#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gm6 s LEU 6 N 0.00 4.32 -0.15 3.41 1.43 -1.26 -5.02 118.68 121.41 3gm6 s LEU 6 Ca 0.00 2.70 0.01 0.00 -1.03 0.00 0.00 54.13 55.81 3gm6 s LEU 6 Cb 0.00 -3.76 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 3gm6 s LEU 6 CO 0.00 -0.70 -0.16 -0.54 0.23 0.00 0.00 176.35 175.18 3gm6 s LYS 7 N -2.02 3.21 0.61 1.70 -0.14 -1.26 -5.12 119.74 116.72 3gm6 s LYS 7 Ca 0.53 -0.76 -0.18 0.00 -1.36 0.00 0.00 55.97 54.20 3gm6 s LYS 7 Cb -0.40 -2.59 -0.03 0.00 -1.68 0.00 0.00 37.83 33.14 3gm6 s LYS 7 CO 0.52 0.05 1.20 -1.25 -0.76 0.00 0.00 175.35 175.11 3gm6 s PRO 8 N 0.73 2.89 0.34 -1.68 0.04 -1.26 -4.86 135.00 131.21 3gm6 s PRO 8 Ca -0.07 1.80 0.08 0.00 0.04 0.00 0.00 61.00 62.85 3gm6 s PRO 8 Cb -0.16 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 3gm6 s PRO 8 CO 0.01 -1.26 0.24 0.14 0.04 0.00 0.00 177.00 176.17 3gm6 s VAL 9 N -1.66 3.26 -0.80 -0.36 -7.23 -1.26 -5.05 120.40 107.30 3gm6 s VAL 9 Ca 0.77 -1.49 -0.26 0.00 -1.81 0.00 0.00 61.98 59.19 3gm6 s VAL 9 Cb -0.30 -3.09 0.01 0.00 0.56 0.00 0.00 36.38 33.56 3gm6 s VAL 9 CO 0.34 -0.16 1.52 -0.62 -0.31 0.00 0.00 175.10 175.88 3gm6 s ASP 10 N -3.95 5.93 0.35 4.85 -1.08 -1.26 -4.86 116.67 116.65 3gm6 s ASP 10 Ca 0.40 -0.54 0.06 0.00 -0.52 0.00 0.00 52.55 51.95 3gm6 s ASP 10 Cb -0.04 -2.56 0.66 0.00 -1.46 0.00 0.00 42.92 39.52 3gm6 s ASP 10 CO 0.25 -1.99 1.89 0.00 0.52 0.00 0.00 175.17 175.84 3gm6 h ALA 11 N 11.19 1.41 -0.77 3.66 0.00 -2.00 -2.73 119.26 130.01 3gm6 h ALA 11 Ca -0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3gm6 h ALA 11 Cb 1.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3gm6 h ALA 11 CO 1.29 0.41 0.48 0.52 0.00 0.00 0.00 179.25 181.95 3gm6 h MET 12 N 0.42 1.04 -0.28 0.00 2.86 -1.99 -0.80 114.93 116.17 3gm6 h MET 12 Ca 0.09 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3gm6 h MET 12 Cb 0.35 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3gm6 h MET 12 CO 0.01 0.71 0.17 0.37 1.06 0.00 0.00 176.91 179.24 3gm6 h GLN 13 N 1.06 0.38 -0.78 1.72 4.15 -1.90 -2.19 115.11 117.54 3gm6 h GLN 13 Ca 0.28 -0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.76 3gm6 h GLN 13 Cb -0.07 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 27.47 3gm6 h GLN 13 CO -0.05 0.28 0.43 0.00 -1.93 0.00 0.00 178.83 177.56 3gm6 h PHE 15 N 0.73 0.00 -0.12 0.00 0.04 -0.57 -2.35 116.94 114.67 3gm6 h PHE 15 Ca 0.38 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.18 3gm6 h PHE 15 Cb 0.36 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 3gm6 h PHE 15 CO -0.08 0.00 0.13 -0.44 -0.60 0.00 0.00 178.31 177.32 3gm6 h ASP 16 N 0.00 0.00 -0.00 2.17 3.32 -0.99 -2.82 116.42 118.10 3gm6 h ASP 16 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gm6 h ASP 16 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3gm6 h ASP 16 CO 0.00 0.00 -0.07 0.00 -1.72 0.00 0.00 179.24 177.45 3gm6 n HIS 18 N -0.36 2.62 0.08 0.00 8.25 -0.92 -4.92 115.22 119.97 3gm6 n HIS 18 Ca 0.01 -3.95 -0.01 0.00 -0.26 0.00 0.00 57.72 53.52 3gm6 n HIS 18 Cb 0.07 -0.47 0.28 0.00 1.12 0.00 0.00 29.99 30.98 3gm6 n HIS 18 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3gm6 h THR 19 N 2.47 1.26 -0.31 1.59 2.02 -1.88 -0.54 112.91 117.51 3gm6 h THR 19 Ca 0.13 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 3gm6 h THR 19 Cb 0.68 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 3gm6 h THR 19 CO 0.71 0.37 0.15 -0.61 0.37 0.00 0.00 175.52 176.51 3gm6 h GLN 20 N 0.26 0.45 -0.46 6.66 4.15 -1.93 -1.81 115.11 122.43 3gm6 h GLN 20 Ca 0.04 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 3gm6 h GLN 20 Cb 0.63 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 3gm6 h GLN 20 CO 0.05 0.43 -0.04 0.82 -1.93 0.00 0.00 178.83 178.15 3gm6 h ILE 21 N 0.37 1.27 -0.54 2.39 1.08 -1.93 -3.07 117.51 117.07 3gm6 h ILE 21 Ca 0.11 -1.13 0.11 0.00 -0.39 0.00 0.00 64.86 63.56 3gm6 h ILE 21 Cb 0.13 1.06 -0.09 0.00 -3.07 0.00 0.00 36.82 34.85 3gm6 h ILE 21 CO -0.01 0.39 -0.03 -0.08 -0.69 0.00 0.00 178.15 177.73 3gm6 h GLU 22 N 0.69 0.09 0.00 2.37 4.81 -0.88 0.15 114.58 121.81 3gm6 h GLU 22 Ca 0.13 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3gm6 h GLU 22 Cb 0.56 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 3gm6 h GLU 22 CO 0.03 0.06 -0.07 -0.44 -0.73 0.00 0.00 179.01 177.86 3gm6 h ASP 23 N 0.09 0.00 0.03 1.04 3.32 -1.24 -1.63 116.42 118.04 3gm6 h ASP 23 Ca 0.28 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.06 3gm6 h ASP 23 Cb 0.43 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3gm6 h ASP 23 CO -0.48 0.07 -1.44 0.24 -1.72 0.00 0.00 179.24 175.92 3gm6 h MET 24 N 0.00 0.07 -0.38 3.56 2.86 -1.27 -3.40 114.93 116.36 3gm6 h MET 24 Ca -0.00 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 3gm6 h MET 24 Cb 0.31 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3gm6 h MET 24 CO 0.01 1.06 0.07 1.25 1.06 0.00 0.00 176.91 180.35 3gm6 h HIS 25 N -0.74 0.67 0.00 -0.22 -0.00 -0.62 -3.12 115.15 111.12 3gm6 h HIS 25 Ca -0.37 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 3gm6 h HIS 25 Cb 1.49 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 3gm6 h HIS 25 CO 0.09 0.67 0.00 1.79 -0.00 0.00 0.00 177.93 180.48 3gm6 h THR 26 N 0.48 0.00 0.00 6.26 1.35 -1.51 -3.17 112.91 116.31 3gm6 h THR 26 Ca 0.12 -0.39 -0.32 0.00 -0.55 0.00 0.00 66.41 65.26 3gm6 h THR 26 Cb 0.35 1.27 -0.06 0.00 -1.73 0.00 0.00 68.15 67.98 3gm6 h THR 26 CO 0.01 0.00 -2.28 0.52 -0.25 0.00 0.00 175.52 173.51 3gm6 n VAL 27 N -2.65 1.22 -2.00 6.82 0.31 -1.22 -4.83 118.33 115.98 3gm6 n VAL 27 Ca 0.02 -0.79 -0.02 0.00 -0.01 0.00 0.00 64.34 63.54 3gm6 n VAL 27 Cb 0.28 -0.45 0.01 0.00 -0.91 0.00 0.00 33.84 32.77 3gm6 n VAL 27 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gm6 n GLY 28 N 1.79 0.33 0.00 2.92 0.00 -1.18 -4.97 105.19 104.07 3gm6 n GLY 28 Ca -0.29 -1.90 0.04 0.00 0.00 0.00 0.00 46.02 43.87 3gm6 n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gm6 n LYS 29 N -1.15 0.98 -0.47 1.61 5.02 -1.16 -2.58 118.16 120.42 3gm6 n LYS 29 Ca 0.01 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.38 3gm6 n LYS 29 Cb 0.04 -1.12 0.27 0.00 -0.02 0.00 0.00 35.03 34.21 3gm6 n LYS 29 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3gm6 n HIS 30 N -0.62 1.08 0.15 2.13 8.25 -1.26 -4.72 115.22 120.22 3gm6 n HIS 30 Ca 0.06 -0.70 0.15 0.00 -0.26 0.00 0.00 57.72 56.97 3gm6 n HIS 30 Cb 0.03 -0.24 0.71 0.00 1.12 0.00 0.00 29.99 31.60 3gm6 n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gm6 h ALA 31 N 2.68 2.15 -0.06 -1.41 0.00 -1.47 -0.57 119.26 120.59 3gm6 h ALA 31 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gm6 h ALA 31 Cb 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3gm6 h ALA 31 CO 0.19 -0.32 0.00 0.25 0.00 0.00 0.00 179.25 179.37 3gm6 n THR 32 N -4.31 0.05 -3.06 0.00 -2.24 -1.26 -4.89 114.28 98.57 3gm6 n THR 32 Ca 0.03 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 3gm6 n THR 32 Cb 0.34 0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 3gm6 n THR 32 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gm6 s VAL 33 N -1.95 4.80 0.48 2.28 1.01 -0.22 -5.04 120.40 121.76 3gm6 s VAL 33 Ca 0.33 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.53 3gm6 s VAL 33 Cb 0.20 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 3gm6 s VAL 33 CO 0.31 -0.50 1.18 0.21 0.00 0.00 0.00 175.10 176.30 3gm6 s ASN 34 N 1.93 6.02 0.50 3.32 3.84 -1.26 -4.92 114.94 124.37 3gm6 s ASN 34 Ca 0.26 2.32 0.24 0.00 0.21 0.00 0.00 52.86 55.89 3gm6 s ASN 34 Cb -0.14 -2.60 1.32 0.00 -0.55 0.00 0.00 41.25 39.28 3gm6 s ASN 34 CO 0.18 -1.02 1.95 0.00 -2.79 0.00 0.00 177.10 175.41 3gm6 h VAL 36 N 0.11 0.10 0.00 0.00 3.04 -1.89 -0.49 116.25 117.12 3gm6 h VAL 36 Ca 0.33 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 66.00 3gm6 h VAL 36 Cb 1.13 1.01 -0.00 0.00 -2.01 0.00 0.00 31.29 31.41 3gm6 h VAL 36 CO -0.04 0.00 -0.03 0.45 -1.01 0.00 0.00 177.57 176.94 3gm6 h HIS 37 N 0.00 0.00 0.00 3.17 3.86 -1.82 -3.35 115.15 117.01 3gm6 h HIS 37 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gm6 h HIS 37 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3gm6 h HIS 37 CO 0.00 0.03 0.00 0.00 0.86 0.00 0.00 177.93 178.82 3gm6 s HIS 39 N -0.09 0.68 -0.38 0.00 3.76 -0.28 -0.39 115.29 118.58 3gm6 s HIS 39 Ca 0.00 -0.13 -0.04 0.00 -0.15 0.00 0.00 55.06 54.74 3gm6 s HIS 39 Cb 0.00 -0.44 0.09 0.00 1.11 0.00 0.00 32.58 33.34 3gm6 s HIS 39 CO 0.00 -0.01 0.17 0.34 -0.85 0.00 0.00 174.74 174.38 3gm6 s ASP 40 N -0.19 5.26 -0.08 1.40 -1.08 -0.82 -4.30 116.67 116.86 3gm6 s ASP 40 Ca 0.03 -1.72 0.12 0.00 -0.52 0.00 0.00 52.55 50.46 3gm6 s ASP 40 Cb -0.03 -1.84 0.18 0.00 -1.46 0.00 0.00 42.92 39.77 3gm6 s ASP 40 CO -0.00 -0.47 1.07 0.00 0.52 0.00 0.00 175.17 176.29 3gm6 n ALA 41 N 4.68 2.12 0.05 3.66 0.00 -1.26 -1.65 120.51 128.11 3gm6 n ALA 41 Ca -0.07 -1.99 -0.13 0.00 0.00 0.00 0.00 53.44 51.26 3gm6 n ALA 41 Cb 0.42 -0.28 -0.08 0.00 0.00 0.00 0.00 19.45 19.51 3gm6 n ALA 41 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3gm6 h THR 42 N 0.79 1.05 -0.22 0.00 2.02 -1.99 -0.24 112.91 114.32 3gm6 h THR 42 Ca 0.00 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.70 3gm6 h THR 42 Cb 0.92 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 3gm6 h THR 42 CO 0.00 0.09 -0.38 -0.33 0.37 0.00 0.00 175.52 175.27 3gm6 h GLU 43 N -0.24 0.49 -0.13 6.66 5.08 -1.95 -2.62 114.58 121.88 3gm6 h GLU 43 Ca -0.01 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3gm6 h GLU 43 Cb 0.21 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 3gm6 h GLU 43 CO 0.01 0.80 -0.16 1.25 -1.00 0.00 0.00 179.01 179.92 3gm6 h HIS 44 N 0.41 -0.40 -0.42 4.33 2.76 -1.66 -2.44 115.15 117.73 3gm6 h HIS 44 Ca 0.04 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.19 3gm6 h HIS 44 Cb 0.85 0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.99 3gm6 h HIS 44 CO 0.03 -0.23 0.07 0.28 -1.30 0.00 0.00 177.93 176.78 3gm6 h VAL 45 N -0.20 1.20 0.00 5.26 2.07 -0.88 0.08 116.25 123.78 3gm6 h VAL 45 Ca 0.10 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3gm6 h VAL 45 Cb 0.34 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3gm6 h VAL 45 CO -0.25 0.27 -0.06 -0.33 0.02 0.00 0.00 177.57 177.22 3gm6 h GLU 46 N 0.62 0.00 0.00 1.57 5.08 -1.07 -3.35 114.58 117.44 3gm6 h GLU 46 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3gm6 h GLU 46 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3gm6 h GLU 46 CO 0.00 0.06 -0.26 0.25 -1.00 0.00 0.00 179.01 178.07 3gm6 n THR 47 N -3.23 0.00 -2.09 1.13 -2.24 -0.83 -5.08 114.28 101.94 3gm6 n THR 47 Ca -0.00 -0.31 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 3gm6 n THR 47 Cb 0.29 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 3gm6 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gm6 s ALA 48 N -1.13 3.16 0.41 6.98 0.00 -0.05 -4.37 121.76 126.77 3gm6 s ALA 48 Ca 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 51.85 3gm6 s ALA 48 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 3gm6 s ALA 48 CO 0.00 -0.57 0.05 -1.54 0.00 0.00 0.00 175.76 173.71 3gm6 s SER 49 N -4.04 3.23 0.35 0.00 1.04 -0.55 -4.97 113.70 108.76 3gm6 s SER 49 Ca 0.54 -1.53 0.24 0.00 0.48 0.00 0.00 55.95 55.69 3gm6 s SER 49 Cb -0.11 0.16 1.28 0.00 0.10 0.00 0.00 66.02 67.45 3gm6 s SER 49 CO 0.50 -0.72 1.75 0.77 0.98 0.00 0.00 173.24 176.51 3gm6 h SER 50 N 1.76 0.00 0.00 7.02 4.64 -1.96 -3.00 113.55 122.02 3gm6 h SER 50 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3gm6 h SER 50 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3gm6 h SER 50 CO 0.70 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.20 3gm6 n ARG 51 N -2.35 1.04 -3.69 4.77 1.74 -1.26 -5.00 116.66 111.90 3gm6 n ARG 51 Ca -0.01 -0.98 -0.14 0.00 -0.77 0.00 0.00 57.85 55.94 3gm6 n ARG 51 Cb 0.07 -0.97 -0.14 0.00 -1.02 0.00 0.00 32.46 30.40 3gm6 n ARG 51 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gm6 s ARG 52 N -0.50 0.11 0.35 5.56 3.52 -1.13 -5.03 118.95 121.84 3gm6 s ARG 52 Ca 0.00 0.58 0.03 0.00 -0.13 0.00 0.00 55.73 56.21 3gm6 s ARG 52 Cb 0.00 -0.15 0.65 0.00 -1.56 0.00 0.00 34.95 33.89 3gm6 s ARG 52 CO 0.00 -0.24 2.00 1.98 -0.81 0.00 0.00 175.30 178.23 3gm6 h MET 53 N 7.89 0.78 0.00 5.12 1.85 -1.93 -1.45 114.93 127.20 3gm6 h MET 53 Ca -0.25 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 58.79 3gm6 h MET 53 Cb 1.13 -0.17 0.00 0.00 0.43 0.00 0.00 31.60 32.99 3gm6 h MET 53 CO 0.24 0.53 0.00 0.41 -0.40 0.00 0.00 176.91 177.69 3gm6 n GLY 54 N -1.39 1.08 3.77 1.39 0.00 -1.26 -4.20 105.19 104.58 3gm6 n GLY 54 Ca 0.06 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 3gm6 n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gm6 s GLU 55 N 0.00 4.28 -0.11 1.61 0.41 -1.26 -4.93 118.70 