43.84 1g76 n ASP 75 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1g76 h GLU 76 N 0.00 0.00 0.00 0.11 9.09 -2.02 0.32 114.58 122.09 1g76 h GLU 76 Ca -0.25 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.15 1g76 h GLU 76 Cb 1.05 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.15 1g76 h GLU 76 CO 0.33 0.00 -0.01 0.87 0.05 0.00 0.00 179.01 180.26 1g76 h LYS 77 N 0.00 0.00 0.00 1.06 1.57 -1.95 -3.43 116.57 113.82 1g76 h LYS 77 Ca 0.63 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 1g76 h LYS 77 Cb 2.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.87 1g76 h LYS 77 CO -0.01 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1g76 n GLY 78 N 0.17 0.96 3.60 3.86 0.00 0.11 -4.31 105.19 109.59 1g76 n GLY 78 Ca 0.01 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 1g76 n GLY 78 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1g76 s MET 79 N -1.54 3.05 -0.07 1.61 -1.94 0.42 -2.31 119.30 118.52 1g76 s MET 79 Ca 0.00 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 53.50 1g76 s MET 79 Cb 0.00 -2.74 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 1g76 s MET 79 CO 0.00 0.58 -0.05 0.08 -0.01 0.00 0.00 175.02 175.62 1g76 s VAL 80 N -0.57 3.84 0.04 -6.03 1.01 0.40 0.07 120.40 119.16 1g76 s VAL 80 Ca 0.09 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1g76 s VAL 80 Cb -0.12 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1g76 s VAL 80 CO 0.02 0.60 0.12 0.72 0.00 0.00 0.00 175.10 176.56 1g76 s PHE 81 N -0.82 0.17 0.12 5.22 -0.71 -0.66 -0.63 117.98 120.67 1g76 s PHE 81 Ca 0.13 -0.46 0.06 0.00 -1.04 0.00 0.00 56.93 55.62 1g76 s PHE 81 Cb -0.11 -0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.54 1g76 s PHE 81 CO 0.02 -0.38 -0.04 0.71 -1.34 0.00 0.00 175.22 174.18 1g76 s TYR 82 N -2.62 2.85 0.34 3.49 1.51 -1.26 -0.90 117.35 120.75 1g76 s TYR 82 Ca -0.05 -0.11 -0.18 0.00 -1.01 0.00 0.00 57.07 55.72 1g76 s TYR 82 Cb -0.01 -1.45 0.04 0.00 -0.11 0.00 0.00 41.96 40.43 1g76 s TYR 82 CO -0.05 0.47 0.75 -0.08 -1.11 0.00 0.00 175.55 175.54 1g76 s THR 83 N -1.38 0.00 -0.07 -0.71 -1.32 -0.22 -4.91 115.64 107.03 1g76 s THR 83 Ca 0.24 -1.01 -0.26 0.00 -1.21 0.00 0.00 61.69 59.45 1g76 s THR 83 Cb -0.11 -2.49 -0.03 0.00 -1.51 0.00 0.00 72.50 68.37 1g76 s THR 83 CO 0.16 0.00 0.84 0.21 -2.21 0.00 0.00 174.62 173.62 1g76 s ASN 84 N -3.01 7.12 0.00 8.08 3.84 -1.26 -0.91 114.94 128.80 1g76 s ASN 84 Ca 0.14 1.35 0.16 0.00 0.21 0.00 0.00 52.86 54.72 1g76 s ASN 84 Cb -0.05 -2.48 0.81 0.00 -0.55 0.00 0.00 41.25 38.98 1g76 s ASN 84 CO 0.10 -0.25 1.45 0.18 -2.79 0.00 0.00 177.10 175.79 1g76 n LEU 85 N 4.24 0.00 -0.71 3.21 4.77 0.10 -1.98 117.00 126.63 1g76 n LEU 85 Ca 0.03 0.27 0.08 0.00 -0.03 0.00 0.00 56.01 56.36 1g76 n LEU 85 Cb 0.50 -0.27 0.12 0.00 -2.33 0.00 0.00 43.42 41.45 1g76 n LEU 85 CO 0.49 -0.13 0.57 0.61 -1.33 0.00 0.00 177.39 177.60 1g76 n GLY 86 N 0.06 1.15 3.77 -0.72 0.00 -1.26 -4.69 105.19 103.51 1g76 n GLY 86 Ca 0.08 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1g76 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g76 s SER 87 N -1.15 3.52 0.13 1.61 1.04 -0.84 -4.85 113.70 113.15 1g76 s SER 87 Ca 0.23 1.08 -0.17 0.00 0.48 0.00 0.00 55.95 57.57 1g76 s SER 87 Cb 0.14 -1.70 -0.03 0.00 0.10 0.00 0.00 66.02 64.54 1g76 s SER 87 CO 0.20 -2.56 1.70 0.03 0.98 0.00 0.00 173.24 173.59 1g76 h ARG 88 N -1.50 0.49 -0.89 4.02 3.08 -1.88 -2.09 114.38 115.61 1g76 h ARG 88 Ca -0.51 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 59.52 1g76 h ARG 88 Cb 1.32 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 31.23 1g76 h ARG 88 CO 0.61 0.44 0.58 1.57 -1.07 0.00 0.00 179.97 182.10 1g76 h LYS 89 N 0.41 1.05 0.19 0.04 2.10 -1.93 -0.01 116.57 118.41 1g76 h LYS 89 Ca 0.12 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.69 1g76 h LYS 89 Cb 0.12 -0.24 0.00 0.00 -0.90 0.00 0.00 32.23 31.21 1g76 h LYS 89 CO -0.01 0.69 -0.09 0.00 -2.00 0.00 0.00 179.45 178.04 1g76 h ALA 90 N 1.49 -0.26 -0.96 0.07 0.00 -1.74 0.09 119.26 117.96 1g76 h ALA 90 Ca 0.36 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1g76 h ALA 90 Cb 0.08 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1g76 h ALA 90 CO -0.12 -0.59 0.62 0.45 0.00 0.00 0.00 179.25 179.61 1g76 h HIS 91 N -0.36 1.16 -0.43 0.00 3.86 -0.83 -1.48 115.15 117.06 1g76 h HIS 91 Ca -0.03 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1g76 h HIS 91 Cb 0.28 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1g76 h HIS 91 CO -0.03 0.64 0.04 1.96 0.86 0.00 0.00 177.93 181.40 1g76 h GLN 92 N 1.18 0.74 -0.54 2.45 4.20 -0.84 -2.72 115.11 119.58 1g76 h GLN 92 Ca 0.39 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1g76 h GLN 92 Cb 0.06 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1g76 h GLN 92 CO -0.14 0.79 0.19 0.82 -0.67 0.00 0.00 178.83 179.82 1g76 h ILE 93 N 0.59 1.20 -0.42 2.54 2.04 -0.47 0.11 117.51 123.10 1g76 h ILE 93 Ca 0.13 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 1g76 h ILE 93 Cb 0.43 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1g76 