118.69 3gm6 s GLU 55 Ca 0.00 2.32 -0.30 0.00 -0.41 0.00 0.00 54.97 56.59 3gm6 s GLU 55 Cb 0.00 -3.05 -0.02 0.00 -1.78 0.00 0.00 34.13 29.29 3gm6 s GLU 55 CO 0.00 -0.31 1.14 0.50 -0.49 0.00 0.00 175.26 176.11 3gm6 s ARG 56 N -1.75 4.34 0.61 1.61 3.52 -1.26 -4.13 118.95 121.89 3gm6 s ARG 56 Ca 0.51 1.56 -0.15 0.00 -0.13 0.00 0.00 55.73 57.52 3gm6 s ARG 56 Cb -0.42 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.34 3gm6 s ARG 56 CO 0.55 -0.48 1.06 -1.25 -0.81 0.00 0.00 175.30 174.37 3gm6 s PRO 57 N 2.52 3.22 0.11 5.12 0.04 -1.26 -4.86 135.00 139.88 3gm6 s PRO 57 Ca 0.52 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 62.57 3gm6 s PRO 57 Cb -0.21 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 3gm6 s PRO 57 CO 0.18 -0.89 0.60 0.08 0.04 0.00 0.00 177.00 177.01 3gm6 s VAL 58 N -2.51 4.71 -0.08 -0.36 1.01 -0.66 -4.94 120.40 117.57 3gm6 s VAL 58 Ca 0.63 1.20 0.04 0.00 0.00 0.00 0.00 61.98 63.85 3gm6 s VAL 58 Cb -0.16 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 3gm6 s VAL 58 CO 0.39 0.46 -0.22 -0.89 0.00 0.00 0.00 175.10 174.84 3gm6 s THR 59 N -1.23 1.86 -0.05 3.92 2.01 -1.26 -1.95 115.64 118.95 3gm6 s THR 59 Ca 0.33 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 3gm6 s THR 59 Cb -0.19 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 3gm6 s THR 59 CO 0.20 0.52 0.94 -0.13 -0.69 0.00 0.00 174.62 175.46 3gm6 s ARG 60 N 0.23 4.49 0.00 4.92 0.52 0.47 -4.93 118.95 124.66 3gm6 s ARG 60 Ca -0.13 1.32 0.12 0.00 -0.52 0.00 0.00 55.73 56.52 3gm6 s ARG 60 Cb -0.16 -3.49 -0.07 0.00 0.52 0.00 0.00 34.95 31.75 3gm6 s ARG 60 CO 0.06 -0.13 0.57 -1.33 0.02 0.00 0.00 175.30 174.50 3gm6 n MET 61 N 4.27 2.73 -1.95 3.54 2.81 -1.26 -4.97 117.12 122.29 3gm6 n MET 61 Ca 0.06 -0.28 -0.38 0.00 -1.81 0.00 0.00 57.70 55.29 3gm6 n MET 61 Cb 0.50 -1.08 0.02 0.00 -0.71 0.00 0.00 33.22 31.95 3gm6 n MET 61 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3gm6 s ASP 62 N -1.84 5.71 0.50 7.83 -4.77 -1.26 -4.87 116.67 117.97 3gm6 s ASP 62 Ca 0.07 2.64 0.28 0.00 -3.30 0.00 0.00 52.55 52.24 3gm6 s ASP 62 Cb 0.09 -2.63 1.26 0.00 -1.09 0.00 0.00 42.92 40.55 3gm6 s ASP 62 CO 0.40 -1.26 1.97 -0.07 0.70 0.00 0.00 175.17 176.90 3gm6 h LEU 63 N 1.86 0.00 -2.02 2.11 4.07 -1.95 -2.82 115.31 116.57 3gm6 h LEU 63 Ca -0.50 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.46 3gm6 h LEU 63 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 3gm6 h LEU 63 CO 0.59 0.13 0.00 -0.33 -1.08 0.00 0.00 178.44 177.76 3gm6 h GLU 64 N 0.00 0.00 0.00 1.13 3.07 -1.95 -1.07 114.58 115.76 3gm6 h GLU 64 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3gm6 h GLU 64 Cb 0.53 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 3gm6 h GLU 64 CO 0.02 0.00 -0.04 0.00 -1.40 0.00 0.00 179.01 177.59 3gm6 h ALA 65 N 2.02 1.21 0.00 3.43 0.00 -1.84 -2.71 119.26 121.37 3gm6 h ALA 65 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 3gm6 h ALA 65 Cb 0.25 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 3gm6 h ALA 65 CO 0.00 0.05 -2.33 0.00 0.00 0.00 0.00 179.25 176.97 3gm6 h ALA 67 N 0.95 1.19 -0.73 0.00 0.00 -1.10 -1.36 119.26 118.20 3gm6 h ALA 67 Ca -0.53 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.36 3gm6 h ALA 67 Cb 2.19 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.92 3gm6 h ALA 67 CO 0.03 0.09 0.45 0.00 0.00 0.00 0.00 179.25 179.81 3gm6 h THR 68 N 0.00 1.06 -0.00 0.00 1.03 -1.78 -2.53 112.91 110.69 3gm6 h THR 68 Ca -0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 3gm6 h THR 68 Cb 0.29 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 67.50 3gm6 h THR 68 CO 0.01 0.16 -0.68 0.00 -0.01 0.00 0.00 175.52 174.99 3gm6 n HIS 70 N -1.10 1.74 -0.31 0.00 8.25 -0.53 -4.96 115.22 118.31 3gm6 n HIS 70 Ca 0.04 -3.01 0.04 0.00 -0.26 0.00 0.00 57.72 54.53 3gm6 n HIS 70 Cb 0.28 -0.31 0.19 0.00 1.12 0.00 0.00 29.99 31.27 3gm6 n HIS 70 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3gm6 h THR 71 N 2.71 0.91 -0.49 1.59 2.02 -1.69 -2.34 112.91 115.62 3gm6 h THR 71 Ca 0.03 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 3gm6 h THR 71 Cb 1.07 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3gm6 h THR 71 CO 0.60 0.16 0.18 0.00 0.37 0.00 0.00 175.52 176.82 3gm6 h ALA 72 N 1.48 0.64 -0.55 6.16 0.00 -1.93 0.44 119.26 125.51 3gm6 h ALA 72 Ca 0.43 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 3gm6 h ALA 72 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3gm6 h ALA 72 CO -0.26 0.27 -0.07 1.96 0.00 0.00 0.00 179.25 181.15 3gm6 h GLN 73 N 0.65 1.01 0.16 0.00 7.50 -1.84 -2.15 115.11 120.45 3gm6 h GLN 73 Ca 0.16 -0.35 -0.01 0.00 0.50 0.00 0.00 58.65 58.95 3gm6 h GLN 73 Cb 0.23 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.68 3gm6 h GLN 73 CO -0.01 1.03 -0.08 0.35 -1.50 0.00 0.00 178.83 178.62 3gm6 h PHE 74 N 0.91 -0.20 -0.84 2.96 3.57 -1.09 -2.13 116.94 120.12 3gm6 h PHE 74 Ca 0.15 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3gm6 h PHE 74 Cb 0.62 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 3gm6 h PHE 74 CO 0.04 -0.00 0.43 -0.91 -2.23 0.00 0.00 178.31 175.64 3gm6 h ASN 75 N -0.36 1.07 -0.46 0.41 2.35 -0.90 -1.42 115.58 116.27 3gm6 h ASN 75 Ca -0.02 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.53 3gm6 h ASN 75 Cb 0.29 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3gm6 h ASN 75 CO 0.04 0.89 -0.01 0.77 -1.65 0.00 0.00 177.43 177.47 3gm6 h SER 76 N 1.18 0.85 -0.25 5.81 4.64 -1.40 -2.71 113.55 121.67 3gm6 h SER 76 Ca 0.29 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3gm6 h SER 76 Cb 0.08 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 3gm6 h SER 76 CO -0.04 0.92 0.15 0.15 -0.87 0.00 0.00 176.83 177.14 3gm6 h PHE 77 N 0.82 0.32 0.00 4.77 3.57 -0.82 -3.20 116.94 122.40 3gm6 h PHE 77 Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3gm6 h PHE 77 Cb 0.50 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.13 3gm6 h PHE 77 CO 0.03 0.23 0.00 1.55 -2.23 0.00 0.00 178.31 177.89 3gm6 n VAL 78 N -4.89 0.62 -1.63 1.41 3.14 -0.59 -4.61 118.33 111.78 3gm6 n VAL 78 Ca -0.02 -0.20 -0.46 0.00 -2.96 0.00 0.00 64.34 60.69 3gm6 n VAL 78 Cb 0.04 -0.67 -0.03 0.00 -1.06 0.00 0.00 33.84 32.12 3gm6 n VAL 78 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3gm6 n GLU 79 N -2.25 1.64 -3.56 1.45 2.13 -1.04 -4.66 120.64 114.34 3gm6 n GLU 79 Ca 0.05 0.58 -0.36 0.00 0.66 0.00 0.00 57.16 58.09 3gm6 n GLU 79 Cb 0.40 -2.14 -0.08 0.00 0.27 0.00 0.00 31.44 29.89 3gm6 n GLU 79 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3gm6 s VAL 80 N -0.29 5.32 -0.70 6.31 1.01 -1.26 -4.87 120.40 125.92 3gm6 s VAL 80 Ca 0.68 0.45 -0.22 0.00 0.00 0.00 0.00 61.98 62.89 3gm6 s VAL 80 Cb -0.73 -3.60 0.08 0.00 0.00 0.00 0.00 36.38 32.13 3gm6 s VAL 80 CO 0.53 0.37 0.99 -0.60 0.00 0.00 0.00 175.10 176.39 3gm6 s ARG 81 N 0.70 3.18 0.55 2.72 3.52 -1.26 -4.90 118.95 123.46 3gm6 s ARG 81 Ca 0.14 -0.95 0.33 0.00 -0.13 0.00 0.00 55.73 55.12 3gm6 s ARG 81 Cb -0.13 -4.33 1.55 0.00 -1.56 0.00 0.00 34.95 30.48 3gm6 s ARG 81 CO 0.04 -1.82 2.07 0.45 -0.81 0.00 0.00 175.30 175.22 3gm6 h HIS 82 N 9.49 0.00 0.00 5.12 3.86 -2.03 -2.05 115.15 129.54 3gm6 h HIS 82 Ca -0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 3gm6 h HIS 82 Cb 1.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.53 3gm6 h HIS 82 CO 1.00 0.06 0.00 0.39 0.86 0.00 0.00 177.93 180.24 3gm6 n GLU 83 N -3.27 0.16 -2.66 2.45 4.71 -1.26 -4.36 120.64 116.41 3gm6 n GLU 83 Ca -0.01 0.33 -0.42 0.00 -0.01 0.00 0.00 57.16 57.05 3gm6 n GLU 83 Cb 0.26 -1.77 -0.03 0.00 -1.01 0.00 0.00 31.44 28.89 3gm6 n GLU 83 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 3gm6 s SER 84 N -3.97 6.31 0.24 1.62 0.01 -0.77 -4.97 113.70 112.16 3gm6 s SER 84 Ca 0.06 -1.01 -0.31 0.00 1.31 0.00 0.00 55.95 56.00 3gm6 s SER 84 Cb 0.10 -2.52 -0.12 0.00 0.21 0.00 0.00 66.02 63.70 3gm6 s SER 84 CO 0.41 -1.59 1.67 1.41 0.41 0.00 0.00 173.24 175.55 3gm6 n HIS 85 N 8.60 2.75 -3.33 2.43 -0.00 -1.26 -4.83 115.22 119.58 3gm6 n HIS 85 Ca 0.12 0.14 -0.31 0.00 -0.00 0.00 0.00 57.72 57.66 3gm6 n HIS 85 Cb 0.49 -2.64 -0.05 0.00 -0.00 0.00 0.00 29.99 27.79 3gm6 n HIS 85 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3gm6 s PRO 86 N 0.53 3.79 -1.54 -0.41 0.04 -1.26 -4.43 135.00 131.71 3gm6 s PRO 86 Ca 0.71 0.29 -0.14 0.00 0.04 0.00 0.00 61.00 61.90 3gm6 s PRO 86 Cb -0.51 -2.60 0.10 0.00 0.04 0.00 0.00 34.50 31.52 3gm6 s PRO 86 CO 0.39 0.25 0.84 -2.13 0.04 0.00 0.00 177.00 176.40 3gm6 n ARG 87 N -0.39 -4.55 -3.33 4.56 3.00 -1.26 -4.94 116.66 109.75 3gm6 n ARG 87 Ca 0.01 0.53 -0.42 0.00 -0.00 0.00 0.00 57.85 57.96 3gm6 n ARG 87 Cb 0.53 -5.35 -0.09 0.00 0.00 0.00 0.00 32.46 27.55 3gm6 n ARG 87 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3gm6 s LEU 88 N -7.13 4.71 0.08 6.15 0.20 -1.26 -4.97 118.68 116.45 3gm6 s LEU 88 Ca 0.64 -0.51 -0.31 0.00 0.69 0.00 0.00 54.13 54.64 3gm6 s LEU 88 Cb -0.33 -2.40 -0.07 0.00 -0.43 0.00 0.00 46.19 42.96 3gm6 s LEU 88 CO 0.78 -0.52 1.39 -0.70 -0.29 0.00 0.00 176.35 177.01 3gm6 s GLU 89 N 2.14 4.32 0.36 1.98 2.56 -1.26 -0.77 118.70 128.03 3gm6 s GLU 89 Ca 0.13 2.03 0.15 0.00 0.00 0.00 0.00 54.97 57.28 3gm6 s GLU 89 Cb -0.17 -3.35 0.70 0.00 2.00 0.00 0.00 34.13 33.31 3gm6 s GLU 89 CO 0.13 -0.47 1.77 0.87 -0.56 0.00 0.00 175.26 177.01 3gm6 h LYS 90 N 7.11 0.00 -2.04 4.30 1.57 -1.10 -3.31 116.57 123.10 3gm6 h LYS 90 Ca -0.41 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.26 3gm6 h LYS 90 Cb 1.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 3gm6 h LYS 90 CO 0.87 0.40 -0.21 0.00 -0.57 0.00 0.00 179.45 179.94 3gm6 n ALA 91 N -2.39 5.24 -2.40 3.86 0.00 -1.26 -1.86 120.51 121.70 3gm6 n ALA 91 Ca -0.01 -1.09 -0.14 0.00 0.00 0.00 0.00 53.44 52.19 3gm6 n ALA 91 Cb 0.47 -1.86 -0.11 0.00 0.00 0.00 0.00 19.45 17.95 3gm6 n ALA 91 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gm6 s THR 92 N 0.77 1.01 0.57 0.00 -4.23 -1.25 -4.88 115.64 107.63 3gm6 s THR 92 Ca 0.40 -1.77 0.25 0.00 -1.18 0.00 0.00 61.69 59.40 3gm6 s THR 92 Cb 0.19 -1.51 0.34 0.00 1.34 0.00 0.00 72.50 72.85 3gm6 s THR 92 CO 0.00 -0.62 2.17 -0.65 -0.54 0.00 0.00 174.62 174.98 3gm6 h PRO 93 N 3.33 0.00 -0.05 3.99 0.11 -1.88 -2.30 132.00 135.20 3gm6 h PRO 93 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3gm6 h PRO 93 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gm6 h PRO 93 CO 0.56 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.60 3gm6 n THR 94 N -4.07 0.03 -1.81 -1.15 -2.24 -1.26 -4.83 114.28 98.95 3gm6 n THR 94 Ca -0.01 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3gm6 n THR 94 Cb 0.19 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 3gm6 n THR 94 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3gm6 n SER 95 N 0.99 0.28 0.10 3.42 2.88 -0.86 -5.06 113.62 115.37 3gm6 n SER 95 Ca 0.16 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.66 3gm6 n SER 95 Cb 0.52 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.04 3gm6 n SER 95 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3gm6 h ARG 96 N 0.00 0.02 -2.19 -1.46 2.47 -1.79 -3.41 114.38 108.02 3gm6 h ARG 96 Ca 0.00 -0.02 -0.54 0.00 -1.26 0.00 0.00 59.98 58.16 3gm6 h ARG 96 Cb 0.00 0.01 -0.35 0.00 -1.65 0.00 0.00 29.97 27.97 3gm6 h ARG 96 CO 0.00 0.78 -0.92 0.45 0.56 0.00 0.00 179.97 180.84 3gm6 s SER 97 N -6.81 1.05 0.47 7.04 0.15 -0.78 -4.92 113.70 109.91 3gm6 s SER 97 Ca -0.01 -2.90 0.19 0.00 0.70 0.00 0.00 55.95 53.94 3gm6 s SER 97 Cb 0.12 -0.14 1.19 0.00 -1.71 0.00 0.00 66.02 65.48 3gm6 s SER 97 CO 0.79 -0.16 1.96 -0.65 1.20 0.00 0.00 173.24 176.39 3gm6 h PRO 98 N 5.56 0.23 -0.58 5.44 0.11 -1.75 -1.82 132.00 139.19 3gm6 h PRO 98 Ca 0.24 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 66.16 3gm6 h PRO 98 Cb 0.94 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 31.89 3gm6 h PRO 98 CO 0.33 0.15 0.17 -1.33 -0.21 0.00 0.00 178.00 177.11 3gm6 n MET 99 N -4.44 3.14 -0.31 1.05 2.81 -1.26 -4.62 117.12 113.49 3gm6 n MET 99 Ca 0.11 -3.06 -0.00 0.00 -1.81 0.00 0.00 57.70 52.95 3gm6 n MET 99 Cb 0.53 -2.06 0.13 0.00 -0.71 0.00 0.00 33.22 31.10 3gm6 n MET 99 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 3gm6 h PHE 100 N 2.09 1.02 -0.53 2.03 3.57 -1.67 -2.64 116.94 120.82 3gm6 h PHE 100 Ca 0.22 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.77 3gm6 h PHE 100 Cb 2.05 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 40.42 3gm6 h PHE 100 CO 1.09 0.55 0.31 -0.44 -2.23 0.00 0.00 178.31 177.59 3gm6 h ASP 101 N 1.03 0.51 -0.44 0.41 3.32 -1.85 0.66 116.42 120.05 3gm6 h ASP 101 Ca 0.36 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 3gm6 h ASP 101 Cb 0.09 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3gm6 h ASP 101 CO -0.14 0.36 0.12 0.50 -1.72 0.00 0.00 179.24 178.35 3gm6 h