h ILE 93 CO 0.01 0.26 0.12 -0.33 0.00 0.00 0.00 178.15 178.21 1g76 h GLU 94 N 0.77 0.61 0.00 2.37 5.08 -1.05 -2.23 114.58 120.13 1g76 h GLU 94 Ca 0.18 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 1g76 h GLU 94 Cb 0.19 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1g76 h GLU 94 CO -0.01 0.54 -1.19 -0.97 -1.00 0.00 0.00 179.01 176.38 1g76 h ASN 95 N 0.60 0.00 -1.57 1.42 -0.73 -1.13 -3.44 115.58 110.72 1g76 h ASN 95 Ca 0.14 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.19 1g76 h ASN 95 Cb 0.20 0.00 -0.27 0.00 0.27 0.00 0.00 38.32 38.52 1g76 h ASN 95 CO -0.01 0.52 -0.47 0.21 -0.37 0.00 0.00 177.43 177.31 1g76 s ASN 96 N -5.90 -0.13 0.00 1.15 3.84 0.33 -5.02 114.94 109.21 1g76 s ASN 96 Ca -0.01 -0.02 0.23 0.00 0.21 0.00 0.00 52.86 53.27 1g76 s ASN 96 Cb 0.08 1.35 1.29 0.00 -0.55 0.00 0.00 41.25 43.43 1g76 s ASN 96 CO 0.80 -0.32 1.76 -0.81 -2.79 0.00 0.00 177.10 175.73 1g76 n PRO 97 N 5.37 0.55 -2.33 0.43 -0.04 -0.87 -4.00 135.00 134.12 1g76 n PRO 97 Ca 0.00 0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 1g76 n PRO 97 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 1g76 n PRO 97 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1g76 s ARG 98 N -2.26 4.26 0.25 0.54 0.52 -1.26 -0.75 118.95 120.26 1g76 s ARG 98 Ca 0.29 1.81 0.01 0.00 -0.52 0.00 0.00 55.73 57.32 1g76 s ARG 98 Cb 0.16 -3.70 -0.05 0.00 0.52 0.00 0.00 34.95 31.87 1g76 s ARG 98 CO 0.30 -0.64 0.09 0.14 0.02 0.00 0.00 175.30 175.22 1g76 s VAL 99 N 3.03 0.55 0.01 3.52 -7.23 -0.58 -4.55 120.40 115.14 1g76 s VAL 99 Ca 0.60 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1g76 s VAL 99 Cb -0.26 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 1g76 s VAL 99 CO 0.21 -0.04 -0.08 -0.55 -0.31 0.00 0.00 175.10 174.34 1g76 s SER 100 N -3.30 0.89 -0.04 4.85 0.15 -0.83 -2.87 113.70 112.54 1g76 s SER 100 Ca 0.37 -0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.84 1g76 s SER 100 Cb 0.08 -0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 1g76 s SER 100 CO 0.13 0.03 -0.19 -0.76 1.20 0.00 0.00 173.24 173.64 1g76 s LEU 101 N -0.50 1.96 -0.05 3.45 1.43 -0.16 -0.62 118.68 124.19 1g76 s LEU 101 Ca 0.00 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1g76 s LEU 101 Cb -0.04 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 45.13 1g76 s LEU 101 CO -0.00 0.18 -0.04 -0.22 0.23 0.00 0.00 176.35 176.50 1g76 s LEU 102 N -0.04 1.19 -0.45 1.79 0.20 -0.50 -0.24 118.68 120.62 1g76 s LEU 102 Ca -0.03 -0.13 -0.17 0.00 0.69 0.00 0.00 54.13 54.49 1g76 s LEU 102 Cb -0.12 -0.46 0.04 0.00 -0.43 0.00 0.00 46.19 45.22 1g76 s LEU 102 CO 0.02 -0.08 0.48 -0.36 -0.29 0.00 0.00 176.35 176.12 1g76 s PHE 103 N 1.14 3.15 -1.32 5.38 0.40 -0.29 0.09 117.98 126.53 1g76 s PHE 103 Ca -0.07 -0.52 -0.17 0.00 -0.60 0.00 0.00 56.93 55.56 1g76 s PHE 103 Cb -0.14 -3.12 0.07 0.00 0.51 0.00 0.00 43.02 40.34 1g76 s PHE 103 CO -0.01 -0.81 1.79 -0.35 0.70 0.00 0.00 175.22 176.54 1g76 n PRO 104 N 5.68 3.17 -1.38 0.24 -0.04 -1.26 -3.34 135.00 138.07 1g76 n PRO 104 Ca -0.08 -3.22 -0.32 0.00 -0.04 0.00 0.00 63.50 59.84 1g76 n PRO 104 Cb 0.46 -3.44 0.09 0.00 -0.04 0.00 0.00 33.50 30.56 1g76 n PRO 104 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1g76 n TRP 105 N 7.92 3.10 0.32 0.54 8.01 -1.13 -4.68 117.44 131.53 1g76 n TRP 105 Ca 0.49 -2.77 0.14 0.00 -1.31 0.00 0.00 57.50 54.04 1g76 n TRP 105 Cb 0.45 -1.25 0.62 0.00 -2.01 0.00 0.00 31.31 29.12 1g76 n TRP 105 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.69 177.80 1g76 h HIS 106 N 1.88 0.00 0.00 -5.99 2.07 -1.75 -0.59 115.15 110.77 1g76 h HIS 106 Ca 0.57 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 58.02 1g76 h HIS 106 Cb 1.15 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.12 1g76 h HIS 106 CO 1.38 0.00 -0.35 1.79 -3.07 0.00 0.00 177.93 177.68 1g76 h THR 107 N 0.00 1.05 -0.56 6.12 1.35 -1.87 0.69 112.91 119.69 1g76 h THR 107 Ca 0.00 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 1g76 h THR 107 Cb 0.31 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1g76 h THR 107 CO 0.00 0.35 0.00 0.18 -0.25 0.00 0.00 175.52 175.80 1g76 n LEU 108 N -3.83 5.58 -3.97 3.87 4.77 -0.52 -4.93 117.00 117.97 1g76 n LEU 108 Ca -0.01 -2.83 -0.30 0.00 -0.03 0.00 0.00 56.01 52.83 1g76 n LEU 108 Cb 0.43 -0.68 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1g76 n LEU 108 CO 0.37 0.62 0.02 -0.62 -1.33 0.00 0.00 177.39 176.45 1g76 n GLU 109 N 0.63 -4.66 -4.15 3.23 1.02 0.23 -4.83 120.64 112.12 1g76 n GLU 109 Ca 0.27 0.53 -0.10 0.00 -0.02 0.00 0.00 57.16 57.83 1g76 n GLU 109 Cb 1.16 -5.26 -0.10 0.00 -0.02 0.00 0.00 31.44 27.22 1g76 n GLU 109 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1g76 s ARG 110 N -6.61 0.77 -0.10 3.49 0.52 -0.35 0.87 118.95 117.54 1g76 s ARG 110 Ca 0.53 -1.26 -0.10 0.00 -0.52 0.00 0.00 55.73 54.38 1g76 s ARG 110 Cb -0.28 -0.14 0.03 0.00 0.52 0.00 0.00 34.95 35.08 1g76 s ARG 110 CO 0.86 -0.03 0.29 -0.65 0.02 0.00 0.00 175.30 175.79 1g76 s GLN 111 N -3.64 0.36 -0.10 3.54 -0.21 -0.16 -2.28 119.66 117.18 1g76 s GLN 111 Ca 0.09 0.35 -0.01 0.00 0.02 0.00 0.00 55.36 55.81 1g76 s GLN 111 Cb 0.04 0.18 0.03 0.00 1.00 0.00 0.00 33.01 34.25 1g76 s GLN 111 CO -0.05 -0.05 -0.04 0.08 -2.12 0.00 0.00 175.29 173.11 1g76 s VAL 112 N 0.02 0.75 -0.13 1.09 1.01 -1.21 -0.77 120.40 121.15 1g76 s VAL 112 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1g76 s VAL 112 Cb -0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 1g76 s VAL 112 CO 0.01 0.31 -0.15 -0.32 0.00 0.00 0.00 175.10 174.95 1g76 s MET 113 N 1.82 3.31 -0.06 2.72 1.75 -0.19 -1.14 119.30 127.51 1g76 s MET 113 Ca 0.05 -0.72 0.03 0.00 -1.25 0.00 0.00 55.69 53.80 1g76 s MET 113 Cb -0.12 -2.59 -0.02 0.00 2.84 0.00 0.00 34.83 34.94 1g76 s MET 113 CO -0.07 0.17 -0.15 0.08 -0.65 0.00 0.00 175.02 174.40 1g76 s VAL 114 N 0.44 2.96 -0.06 10.11 1.01 0.67 -0.18 120.40 135.35 1g76 s VAL 114 Ca -0.11 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.16 1g76 s VAL 114 Cb -0.16 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 1g76 s VAL 114 CO 0.05 0.58 -0.19 -0.63 0.00 0.00 0.00 175.10 174.91 1g76 s ILE 115 N -0.54 1.61 0.00 2.22 1.01 0.09 -0.99 121.20 124.61 1g76 s ILE 115 Ca 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1g76 s ILE 115 Cb -0.11 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.96 1g76 s ILE 115 CO 0.01 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1g76 n GLY 116 N 3.34 0.68 3.67 6.18 0.00 -1.14 -0.86 105.19 117.07 1g76 n GLY 116 Ca -0.19 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 1g76 n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g76 s LYS 117 N -1.47 2.84 -0.15 1.61 -0.14 -1.26 -1.52 119.74 119.65 1g76 s LYS 117 Ca 0.00 -0.54 -0.14 0.00 -1.36 0.00 0.00 55.97 53.93 1g76 s LYS 117 Cb 0.00 -2.70 -0.05 0.00 -1.68 0.00 0.00 37.83 33.41 1g76 s LYS 117 CO 0.00 0.65 0.32 0.00 -0.76 0.00 0.00 175.35 175.56 1g76 s ALA 118 N -0.99 3.58 -0.02 5.17 0.00 0.08 -0.66 121.76 128.93 1g76 s ALA 118 Ca 0.17 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.76 1g76 s ALA 118 Cb -0.11 -2.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 1g76 s ALA 118 CO 0.07 0.10 -0.16 -1.83 0.00 0.00 0.00 175.76 173.93 1g76 s GLU 119 N 0.42 1.39 0.53 0.00 -1.05 -0.66 -4.85 118.70 114.48 1g76 s GLU 119 Ca 0.18 -0.57 -0.22 0.00 -0.15 0.00 0.00 54.97 54.21 1g76 s GLU 119 Cb -0.13 -1.31 -0.05 0.00 -0.44 0.00 0.00 34.13 32.20 1g76 s GLU 119 CO 0.05 0.32 1.30 1.03 0.95 0.00 0.00 175.26 178.91 1g76 s ARG 120 N -0.27 3.24 0.28 -4.83 1.81 -1.26 -0.62 118.95 117.29 1g76 s ARG 120 Ca 0.04 2.09 -0.12 0.00 -1.72 0.00 0.00 55.73 56.02 1g76 s ARG 120 Cb -0.07 -2.25 -0.08 0.00 -0.45 0.00 0.00 34.95 32.10 1g76 s ARG 120 CO -0.00 -1.07 0.65 -0.51 -0.68 0.00 0.00 175.30 173.69 1g76 s LEU 121 N -3.49 4.11 0.89 2.53 1.43 -0.18 -4.80 118.68 119.17 1g76 s LEU 121 Ca 0.71 1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 1g76 s LEU 121 Cb -0.37 -3.89 0.13 0.00 0.03 0.00 0.00 46.19 42.09 1g76 s LEU 121 CO 0.43 -0.15 1.09 -0.94 0.23 0.00 0.00 176.35 177.02 1g76 s SER 122 N -2.33 3.49 0.45 2.29 1.04 -1.26 -4.73 113.70 112.65 1g76 s SER 122 Ca 0.51 1.58 0.21 0.00 0.48 0.00 0.00 55.95 58.73 1g76 s SER 122 Cb -0.11 -2.25 1.08 0.00 0.10 0.00 0.00 66.02 64.84 1g76 s SER 122 CO 0.19 -2.64 1.94 0.71 0.98 0.00 0.00 173.24 174.42 1g76 h THR 123 N -1.55 0.86 -0.41 2.02 1.35 -1.99 -2.50 112.91 110.69 1g76 h THR 123 Ca -0.49 -0.89 -0.02 0.00 -0.55 0.00 0.00 66.41 64.46 1g76 h THR 123 Cb 1.28 1.53 -0.02 0.00 -1.73 0.00 0.00 68.15 69.21 1g76 h THR 123 CO 0.53 0.23 0.18 0.25 -0.25 0.00 0.00 175.52 176.45 1g76 h LEU 124 N 0.00 0.56 -0.01 3.87 5.85 -1.99 0.12 115.31 123.72 1g76 h LEU 124 Ca -0.00 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1g76 h LEU 124 Cb 0.51 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1g76 h LEU 124 CO 0.03 0.56 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.36 1g76 h GLU 125 N 0.53 0.02 -0.59 1.25 5.08 -1.86 -1.72 114.58 117.30 1g76 h GLU 125 Ca 0.14 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.57 1g76 h GLU 125 Cb 0.17 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1g76 h GLU 125 CO -0.01 0.37 0.24 0.28 -1.00 0.00 0.00 179.01 178.88 1g76 h VAL 126 N -0.32 0.82 -0.22 3.13 2.07 -1.38 -1.45 116.25 118.91 1g76 h VAL 126 Ca 0.00 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1g76 h VAL 126 Cb 0.36 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1g76 h VAL 126 CO 0.00 0.08 0.03 -0.03 0.02 0.00 0.00 177.57 177.67 1g76 h MET 127 N 0.44 0.11 -0.17 1.57 -1.53 -0.68 0.13 114.93 114.79 1g76 h MET 127 Ca 0.29 -0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.58 1g76 h MET 127 Cb 0.31 -0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.29 1g76 h MET 127 CO -0.26 0.07 -0.09 -0.22 0.14 0.00 0.00 176.91 176.55 1g76 h LYS 128 N 0.11 -0.07 -0.41 0.39 3.64 -0.34 -2.66 116.57 117.23 1g76 h LYS 128 Ca 0.10 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 1g76 h LYS 128 Cb 0.10 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1g76 