LYS 102 N 0.62 0.71 -0.03 3.56 3.64 -1.90 -2.43 116.57 120.73 3gm6 h LYS 102 Ca 0.22 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 3gm6 h LYS 102 Cb 0.03 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3gm6 h LYS 102 CO -0.10 0.70 -0.69 -0.07 -2.27 0.00 0.00 179.45 177.02 3gm6 h LEU 103 N 0.58 0.21 -1.88 5.20 4.07 -1.11 -3.26 115.31 119.12 3gm6 h LEU 103 Ca 0.14 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3gm6 h LEU 103 Cb 0.31 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.99 3gm6 h LEU 103 CO -0.00 0.83 -0.01 0.00 -1.08 0.00 0.00 178.44 178.19 3gm6 n ILE 104 N -3.79 0.00 -1.65 1.22 0.13 0.19 -4.99 119.36 110.48 3gm6 n ILE 104 Ca -0.02 -0.49 -0.53 0.00 -1.10 0.00 0.00 62.75 60.61 3gm6 n ILE 104 Cb 0.68 1.46 -0.06 0.00 -0.84 0.00 0.00 39.64 40.88 3gm6 n ILE 104 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3gm6 n ALA 105 N 1.29 -0.32 0.00 1.51 0.00 -0.92 -0.98 120.51 121.09 3gm6 n ALA 105 Ca 0.14 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3gm6 n ALA 105 Cb 0.59 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3gm6 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gm6 n GLY 106 N 3.33 1.78 3.80 0.00 0.00 -1.26 -1.01 105.19 111.83 3gm6 n GLY 106 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 3gm6 n GLY 106 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gm6 s HIS 107 N -2.28 3.20 0.59 1.61 5.04 -0.16 -4.81 115.29 118.48 3gm6 s HIS 107 Ca 0.00 0.04 0.29 0.00 -1.54 0.00 0.00 55.06 53.84 3gm6 s HIS 107 Cb 0.00 -1.57 1.71 0.00 0.04 0.00 0.00 32.58 32.75 3gm6 s HIS 107 CO 0.00 0.52 2.16 0.78 -2.34 0.00 0.00 174.74 175.86 3gm6 h GLY 108 N 2.79 0.00 2.00 1.59 0.00 -1.97 -2.48 103.07 105.01 3gm6 h GLY 108 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 3gm6 h GLY 108 CO 0.65 0.00 -0.02 0.74 0.00 0.00 0.00 176.54 177.91 3gm6 h PHE 109 N 0.00 0.00 -0.26 5.60 -1.00 -1.90 -1.82 116.94 117.55 3gm6 h PHE 109 Ca 0.05 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.91 3gm6 h PHE 109 Cb 0.29 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 3gm6 h PHE 109 CO 0.00 0.02 0.23 0.00 -1.61 0.00 0.00 178.31 176.95 3gm6 h ALA 110 N 1.98 2.04 -0.03 2.45 0.00 -1.72 -2.70 119.26 121.27 3gm6 h ALA 110 Ca -0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3gm6 h ALA 110 Cb 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gm6 h ALA 110 CO 0.00 -0.37 -0.83 0.74 0.00 0.00 0.00 179.25 178.79 3gm6 h PHE 111 N 0.00 0.51 -1.29 0.00 0.04 -1.56 -3.47 116.94 111.17 3gm6 h PHE 111 Ca 0.12 -0.25 0.14 0.00 2.80 0.00 0.00 57.97 60.78 3gm6 h PHE 111 Cb 0.59 -0.07 -0.30 0.00 2.20 0.00 0.00 35.95 38.37 3gm6 h PHE 111 CO 0.00 1.04 0.68 -2.00 -0.60 0.00 0.00 178.31 177.43 3gm6 s GLU 112 N -3.41 0.24 -0.32 1.51 2.12 -1.02 -4.76 118.70 113.06 3gm6 s GLU 112 Ca -0.05 0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.59 3gm6 s GLU 112 Cb 0.10 0.11 0.15 0.00 0.26 0.00 0.00 34.13 34.74 3gm6 s GLU 112 CO 0.85 -0.03 0.35 -1.58 -0.54 0.00 0.00 175.26 174.30 3gm6 s HIS 113 N 0.29 -0.53 0.48 5.30 2.46 -1.25 -4.61 115.29 117.43 3gm6 s HIS 113 Ca 0.03 -0.28 -0.04 0.00 0.47 0.00 0.00 55.06 55.24 3gm6 s HIS 113 Cb -0.05 -0.38 -0.02 0.00 -0.13 0.00 0.00 32.58 32.00 3gm6 s HIS 113 CO -0.12 -0.95 0.76 0.00 -2.47 0.00 0.00 174.74 171.95 3gm6 s ALA 114 N 2.09 3.48 0.71 1.58 0.00 -1.26 -0.48 121.76 127.87 3gm6 s ALA 114 Ca 0.12 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.25 3gm6 s ALA 114 Cb -0.14 -2.46 0.03 0.00 0.00 0.00 0.00 23.12 20.55 3gm6 s ALA 114 CO -0.23 -0.40 1.14 -1.21 0.00 0.00 0.00 175.76 175.07 3gm6 s GLU 115 N -4.70 2.43 0.66 0.00 2.02 0.05 -4.82 118.70 114.34 3gm6 s GLU 115 Ca 0.48 1.51 -0.16 0.00 0.02 0.00 0.00 54.97 56.82 3gm6 s GLU 115 Cb -0.10 -1.89 -0.00 0.00 0.10 0.00 0.00 34.13 32.23 3gm6 s GLU 115 CO 0.43 -1.56 1.13 -1.25 0.02 0.00 0.00 175.26 174.03 3gm6 s PRO 116 N -4.12 2.74 0.00 0.39 0.04 -1.26 -4.70 135.00 128.10 3gm6 s PRO 116 Ca 0.69 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3gm6 s PRO 116 Cb -0.23 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.37 3gm6 s PRO 116 CO 0.45 -1.31 0.00 2.89 0.04 0.00 0.00 177.00 179.07 3gm6 n ARG 117 N -2.34 0.98 -1.70 4.56 1.85 -1.26 -4.78 116.66 113.97 3gm6 n ARG 117 Ca 0.11 -0.03 -0.37 0.00 -1.00 0.00 0.00 57.85 56.56 3gm6 n ARG 117 Cb 0.52 0.02 0.06 0.00 -1.05 0.00 0.00 32.46 32.00 3gm6 n ARG 117 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3gm6 n SER 118 N -2.02 1.73 0.02 2.89 7.64 -1.26 -4.88 113.62 117.75 3gm6 n SER 118 Ca -0.00 0.83 0.13 0.00 1.01 0.00 0.00 58.87 60.84 3gm6 n SER 118 Cb 0.01 -1.51 0.58 0.00 -1.01 0.00 0.00 64.21 62.28 3gm6 n SER 118 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3gm6 h HIS 119 N 0.56 0.21 -0.86 1.43 3.86 -1.88 -2.17 115.15 116.31 3gm6 h HIS 119 Ca -0.50 0.01 0.21 0.00 -1.16 0.00 0.00 60.37 58.92 3gm6 h HIS 119 Cb 1.35 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 29.69 3gm6 h HIS 119 CO 0.40 0.11 0.59 0.00 0.86 0.00 0.00 177.93 179.88 3gm6 h ALA 120 N 1.78 2.39 -0.32 2.45 0.00 -1.88 -2.31 119.26 121.37 3gm6 h ALA 120 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gm6 h ALA 120 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3gm6 h ALA 120 CO -0.03 -0.65 0.00 1.19 0.00 0.00 0.00 179.25 179.75 3gm6 n PHE 121 N -4.44 0.42 -0.27 0.00 3.72 -0.81 -4.39 117.46 111.69 3gm6 n PHE 121 Ca 0.18 -0.21 -0.07 0.00 -0.05 0.00 0.00 57.45 57.30 3gm6 n PHE 121 Cb 0.75 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.34 3gm6 n PHE 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gm6 h MET 122 N 2.47 1.15 -0.05 -1.08 -0.00 -1.59 0.14 114.93 115.97 3gm6 h MET 122 Ca 0.00 -0.25 -0.05 0.00 -0.00 0.00 0.00 59.70 59.40 3gm6 h MET 122 Cb 0.55 -0.17 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 3gm6 h MET 122 CO 0.00 0.98 -0.18 1.25 -0.00 0.00 0.00 176.91 178.96 3gm6 h LEU 123 N 1.10 0.24 -0.81 -0.10 5.85 -1.82 -1.99 115.31 117.78 3gm6 h LEU 123 Ca 0.24 -0.64 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 3gm6 h LEU 123 Cb 0.30 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3gm6 h LEU 123 CO -0.01 0.83 0.38 -0.37 -0.34 0.00 0.00 178.44 178.93 3gm6 h VAL 124 N -0.34 1.25 -0.79 1.05 -1.51 -1.86 -2.04 116.25 112.01 3gm6 h VAL 124 Ca -0.01 -0.73 -0.05 0.00 -1.23 0.00 0.00 66.70 64.68 3gm6 h VAL 124 Cb 0.82 0.24 -0.04 0.00 -2.13 0.00 0.00 31.29 30.19 3gm6 h VAL 124 CO 0.04 0.31 0.31 0.44 -1.23 0.00 0.00 177.57 177.44 3gm6 h ASP 125 N 1.15 1.10 -0.70 4.19 3.32 -0.99 -1.04 116.42 123.45 3gm6 h ASP 125 Ca 0.28 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.22 3gm6 h ASP 125 Cb 0.14 -0.29 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 3gm6 h ASP 125 CO -0.03 0.97 0.39 -0.74 -1.72 0.00 0.00 179.24 178.11 3gm6 h HIS 126 N 1.16 0.71 -0.11 4.55 -0.00 -1.09 -1.98 115.15 118.40 3gm6 h HIS 126 Ca 0.26 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.52 3gm6 h HIS 126 Cb 0.22 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 3gm6 h HIS 126 CO 0.02 0.32 -0.55 0.74 -0.00 0.00 0.00 177.93 178.46 3gm6 h PHE 127 N 0.70 0.40 -0.00 5.26 0.04 -0.67 -3.34 116.94 119.33 3gm6 h PHE 127 Ca 0.32 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.95 3gm6 h PHE 127 Cb 0.23 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3gm6 h PHE 127 CO -0.08 0.80 -0.98 1.33 -0.60 0.00 0.00 178.31 178.77 3gm6 n VAL 128 N -3.92 0.00 -1.91 -0.55 0.24 -0.46 -4.47 118.33 107.26 3gm6 n VAL 128 Ca -0.02 -0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.87 3gm6 n VAL 128 Cb 0.59 0.98 -0.00 0.00 -1.47 0.00 0.00 33.84 33.94 3gm6 n VAL 128 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3gm6 s VAL 129 N -3.00 2.29 0.58 3.34 0.11 -0.76 -4.89 120.40 118.08 3gm6 s VAL 129 Ca 0.08 0.28 0.28 0.00 -2.93 0.00 0.00 61.98 59.69 3gm6 s VAL 129 Cb 0.16 -3.17 0.35 0.00 -1.53 0.00 0.00 36.38 32.19 3gm6 s VAL 129 CO 0.86 0.05 2.15 0.44 -3.33 0.00 0.00 175.10 175.28 3gm6 h ASP 130 N 2.80 0.00 0.46 3.54 3.32 -1.89 -2.62 116.42 122.03 3gm6 h ASP 130 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3gm6 h ASP 130 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3gm6 h ASP 130 CO 0.63 0.00 -0.05 -2.11 -1.72 0.00 0.00 179.24 175.99 3gm6 n ARG 131 N -3.89 0.55 -0.12 3.56 1.85 -1.26 -1.46 116.66 115.89 3gm6 n ARG 131 Ca 0.00 -0.09 -0.23 0.00 -1.00 0.00 0.00 57.85 56.52 3gm6 n ARG 131 Cb 0.24 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.08 3gm6 n ARG 131 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gm6 n ALA 132 N -1.14 1.09 -1.94 2.89 0.00 -0.99 -1.48 120.51 118.94 3gm6 n ALA 132 Ca 0.15 -1.01 0.05 0.00 0.00 0.00 0.00 53.44 52.63 3gm6 n ALA 132 Cb 0.25 0.10 0.14 0.00 0.00 0.00 0.00 19.45 19.93 3gm6 n ALA 132 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gm6 n TYR 133 N -4.32 0.03 -2.09 0.00 4.02 -1.19 -1.37 117.16 112.24 3gm6 n TYR 133 Ca -0.42 -1.14 -0.20 0.00 -0.01 0.00 0.00 57.90 56.14 3gm6 n TYR 133 Cb 0.77 -0.21 -0.04 0.00 -0.02 0.00 0.00 39.34 39.84 3gm6 n TYR 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gm6 n GLY 134 N -0.51 0.39 2.34 2.72 0.00 -0.07 -1.49 105.19 108.56 3gm6 n GLY 134 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 3gm6 n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gm6 n GLY 135 N -0.75 0.61 0.37 -0.02 0.00 -1.26 -0.04 105.19 104.09 3gm6 n GLY 135 Ca -0.22 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.54 3gm6 n GLY 135 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gm6 h ARG 136 N 0.35 1.16 -5.80 1.61 2.43 -1.56 -3.43 114.38 109.13 3gm6 h ARG 136 Ca -0.07 -0.07 -0.67 0.00 -0.81 0.00 0.00 59.98 58.36 3gm6 h ARG 136 Cb 0.47 -0.26 -0.15 0.00 -0.42 0.00 0.00 29.97 29.60 3gm6 h ARG 136 CO 0.11 0.77 -0.61 -0.06 -1.51 0.00 0.00 179.97 178.67 3gm6 s PHE 137 N -6.05 3.20 0.07 2.20 0.08 -1.26 -1.10 117.98 115.12 3gm6 s PHE 137 Ca -0.13 0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.10 3gm6 s PHE 137 Cb 0.20 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 3gm6 s PHE 137 CO 0.81 0.41 -0.05 -0.65 -0.10 0.00 0.00 175.22 175.64 3gm6 s GLN 138 N -0.65 0.68 0.71 0.44 -0.21 -0.91 -4.54 119.66 115.18 3gm6 s GLN 138 Ca 0.11 -1.15 -0.16 0.00 0.02 0.00 0.00 55.36 54.18 3gm6 s GLN 138 Cb -0.12 -0.07 0.03 0.00 1.00 0.00 0.00 33.01 33.85 3gm6 s GLN 138 CO 0.02 -0.04 1.21 -0.06 -2.12 0.00 0.00 175.29 174.31 3gm6 s PHE 139 N -3.16 2.11 0.37 0.91 0.08 -1.26 -0.99 117.98 116.03 3gm6 s PHE 139 Ca 0.05 1.58 0.11 0.00 0.12 0.00 0.00 56.93 58.78 3gm6 s PHE 139 Cb 0.02 -3.48 0.87 0.00 -0.57 0.00 0.00 43.02 39.87 3gm6 s PHE 139 CO -0.05 -2.56 1.88 0.87 -0.10 0.00 0.00 175.22 175.26 3gm6 h LYS 140 N -0.09 0.61 -3.21 0.44 1.57 -1.31 -3.43 116.57 111.15 3gm6 h LYS 140 Ca -0.48 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3gm6 h LYS 140 Cb 1.30 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 33.42 3gm6 h LYS 140 CO 0.51 0.40 0.14 0.54 -0.57 0.00 0.00 179.45 180.47 3gm6 s ASN 141 N -5.80 -0.08 0.14 0.86 2.20 -1.26 -5.00 114.94 106.00 3gm6 s ASN 141 Ca -0.09 -0.87 0.20 0.00 -0.94 0.00 0.00 52.86 51.16 3gm6 s ASN 141 Cb 0.22 0.73 0.83 0.00 -2.00 0.00 0.00 41.25 41.03 3gm6 s ASN 141 CO 0.78 -1.39 1.62 0.79 -2.94 0.00 0.00 177.10 175.97 3gm6 n TRP 142 N -0.47 0.44 0.12 1.54 7.02 -1.26 -2.64 117.44 122.20 3gm6 n TRP 142 Ca -0.04 0.17 -0.01 0.00 -1.02 0.00 0.00 57.50 56.59 3gm6 n TRP 142 Cb 0.60 -0.77 0.22 0.00 -2.42 0.00 0.00 31.31 28.93 3gm6 n TRP 142 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3gm6 h GLN 143 N 0.00 0.12 0.00 -0.99 4.20 -1.97 -3.29 115.11 113.17 3gm6 h GLN 143 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3gm6 h GLN 143 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3gm6 h GLN 143 CO 0.00 0.60 0.00 1.63 -0.67 0.00 0.00 178.83 180.39 3gm6 n LYS 144 N -3.95 0.01 0.32 1.46 4.76 -1.08 -2.88 118.16 116.80 3gm6 n LYS 144 Ca -0.02 0.23 0.20 0.00 -2.87 0.00 0.00 58.31 55.84 3gm6 n LYS 144 Cb 0.53 -1.52 1.09 0.00 -1.84 0.00 0.00 35.03 33.29 3gm6 n LYS 144 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 3gm6 h VAL 145 N 0.00 0.23 0.00 -0.18 -1.51 -1.77 -1.82 116.25 111.20 3gm6 h VAL 145 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3gm6 h VAL 145 Cb 0.29 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 3gm6 h VAL 145 CO 0.00 0.00 -0.03 0.35 -1.23 0.00 0.00 177.57 176.66 3gm6 n THR 146 N -3.41 0.41 -3.08 7.19 -2.24 -1.14 -4.79 114.28 107.22 3gm6 n THR 146 Ca -0.03 -0.20 -0.44 0.00 -2.27 0.00 0.00 64.05 61.11 3gm6 n THR 146 Cb 0.08 -0.53 -0.00 0.00 -2.10 0.00 0.00 70.33 67.78 3gm6 n THR 146 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gm6 s ASP 147 N -4.07 7.12 0.11 3.42 2.15 -0.69 -4.81 116.67 119.90 3gm6 s ASP 147 Ca 0.11 -3.13 -0.18 0.00 0.43 0.00 