h LYS 128 CO -0.14 -0.04 -0.27 -0.92 -2.27 0.00 0.00 179.45 175.80 1g76 h TYR 129 N -0.07 1.07 -0.30 1.91 5.03 -1.10 -3.27 116.97 120.25 1g76 h TYR 129 Ca 0.10 -0.29 0.06 0.00 2.58 0.00 0.00 58.73 61.18 1g76 h TYR 129 Cb 0.21 -0.24 -0.05 0.00 1.55 0.00 0.00 36.73 38.20 1g76 h TYR 129 CO -0.23 1.09 -0.04 0.35 -1.32 0.00 0.00 178.16 178.00 1g76 h PHE 130 N 0.74 -0.10 0.00 -3.82 3.57 -0.77 -2.24 116.94 114.31 1g76 h PHE 130 Ca 0.08 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 1g76 h PHE 130 Cb 0.85 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 1g76 h PHE 130 CO 0.06 -0.10 -0.16 0.72 -2.23 0.00 0.00 178.31 176.61 1g76 n HIS 131 N -5.21 0.00 0.00 0.41 8.25 -1.02 -2.63 115.22 115.02 1g76 n HIS 131 Ca -0.00 -1.15 0.00 0.00 -0.26 0.00 0.00 57.72 56.31 1g76 n HIS 131 Cb 0.16 -0.98 0.00 0.00 1.12 0.00 0.00 29.99 30.29 1g76 n HIS 131 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1g76 n SER 132 N 2.02 0.03 -4.75 0.41 3.41 -0.85 -5.03 113.62 108.86 1g76 n SER 132 Ca 0.19 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.49 1g76 n SER 132 Cb 0.65 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.70 1g76 n SER 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g76 s ARG 133 N -1.01 2.04 0.06 4.33 1.70 -1.08 -4.90 118.95 120.10 1g76 s ARG 133 Ca 0.00 1.29 -0.37 0.00 -0.47 0.00 0.00 55.73 56.17 1g76 s ARG 133 Cb 0.00 -1.86 -0.17 0.00 -0.57 0.00 0.00 34.95 32.34 1g76 s ARG 133 CO 0.00 -1.82 1.31 -2.30 -1.08 0.00 0.00 175.30 171.41 1g76 n PRO 134 N -3.55 0.98 -0.33 3.89 -0.02 -1.26 -4.72 135.00 130.00 1g76 n PRO 134 Ca 0.10 0.35 0.21 0.00 -2.02 0.00 0.00 63.50 62.14 1g76 n PRO 134 Cb 0.53 -1.98 0.41 0.00 -0.02 0.00 0.00 33.50 32.44 1g76 n PRO 134 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1g76 h ARG 135 N 4.41 0.05 -0.05 -0.52 -0.00 -1.96 0.88 114.38 117.20 1g76 h ARG 135 Ca -0.48 -0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.42 1g76 h ARG 135 Cb 1.35 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 31.30 1g76 h ARG 135 CO 0.76 0.04 -0.30 -0.44 -0.00 0.00 0.00 179.97 180.03 1g76 h ASP 136 N 0.06 0.09 0.55 0.08 3.32 -2.00 -2.08 116.42 116.45 1g76 h ASP 136 Ca 0.69 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.57 1g76 h ASP 136 Cb 1.60 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 41.11 1g76 h ASP 136 CO -0.81 0.39 -0.63 0.28 -1.72 0.00 0.00 179.24 176.75 1g76 h SER 137 N 0.08 0.08 -0.47 6.45 0.02 0.44 -0.26 113.55 119.90 1g76 h SER 137 Ca 0.01 -0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.77 1g76 h SER 137 Cb 0.57 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1g76 h SER 137 CO 0.04 0.69 -0.24 1.56 -1.14 0.00 0.00 176.83 177.75 1g76 h GLN 138 N 0.05 0.99 -0.49 3.45 4.20 -0.72 -0.49 115.11 122.10 1g76 h GLN 138 Ca -0.01 -0.44 -0.08 0.00 0.06 0.00 0.00 58.65 58.19 1g76 h GLN 138 Cb 1.13 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 1g76 h GLN 138 CO 0.09 1.11 0.00 0.82 -0.67 0.00 0.00 178.83 180.18 1g76 h ILE 139 N 0.85 1.26 -0.36 2.54 1.08 -1.20 -2.80 117.51 118.88 1g76 h ILE 139 Ca 0.10 -1.07 -0.02 0.00 -0.39 0.00 0.00 64.86 63.48 1g76 h ILE 139 Cb 0.82 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 1g76 h ILE 139 CO 0.07 0.38 0.14 1.23 -0.69 0.00 0.00 178.15 179.27 1g76 h GLY 140 N 0.73 0.54 1.90 5.37 0.00 -0.72 -1.68 103.07 109.20 1g76 h GLY 140 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1g76 h GLY 140 CO 0.03 0.24 0.04 0.00 0.00 0.00 0.00 176.54 176.84 1g76 h ALA 141 N 1.65 1.88 -0.06 3.60 0.00 -0.81 -2.18 119.26 123.34 1g76 h ALA 141 Ca 0.12 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 1g76 h ALA 141 Cb 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1g76 h ALA 141 CO -0.01 0.10 -0.87 -1.49 0.00 0.00 0.00 179.25 176.98 1g76 h TRP 142 N 0.14 0.82 -0.22 0.00 4.06 -1.30 -3.36 115.95 116.09 1g76 h TRP 142 Ca 0.04 -0.40 -0.00 0.00 2.06 0.00 0.00 58.89 60.58 1g76 h TRP 142 Cb 0.04 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.08 1g76 h TRP 142 CO 0.00 1.21 0.13 0.28 -3.56 0.00 0.00 178.44 176.50 1g76 h VAL 143 N 0.36 1.09 -3.48 1.49 2.07 -1.18 -3.44 116.25 113.16 1g76 h VAL 143 Ca -0.07 -0.21 -0.60 0.00 0.82 0.00 0.00 66.70 66.63 1g76 h VAL 143 Cb 1.49 0.84 -0.11 0.00 -1.52 0.00 0.00 31.29 31.99 1g76 h VAL 143 CO 0.16 0.08 -0.13 -0.55 0.02 0.00 0.00 177.57 177.16 1g76 s SER 144 N -5.45 6.49 -1.31 0.57 0.15 -1.15 -4.94 113.70 108.05 1g76 s SER 144 Ca -0.13 0.58 -0.08 0.00 0.70 0.00 0.00 55.95 57.02 1g76 s SER 144 Cb 0.08 -2.26 0.14 0.00 -1.71 0.00 0.00 66.02 62.27 1g76 s SER 144 CO 0.70 -0.12 2.11 1.17 1.20 0.00 0.00 173.24 178.30 1g76 n LYS 145 N 4.63 3.98 -0.71 5.44 4.81 -1.26 -4.97 118.16 130.08 1g76 n LYS 145 Ca -0.07 -3.44 -0.28 0.00 -0.87 0.00 0.00 58.31 53.65 1g76 n LYS 145 Cb 0.51 -2.82 -0.04 0.00 0.02 0.00 0.00 35.03 32.70 1g76 n LYS 145 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1g76 n GLN 146 N 3.08 0.00 0.00 1.64 7.27 -1.26 -1.92 117.38 126.19 1g76 n GLN 146 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.57 1g76 n GLN 146 Cb 0.31 -0.66 0.00 0.00 2.41 0.00 0.00 30.24 32.31 1g76 n GLN 146 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1g76 n SER 147 N 1.22 0.00 -4.82 1.69 7.64 -1.26 -3.87 113.62 114.22 1g76 n SER 147 Ca 0.11 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 1g76 n SER 147 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 1g76 n SER 147 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1g76 s SER 148 N -1.82 6.35 -0.05 6.43 1.04 -0.81 -4.91 113.70 119.95 1g76 s SER 148 Ca 0.00 1.74 -0.30 0.00 0.48 0.00 0.00 55.95 57.87 1g76 s SER 148 Cb 0.00 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 1g76 s SER 148 CO 0.00 -0.77 1.19 -0.13 0.98 0.00 0.00 173.24 174.51 1g76 s ARG 149 N -3.76 4.36 0.06 4.02 0.52 -1.26 -5.01 118.95 117.89 1g76 s ARG 149 Ca 0.63 1.67 0.09 0.00 -0.52 0.00 0.00 55.73 57.59 1g76 s ARG 149 Cb -0.13 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 1g76 s ARG 149 CO 0.28 -0.42 -0.24 0.96 0.02 0.00 0.00 175.30 175.90 1g76 s ILE 150 N 2.09 2.38 -0.62 1.52 -4.36 -1.26 -5.05 121.20 115.91 1g76 s ILE 150 Ca 0.56 -1.39 0.26 0.00 -0.26 0.00 0.00 60.65 59.81 1g76 s ILE 150 Cb -0.25 -1.98 0.30 0.00 1.25 0.00 0.00 42.46 41.78 1g76 s ILE 150 CO 0.23 0.31 1.74 0.28 0.24 0.00 0.00 174.94 177.74 1g76 h SER 151 N 4.53 0.00 -4.68 4.36 0.02 -2.05 -3.47 113.55 112.27 1g76 h SER 151 Ca -0.48 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.48 1g76 h SER 151 Cb 1.15 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.50 1g76 h SER 151 CO 0.44 0.00 0.34 0.00 -1.14 0.00 0.00 176.83 176.47 1g76 s ALA 152 N -3.17 -1.81 0.29 3.77 0.00 -1.26 -5.03 121.76 114.55 1g76 s ALA 152 Ca 0.09 1.30 -0.00 0.00 0.00 0.00 0.00 51.96 53.35 1g76 s ALA 152 Cb 0.10 -0.11 0.43 0.00 0.00 0.00 0.00 23.12 23.54 1g76 s ALA 152 CO 0.59 -0.42 1.83 -0.09 0.00 0.00 0.00 175.76 177.67 1g76 h ARG 153 N 2.67 0.77 -1.02 0.00 2.43 -2.03 -3.01 114.38 114.20 1g76 h ARG 153 Ca -0.24 -0.16 0.26 0.00 -0.81 0.00 0.00 59.98 59.02 1g76 h ARG 153 Cb 1.17 -0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.53 1g76 h ARG 153 CO 0.36 0.72 0.67 0.78 -1.51 0.00 0.00 179.97 180.98 1g76 h GLY 154 N 0.94 0.94 0.53 2.80 0.00 -1.99 0.77 103.07 107.06 1g76 h GLY 154 Ca 0.16 -0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1g76 h GLY 154 CO 0.00 -0.08 0.26 -2.22 0.00 0.00 0.00 176.54 174.50 1g76 h ILE 155 N 0.34 0.85 0.33 2.60 2.04 -1.95 0.17 117.51 121.88 1g76 h ILE 155 Ca 0.55 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 66.23 1g76 h ILE 155 Cb 1.52 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1g76 h ILE 155 CO -0.22 0.09 -0.16 -0.07 0.00 0.00 0.00 178.15 177.79 1g76 h LEU 156 N 0.48 -0.37 -1.72 1.44 3.38 -1.02 -2.55 115.31 114.94 1g76 h LEU 156 Ca 0.28 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.29 1g76 h LEU 156 Cb 0.28 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1g76 h LEU 156 CO -0.24 -0.18 0.34 -0.33 0.09 0.00 0.00 178.44 178.12 1g76 h GLU 157 N -0.55 0.31 0.27 1.13 5.08 -1.21 -1.21 114.58 118.41 1g76 h GLU 157 Ca -0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1g76 h GLU 157 Cb 0.41 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1g76 h GLU 157 CO 0.07 0.21 -0.13 0.77 -1.00 0.00 0.00 179.01 178.93 1g76 h SER 158 N 0.32 -0.31 -0.92 1.42 0.02 -0.54 -2.91 113.55 110.64 1g76 h SER 158 Ca 0.23 0.01 0.26 0.00 -0.84 0.00 0.00 61.79 61.45 1g76 h SER 158 Cb 0.49 0.08 -0.16 0.00 0.14 0.00 0.00 62.40 62.95 1g76 h SER 158 CO -0.05 -0.11 0.21 0.11 -1.14 0.00 0.00 176.83 175.85 1g76 h LYS 159 N -0.59 0.13 0.16 3.45 1.79 -1.29 0.25 116.57 120.47 1g76 h LYS 159 Ca -0.04 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1g76 h LYS 159 Cb 0.28 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1g76 h LYS 159 CO 0.06 0.08 -0.24 0.35 -1.08 0.00 0.00 179.45 178.63 1g76 h PHE 160 N 0.13 -0.64 -0.50 -1.35 3.57 -1.25 -0.77 116.94 116.14 1g76 h PHE 160 Ca 0.59 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 62.03 1g76 h PHE 160 Cb 1.26 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 40.23 1g76 h PHE 160 CO -0.30 -0.34 0.02 -0.07 -2.23 0.00 0.00 178.31 175.39 1g76 h LEU 161 N -0.47 0.78 -2.33 0.59 3.38 -0.97 0.69 115.31 116.99 1g76 h LEU 161 Ca 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1g76 h LEU 161 Cb 0.47 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1g76 h LEU 161 CO -0.10 0.83 -0.03 -0.08 0.09 0.00 0.00 178.44 179.15 1g76 h GLU 162 N 0.77 0.00 0.00 1.13 4.81 -0.59 -2.80 114.58 117.90 1g76 h GLU 162 Ca 0.15 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.07 1g76 h GLU 162 Cb 0.43 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 1g76 h GLU 162 CO 0.02 0.03 -2.20 1.28 -0.73 0.00 0.00 179.01 177.40 1g76 n LEU 163 N -3.26 2.59 -0.29 1.64 4.77 -0.33 -3.09 117.00 119.03 1g76 n LEU 163 Ca -0.02 -0.10 0.29 0.00 -0.03 0.00 0.00 56.01 56.16 1g76 n LEU 163 Cb 0.17 -0.59 0.66 0.00 -2.33 0.00 0.00 43.42 41.33 1g76 n LEU 163 CO 0.25 0.80 1.27 0.50 -1.33 0.00 0.00 