0.00 52.55 49.79 3gm6 s ASP 147 Cb 0.14 -2.34 -0.06 0.00 -0.30 0.00 0.00 42.92 40.37 3gm6 s ASP 147 CO 0.59 -0.61 1.62 1.23 -0.17 0.00 0.00 175.17 177.82 3gm6 h GLY 148 N 8.74 0.47 0.97 2.66 0.00 -1.87 -1.67 103.07 112.37 3gm6 h GLY 148 Ca 0.26 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.32 3gm6 h GLY 148 CO 1.15 0.26 0.43 1.98 0.00 0.00 0.00 176.54 180.36 3gm6 h MET 149 N 0.30 0.85 -0.39 4.80 1.85 -1.87 -1.19 114.93 119.28 3gm6 h MET 149 Ca 0.09 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.12 3gm6 h MET 149 Cb 0.24 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 3gm6 h MET 149 CO -0.00 0.56 0.22 0.78 -0.40 0.00 0.00 176.91 178.07 3gm6 h GLY 150 N 0.87 0.58 0.50 1.39 0.00 -1.93 -1.28 103.07 103.20 3gm6 h GLY 150 Ca 0.25 -0.26 0.09 0.00 0.00 0.00 0.00 47.33 47.41 3gm6 h GLY 150 CO -0.07 0.25 0.35 0.00 0.00 0.00 0.00 176.54 177.07 3gm6 h ALA 151 N 1.08 0.96 -0.59 3.60 0.00 -0.80 -1.48 119.26 122.03 3gm6 h ALA 151 Ca 0.14 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3gm6 h ALA 151 Cb 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3gm6 h ALA 151 CO -0.02 -0.04 0.09 0.28 0.00 0.00 0.00 179.25 179.56 3gm6 h VAL 152 N 0.61 1.25 -0.79 0.00 2.07 -0.73 -2.44 116.25 116.22 3gm6 h VAL 152 Ca 0.34 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 3gm6 h VAL 152 Cb 0.34 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3gm6 h VAL 152 CO -0.26 0.35 0.37 -0.09 0.02 0.00 0.00 177.57 177.96 3gm6 h ARG 153 N 0.89 1.15 0.00 1.57 2.43 -0.73 -3.43 114.38 116.27 3gm6 h ARG 153 Ca 0.18 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3gm6 h ARG 153 Cb 0.39 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3gm6 h ARG 153 CO 0.01 0.90 0.00 0.41 -1.51 0.00 0.00 179.97 179.78 3gm6 n GLY 154 N -0.96 2.13 0.27 2.80 0.00 -0.60 -4.88 105.19 103.94 3gm6 n GLY 154 Ca 0.07 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.28 3gm6 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gm6 h ALA 155 N 0.00 1.01 0.00 4.61 0.00 -1.08 -0.47 119.26 123.33 3gm6 h ALA 155 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gm6 h ALA 155 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gm6 h ALA 155 CO 0.00 -0.29 0.00 0.91 0.00 0.00 0.00 179.25 179.87 3gm6 n TRP 156 N -5.08 0.00 0.30 0.00 7.02 -1.26 -1.73 117.44 116.69 3gm6 n TRP 156 Ca 0.14 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.75 3gm6 n TRP 156 Cb 0.44 -0.14 0.32 0.00 -2.42 0.00 0.00 31.31 29.51 3gm6 n TRP 156 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3gm6 h THR 157 N 0.00 0.00 0.00 -0.99 1.35 -1.40 -3.37 112.91 108.50 3gm6 h THR 157 Ca 0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3gm6 h THR 157 Cb 0.11 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3gm6 h THR 157 CO 0.00 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.60 3gm6 n VAL 158 N -2.93 0.00 -4.40 6.82 0.24 -0.70 -5.02 118.33 112.34 3gm6 n VAL 158 Ca 0.04 -0.46 -0.24 0.00 -2.04 0.00 0.00 64.34 61.64 3gm6 n VAL 158 Cb 0.46 1.03 -0.09 0.00 -1.47 0.00 0.00 33.84 33.77 3gm6 n VAL 158 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gm6 s LEU 159 N -1.14 2.85 0.12 1.34 1.43 -0.86 -0.91 118.68 121.50 3gm6 s LEU 159 Ca 0.00 -0.88 0.07 0.00 -1.03 0.00 0.00 54.13 52.30 3gm6 s LEU 159 Cb 0.00 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 3gm6 s LEU 159 CO 0.00 0.01 -0.18 -0.89 0.23 0.00 0.00 176.35 175.52 3gm6 s THR 160 N -2.44 1.57 -0.21 5.49 2.01 -0.16 -4.72 115.64 117.18 3gm6 s THR 160 Ca 0.31 -1.63 -0.06 0.00 0.31 0.00 0.00 61.69 60.62 3gm6 s THR 160 Cb -0.05 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 3gm6 s THR 160 CO 0.17 -0.22 0.02 -0.62 -0.69 0.00 0.00 174.62 173.28 3gm6 s ASP 161 N -2.17 4.91 0.54 3.53 -1.08 -1.26 -2.14 116.67 119.00 3gm6 s ASP 161 Ca 0.08 -0.20 0.21 0.00 -0.52 0.00 0.00 52.55 52.12 3gm6 s ASP 161 Cb -0.08 -1.85 1.46 0.00 -1.46 0.00 0.00 42.92 40.99 3gm6 s ASP 161 CO 0.04 0.05 2.19 0.00 0.52 0.00 0.00 175.17 177.96 3gm6 h ALA 162 N 7.63 1.83 -1.97 3.66 0.00 -1.45 -3.36 119.26 125.59 3gm6 h ALA 162 Ca -0.37 -0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.09 3gm6 h ALA 162 Cb 1.18 -0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.65 3gm6 h ALA 162 CO 0.61 0.00 -0.81 0.34 0.00 0.00 0.00 179.25 179.39 3gm6 s ASP 163 N -6.75 0.73 0.55 0.00 2.15 -1.26 -4.99 116.67 107.09 3gm6 s ASP 163 Ca -0.05 -2.48 0.32 0.00 0.43 0.00 0.00 52.55 50.77 3gm6 s ASP 163 Cb 0.16 0.30 1.75 0.00 -0.30 0.00 0.00 42.92 44.83 3gm6 s ASP 163 CO 0.63 -0.16 1.97 -0.65 -0.17 0.00 0.00 175.17 176.79 3gm6 h PRO 164 N 5.75 0.00 -0.01 4.34 0.11 -2.00 -2.76 132.00 137.43 3gm6 h PRO 164 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3gm6 h PRO 164 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3gm6 h PRO 164 CO 0.25 0.00 -0.04 0.39 -0.21 0.00 0.00 178.00 178.39 3gm6 n GLU 165 N -2.73 1.22 -4.14 1.05 -0.58 -1.26 -4.87 120.64 109.33 3gm6 n GLU 165 Ca -0.02 -0.51 -0.15 0.00 -0.42 0.00 0.00 57.16 56.05 3gm6 n GLU 165 Cb 0.18 -1.49 -0.11 0.00 -0.57 0.00 0.00 31.44 29.44 3gm6 n GLU 165 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3gm6 s SER 166 N -2.14 1.35 0.00 1.62 1.04 -1.04 -5.06 113.70 109.47 3gm6 s SER 166 Ca 0.38 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.16 3gm6 s SER 166 Cb 0.21 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.33 3gm6 s SER 166 CO 0.39 -0.17 0.84 -1.54 0.98 0.00 0.00 173.24 173.73 3gm6 n SER 167 N 1.12 1.68 -4.83 7.02 3.41 -1.26 -4.93 113.62 115.82 3gm6 n SER 167 Ca -0.20 -1.66 -0.32 0.00 -0.26 0.00 0.00 58.87 56.42 3gm6 n SER 167 Cb 0.55 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 3gm6 n SER 167 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3gm6 s ASP 168 N -0.67 6.80 -0.24 4.04 -4.77 -1.26 -4.38 116.67 116.19 3gm6 s ASP 168 Ca 0.01 1.57 -0.29 0.00 -3.30 0.00 0.00 52.55 50.53 3gm6 s ASP 168 Cb 0.00 -2.50 0.01 0.00 -1.09 0.00 0.00 42.92 39.34 3gm6 s ASP 168 CO 0.00 -0.41 1.09 -1.10 0.70 0.00 0.00 175.17 175.45 3gm6 s GLN 169 N -3.47 4.20 0.21 2.11 -1.52 -1.26 -4.97 119.66 114.96 3gm6 s GLN 169 Ca 0.59 1.33 -0.13 0.00 -1.95 0.00 0.00 55.36 55.21 3gm6 s GLN 169 Cb -0.09 -3.69 0.00 0.00 -0.22 0.00 0.00 33.01 29.00 3gm6 s GLN 169 CO 0.20 -0.73 0.43 -0.98 -0.25 0.00 0.00 175.29 173.96 3gm6 s ARG 170 N 3.39 1.39 0.00 2.91 1.70 -1.26 -5.06 118.95 122.02 3gm6 s ARG 170 Ca 0.46 -1.14 -0.30 0.00 -0.47 0.00 0.00 55.73 54.28 3gm6 s ARG 170 Cb -0.15 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.64 3gm6 s ARG 170 CO 0.10 -0.56 1.02 1.03 -1.08 0.00 0.00 175.30 175.81 3gm6 s ARG 171 N -3.97 4.53 -0.02 3.89 0.52 -1.26 -4.18 118.95 118.45 3gm6 s ARG 171 Ca 0.18 1.48 0.18 0.00 -0.52 0.00 0.00 55.73 57.05 3gm6 s ARG 171 Cb 0.01 -3.45 -0.27 0.00 0.52 0.00 0.00 34.95 31.76 3gm6 s ARG 171 CO 0.04 -0.10 0.42 1.19 0.02 0.00 0.00 175.30 176.86 3gm6 n PHE 172 N 3.97 0.00 -4.23 -0.53 3.01 0.95 -4.97 117.46 115.66 3gm6 n PHE 172 Ca 0.07 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.36 3gm6 n PHE 172 Cb 0.50 -0.38 -0.11 0.00 -0.01 0.00 0.00 39.48 39.48 3gm6 n PHE 172 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3gm6 s LEU 173 N -4.15 2.43 0.14 4.37 1.02 -1.21 -5.04 118.68 116.24 3gm6 s LEU 173 Ca -0.06 -0.84 -0.17 0.00 0.02 0.00 0.00 54.13 53.08 3gm6 s LEU 173 Cb 0.12 -0.48 -0.01 0.00 0.02 0.00 0.00 46.19 45.84 3gm6 s LEU 173 CO 0.74 -0.19 1.77 0.77 0.02 0.00 0.00 176.35 179.46 3gm6 h SER 174 N 3.39 0.45 -2.44 2.29 4.64 -1.93 -3.27 113.55 116.67 3gm6 h SER 174 Ca -0.39 -0.06 -0.80 0.00 -0.47 0.00 0.00 61.79 60.07 3gm6 h SER 174 Cb 1.19 -0.11 -0.28 0.00 -0.31 0.00 0.00 62.40 62.90 3gm6 h SER 174 CO 0.53 0.38 0.93 0.00 -0.87 0.00 0.00 176.83 177.79 3gm6 n GLN 175 N -4.79 5.12 -4.36 4.77 1.13 -1.26 -4.90 117.38 113.09 3gm6 n GLN 175 Ca -0.00 -4.64 -0.18 0.00 -1.94 0.00 0.00 57.00 50.23 3gm6 n GLN 175 Cb 0.06 -2.48 -0.10 0.00 0.11 0.00 0.00 30.24 27.83 3gm6 n GLN 175 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3gm6 s THR 176 N -3.89 0.85 0.22 5.09 -4.23 -1.24 -4.93 115.64 107.51 3gm6 s THR 176 Ca 0.37 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 3gm6 s THR 176 Cb 0.15 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.31 3gm6 s THR 176 CO -0.06 -0.06 0.08 0.00 -0.54 0.00 0.00 174.62 174.04 3gm6 s ALA 177 N -3.55 1.43 -0.50 3.99 0.00 -0.53 -4.93 121.76 117.67 3gm6 s ALA 177 Ca 0.36 -1.74 0.04 0.00 0.00 0.00 0.00 51.96 50.62 3gm6 s ALA 177 Cb 0.08 1.03 0.40 0.00 0.00 0.00 0.00 23.12 24.63 3gm6 s ALA 177 CO 0.13 -0.47 1.16 0.25 0.00 0.00 0.00 175.76 176.83 3gm6 n THR 178 N -0.34 2.63 0.25 0.00 -2.24 -1.24 -0.89 114.28 112.45 3gm6 n THR 178 Ca -0.01 -5.01 0.13 0.00 -2.27 0.00 0.00 64.05 56.89 3gm6 n THR 178 Cb 0.65 -1.29 0.57 0.00 -2.10 0.00 0.00 70.33 68.16 3gm6 n THR 178 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gm6 h ALA 179 N 2.70 1.03 -2.95 6.98 0.00 -1.00 -3.46 119.26 122.56 3gm6 h ALA 179 Ca 0.30 -0.11 -0.54 0.00 0.00 0.00 0.00 54.91 54.56 3gm6 h ALA 179 Cb 0.78 -0.02 0.11 0.00 0.00 0.00 0.00 17.79 18.66 3gm6 h ALA 179 CO 0.89 0.16 0.67 0.00 0.00 0.00 0.00 179.25 180.97 3gm6 s ALA 180 N -3.70 3.23 0.20 0.00 0.00 -0.47 -5.01 121.76 116.01 3gm6 s ALA 180 Ca 0.01 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.24 3gm6 s ALA 180 Cb 0.10 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 3gm6 s ALA 180 CO 0.59 -1.08 0.37 0.54 0.00 0.00 0.00 175.76 176.18 3gm6 s ASN 181 N -0.60 -0.04 0.57 0.00 2.20 -1.26 -4.92 114.94 110.89 3gm6 s ASN 181 Ca 0.60 -0.88 0.26 0.00 -0.94 0.00 0.00 52.86 51.91 3gm6 s ASN 181 Cb -0.42 0.50 1.54 0.00 -2.00 0.00 0.00 41.25 40.88 3gm6 s ASN 181 CO 0.54 -1.00 2.08 -0.65 -2.94 0.00 0.00 177.10 175.13 3gm6 h PRO 182 N 2.40 0.00 -0.35 3.55 0.11 -1.86 -2.44 132.00 133.41 3gm6 h PRO 182 Ca -0.30 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.72 3gm6 h PRO 182 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3gm6 h PRO 182 CO 0.43 0.00 -0.17 0.28 -0.21 0.00 0.00 178.00 178.32 3gm6 h VAL 183 N 0.00 1.26 -0.91 3.15 2.07 -1.87 -2.92 116.25 117.02 3gm6 h VAL 183 Ca 0.12 -1.21 0.22 0.00 0.82 0.00 0.00 66.70 66.65 3gm6 h VAL 183 Cb 0.56 1.18 -0.12 0.00 -1.52 0.00 0.00 31.29 31.39 3gm6 h VAL 183 CO -0.00 0.40 0.42 0.00 0.02 0.00 0.00 177.57 178.41 3gm6 h LEU 185 N 0.42 0.00 -2.12 0.00 -0.00 -1.67 -2.41 115.31 109.53 3gm6 h LEU 185 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.45 3gm6 h LEU 185 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 3gm6 h LEU 185 CO -0.52 0.06 0.00 0.78 -0.00 0.00 0.00 178.44 178.76 3gm6 h ASN 186 N 0.00 0.00 -0.52 -0.43 2.35 -1.61 -0.31 115.58 115.06 3gm6 h ASN 186 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gm6 h ASN 186 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3gm6 h ASN 186 CO 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 3gm6 n LYS 188 N 0.72 3.07 -3.44 0.00 4.76 -0.22 -4.99 118.16 118.06 3gm6 n LYS 188 Ca 0.22 -0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.54 3gm6 n LYS 188 Cb 0.80 -1.00 -0.02 0.00 -1.84 0.00 0.00 35.03 32.96 3gm6 n LYS 188 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3gm6 s THR 189 N -2.00 0.00 -0.13 -0.18 -1.32 -0.65 -2.62 115.64 108.73 3gm6 s THR 189 Ca -0.00 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.65 3gm6 s THR 189 Cb 0.00 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.42 3gm6 s THR 189 CO 0.00 0.00 1.20 0.00 -2.21 0.00 0.00 174.62 173.61 3gm6 n GLN 190 N -0.25 1.00 0.18 7.08 1.13 -1.26 -4.34 117.38 120.92 3gm6 n GLN 190 Ca -0.16 -2.80 0.15 0.00 -1.94 0.00 0.00 57.00 52.25 3gm6 n GLN 190 Cb 0.64 -0.97 0.75 0.00 0.11 0.00 0.00 30.24 30.77 3gm6 n GLN 190 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3gm6 h ASP 191 N 1.07 0.00 -0.39 1.08 3.32 -1.93 -1.91 116.42 117.67 3gm6 h ASP 191 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3gm6 h ASP 191 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 3gm6 h ASP 191 CO 0.07 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.59 3gm6 n HIS 192 N -4.14 0.69 0.18 4.55 1.44 -1.26 -4.59 115.22 112.09 3gm6 n HIS 192 Ca 0.02 -0.30 0.15 0.00 -2.01 0.00 0.00 57.72 55.58 3gm6 n HIS 192 Cb 0.31 -0.08 0.75 0.00 0.12 0.00 0.00 29.99 31.09 3gm6 n HIS 192 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 3gm6 h ILE 193 N 2.33 0.71 -0.20 0.61 2.10 -1.71 0.83 117.51 122.18 3gm6 h ILE 193 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3gm6 h ILE 193 Cb 0.73 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 3gm6 h ILE 193 CO 0.07 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.32 3gm6 n LEU 194 N -4.18 2.87 -0.02 2.19 4.77 -1.26 -4.42 117.00 116.95 3gm6 n LEU 194 Ca 0.02 -1.12 0.01 0.00 -0.03 0.00 0.00 56.01 54.89 3gm6 n LEU 194 