177.39 178.88 1g76 h LYS 164 N 0.00 0.14 0.00 3.23 1.63 0.55 0.16 116.57 122.28 1g76 h LYS 164 Ca -0.47 -0.01 -0.31 0.00 -0.85 0.00 0.00 60.65 59.01 1g76 h LYS 164 Cb 1.77 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 33.32 1g76 h LYS 164 CO -0.06 0.09 -2.18 0.00 -3.45 0.00 0.00 179.45 173.85 1g76 n GLN 165 N -4.35 0.89 -0.29 1.90 -0.00 -1.07 -3.43 117.38 111.02 1g76 n GLN 165 Ca 0.24 0.06 0.00 0.00 -0.00 0.00 0.00 57.00 57.30 1g76 n GLN 165 Cb 1.05 -1.43 0.13 0.00 -0.00 0.00 0.00 30.24 30.00 1g76 n GLN 165 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1g76 h LYS 166 N 0.00 0.88 0.00 2.61 3.64 -1.26 0.10 116.57 122.53 1g76 h LYS 166 Ca -0.46 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 58.69 1g76 h LYS 166 Cb 1.88 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 33.47 1g76 h LYS 166 CO -0.03 0.58 -0.84 0.74 -2.27 0.00 0.00 179.45 177.63 1g76 h PHE 167 N 0.90 0.00 0.00 1.91 0.05 -0.94 -3.46 116.94 115.40 1g76 h PHE 167 Ca 0.36 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.15 1g76 h PHE 167 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.14 1g76 h PHE 167 CO -0.04 0.84 0.00 0.94 -0.18 0.00 0.00 178.31 179.87 1g76 n GLN 168 N -3.53 0.00 -0.72 1.51 0.00 0.35 0.29 117.38 115.28 1g76 n GLN 168 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1g76 n GLN 168 Cb 0.81 -4.29 0.00 0.00 0.00 0.00 0.00 30.24 26.76 1g76 n GLN 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1g76 n GLN 169 N -2.00 0.00 -0.16 3.69 1.13 -1.26 -4.94 117.38 113.84 1g76 n GLN 169 Ca 0.00 0.23 0.25 0.00 -1.94 0.00 0.00 57.00 55.54 1g76 n GLN 169 Cb 0.00 -2.61 0.39 0.00 0.11 0.00 0.00 30.24 28.12 1g76 n GLN 169 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1g76 n GLY 170 N -2.72 -0.73 0.00 1.08 0.00 0.15 -4.17 105.19 98.79 1g76 n GLY 170 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1g76 n GLY 170 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1g76 n GLU 171 N -3.17 0.00 -2.57 1.61 2.13 -1.26 -5.07 120.64 112.32 1g76 n GLU 171 Ca 0.21 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.99 1g76 n GLU 171 Cb 1.48 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 33.16 1g76 n GLU 171 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1g76 n VAL 172 N 0.00-12.23 -1.87 6.31 0.31 -1.26 -4.95 118.33 104.65 1g76 n VAL 172 Ca 0.00 2.41 -0.38 0.00 -0.01 0.00 0.00 64.34 66.36 1g76 n VAL 172 Cb 0.00 -6.53 0.04 0.00 -0.91 0.00 0.00 33.84 26.43 1g76 n VAL 172 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1g76 s PRO 173 N -0.94 3.09 -0.05 5.55 0.02 -1.26 -4.96 135.00 136.45 1g76 s PRO 173 Ca -0.20 2.09 -0.30 0.00 0.02 0.00 0.00 61.00 62.61 1g76 s PRO 173 Cb 0.01 -2.16 -0.05 0.00 0.02 0.00 0.00 34.50 32.33 1g76 s PRO 173 CO 0.76 -1.18 1.47 -1.17 -0.33 0.00 0.00 177.00 176.54 1g76 s LEU 174 N -3.68 4.29 0.48 -5.54 2.96 -1.26 -4.97 118.68 110.96 1g76 s LEU 174 Ca 0.73 2.08 -0.23 0.00 -0.22 0.00 0.00 54.13 56.49 1g76 s LEU 174 Cb -0.37 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.71 1g76 s LEU 174 CO 0.43 -0.81 1.25 -2.84 -1.32 0.00 0.00 176.35 173.06 1g76 s PRO 175 N 3.21 3.58 0.50 0.98 0.02 -1.26 -4.89 135.00 137.15 1g76 s PRO 175 Ca 0.66 1.98 0.29 0.00 0.02 0.00 0.00 61.00 63.95 1g76 s PRO 175 Cb -0.30 -2.41 1.18 0.00 0.02 0.00 0.00 34.50 32.99 1g76 s PRO 175 CO 0.25 -0.75 1.92 0.66 -0.33 0.00 0.00 177.00 178.75 1g76 h SER 176 N 1.94 0.00 -0.41 2.53 4.64 -2.00 -2.92 113.55 117.34 1g76 h SER 176 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1g76 h SER 176 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1g76 h SER 176 CO 0.60 0.10 0.00 2.22 -0.87 0.00 0.00 176.83 178.88 1g76 n PHE 177 N -3.25 1.40 -4.18 4.77 1.16 -1.26 -4.84 117.46 111.26 1g76 n PHE 177 Ca 0.00 -0.49 -0.34 0.00 -1.87 0.00 0.00 57.45 54.75 1g76 n PHE 177 Cb 0.35 -0.36 -0.14 0.00 -1.61 0.00 0.00 39.48 37.72 1g76 n PHE 177 CO 0.00 0.00 0.00 -0.46 -1.87 0.00 0.00 176.76 174.43 1g76 s TRP 178 N -2.17 2.91 0.00 2.97 -0.11 -1.11 0.01 118.94 121.44 1g76 s TRP 178 Ca 0.38 -0.89 0.00 0.00 1.22 0.00 0.00 56.10 56.81 1g76 s TRP 178 Cb 0.28 -2.01 0.00 0.00 -1.50 0.00 0.00 33.47 30.24 1g76 s TRP 178 CO 0.12 -0.46 0.00 0.41 -4.62 0.00 0.00 176.95 172.40 1g76 n GLY 179 N 4.38 4.70 3.45 5.86 0.00 -0.09 -4.88 105.19 118.61 1g76 n GLY 179 Ca -0.18 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 1g76 n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g76 s GLY 180 N -0.09 -0.20 0.06 -0.02 0.00 -1.26 -1.05 107.32 104.77 1g76 s GLY 180 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.66 1g76 s GLY 180 CO 0.00 -0.23 -0.11 -1.36 0.00 0.00 0.00 173.10 171.39 1g76 s PHE 181 N -3.84 1.00 -0.22 1.90 0.40 -0.08 -1.01 117.98 116.12 1g76 s PHE 181 Ca 0.07 -0.50 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1g76 s PHE 181 Cb -0.00 -0.57 0.04 0.00 0.51 0.00 0.00 43.02 43.00 1g76 s PHE 181 CO -0.06 -0.00 -0.15 0.50 0.70 0.00 0.00 175.22 176.21 1g76 s ARG 182 N -1.84 2.61 -0.21 0.44 6.06 0.21 -1.66 118.95 124.56 1g76 s ARG 182 Ca -0.04 -1.09 -0.20 0.00 -2.50 0.00 0.00 55.73 51.90 1g76 s ARG 182 Cb -0.09 -2.75 -0.03 0.00 0.06 0.00 0.00 34.95 32.14 1g76 s ARG 182 CO 0.01 -0.40 0.58 0.08 -2.50 0.00 0.00 175.30 173.08 1g76 s VAL 183 N 1.20 5.05 0.68 7.11 1.01 0.11 -1.66 120.40 133.90 1g76 s VAL 183 Ca -0.02 1.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.89 1g76 s VAL 183 Cb -0.17 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1g76 s VAL 183 CO -0.09 0.12 1.10 -0.94 0.00 0.00 0.00 175.10 175.30 1g76 s SER 184 N 1.24 5.02 -0.97 3.32 1.04 0.17 -0.44 113.70 123.07 1g76 s SER 184 Ca 0.26 1.95 -0.12 0.00 0.48 0.00 0.00 55.95 58.52 1g76 s SER 184 Cb -0.16 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.65 1g76 s SER 184 CO 0.10 -1.69 0.97 -0.76 0.98 0.00 0.00 173.24 172.84 1g76 s LEU 185 N -5.07 6.37 0.03 2.42 1.43 -1.26 -3.50 118.68 119.10 1g76 s LEU 185 Ca 0.66 -3.02 0.16 0.00 -1.03 0.00 0.00 54.13 50.89 1g76 s LEU 185 Cb -0.20 -2.24 -0.16 0.00 0.03 0.00 0.00 46.19 43.63 1g76 s LEU 185 CO 0.44 -0.51 0.77 -0.62 0.23 0.00 0.00 176.35 176.67 1g76 n GLU 186 N 3.77 0.62 -3.68 1.70 1.02 -0.03 -4.67 120.64 119.37 1g76 n GLU 186 Ca 0.20 0.24 -0.14 0.00 -0.02 0.00 0.00 57.16 57.44 1g76 n GLU 186 Cb 0.44 -1.80 -0.08 0.00 -0.02 0.00 0.00 31.44 29.97 1g76 n GLU 186 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1g76 s GLN 187 N -2.84 0.70 -0.03 3.49 -0.21 -0.78 -1.43 119.66 118.56 1g76 s GLN 187 Ca -0.03 0.52 -0.01 0.00 0.02 0.00 0.00 55.36 55.86 1g76 s GLN 187 Cb 0.08 0.33 0.03 0.00 1.00 0.00 0.00 33.01 34.46 1g76 s GLN 187 CO 0.82 -0.13 0.05 0.42 -2.12 0.00 0.00 175.29 174.33 1g76 s ILE 188 N -0.19 -0.09 -0.06 1.08 1.01 -0.42 -0.73 121.20 121.79 1g76 s ILE 188 Ca -0.04 0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.97 1g76 s ILE 188 Cb -0.03 -0.13 -0.02 0.00 0.01 0.00 0.00 42.46 42.29 1g76 s ILE 188 CO 0.03 0.13 -0.18 -0.70 0.00 0.00 0.00 174.94 174.22 1g76 s GLU 189 N 1.63 2.65 -0.07 2.79 2.12 0.74 -0.34 118.70 128.22 1g76 s GLU 189 Ca -0.02 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.57 1g76 s GLU 189 Cb -0.12 -2.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.91 1g76 s GLU 189 CO -0.03 0.47 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.93 1g76 s PHE 190 N -0.35 2.67 -0.04 5.30 0.40 -0.49 -1.02 117.98 124.46 1g76 s PHE 190 Ca 0.03 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.00 1g76 s PHE 190 Cb -0.12 -1.67 0.01 0.00 0.51 0.00 0.00 43.02 41.75 1g76 s PHE 190 CO 0.02 0.02 -0.07 -0.46 0.70 0.00 0.00 175.22 175.42 1g76 s TRP 191 N -0.37 0.91 -0.02 0.36 -0.00 0.05 -1.75 118.94 118.12 1g76 s TRP 191 Ca 0.04 -0.26 0.01 0.00 -0.00 0.00 0.00 56.10 55.88 1g76 s TRP 191 Cb -0.12 -0.71 0.02 0.00 -0.00 0.00 0.00 33.47 32.66 1g76 s TRP 191 CO 0.02 -0.16 -0.02 -1.14 -0.00 0.00 0.00 176.95 175.65 1g76 s GLN 192 N 0.55 0.41 0.08 5.86 0.74 -0.18 -0.99 119.66 126.14 1g76 s GLN 192 Ca -0.08 -0.02 -0.35 0.00 0.05 0.00 0.00 55.36 54.95 1g76 s GLN 192 Cb -0.12 -0.50 -0.19 0.00 1.10 0.00 0.00 33.01 33.30 1g76 s GLN 192 CO 0.01 -0.06 0.92 0.41 -0.55 0.00 0.00 175.29 176.01 1g76 n GLY 193 N 3.80 -0.68 3.23 2.59 0.00 0.25 -1.62 105.19 112.75 1g76 n GLY 193 Ca -0.23 0.60 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 1g76 n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g76 s GLY 194 N -0.30 1.05 0.74 -0.02 0.00 -1.26 -4.63 107.32 102.89 1g76 s GLY 194 Ca 0.81 -0.98 -0.14 0.00 0.00 0.00 0.00 44.72 44.41 1g76 s GLY 194 CO 0.56 -0.89 1.18 -1.83 0.00 0.00 0.00 173.10 172.12 1g76 s GLU 195 N -0.97 2.14 -1.06 2.90 1.03 -1.26 -3.06 118.70 118.43 1g76 s GLU 195 Ca 0.07 1.65 0.00 0.00 0.03 0.00 0.00 54.97 56.72 1g76 s GLU 195 Cb -0.08 -1.84 0.00 0.00 -0.80 0.00 0.00 34.13 31.40 1g76 s GLU 195 CO 0.01 -1.81 0.00 0.72 -1.33 0.00 0.00 175.26 172.85 1g76 n HIS 196 N -2.85 -0.62 -0.77 4.83 8.25 -1.26 -0.50 115.22 122.30 1g76 n HIS 196 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1g76 n HIS 196 Cb 0.51 -2.24 0.00 0.00 1.12 0.00 0.00 29.99 29.38 1g76 n HIS 196 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1g76 n ARG 197 N -1.79 0.00 -3.41 -0.41 3.00 -1.17 -5.00 116.66 107.88 1g76 n ARG 197 Ca -0.10 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.31 1g76 n ARG 197 Cb 0.36 -2.27 -0.02 0.00 0.00 0.00 0.00 32.46 30.53 1g76 n ARG 197 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1g76 s LEU 198 N 0.00 6.31 0.60 6.15 1.43 0.35 -4.93 118.68 128.59 1g76 s LEU 198 Ca 0.00 -3.20 -0.11 0.00 -1.03 0.00 0.00 54.13 49.79 1g76 s LEU 198 Cb 0.00 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1g76 s LEU 198 CO 0.00 -0.39 1.01 -1.00 0.23 0.00 0.00 176.35 176.20 1g76 s HIS 199 N -0.62 3.60 -0.15 0.29 3.76 -1.26 -4.00 115.29 116.92 1g76 s HIS 199 Ca 0.24 1.29 -0.14 0.00 -0.15 0.00 0.00 55.06 56.30 1g76 s HIS 199 Cb -0.11 -2.71 -0.05 0.00 1.11 0.00 0.00 32.58 30.83 1g76 s HIS 199 CO -0.09 -0.63 0.30 -0.51 -0.85 0.00 0.00 174.74 172.97 1g76 s ASP 200 N -4.04 6.47 -0.03 1.40 1.01 -0.64 -4.47 116.67 116.37 1g76 s ASP 200 Ca 0.55 0.55 0.01 0.00 0.71 