Cb 0.29 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3gm6 n LEU 194 CO 0.32 0.56 0.46 0.47 -1.33 0.00 0.00 177.39 177.86 3gm6 n ASP 195 N 1.16 1.63 -3.82 -1.43 8.00 0.25 -4.93 116.55 117.42 3gm6 n ASP 195 Ca 0.17 -1.93 -0.24 0.00 0.71 0.00 0.00 54.79 53.50 3gm6 n ASP 195 Cb 0.54 -0.05 -0.17 0.00 -0.02 0.00 0.00 41.12 41.42 3gm6 n ASP 195 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3gm6 s TRP 196 N -0.99 0.91 0.59 1.24 -0.11 -1.01 -1.79 118.94 117.77 3gm6 s TRP 196 Ca 0.03 -0.33 -0.17 0.00 1.22 0.00 0.00 56.10 56.85 3gm6 s TRP 196 Cb 0.03 -0.91 -0.04 0.00 -1.50 0.00 0.00 33.47 31.05 3gm6 s TRP 196 CO 0.00 -0.37 1.08 0.00 -4.62 0.00 0.00 176.95 173.05 3gm6 s ALA 197 N 1.79 2.67 -0.04 5.86 0.00 -1.26 -4.79 121.76 125.98 3gm6 s ALA 197 Ca 0.03 0.56 -0.39 0.00 0.00 0.00 0.00 51.96 52.16 3gm6 s ALA 197 Cb -0.13 -3.29 -0.17 0.00 0.00 0.00 0.00 23.12 19.54 3gm6 s ALA 197 CO -0.05 -0.86 1.40 0.98 0.00 0.00 0.00 175.76 177.22 3gm6 n TYR 198 N -1.83 1.49 -0.45 0.00 9.36 0.12 -0.13 117.16 125.73 3gm6 n TYR 198 Ca 0.10 0.72 0.00 0.00 3.32 0.00 0.00 57.90 62.04 3gm6 n TYR 198 Cb 0.52 -2.31 0.00 0.00 -0.63 0.00 0.00 39.34 36.92 3gm6 n TYR 198 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3gm6 n MET 199 N 3.05 0.00 -1.04 2.98 2.81 -1.26 -3.13 117.12 120.53 3gm6 n MET 199 Ca 0.21 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 56.09 3gm6 n MET 199 Cb 0.14 -3.22 -0.01 0.00 -0.71 0.00 0.00 33.22 29.42 3gm6 n MET 199 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gm6 n GLY 200 N -2.00 0.50 3.61 3.03 0.00 0.82 -4.82 105.19 106.33 3gm6 n GLY 200 Ca 0.00 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 3gm6 n GLY 200 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gm6 n ASP 201 N 1.37 0.15 -4.76 1.61 9.92 -1.18 -1.57 116.55 122.09 3gm6 n ASP 201 Ca -0.01 0.54 -0.39 0.00 -0.53 0.00 0.00 54.79 54.40 3gm6 n ASP 201 Cb 0.05 -1.41 0.02 0.00 -0.64 0.00 0.00 41.12 39.14 3gm6 n ASP 201 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3gm6 s GLU 202 N -3.81 3.52 -0.28 -1.24 0.41 -1.26 -4.62 118.70 111.42 3gm6 s GLU 202 Ca 0.69 2.26 -0.23 0.00 -0.41 0.00 0.00 54.97 57.28 3gm6 s GLU 202 Cb -0.29 -2.49 0.09 0.00 -1.78 0.00 0.00 34.13 29.66 3gm6 s GLU 202 CO 0.55 -0.90 0.83 -1.58 -0.49 0.00 0.00 175.26 173.67 3gm6 s HIS 203 N -1.28 -0.71 0.52 1.61 2.46 -1.26 -5.05 115.29 111.59 3gm6 s HIS 203 Ca 0.65 1.66 0.19 0.00 0.47 0.00 0.00 55.06 58.03 3gm6 s HIS 203 Cb -0.40 0.35 1.36 0.00 -0.13 0.00 0.00 32.58 33.75 3gm6 s HIS 203 CO 0.50 -0.34 2.15 1.05 -2.47 0.00 0.00 174.74 175.63 3gm6 h GLU 204 N 5.04 0.00 -0.02 2.88 9.09 -2.00 -1.89 114.58 127.69 3gm6 h GLU 204 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.12 3gm6 h GLU 204 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 3gm6 h GLU 204 CO 0.09 0.03 -0.07 0.00 0.05 0.00 0.00 179.01 179.11 3gm6 n ALA 205 N -2.48 2.68 -2.69 1.06 0.00 -1.26 -4.90 120.51 112.93 3gm6 n ALA 205 Ca -0.03 -0.51 -0.38 0.00 0.00 0.00 0.00 53.44 52.53 3gm6 n ALA 205 Cb 0.12 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 3gm6 n ALA 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gm6 s ALA 206 N -2.10 3.55 0.20 0.00 0.00 -0.71 -4.87 121.76 117.82 3gm6 s ALA 206 Ca 0.33 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.82 3gm6 s ALA 206 Cb 0.20 -2.60 0.12 0.00 0.00 0.00 0.00 23.12 20.85 3gm6 s ALA 206 CO 0.37 -0.20 1.47 -0.22 0.00 0.00 0.00 175.76 177.18 3gm6 h LYS 207 N 7.19 0.31 -5.87 0.00 3.64 -1.74 -3.46 116.57 116.65 3gm6 h LYS 207 Ca -0.37 -0.25 -0.51 0.00 -1.27 0.00 0.00 60.65 58.24 3gm6 h LYS 207 Cb 1.16 0.05 -0.23 0.00 -0.41 0.00 0.00 32.23 32.81 3gm6 h LYS 207 CO 0.73 0.89 -0.81 -1.58 -2.27 0.00 0.00 179.45 176.41 3gm6 s TRP 208 N -3.61 1.60 0.36 1.91 0.52 -0.74 -5.05 118.94 113.92 3gm6 s TRP 208 Ca -0.05 -0.41 -0.07 0.00 0.02 0.00 0.00 56.10 55.59 3gm6 s TRP 208 Cb 0.11 -0.90 0.03 0.00 -1.15 0.00 0.00 33.47 31.56 3gm6 s TRP 208 CO 0.82 0.13 0.61 -1.13 0.02 0.00 0.00 176.95 177.40 3gm6 n SER 209 N 1.34 -1.73 -0.12 2.95 3.41 -1.26 -4.31 113.62 113.89 3gm6 n SER 209 Ca -0.19 -2.71 0.19 0.00 -0.26 0.00 0.00 58.87 55.89 3gm6 n SER 209 Cb 0.54 3.03 0.59 0.00 -0.26 0.00 0.00 64.21 68.11 3gm6 n SER 209 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gm6 h ARG 210 N 0.00 0.23 -0.40 4.33 3.08 -1.60 -2.40 114.38 117.61 3gm6 h ARG 210 Ca -0.29 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3gm6 h ARG 210 Cb 1.18 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3gm6 h ARG 210 CO 0.38 0.15 0.00 0.25 -1.07 0.00 0.00 179.97 179.68 3gm6 n THR 211 N -4.43 0.53 -1.01 2.04 -2.24 -1.26 -4.52 114.28 103.38 3gm6 n THR 211 Ca 0.14 -0.64 -0.30 0.00 -2.27 0.00 0.00 64.05 60.97 3gm6 n THR 211 Cb 0.62 0.57 0.14 0.00 -2.10 0.00 0.00 70.33 69.56 3gm6 n THR 211 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gm6 s SER 212 N -1.30 3.36 -0.37 3.42 0.01 -0.91 -4.96 113.70 112.95 3gm6 s SER 212 Ca 0.36 1.78 -0.29 0.00 1.31 0.00 0.00 55.95 59.12 3gm6 s SER 212 Cb 0.20 -2.40 0.01 0.00 0.21 0.00 0.00 66.02 64.04 3gm6 s SER 212 CO 0.27 -2.76 1.35 -1.61 0.41 0.00 0.00 173.24 170.90 3gm6 s GLU 213 N -4.80 3.72 0.42 12.44 2.02 -1.26 -4.76 118.70 126.49 3gm6 s GLU 213 Ca 0.64 1.03 0.12 0.00 0.02 0.00 0.00 54.97 56.78 3gm6 s GLU 213 Cb -0.20 -3.96 0.90 0.00 0.10 0.00 0.00 34.13 30.97 3gm6 s GLU 213 CO 0.58 -1.38 1.97 -0.24 0.02 0.00 0.00 175.26 176.21 3gm6 h VAL 214 N 6.25 1.14 -0.65 2.63 3.04 -1.91 -1.95 116.25 124.80 3gm6 h VAL 214 Ca -0.27 -0.64 -0.02 0.00 -1.01 0.00 0.00 66.70 64.76 3gm6 h VAL 214 Cb 1.10 1.20 -0.03 0.00 -2.01 0.00 0.00 31.29 31.55 3gm6 h VAL 214 CO 1.07 0.20 0.31 0.58 -1.01 0.00 0.00 177.57 178.72 3gm6 h VAL 215 N 0.15 1.22 -0.45 1.51 2.07 -1.91 0.19 116.25 119.03 3gm6 h VAL 215 Ca 0.03 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 3gm6 h VAL 215 Cb 0.30 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3gm6 h VAL 215 CO 0.02 0.25 0.17 -0.33 0.02 0.00 0.00 177.57 177.71 3gm6 h GLU 216 N 0.89 0.67 -0.15 1.57 5.08 -1.60 -2.83 114.58 118.21 3gm6 h GLU 216 Ca 0.22 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3gm6 h GLU 216 Cb 0.11 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3gm6 h GLU 216 CO -0.03 0.62 0.06 0.35 -1.00 0.00 0.00 179.01 179.01 3gm6 h PHE 217 N 0.58 0.11 -0.72 4.33 3.57 -1.27 -2.91 116.94 120.63 3gm6 h PHE 217 Ca 0.15 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.78 3gm6 h PHE 217 Cb 0.20 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 38.82 3gm6 h PHE 217 CO 0.00 0.06 0.27 0.00 -2.23 0.00 0.00 178.31 176.42 3gm6 h ALA 218 N 1.09 0.98 0.00 2.41 0.00 -0.88 -0.77 119.26 122.09 3gm6 h ALA 218 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gm6 h ALA 218 Cb 0.03 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3gm6 h ALA 218 CO -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 178.98 3gm6 h ARG 219 N 0.43 0.00 -0.01 0.00 3.08 -1.29 -1.65 114.38 114.93 3gm6 h ARG 219 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 3gm6 h ARG 219 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3gm6 h ARG 219 CO -0.38 0.00 -0.26 -3.47 -1.07 0.00 0.00 179.97 174.79 3gm6 n ASP 220 N -2.68 1.00 -4.61 7.04 2.03 -0.30 -4.93 116.55 114.11 3gm6 n ASP 220 Ca -0.00 -0.87 -0.32 0.00 0.52 0.00 0.00 54.79 54.11 3gm6 n ASP 220 Cb 0.19 0.13 -0.10 0.00 -0.72 0.00 0.00 41.12 40.62 3gm6 n ASP 220 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3gm6 s LEU 221 N -2.51 3.23 0.00 -2.67 1.43 -0.62 -4.97 118.68 112.57 3gm6 s LEU 221 Ca 0.24 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 3gm6 s LEU 221 Cb 0.19 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.59 3gm6 s LEU 221 CO 0.52 0.30 0.00 0.59 0.23 0.00 0.00 176.35 177.99 3gm6 n ASN 222 N 1.64 0.41 -4.74 2.29 4.13 -1.26 -4.69 115.26 113.03 3gm6 n ASN 222 Ca -0.16 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.75 3gm6 n ASN 222 Cb 0.53 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.68 3gm6 n ASN 222 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3gm6 s HIS 223 N -1.84 3.30 0.39 3.10 3.76 -1.26 -1.00 115.29 121.74 3gm6 s HIS 223 Ca 0.00 0.30 -0.19 0.00 -0.15 0.00 0.00 55.06 55.02 3gm6 s HIS 223 Cb 0.00 -1.84 -0.10 0.00 1.11 0.00 0.00 32.58 31.74 3gm6 s HIS 223 CO 0.00 0.55 0.88 -1.25 -0.85 0.00 0.00 174.74 174.07 3gm6 s PRO 224 N -0.90 4.18 -1.06 8.40 0.04 -1.26 -4.47 135.00 139.93 3gm6 s PRO 224 Ca 0.14 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 61.87 3gm6 s PRO 224 Cb -0.12 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 32.16 3gm6 s PRO 224 CO 0.03 0.05 0.60 -0.11 0.04 0.00 0.00 177.00 177.61 3gm6 n LEU 225 N -0.47 -0.22 -4.59 -3.56 7.94 -1.08 -4.80 117.00 110.22 3gm6 n LEU 225 Ca 0.05 -1.15 -0.43 0.00 -1.11 0.00 0.00 56.01 53.38 3gm6 n LEU 225 Cb 0.53 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.07 3gm6 n LEU 225 CO 0.39 0.72 0.55 0.59 -1.11 0.00 0.00 177.39 178.52 3gm6 n ASN 226 N -1.85 1.15 0.10 1.96 4.13 -1.26 -4.84 115.26 114.66 3gm6 n ASN 226 Ca -0.12 1.08 0.06 0.00 1.68 0.00 0.00 54.58 57.28 3gm6 n ASN 226 Cb 0.51 -1.32 0.51 0.00 -1.54 0.00 0.00 39.78 37.95 3gm6 n ASN 226 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gm6 n PHE 228 N -4.50 0.00 0.24 0.00 1.16 -1.26 -3.49 117.46 109.61 3gm6 n PHE 228 Ca 0.01 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.68 3gm6 n PHE 228 Cb 0.08 0.00 0.61 0.00 -1.61 0.00 0.00 39.48 38.56 3gm6 n PHE 228 CO 0.00 0.00 0.00 0.52 -1.87 0.00 0.00 176.76 175.41 3gm6 h MET 229 N 0.00 0.00 -0.00 3.97 2.86 -1.53 -3.26 114.93 116.98 3gm6 h MET 229 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gm6 h MET 229 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3gm6 h MET 229 CO 0.00 0.18 -0.18 0.00 1.06 0.00 0.00 176.91 177.97 3gm6 s HIS 231 N -1.32 1.29 0.19 0.00 3.76 -1.23 -1.65 115.29 116.34 3gm6 s HIS 231 Ca 0.02 -0.65 -0.32 0.00 -0.15 0.00 0.00 55.06 53.96 3gm6 s HIS 231 Cb 0.03 -1.13 -0.11 0.00 1.11 0.00 0.00 32.58 32.48 3gm6 s HIS 231 CO 0.16 -0.49 1.65 0.34 -0.85 0.00 0.00 174.74 175.55 3gm6 s ASP 232 N 1.77 6.46 0.49 1.40 2.15 0.21 -4.38 116.67 124.78 3gm6 s ASP 232 Ca 0.04 2.77 0.28 0.00 0.43 0.00 0.00 52.55 56.07 3gm6 s ASP 232 Cb -0.13 -2.60 1.14 0.00 -0.30 0.00 0.00 42.92 41.03 3gm6 s ASP 232 CO -0.07 -0.91 1.91 1.55 -0.17 0.00 0.00 175.17 177.48 3gm6 h PRO 233 N 6.72 0.00 0.00 4.34 0.13 -1.90 -0.72 132.00 140.56 3gm6 h PRO 233 Ca -0.43 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.50 3gm6 h PRO 233 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 3gm6 h PRO 233 CO 0.93 0.13 -1.12 0.45 -0.23 0.00 0.00 178.00 178.16 3gm6 h HIS 234 N 0.00 0.00 0.00 1.56 3.86 -1.93 -3.39 115.15 115.24 3gm6 h HIS 234 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gm6 h HIS 234 Cb 0.62 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.09 3gm6 h HIS 234 CO 0.00 1.34 -0.60 0.66 0.86 0.00 0.00 177.93 180.19 3gm6 h SER 235 N -1.00 0.00 0.00 2.45 4.64 -1.69 -3.36 113.55 114.59 3gm6 h SER 235 Ca -0.30 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3gm6 h SER 235 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3gm6 h SER 235 CO -0.18 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 3gm6 n ALA 236 N -1.83 0.00 -2.04 5.18 0.00 -0.28 -2.96 120.51 118.57 3gm6 n ALA 236 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 3gm6 n ALA 236 Cb 0.44 -0.94 0.04 0.00 0.00 0.00 0.00 19.45 18.99 3gm6 n ALA 236 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gm6 s GLY 237 N -2.00 1.63 0.24 0.00 0.00 -1.26 -4.58 107.32 101.35 3gm6 s GLY 237 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 43.69 3gm6 s GLY 237 CO 0.00 -0.42 1.19 2.56 0.00 0.00 0.00 173.10 176.43 3gm6 s PRO 238 N -5.06 4.51 0.32 2.90 0.04 -1.26 -0.61 135.00 135.84 3gm6 s PRO 238 Ca 0.55 1.92 -0.14 0.00 0.04 0.00 0.00 61.00 63.37 3gm6 s PRO 238 Cb -0.11 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.26 3gm6 s PRO 238 CO 0.45 -0.02 0.65 -0.98 0.04 0.00 0.00 177.00 177.14 3gm6 s ARG 239 N -0.85 1.91 0.16 4.56 1.70 -0.66 -1.40 118.95 124.38 3gm6 s ARG 239 Ca 0.50 -1.34 0.09 0.00 -0.47 0.00 0.00 55.73 54.51 3gm6 s ARG 239 Cb -0.34 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 3gm6 s ARG 239 CO 0.41 -0.85 -0.20 0.14 -1.08 0.00 0.00 175.30 173.72 3gm6 s VAL 240 N -3.25 1.92 0.00 4.99 -7.23 -0.37 -4.12 120.40 112.35 3gm6 s VAL 240 Ca 0.19 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 3gm6 s VAL 240 Cb -0.04 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 35.03 3gm6 s VAL 240 CO 0.11 -0.24 0.00 1.33 -0.31 0.00 0.00 175.10 175.99 3gm6 n VAL 241 N 0.38 0.00 -2.17 1.32 0.24 -1.25 -0.78 118.33 116.08 3gm6 n VAL 241 Ca -0.14 -0.40 -0.43 0.00 -2.04 0.00 0.00 64.34 61.34 