0.00 0.00 52.55 54.37 1g76 s ASP 200 Cb -0.11 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.66 1g76 s ASP 200 CO 0.51 0.12 -0.01 -0.13 0.21 0.00 0.00 175.17 175.87 1g76 s ARG 201 N 0.30 0.38 -0.04 8.23 0.52 -1.26 -1.00 118.95 126.07 1g76 s ARG 201 Ca 0.17 0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 1g76 s ARG 201 Cb -0.13 -0.49 0.02 0.00 0.52 0.00 0.00 34.95 34.87 1g76 s ARG 201 CO 0.05 -0.08 -0.02 -0.06 0.02 0.00 0.00 175.30 175.21 1g76 s PHE 202 N 0.77 0.51 -0.24 -0.53 0.40 -0.72 -1.59 117.98 116.57 1g76 s PHE 202 Ca -0.08 -0.09 -0.05 0.00 -0.60 0.00 0.00 56.93 56.11 1g76 s PHE 202 Cb -0.11 -0.54 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 1g76 s PHE 202 CO -0.01 -0.17 0.01 -1.17 0.70 0.00 0.00 175.22 174.58 1g76 s LEU 203 N 1.06 3.25 -0.20 -0.37 2.96 0.65 -1.39 118.68 124.64 1g76 s LEU 203 Ca -0.09 -0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 53.22 1g76 s LEU 203 Cb -0.14 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1g76 s LEU 203 CO -0.01 -0.06 0.49 -0.31 -1.32 0.00 0.00 176.35 175.13 1g76 s TYR 204 N 1.52 3.37 -0.21 5.38 1.51 0.53 -1.80 117.35 127.65 1g76 s TYR 204 Ca 0.05 0.73 0.01 0.00 -1.01 0.00 0.00 57.07 56.85 1g76 s TYR 204 Cb -0.15 -2.63 0.04 0.00 -0.11 0.00 0.00 41.96 39.11 1g76 s TYR 204 CO -0.00 -0.08 -0.10 -1.14 -1.11 0.00 0.00 175.55 173.11 1g76 s GLN 205 N 1.56 2.07 -0.01 -0.62 0.74 0.89 -1.31 119.66 122.98 1g76 s GLN 205 Ca 0.23 -0.91 -0.33 0.00 0.05 0.00 0.00 55.36 54.40 1g76 s GLN 205 Cb -0.15 -2.49 -0.11 0.00 1.10 0.00 0.00 33.01 31.36 1g76 s GLN 205 CO 0.09 -0.45 1.88 -2.13 -0.55 0.00 0.00 175.29 174.13 1g76 n ARG 206 N 4.65 2.43 -3.67 1.67 3.00 -0.52 -1.24 116.66 122.98 1g76 n ARG 206 Ca -0.15 0.89 -0.17 0.00 -0.00 0.00 0.00 57.85 58.42 1g76 n ARG 206 Cb 0.46 -2.76 -0.16 0.00 0.00 0.00 0.00 32.46 30.00 1g76 n ARG 206 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1g76 s GLU 207 N 3.76 0.03 7.96 -0.14 2.12 0.12 -4.92 118.70 127.63 1g76 s GLU 207 Ca 0.89 0.55 0.00 0.00 0.36 0.00 0.00 54.97 56.77 1g76 s GLU 207 Cb -0.60 -0.27 0.00 0.00 0.26 0.00 0.00 34.13 33.52 1g76 s GLU 207 CO 0.46 -0.30 0.00 0.09 -0.54 0.00 0.00 175.26 174.97 1g76 n ASN 208 N 5.25 0.00 -2.22 -1.70 3.02 -1.26 -1.27 115.26 117.09 1g76 n ASN 208 Ca -0.06 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.18 1g76 n ASN 208 Cb 0.50 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.75 1g76 n ASN 208 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1g76 n ASP 209 N 5.09 6.68 -2.84 6.41 8.00 -1.26 -4.98 116.55 133.66 1g76 n ASP 209 Ca 0.00 -3.77 -0.08 0.00 0.71 0.00 0.00 54.79 51.65 1g76 n ASP 209 Cb 0.00 -0.84 0.03 0.00 -0.02 0.00 0.00 41.12 40.29 1g76 n ASP 209 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g76 n ALA 210 N -0.91 -1.90 -3.50 2.24 0.00 -0.39 -5.16 120.51 110.89 1g76 n ALA 210 Ca 0.58 -1.21 -0.34 0.00 0.00 0.00 0.00 53.44 52.47 1g76 n ALA 210 Cb 0.82 0.92 -0.14 0.00 0.00 0.00 0.00 19.45 21.05 1g76 n ALA 210 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1g76 s TRP 211 N -2.25 2.88 -0.18 0.00 0.52 -1.26 0.11 118.94 118.76 1g76 s TRP 211 Ca 0.17 -0.99 -0.16 0.00 0.02 0.00 0.00 56.10 55.14 1g76 s TRP 211 Cb -0.05 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.24 1g76 s TRP 211 CO 0.11 -0.50 0.39 0.21 0.02 0.00 0.00 176.95 177.18 1g76 s LYS 212 N 1.12 4.22 -0.10 4.98 2.20 -0.37 -4.85 119.74 126.94 1g76 s LYS 212 Ca 0.01 0.22 -0.00 0.00 -0.36 0.00 0.00 55.97 55.84 1g76 s LYS 212 Cb -0.14 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 1g76 s LYS 212 CO -0.03 0.05 -0.08 0.42 -0.36 0.00 0.00 175.35 175.35 1g76 s ILE 213 N 1.04 3.57 0.00 5.43 1.01 -1.26 -0.07 121.20 130.91 1g76 s ILE 213 Ca 0.20 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1g76 s ILE 213 Cb -0.14 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 1g76 s ILE 213 CO 0.07 0.56 -0.02 -1.81 0.00 0.00 0.00 174.94 173.74 1g76 s ASP 214 N -0.26 0.22 0.19 3.58 1.01 -0.75 -4.98 116.67 115.69 1g76 s ASP 214 Ca 0.03 -0.13 -0.19 0.00 0.71 0.00 0.00 52.55 52.97 1g76 s ASP 214 Cb -0.13 0.00 -0.08 0.00 1.01 0.00 0.00 42.92 43.73 1g76 s ASP 214 CO 0.03 -0.04 0.69 -0.60 0.21 0.00 0.00 175.17 175.45 1g76 s ARG 215 N -0.33 4.24 -0.00 8.23 3.52 -1.26 -0.25 118.95 133.09 1g76 s ARG 215 Ca -0.02 0.83 0.07 0.00 -0.13 0.00 0.00 55.73 56.48 1g76 s ARG 215 Cb -0.02 -2.96 -0.02 0.00 -1.56 0.00 0.00 34.95 30.38 1g76 s ARG 215 CO -0.00 0.45 -0.23 -0.51 -0.81 0.00 0.00 175.30 174.20 1g76 s LEU 216 N -1.80 2.29 0.39 -0.88 1.43 -0.62 -4.92 118.68 114.57 1g76 s LEU 216 Ca 0.40 -0.44 -0.27 0.00 -1.03 0.00 0.00 54.13 52.79 1g76 s LEU 216 Cb -0.17 -1.40 -0.10 0.00 0.03 0.00 0.00 46.19 44.55 1g76 s LEU 216 CO 0.21 0.30 1.44 0.00 0.23 0.00 0.00 176.35 178.53 1g76 s ALA 217 N -0.73 3.47 -2.00 4.21 0.00 -1.26 -4.26 121.76 121.20 1g76 s ALA 217 Ca 0.11 1.48 0.20 0.00 0.00 0.00 0.00 51.96 53.75 1g76 s ALA 217 Cb -0.10 -3.58 1.17 0.00 0.00 0.00 0.00 23.12 20.61 1g76 s ALA 217 CO 0.01 -1.01 1.56 -0.35 0.00 0.00 0.00 175.76 175.97