3gm6 n VAL 241 Cb 0.56 0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 33.85 3gm6 n VAL 241 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3gm6 s ARG 242 N -0.97 3.76 0.20 7.34 6.06 -1.26 -4.85 118.95 129.22 3gm6 s ARG 242 Ca 0.00 1.52 -0.14 0.00 -2.50 0.00 0.00 55.73 54.62 3gm6 s ARG 242 Cb 0.00 -4.02 0.21 0.00 0.06 0.00 0.00 34.95 31.19 3gm6 s ARG 242 CO 0.00 -1.34 1.66 0.38 -2.50 0.00 0.00 175.30 173.50 3gm6 h ASP 243 N 10.70 -0.37 -0.36 -2.12 3.04 -1.96 -2.22 116.42 123.13 3gm6 h ASP 243 Ca -0.32 0.15 0.03 0.00 -3.24 0.00 0.00 57.03 53.65 3gm6 h ASP 243 Cb 1.14 0.29 -0.02 0.00 -1.04 0.00 0.00 39.33 39.70 3gm6 h ASP 243 CO 1.01 -0.14 0.24 1.23 -2.04 0.00 0.00 179.24 179.55 3gm6 h GLY 244 N 0.05 0.40 0.85 7.15 0.00 -1.91 -0.52 103.07 109.10 3gm6 h GLY 244 Ca 0.27 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 3gm6 h GLY 244 CO -0.51 0.12 -0.51 -2.00 0.00 0.00 0.00 176.54 173.64 3gm6 h LEU 245 N 0.36 0.59 -0.90 3.11 5.85 -1.77 -2.51 115.31 120.04 3gm6 h LEU 245 Ca 0.15 -0.67 0.01 0.00 0.84 0.00 0.00 57.88 58.21 3gm6 h LEU 245 Cb 0.14 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3gm6 h LEU 245 CO -0.03 1.16 0.59 0.40 -0.34 0.00 0.00 178.44 180.22 3gm6 h ILE 246 N 0.06 1.23 -0.52 4.05 2.04 -1.12 -1.12 117.51 122.13 3gm6 h ILE 246 Ca -0.04 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.41 3gm6 h ILE 246 Cb 1.17 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3gm6 h ILE 246 CO 0.11 0.22 0.34 -1.13 0.00 0.00 0.00 178.15 177.69 3gm6 h ASN 247 N 1.21 0.59 -0.07 1.72 -0.73 -1.09 0.19 115.58 117.40 3gm6 h ASN 247 Ca 0.33 -0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.46 3gm6 h ASN 247 Cb -0.14 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 38.31 3gm6 h ASN 247 CO -0.07 0.43 -0.04 0.00 -0.37 0.00 0.00 177.43 177.37 3gm6 h ALA 248 N 1.20 0.10 -0.07 1.57 0.00 -1.10 -0.75 119.26 120.22 3gm6 h ALA 248 Ca 0.19 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3gm6 h ALA 248 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gm6 h ALA 248 CO -0.05 -0.13 -0.25 0.28 0.00 0.00 0.00 179.25 179.10 3gm6 h VAL 249 N -0.23 1.43 0.00 0.00 2.07 -1.16 -2.90 116.25 115.46 3gm6 h VAL 249 Ca 0.01 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.88 3gm6 h VAL 249 Cb 0.51 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 3gm6 h VAL 249 CO 0.01 0.47 -0.88 0.52 0.02 0.00 0.00 177.57 177.71 3gm6 n VAL 250 N -4.49 1.39 -0.12 2.57 0.31 0.05 -1.97 118.33 116.05 3gm6 n VAL 250 Ca -0.08 0.17 -0.06 0.00 -0.01 0.00 0.00 64.34 64.36 3gm6 n VAL 250 Cb 0.46 -2.30 0.02 0.00 -0.91 0.00 0.00 33.84 31.12 3gm6 n VAL 250 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3gm6 h ASP 251 N -0.93 0.23 -0.05 4.52 3.32 -1.38 -1.60 116.42 120.53 3gm6 h ASP 251 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3gm6 h ASP 251 Cb 0.88 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3gm6 h ASP 251 CO 0.00 0.17 0.00 0.54 -1.72 0.00 0.00 179.24 178.23 3gm6 n ARG 252 N -4.96 1.50 -1.89 3.56 1.74 -0.31 -4.95 116.66 111.36 3gm6 n ARG 252 Ca 0.02 -0.74 -0.20 0.00 -0.77 0.00 0.00 57.85 56.16 3gm6 n ARG 252 Cb 0.12 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 3gm6 n ARG 252 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gm6 n GLY 253 N 1.10 1.04 0.22 -0.13 0.00 -0.60 -4.89 105.19 101.92 3gm6 n GLY 253 Ca 0.19 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.28 3gm6 n GLY 253 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gm6 h LEU 254 N 0.00 0.00 0.00 0.99 3.38 -1.43 -3.49 115.31 114.76 3gm6 h LEU 254 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3gm6 h LEU 254 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3gm6 h LEU 254 CO 0.59 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.85 3gm6 n GLY 255 N 0.74 -1.49 0.22 0.83 0.00 -0.83 -3.95 105.19 100.71 3gm6 n GLY 255 Ca 0.02 -1.56 0.02 0.00 0.00 0.00 0.00 46.02 44.51 3gm6 n GLY 255 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gm6 h THR 256 N 0.00 1.21 -2.98 2.61 1.35 -1.83 -3.36 112.91 109.90 3gm6 h THR 256 Ca 0.00 -0.95 -0.61 0.00 -0.55 0.00 0.00 66.41 64.30 3gm6 h THR 256 Cb 0.00 1.39 -0.40 0.00 -1.73 0.00 0.00 68.15 67.41 3gm6 h THR 256 CO 0.00 0.29 -0.74 -0.31 -0.25 0.00 0.00 175.52 174.51 3gm6 s TYR 257 N -4.53 1.99 0.60 4.73 1.51 -1.26 -5.00 117.35 115.39 3gm6 s TYR 257 Ca -0.05 -2.43 0.30 0.00 -1.01 0.00 0.00 57.07 53.88 3gm6 s TYR 257 Cb 0.15 -1.89 1.75 0.00 -0.11 0.00 0.00 41.96 41.86 3gm6 s TYR 257 CO 0.73 -0.78 2.14 -1.35 -1.11 0.00 0.00 175.55 175.18 3gm6 h PRO 258 N 6.70 0.00 -0.26 -1.71 0.11 -1.71 -0.28 132.00 134.85 3gm6 h PRO 258 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3gm6 h PRO 258 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3gm6 h PRO 258 CO 0.48 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.99 3gm6 n HIS 259 N -3.69 0.33 -3.37 0.65 8.25 -1.26 -4.70 115.22 111.43 3gm6 n HIS 259 Ca 0.00 -0.17 -0.17 0.00 -0.26 0.00 0.00 57.72 57.13 3gm6 n HIS 259 Cb 0.27 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.30 3gm6 n HIS 259 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gm6 s ASP 260 N -1.48 1.24 0.44 0.41 -1.08 -0.11 -5.03 116.67 111.06 3gm6 s ASP 260 Ca 0.34 -1.40 0.10 0.00 -0.52 0.00 0.00 52.55 51.07 3gm6 s ASP 260 Cb 0.19 0.56 0.97 0.00 -1.46 0.00 0.00 42.92 43.18 3gm6 s ASP 260 CO 0.27 -0.29 2.07 -0.65 0.52 0.00 0.00 175.17 177.10 3gm6 h PRO 261 N 7.31 0.35 -0.01 4.34 0.11 -1.84 -1.08 132.00 141.18 3gm6 h PRO 261 Ca 0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 3gm6 h PRO 261 Cb 1.06 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3gm6 h PRO 261 CO 0.23 0.25 -0.02 0.28 -0.21 0.00 0.00 178.00 178.53 3gm6 h VAL 262 N 0.36 1.43 -0.69 3.15 2.07 -1.95 -2.17 116.25 118.45 3gm6 h VAL 262 Ca 0.10 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 3gm6 h VAL 262 Cb -0.00 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3gm6 h VAL 262 CO -0.02 0.34 0.38 0.50 0.02 0.00 0.00 177.57 178.79 3gm6 h LYS 263 N -0.50 0.94 -0.98 1.57 3.64 -1.89 -1.21 116.57 118.15 3gm6 h LYS 263 Ca 0.00 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3gm6 h LYS 263 Cb 0.57 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 3gm6 h LYS 263 CO 0.00 0.69 0.65 0.77 -2.27 0.00 0.00 179.45 179.29 3gm6 h SER 264 N 0.95 1.09 -0.10 4.20 0.02 -1.16 0.15 113.55 118.70 3gm6 h SER 264 Ca 0.24 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.98 3gm6 h SER 264 Cb 0.02 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.32 3gm6 h SER 264 CO -0.04 0.76 -0.72 -0.08 -1.14 0.00 0.00 176.83 175.60 3gm6 h GLU 265 N 1.27 0.66 -0.15 3.45 4.22 -0.69 -2.97 114.58 120.37 3gm6 h GLU 265 Ca 0.38 -0.58 -0.17 0.00 0.08 0.00 0.00 59.36 59.07 3gm6 h GLU 265 Cb -0.04 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3gm6 h GLU 265 CO -0.11 1.20 -0.61 1.96 -2.18 0.00 0.00 179.01 179.27 3gm6 h GLN 266 N 0.33 0.52 -2.28 1.92 4.20 -0.99 -3.34 115.11 115.47 3gm6 h GLN 266 Ca -0.06 -0.36 -0.61 0.00 0.06 0.00 0.00 58.65 57.68 3gm6 h GLN 266 Cb 1.37 0.05 -0.40 0.00 0.30 0.00 0.00 27.48 28.80 3gm6 h GLN 266 CO 0.15 0.97 -0.46 1.04 -0.67 0.00 0.00 178.83 179.86 3gm6 n GLN 267 N -3.92 3.38 -1.79 1.46 6.02 0.49 -4.78 117.38 118.24 3gm6 n GLN 267 Ca -0.04 -4.82 -0.09 0.00 -0.01 0.00 0.00 57.00 52.04 3gm6 n GLN 267 Cb 0.64 -2.27 0.04 0.00 1.02 0.00 0.00 30.24 29.67 3gm6 n GLN 267 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gm6 n GLY 268 N -0.08 1.68 3.03 1.08 0.00 -1.12 -4.75 105.19 105.04 3gm6 n GLY 268 Ca 0.32 -2.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.02 3gm6 n GLY 268 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gm6 s MET 269 N -3.26 0.74 -0.19 1.61 1.75 -1.26 -1.31 119.30 117.38 3gm6 s MET 269 Ca 0.28 -0.38 -0.01 0.00 -1.25 0.00 0.00 55.69 54.33 3gm6 s MET 269 Cb -0.02 -0.71 0.01 0.00 2.84 0.00 0.00 34.83 36.94 3gm6 s MET 269 CO 0.18 0.19 -0.14 0.99 -0.65 0.00 0.00 175.02 175.59 3gm6 s THR 270 N -0.31 2.63 -0.00 10.11 2.01 0.02 -4.94 115.64 125.16 3gm6 s THR 270 Ca 0.03 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 3gm6 s THR 270 Cb -0.04 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 3gm6 s THR 270 CO -0.00 0.50 1.06 -0.75 -0.69 0.00 0.00 174.62 174.74 3gm6 s LYS 271 N 1.24 4.49 -0.12 4.92 2.20 -1.26 -0.95 119.74 130.25 3gm6 s LYS 271 Ca 0.03 1.54 0.02 0.00 -0.36 0.00 0.00 55.97 57.20 3gm6 s LYS 271 Cb -0.14 -3.45 -0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3gm6 s LYS 271 CO -0.07 -0.18 -0.21 0.08 -0.36 0.00 0.00 175.35 174.62 3gm6 s VAL 272 N 1.27 2.30 -0.06 4.02 1.01 -0.16 -4.98 120.40 123.80 3gm6 s VAL 272 Ca 0.54 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3gm6 s VAL 272 Cb -0.23 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3gm6 s VAL 272 CO 0.26 0.55 -0.10 -0.89 0.00 0.00 0.00 175.10 174.92 3gm6 s THR 273 N 0.51 3.44 -0.07 3.92 2.01 -1.26 -1.16 115.64 123.03 3gm6 s THR 273 Ca -0.13 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.31 3gm6 s THR 273 Cb -0.17 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 3gm6 s THR 273 CO 0.05 0.59 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.08 3gm6 s PHE 274 N -0.78 2.76 0.14 4.92 0.40 0.09 -5.01 117.98 120.50 3gm6 s PHE 274 Ca 0.12 -0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 3gm6 s PHE 274 Cb -0.11 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 3gm6 s PHE 274 CO 0.01 0.13 0.19 -0.65 0.70 0.00 0.00 175.22 175.60 3gm6 s GLN 275 N -0.53 3.14 -0.21 0.44 1.11 -1.26 -1.47 119.66 120.87 3gm6 s GLN 275 Ca 0.07 -0.72 0.02 0.00 0.01 0.00 0.00 55.36 54.74 3gm6 s GLN 275 Cb -0.12 -2.80 0.04 0.00 -1.01 0.00 0.00 33.01 29.12 3gm6 s GLN 275 CO 0.02 0.52 -0.13 1.03 0.01 0.00 0.00 175.29 176.74 3gm6 s ARG 276 N -3.02 2.32 -0.17 2.91 1.81 0.02 -4.87 118.95 117.95 3gm6 s ARG 276 Ca 0.32 -1.00 -0.03 0.00 -1.72 0.00 0.00 55.73 53.31 3gm6 s ARG 276 Cb -0.11 -2.61 0.00 0.00 -0.45 0.00 0.00 34.95 31.79 3gm6 s ARG 276 CO 0.25 -0.42 0.15 0.41 -0.68 0.00 0.00 175.30 175.01 3gm6 n GLY 277 N 4.59 -0.21 2.43 -3.53 0.00 -1.26 -1.92 105.19 105.28 3gm6 n GLY 277 Ca -0.16 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3gm6 n GLY 277 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gm6 n ARG 278 N -0.75 0.00 -4.63 1.61 0.00 -1.26 -5.01 116.66 106.62 3gm6 n ARG 278 Ca -0.06 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.45 3gm6 n ARG 278 Cb 0.16 -0.77 -0.12 0.00 -0.00 0.00 0.00 32.46 31.74 3gm6 n ARG 278 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3gm6 s GLU 279 N -0.34 2.97 0.46 2.89 0.41 -0.81 -5.09 118.70 119.20 3gm6 s GLU 279 Ca 0.00 -0.57 -0.24 0.00 -0.41 0.00 0.00 54.97 53.75 3gm6 s GLU 279 Cb 0.00 -2.64 -0.08 0.00 -1.78 0.00 0.00 34.13 29.63 3gm6 s GLU 279 CO 0.00 0.53 1.30 -0.25 -0.49 0.00 0.00 175.26 176.35 3gm6 n ASP 280 N 2.63 2.61 0.11 -0.19 8.00 -1.26 -0.80 116.55 127.64 3gm6 n ASP 280 Ca -0.18 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.39 3gm6 n ASP 280 Cb 0.53 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 3gm6 n ASP 280 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3gm6 n PHE 281 N -0.48 -1.58 -4.28 1.24 7.35 -0.54 -4.77 117.46 114.41 3gm6 n PHE 281 Ca 0.08 0.28 -0.15 0.00 -0.76 0.00 0.00 57.45 56.89 3gm6 n PHE 281 Cb 0.41 0.36 -0.10 0.00 0.35 0.00 0.00 39.48 40.50 3gm6 n PHE 281 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 3gm6 s ARG 282 N -1.98 1.22 0.06 -4.13 1.70 -1.06 -0.70 118.95 114.05 3gm6 s ARG 282 Ca 0.00 -1.60 -0.07 0.00 -0.47 0.00 0.00 55.73 53.58 3gm6 s ARG 282 Cb 0.00 -0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 33.96 3gm6 s ARG 282 CO 0.00 -0.12 0.15 0.00 -1.08 0.00 0.00 175.30 174.25 3gm6 s ALA 283 N -3.56 -0.16 0.31 7.88 0.00 -1.26 -0.73 121.76 124.24 3gm6 s ALA 283 Ca 0.26 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.70 3gm6 s ALA 283 Cb 0.06 0.35 -0.06 0.00 0.00 0.00 0.00 23.12 23.47 3gm6 s ALA 283 CO 0.06 -0.41 0.06 0.96 0.00 0.00 0.00 175.76 176.44 3gm6 s ILE 284 N -3.20 1.07 -0.27 0.00 -4.36 -0.31 -4.86 121.20 109.26 3gm6 s ILE 284 Ca -0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 3gm6 s ILE 284 Cb 0.02 -2.76 0.08 0.00 1.25 0.00 0.00 42.46 41.05 3gm6 s ILE 284 CO -0.07 -0.00 0.00 -0.83 0.24 0.00 0.00 174.94 174.27 3gm6 s GLY 285 N -3.45 1.34 0.10 6.27 0.00 0.04 -0.99 107.32 110.62 3gm6 s GLY 285 Ca 0.37 -1.61 -0.30 0.00 0.00 0.00 0.00 44.72 43.17 3gm6 s GLY 285 CO 0.15 1.10 1.13 1.08 0.00 0.00 0.00 173.10 176.56 3gm6 s LEU 286 N 1.37 4.41 0.04 0.66 1.43 -0.13 -1.24 118.68 125.22 3gm6 s LEU 286 Ca 0.01 2.00 -0.16 0.00 -1.03 0.00 0.00 54.13 54.95 3gm6 s LEU 286 Cb -0.18 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.39 3gm6 s LEU 286 CO -0.11 -0.35 0.46 -0.76 0.23 0.00 0.00 176.35 175.83 3gm6 s LEU 287 N 0.51 4.48 0.45 1.79 1.43 -0.49 -0.80 118.68 126.05 3gm6 s LEU 287 Ca 0.54 1.05 0.13 0.00 -1.03 0.00 0.00 54.13 54.82 3gm6 s LEU 287 Cb -0.28 -2.74 1.03 0.00 0.03 0.00 0.00 46.19 44.23 3gm6 s LEU 287 CO 0.31 0.29 2.04 0.44 0.23 0.00 0.00 176.35 179.66 3gm6 h ASP 288 N 4.52 0.12 -5.52 2.29 3.32 -1.52 -3.44 116.42 116.20 3gm6 h ASP 288 Ca -0.51 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.31 3gm6 h ASP 288 Cb 1.21 -0.03 -0.15 0.00 0.22 0.00 0.00 39.33 40.58 3gm6 h ASP 288 CO 0.62 0.18 -0.63 0.42 -1.72 0.00 0.00 179.24 178.12 3gm6 s THR 289 N -4.95 0.04 -1.41 0.35 -4.23 -1.26 -5.00 115.64 99.18 3gm6 s THR 289 Ca -0.05 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.37 3gm6 s THR 289 Cb 0.16 -2.35 0.07 0.00 1.34 0.00 0.00 72.50 71.73 3gm6 s THR 289 CO 0.70 -0.15 2.20 0.00 -0.54 0.00 0.00 174.62 176.83 3gm6 n ALA 290 N -0.22 5.80 -2.95 3.99 0.00 -1.26 -4.88 120.51 120.99 3gm6 n ALA 290 Ca -0.00 -4.00 -0.44 0.00 0.00 0.00 0.00 53.44 49.00 3gm6 n ALA 290 Cb 0.65 -3.29 -0.04 0.00 0.00 0.00 0.00 19.45 16.78 3gm6 n ALA 290 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gm6 s ASP 291 N 2.12 6.23 0.52 0.00 -1.08 -1.26 -4.92 116.67 118.28 3gm6 s ASP 291 Ca 0.47 -1.26 0.23 0.00 -0.52 0.00 0.00 52.55 51.47 3gm6 s ASP 291 Cb 0.13 -2.38 1.39 0.00 -1.46 0.00 0.00 42.92 40.60 3gm6 s ASP 291 CO -0.06 -1.29 2.10 0.77 0.52 0.00 0.00 175.17 177.22 3gm6 h SER 292 N 9.35 0.00 -0.57 -0.34 4.64 -1.97 -2.21 113.55 122.46 3gm6 h SER 292 Ca -0.24 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.15 3gm6 h SER 292 Cb 1.07 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.10 3gm6 h SER 292 CO 1.15 0.10 0.27 0.78 -0.87 0.00 0.00 176.83 178.25 3gm6 h ASN 293 N 0.00 0.35 0.52 4.97 2.35 -1.93 -0.82 115.58 121.03 3gm6 h ASN 293 Ca -0.00 0.05 -0.25 0.00 -0.55 0.00 0.00 56.30 55.54 3gm6 h ASN 293 Cb 0.21 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3gm6 h ASN 293 CO 0.01 0.23 -1.12 0.58 -1.65 0.00 0.00 177.43 175.48 3gm6 h VAL 294 N 0.50 1.46 -0.26 2.81 2.07 -1.84 -2.56 116.25 118.44 3gm6 h VAL 294 Ca 0.26 -2.82 0.02 0.00 0.82 0.00 0.00 66.70 64.99 3gm6 h VAL 294 Cb 0.23 2.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 3gm6 h VAL 294 CO -0.21 0.83 0.10 0.24 0.02 0.00 0.00 177.57 178.55 3gm6 h MET 295 N 0.13 0.22 0.00 1.57 2.86 -1.13 -2.87 114.93 115.71 3gm6 h MET 295 Ca -0.11 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.42 3gm6 h MET 295 Cb 1.81 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.41 3gm6 h MET 295 CO 0.19 0.14 -0.43 0.00 1.06 0.00 0.00 176.91 177.87 3gm6 n ALA 297 N -2.41 1.60 0.27 0.00 0.00 -0.96 -1.72 120.51 117.29 3gm6 n ALA 297 Ca -0.01 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.50 3gm6 n ALA 297 Cb 0.48 -1.16 0.77 0.00 0.00 0.00 0.00 19.45 19.53 3gm6 n ALA 297 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gm6 h GLN 298 N 0.00 0.00 0.00 0.00 4.20 -1.49 -3.38 115.11 114.43 3gm6 h GLN 298 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gm6 h GLN 298 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3gm6 h GLN 298 CO 0.00 0.00 -0.43 0.00 -0.67 0.00 0.00 178.83 177.73 3gm6 n HIS 300 N -1.34 2.60 -4.18 0.00 8.25 -0.70 -4.85 115.22 115.00 3gm6 n HIS 300 Ca 0.00 -2.92 -0.11 0.00 -0.26 0.00 0.00 57.72 54.43 3gm6 n HIS 300 Cb 0.22 -2.10 -0.10 0.00 1.12 0.00 0.00 29.99 29.13 3gm6 n HIS 300 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3gm6 s VAL 301 N 0.25 0.24 0.22 1.59 -7.23 -0.74 -1.67 120.40 113.07 3gm6 s VAL 301 Ca 0.58 -1.93 -0.28 0.00 -1.81 0.00 0.00 61.98 58.54 3gm6 s VAL 301 Cb 0.18 -2.10 -0.09 0.00 0.56 0.00 0.00 36.38 34.93 3gm6 s VAL 301 CO -0.08 -0.43 0.88 -0.70 -0.31 0.00 0.00 175.10 174.46 3gm6 s GLU 302 N -4.02 4.72 0.21 4.82 2.56 -1.14 -4.40 118.70 121.44 3gm6 s GLU 302 Ca 0.25 1.35 -0.15 0.00 0.00 0.00 0.00 54.97 56.42 3gm6 s GLU 302 Cb 0.07 -3.22 0.01 0.00 2.00 0.00 0.00 34.13 32.99 3gm6 s GLU 302 CO 0.03 0.51 0.48 1.52 -0.56 0.00 0.00 175.26 177.24 3gm6 s TYR 303 N -1.22 0.10 -0.14 5.30 1.13 -1.26 -3.82 117.35 117.44 3gm6 s TYR 303 Ca 0.40 -0.46 -0.03 0.00 -1.41 0.00 0.00 57.07 55.57 3gm6 s TYR 303 Cb -0.24 0.27 -0.03 0.00 -1.10 0.00 0.00 41.96 40.86 3gm6 s TYR 303 CO 0.29 -0.92 -0.03 -0.80 -2.51 0.00 0.00 175.55 171.59 3gm6 s ASN 304 N -2.93 4.91 -0.41 -0.18 0.01 0.59 -4.86 114.94 112.06 3gm6 s ASN 304 Ca 0.14 -0.06 0.09 0.00 -0.71 0.00 0.00 52.86 52.32 3gm6 s ASN 304 Cb -0.00 -1.69 0.36 0.00 0.41 0.00 0.00 41.25 40.32 3gm6 s ASN 304 CO 0.01 0.22 1.08 0.00 -1.51 0.00 0.00 177.10 176.90 3gm6 s ASN 306 N -1.71 -0.04 0.92 0.00 4.22 -1.13 -4.56 114.94 112.64 3gm6 s ASN 306 Ca 0.26 0.00 -0.12 0.00 -2.14 0.00 0.00 52.86 50.87 3gm6 s ASN 306 Cb 0.35 0.04 0.14 0.00 1.28 0.00 0.00 41.25 43.06 3gm6 s ASN 306 CO -0.06 -0.06 1.10 -2.16 -2.04 0.00 0.00 177.10 173.89 3gm6 s PRO 307 N -2.03 1.10 0.00 3.55 0.04 -1.26 -4.51 135.00 131.88 3gm6 s PRO 307 Ca 0.11 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.70 3gm6 s PRO 307 Cb -0.01 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.72 3gm6 s PRO 307 CO -0.03 -2.28 0.00 0.41 0.04 0.00 0.00 177.00 175.13 3gm6 n GLY 308 N -1.57 3.04 3.21 0.56 0.00 0.09 -4.93 105.19 105.59 3gm6 n GLY 308 Ca 0.06 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 3gm6 n GLY 308 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gm6 s TYR 309 N -0.28 0.26 0.03 1.61 2.02 -0.26 -1.18 117.35 119.55 3gm6 s TYR 309 Ca 0.00 -0.69 -0.19 0.00 -0.37 0.00 0.00 57.07 55.82 3gm6 s TYR 309 Cb 0.00 -0.11 -0.06 0.00 -0.40 0.00 0.00 41.96 41.39 3gm6 s TYR 309 CO 0.00 -0.56 0.56 -0.65 -1.57 0.00 0.00 175.55 173.34 3gm6 s GLN 310 N -3.89 4.23 0.33 -0.62 -0.21 -0.11 -0.67 119.66 118.72 3gm6 s GLN 310 Ca 0.08 0.70 0.05 0.00 0.02 0.00 0.00 55.36 56.21 3gm6 s GLN 310 Cb 0.05 -3.29 0.58 0.00 1.00 0.00 0.00 33.01 31.36 3gm6 s GLN 310 CO -0.08 0.52 1.83 -0.07 -2.12 0.00 0.00 175.29 175.37 3gm6 h LEU 311 N 5.08 0.42 -0.05 2.90 3.38 -1.83 0.15 115.31 125.35 3gm6 h LEU 311 Ca -0.48 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 3gm6 h LEU 311 Cb 1.21 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3gm6 h LEU 311 CO 0.66 0.57 0.00 0.77 0.09 0.00 0.00 178.44 180.54 3gm6 h SER 312 N 0.41 0.09 0.00 -0.43 4.64 -1.93 -3.39 113.55 112.95 3gm6 h SER 312 Ca 0.08 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3gm6 h SER 312 Cb 0.45 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3gm6 h SER 312 CO 0.03 0.38 0.00 -0.90 -0.87 0.00 0.00 176.83 175.47 3gm6 n ASP 313 N -4.87 0.49 0.00 4.97 5.75 -1.24 -5.03 116.55 116.62 3gm6 n ASP 313 Ca -0.07 -1.13 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 3gm6 n ASP 313 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3gm6 n ASP 313 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gm6 n GLY 314 N -0.06 0.62 3.80 6.12 0.00 0.51 -4.98 105.19 111.20 3gm6 n GLY 314 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3gm6 n GLY 314 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gm6 s SER 315 N -2.46 5.74 0.27 1.61 1.04 -1.26 -4.50 113.70 114.13 3gm6 s SER 315 Ca 0.00 1.84 -0.30 0.00 0.48 0.00 0.00 55.95 57.98 3gm6 s SER 315 Cb 0.00 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 3gm6 s SER 315 CO 0.00 -1.20 1.40 -0.60 0.98 0.00 0.00 173.24 173.82 3gm6 s ARG 316 N -4.03 4.29 -0.29 4.02 3.00 -1.26 -0.93 118.95 123.74 3gm6 s ARG 316 Ca 0.64 2.27 -0.03 0.00 -1.00 0.00 0.00 55.73 57.61 3gm6 s ARG 316 Cb -0.17 -3.10 0.03 0.00 0.00 0.00 0.00 34.95 31.71 3gm6 s ARG 316 CO 0.37 -0.36 0.01 0.08 0.00 0.00 0.00 175.30 175.40 3gm6 s VAL 317 N -0.28 3.27 0.66 7.11 1.01 -0.33 -4.87 120.40 126.98 3gm6 s VAL 317 Ca 0.57 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 61.48 3gm6 s VAL 317 Cb -0.41 -2.77 0.11 0.00 0.00 0.00 0.00 36.38 33.31 3gm6 s VAL 317 CO 0.46 0.00 0.91 -0.83 0.00 0.00 0.00 175.10 175.63 3gm6 s GLY 318 N 1.34 1.73 0.47 4.51 0.00 -1.26 -0.73 107.32 113.39 3gm6 s GLY 318 Ca -0.02 -2.00 0.19 0.00 0.00 0.00 0.00 44.72 42.90 3gm6 s GLY 318 CO -0.01 -1.46 2.02 -0.33 0.00 0.00 0.00 173.10 173.32 3gm6 h MET 319 N -0.20 0.00 0.00 2.90 2.86 -1.91 -2.03 114.93 116.56 3gm6 h MET 319 Ca -0.32 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3gm6 h MET 319 Cb 1.28 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 3gm6 h MET 319 CO 0.39 0.17 -0.01 0.38 1.06 0.00 0.00 176.91 178.90 3gm6 h ASP 320 N 0.00 0.00 -3.71 1.22 2.03 -1.94 -3.43 116.42 110.58 3gm6 h ASP 320 Ca -0.00 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.80 3gm6 h ASP 320 Cb 0.34 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.83 3gm6 h ASP 320 CO 0.02 0.01 0.38 -0.62 -1.03 0.00 0.00 179.24 178.00 3gm6 s ASP 321 N -5.67 7.53 0.56 4.15 -1.08 -0.76 -4.95 116.67 116.45 3gm6 s ASP 321 Ca -0.05 1.98 0.27 0.00 -0.52 0.00 0.00 52.55 54.24 3gm6 s ASP 321 Cb 0.14 -2.61 1.49 0.00 -1.46 0.00 0.00 42.92 40.48 3gm6 s ASP 321 CO 0.48 0.04 2.01 -0.09 0.52 0.00 0.00 175.17 178.13 3gm6 h ARG 322 N 4.45 0.00 0.00 4.34 9.65 -1.88 -1.60 114.38 129.33 3gm6 h ARG 322 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3gm6 h ARG 322 Cb 1.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3gm6 h ARG 322 CO 0.69 0.00 0.00 0.00 2.80 0.00 0.00 179.97 183.46 3gm6 h ARG 323 N 0.00 0.00 0.00 0.20 3.08 -1.92 -1.90 114.38 113.84 3gm6 h ARG 323 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3gm6 h ARG 323 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3gm6 h ARG 323 CO -0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3gm6 n ALA 324 N -1.94 1.77 -3.58 0.04 0.00 -0.60 -4.13 120.51 112.06 3gm6 n ALA 324 Ca -0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 3gm6 n ALA 324 Cb 0.17 -1.23 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 3gm6 n ALA 324 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3gm6 s ASN 325 N -2.68 3.48 -0.15 0.00 2.47 -0.72 -2.84 114.94 114.51 3gm6 s ASN 325 Ca 0.12 -1.81 -0.07 0.00 0.42 0.00 0.00 52.86 51.52 3gm6 s ASN 325 Cb 0.09 -0.56 0.06 0.00 -1.45 0.00 0.00 41.25 39.39 3gm6 s ASN 325 CO 0.23 -0.37 0.34 -2.28 -3.72 0.00 0.00 177.10 171.29 3gm6 s HIS 326 N 1.46 -0.51 -0.32 0.43 2.46 -0.72 -4.93 115.29 113.16 3gm6 s HIS 326 Ca 0.13 1.11 -0.13 0.00 0.47 0.00 0.00 55.06 56.64 3gm6 s HIS 326 Cb -0.19 0.17 -0.02 0.00 -0.13 0.00 0.00 32.58 32.40 3gm6 s HIS 326 CO -0.18 -0.32 0.27 -0.06 -2.47 0.00 0.00 174.74 171.98 3gm6 s PHE 327 N 1.56 3.22 0.26 3.88 0.40 -1.26 -0.30 117.98 125.74 3gm6 s PHE 327 Ca -0.08 -0.05 -0.00 0.00 -0.60 0.00 0.00 56.93 56.20 3gm6 s PHE 327 Cb -0.10 -2.51 0.33 0.00 0.51 0.00 0.00 43.02 41.26 3gm6 s PHE 327 CO -0.11 -0.32 1.70 0.74 0.70 0.00 0.00 175.22 177.93 3gm6 h PHE 328 N 8.44 0.70 -6.15 0.36 -1.00 -1.95 -3.45 116.94 113.89 3gm6 h PHE 328 Ca -0.32 -0.14 -0.44 0.00 2.81 0.00 0.00 57.97 59.88 3gm6 h PHE 328 Cb 1.16 -0.17 0.03 0.00 3.61 0.00 0.00 35.95 40.57 3gm6 h PHE 328 CO 0.70 0.78 -0.78 1.87 -1.61 0.00 0.00 178.31 179.27 3gm6 n TRP 329 N -4.14 -2.21 -4.18 -0.55 -0.00 -1.26 -4.98 117.44 100.13 3gm6 n TRP 329 Ca 0.00 0.89 -0.16 0.00 -0.00 0.00 0.00 57.50 58.24 3gm6 n TRP 329 Cb 0.39 -4.30 -0.14 0.00 -0.00 0.00 0.00 31.31 27.27 3gm6 n TRP 329 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3gm6 s ALA 330 N -3.45 0.56 1.01 5.87 0.00 -1.26 -4.99 121.76 119.49 3gm6 s ALA 330 Ca 0.37 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.76 3gm6 s ALA 330 Cb -0.18 -0.09 0.20 0.00 0.00 0.00 0.00 23.12 23.05 3gm6 s ALA 330 CO 0.81 0.10 1.20 0.54 0.00 0.00 0.00 175.76 178.41 3gm6 s ASN 331 N -0.52 2.67 0.37 0.00 2.20 -1.26 -4.74 114.94 113.66 3gm6 s ASN 331 Ca -0.00 0.60 0.05 0.00 -0.94 0.00 0.00 52.86 52.56 3gm6 s ASN 331 Cb -0.04 -0.88 0.71 0.00 -2.00 0.00 0.00 41.25 39.04 3gm6 s ASN 331 CO -0.00 -3.04 1.98 1.62 -2.94 0.00 0.00 177.10 174.72 3gm6 h VAL 332 N -1.84 1.15 -0.00 3.54 3.04 -1.99 -1.27 116.25 118.88 3gm6 h VAL 332 Ca -0.46 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 64.78 3gm6 h VAL 332 Cb 1.28 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 3gm6 h VAL 332 CO 0.45 0.18 -0.02 0.49 -1.01 0.00 0.00 177.57 177.66 3gm6 n PHE 333 N -4.39 0.00 0.56 3.17 3.72 -1.26 -3.20 117.46 116.05 3gm6 n PHE 333 Ca 0.03 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.49 3gm6 n PHE 333 Cb 0.13 -0.48 0.01 0.00 -0.94 0.00 0.00 39.48 38.19 3gm6 n PHE 333 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3gm6 n ASP 334 N -1.49 1.48 -0.10 4.37 8.00 -0.57 -4.76 116.55 123.49 3gm6 n ASP 334 Ca 0.07 -1.24 -0.11 0.00 0.71 0.00 0.00 54.79 54.22 3gm6 n ASP 334 Cb 0.34 0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.81 3gm6 n ASP 334 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3gm6 h TYR 335 N 1.56 0.54 -0.64 1.24 3.20 -1.28 -1.39 116.97 120.21 3gm6 h TYR 335 Ca 0.00 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 61.82 3gm6 h TYR 335 Cb 0.45 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 3gm6 h TYR 335 CO 0.00 0.63 0.38 -0.22 -1.64 0.00 0.00 178.16 177.32 3gm6 h LYS 336 N 0.29 0.72 -0.70 1.82 3.64 -1.86 0.52 116.57 121.00 3gm6 h LYS 336 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3gm6 h LYS 336 Cb 0.41 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3gm6 h LYS 336 CO 0.01 0.47 0.44 1.49 -2.27 0.00 0.00 179.45 179.59 3gm6 h GLU 337 N 0.74 0.93 -0.69 1.90 4.81 -1.86 -0.38 114.58 120.04 3gm6 h GLU 337 Ca 0.26 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3gm6 h GLU 337 Cb 0.06 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3gm6 h GLU 337 CO -0.12 0.65 0.32 0.00 -0.73 0.00 0.00 179.01 179.13 3gm6 h ALA 338 N 1.23 1.28 -0.22 2.92 0.00 -0.09 -0.79 119.26 123.59 3gm6 h ALA 338 Ca 0.25 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 3gm6 h ALA 338 Cb -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3gm6 h ALA 338 CO -0.05 0.56 -0.65 0.00 0.00 0.00 0.00 179.25 179.10 3gm6 h ALA 339 N 1.38 0.42 -0.94 0.00 0.00 -0.59 -3.11 119.26 116.41 3gm6 h ALA 339 Ca 0.24 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3gm6 h ALA 339 Cb 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3gm6 h ALA 339 CO -0.03 0.69 0.57 1.96 0.00 0.00 0.00 179.25 182.44 3gm6 h GLN 340 N 0.60 1.28 -0.94 0.00 4.20 -0.79 -0.71 115.11 118.74 3gm6 h GLN 340 Ca -0.02 -0.11 0.16 0.00 0.06 0.00 0.00 58.65 58.74 3gm6 h GLN 340 Cb 1.27 -0.27 -0.08 0.00 0.30 0.00 0.00 27.48 28.70 3gm6 h GLN 340 CO 0.14 0.89 0.60 0.93 -0.67 0.00 0.00 178.83 180.72 3gm6 h GLU 341 N 1.30 0.72 -0.56 1.46 5.08 -1.08 -0.76 114.58 120.74 3gm6 h GLU 341 Ca 0.34 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3gm6 h GLU 341 Cb -0.06 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.02 3gm6 h GLU 341 CO -0.06 0.48 0.00 0.44 -1.00 0.00 0.00 179.01 178.86 3gm6 n ILE 342 N -4.61 0.91 -3.55 3.13 -5.35 -1.05 -5.01 119.36 103.83 3gm6 n ILE 342 Ca 0.19 -0.96 -0.26 0.00 -0.27 0.00 0.00 62.75 61.46 3gm6 n ILE 342 Cb 0.49 0.58 0.05 0.00 -1.74 0.00 0.00 39.64 39.02 3gm6 n ILE 342 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3gm6 n ASP 343 N 1.27 -5.78 -3.84 7.28 2.03 -0.29 -4.99 116.55 112.23 3gm6 n ASP 343 Ca 0.20 -0.90 -0.12 0.00 0.52 0.00 0.00 54.79 54.48 3gm6 n ASP 343 Cb 0.55 -3.90 -0.13 0.00 -0.72 0.00 0.00 41.12 36.92 3gm6 n ASP 343 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3gm6 s PHE 344 N -3.42 -0.10 0.14 -0.67 2.19 -1.03 -3.50 117.98 111.59 3gm6 s PHE 344 Ca 0.45 0.25 -0.01 0.00 0.33 0.00 0.00 56.93 57.95 3gm6 s PHE 344 Cb -0.13 0.03 -0.04 0.00 -1.31 0.00 0.00 43.02 41.57 3gm6 s PHE 344 CO 0.83 -0.05 0.06 -0.59 1.83 0.00 0.00 175.22 177.30 3gm6 s PHE 345 N 0.07 0.90 -0.22 10.12 -0.71 0.16 -4.69 117.98 123.61 3gm6 s PHE 345 Ca -0.00 -1.25 -0.18 0.00 -1.04 0.00 0.00 56.93 54.46 3gm6 s PHE 345 Cb -0.01 -0.49 -0.18 0.00 -1.21 0.00 0.00 43.02 41.13 3gm6 s PHE 345 CO 0.00 -0.53 0.10 -0.25 -1.34 0.00 0.00 175.22 173.19 3gm6 n ASP 346 N -0.12 1.91 -3.75 1.98 9.92 -0.87 -1.10 116.55 124.53 3gm6 n ASP 346 Ca -0.05 0.37 -0.10 0.00 -0.53 0.00 0.00 54.79 54.48 3gm6 n ASP 346 Cb 0.64 -0.91 -0.04 0.00 -0.64 0.00 0.00 41.12 40.17 3gm6 n ASP 346 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3gm6 s PHE 347 N -2.42 -0.08 -0.21 1.24 -0.71 -1.06 -4.63 117.98 110.11 3gm6 s PHE 347 Ca -0.30 -0.26 -0.10 0.00 -1.04 0.00 0.00 56.93 55.23 3gm6 s PHE 347 Cb 0.08 0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 42.18 3gm6 s PHE 347 CO 0.59 -0.88 0.13 1.03 -1.34 0.00 0.00 175.22 174.75 3gm6 s ARG 348 N -3.87 4.08 0.27 1.99 0.52 -1.26 -0.57 118.95 120.11 3gm6 s ARG 348 Ca 0.09 -0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 54.73 3gm6 s ARG 348 Cb -0.00 -3.42 -0.11 0.00 0.52 0.00 0.00 34.95 31.94 3gm6 s ARG 348 CO -0.04 0.19 1.55 -1.58 0.02 0.00 0.00 175.30 175.44 3gm6 s HIS 349 N 0.67 2.85 0.53 -0.53 5.65 -0.28 -4.68 115.29 119.50 3gm6 s HIS 349 Ca 0.07 0.84 0.20 0.00 0.25 0.00 0.00 55.06 56.42 3gm6 s HIS 349 Cb -0.12 -3.99 1.42 0.00 -1.18 0.00 0.00 32.58 28.70 3gm6 s HIS 349 CO 0.01 -3.32 2.16 0.00 -0.65 0.00 0.00 174.74 172.95 3gm6 h ALA 350 N 5.05 1.80 0.00 1.58 0.00 -1.42 -1.25 119.26 125.02 3gm6 h ALA 350 Ca -0.46 -0.02 -0.42 0.00 0.00 0.00 0.00 54.91 54.00 3gm6 h ALA 350 Cb 1.22 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3gm6 h ALA 350 CO 0.80 0.03 -2.43 2.41 0.00 0.00 0.00 179.25 180.06 3gm6 n THR 351 N -4.28 1.40 0.12 0.00 -1.04 -1.26 -4.68 114.28 104.54 3gm6 n THR 351 Ca -0.03 -0.39 0.09 0.00 -2.04 0.00 0.00 64.05 61.68 3gm6 n THR 351 Cb 0.11 -1.77 0.02 0.00 -1.82 0.00 0.00 70.33 66.88 3gm6 n THR 351 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3gm6 h THR 352 N -0.77 0.17 0.00 12.58 1.35 -1.88 -3.45 112.91 120.91 3gm6 h THR 352 Ca -0.63 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 3gm6 h THR 352 Cb 1.61 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 3gm6 h THR 352 CO -0.34 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.63 3gm6 n GLY 353 N 1.20 0.74 3.77 5.82 0.00 -0.47 -4.93 105.19 111.32 3gm6 n GLY 353 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3gm6 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gm6 s ALA 354 N -3.14 3.31 0.02 4.61 0.00 -1.26 -4.53 121.76 120.77 3gm6 s ALA 354 Ca 0.00 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 3gm6 s ALA 354 Cb 0.00 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 3gm6 s ALA 354 CO 0.00 -0.61 1.37 0.00 0.00 0.00 0.00 175.76 176.52 3gm6 s ALA 355 N -1.26 3.56 0.12 0.00 0.00 -1.26 -1.13 121.76 121.79 3gm6 s ALA 355 Ca 0.53 0.90 0.06 0.00 0.00 0.00 0.00 51.96 53.45 3gm6 s ALA 355 Cb -0.36 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 3gm6 s ALA 355 CO 0.46 -0.82 -0.14 -0.51 0.00 0.00 0.00 175.76 174.75 3gm6 s LEU 356 N 2.07 2.40 0.34 0.00 1.43 0.26 -4.49 118.68 120.70 3gm6 s LEU 356 Ca 0.63 -0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 3gm6 s LEU 356 Cb -0.32 -0.57 -0.06 0.00 0.03 0.00 0.00 46.19 45.28 3gm6 s LEU 356 CO 0.27 -0.14 0.65 -2.16 0.23 0.00 0.00 176.35 175.21 3gm6 s PRO 357 N -2.67 3.71 -0.23 1.29 0.04 -1.26 -2.04 135.00 133.83 3gm6 s PRO 357 Ca 0.09 0.23 -0.04 0.00 0.04 0.00 0.00 61.00 61.32 3gm6 s PRO 357 Cb -0.05 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.95 3gm6 s PRO 357 CO 0.03 0.10 -0.03 0.21 0.04 0.00 0.00 177.00 177.36 3gm6 s LYS 358 N -3.66 3.36 -0.03 4.56 2.47 -1.26 -4.90 119.74 120.27 3gm6 s LYS 358 Ca 0.47 -0.64 -0.04 0.00 -1.56 0.00 0.00 55.97 54.19 3gm6 s LYS 358 Cb -0.11 -3.06 -0.04 0.00 -1.46 0.00 0.00 37.83 33.16 3gm6 s LYS 358 CO 0.30 -0.22 0.19 -0.51 0.16 0.00 0.00 175.35 175.27 3gm6 s LEU 359 N 1.48 4.38 -0.01 5.43 2.01 -1.26 -4.90 118.68 125.80 3gm6 s LEU 359 Ca 0.05 0.42 -0.00 0.00 0.01 0.00 0.00 54.13 54.61 3gm6 s LEU 359 Cb -0.15 -2.50 0.02 0.00 0.01 0.00 0.00 46.19 43.58 3gm6 s LEU 359 CO -0.02 0.30 0.02 -1.10 1.01 0.00 0.00 176.35 176.55 3gm6 s GLN 360 N -1.68 -0.02 0.00 1.70 1.11 -1.26 -4.81 119.66 114.69 3gm6 s GLN 360 Ca 0.24 0.13 0.00 0.00 0.01 0.00 0.00 55.36 55.74 3gm6 s GLN 360 Cb -0.13 -0.17 0.00 0.00 -1.01 0.00 0.00 33.01 31.71 3gm6 s GLN 360 CO 0.15 -0.11 0.00 -2.39 0.01 0.00 0.00 175.29 172.94 3gm6 n HIS 361 N 3.83 0.00 -1.56 0.91 1.44 -1.15 -2.88 115.22 115.82 3gm6 n HIS 361 Ca -0.23 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.18 3gm6 n HIS 361 Cb 0.53 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.59 3gm6 n HIS 361 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3gm6 n PRO 362 N -0.42 3.13 -0.24 -1.40 -0.04 -1.26 -1.80 135.00 132.98 3gm6 n PRO 362 Ca 0.00 -2.47 -0.06 0.00 -0.04 0.00 0.00 63.50 60.92 3gm6 n PRO 362 Cb 0.00 -2.33 0.04 0.00 -0.04 0.00 0.00 33.50 31.17 3gm6 n PRO 362 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gm6 h GLU 363 N 3.66 0.93 -0.15 0.54 3.07 -1.83 -2.21 114.58 118.60 3gm6 h GLU 363 Ca 0.50 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 3gm6 h GLU 363 Cb 0.67 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 3gm6 h GLU 363 CO 1.04 0.72 0.05 0.00 -1.40 0.00 0.00 179.01 179.42 3gm6 h ALA 364 N 1.16 0.19 0.00 3.43 0.00 -1.61 -1.04 119.26 121.40 3gm6 h ALA 364 Ca 0.23 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3gm6 h ALA 364 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3gm6 h ALA 364 CO -0.03 -0.20 -0.53 0.93 0.00 0.00 0.00 179.25 179.42 3gm6 h GLU 365 N 0.06 0.00 -0.27 0.00 3.07 -1.81 -2.93 114.58 112.70 3gm6 h GLU 365 Ca 0.05 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.82 3gm6 h GLU 365 Cb 0.22 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3gm6 h GLU 365 CO -0.00 0.53 -0.17 1.15 -1.40 0.00 0.00 179.01 179.12 3gm6 h THR 366 N 0.00 1.30 -0.28 1.13 2.02 -1.25 -3.27 112.91 112.56 3gm6 h THR 366 Ca -0.01 -1.29 0.03 0.00 0.77 0.00 0.00 66.41 65.91 3gm6 h THR 366 Cb 0.97 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 3gm6 h THR 366 CO 0.07 0.41 0.19 0.15 0.37 0.00 0.00 175.52 176.70 3gm6 h PHE 367 N 0.31 0.26 -2.07 3.16 3.57 -1.00 -3.42 116.94 117.75 3gm6 h PHE 367 Ca 0.05 0.01 -0.62 0.00 3.53 0.00 0.00 57.97 60.94 3gm6 h PHE 367 Cb 0.70 -0.09 0.06 0.00 2.79 0.00 0.00 35.95 39.41 3gm6 h PHE 367 CO 0.07 0.16 0.65 0.91 -2.23 0.00 0.00 178.31 177.86 3gm6 n TRP 368 N -4.49 1.96 -0.09 0.41 8.01 -1.18 -1.91 117.44 120.15 3gm6 n TRP 368 Ca 0.02 0.42 0.00 0.00 -1.31 0.00 0.00 57.50 56.63 3gm6 n TRP 368 Cb 0.15 -2.45 0.00 0.00 -2.01 0.00 0.00 31.31 27.00 3gm6 n TRP 368 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3gm6 n GLY 369 N 2.99 2.27 3.71 6.99 0.00 -1.26 -5.03 105.19 114.85 3gm6 n GLY 369 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3gm6 n GLY 369 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gm6 s SER 370 N -3.56 3.55 0.23 1.61 1.04 -0.80 -4.76 113.70 111.00 3gm6 s SER 370 Ca 0.00 1.80 -0.08 0.00 0.48 0.00 0.00 55.95 58.15 3gm6 s SER 370 Cb 0.00 -2.42 0.20 0.00 0.10 0.00 0.00 66.02 63.90 3gm6 s SER 370 CO 0.00 -2.64 1.90 0.58 0.98 0.00 0.00 173.24 174.06 3gm6 h VAL 371 N -1.55 1.21 -0.37 5.02 2.07 -1.89 -0.66 116.25 120.08 3gm6 h VAL 371 Ca -0.46 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 3gm6 h VAL 371 Cb 1.26 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3gm6 h VAL 371 CO 0.50 0.21 0.09 0.45 0.02 0.00 0.00 177.57 178.83 3gm6 h HIS 372 N 1.15 0.62 -0.72 1.57 -0.00 -1.92 -2.30 115.15 113.55 3gm6 h HIS 372 Ca 0.32 -0.08 -0.06 0.00 -0.00 0.00 0.00 60.37 60.55 3gm6 h HIS 372 Cb -0.12 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.08 3gm6 h HIS 372 CO -0.01 0.62 0.22 1.49 -0.00 0.00 0.00 177.93 180.25 3gm6 h GLU 373 N 0.45 1.11 0.00 2.45 4.22 -1.64 -1.74 114.58 119.43 3gm6 h GLU 373 Ca 0.12 -0.23 -0.02 0.00 0.08 0.00 0.00 59.36 59.30 3gm6 h GLU 373 Cb 0.31 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3gm6 h GLU 373 CO 0.00 0.95 -0.10 0.00 -2.18 0.00 0.00 179.01 177.68 3gm6 h ARG 374 N 1.07 0.00 -0.59 1.92 2.47 -0.99 -1.47 114.38 116.79 3gm6 h ARG 374 Ca 0.23 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 3gm6 h ARG 374 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 3gm6 h ARG 374 CO -0.01 0.10 0.00 0.09 0.56 0.00 0.00 179.97 180.71 3gm6 n ASN 375 N -3.26 3.37 0.00 7.04 3.02 -0.83 -4.95 115.26 119.65 3gm6 n ASN 375 Ca 0.00 -2.18 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 3gm6 n ASN 375 Cb 0.34 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 3gm6 n ASN 375 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gm6 n GLY 376 N 1.14 0.53 3.81 7.41 0.00 -0.55 -5.04 105.19 112.47 3gm6 n GLY 376 Ca 0.19 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3gm6 n GLY 376 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gm6 s VAL 377 N -2.00 4.21 0.21 1.61 1.01 -0.72 -5.03 120.40 119.70 3gm6 s VAL 377 Ca 0.00 1.50 0.02 0.00 0.00 0.00 0.00 61.98 63.50 3gm6 s VAL 377 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 3gm6 s VAL 377 CO 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 175.10 174.93 3gm6 s ALA 378 N -1.99 1.61 0.26 5.51 0.00 -1.26 -4.39 121.76 121.50 3gm6 s ALA 378 Ca 0.60 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 3gm6 s ALA 378 Cb -0.13 0.61 0.54 0.00 0.00 0.00 0.00 23.12 24.14 3gm6 s ALA 378 CO 0.17 -0.31 1.67 0.00 0.00 0.00 0.00 175.76 177.29 3gm6 h ALA 380 N 1.67 1.84 -0.10 0.00 0.00 -1.89 -1.54 119.26 119.25 3gm6 h ALA 380 Ca 0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 3gm6 h ALA 380 Cb 0.84 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3gm6 h ALA 380 CO -0.57 0.13 -0.06 -0.44 0.00 0.00 0.00 179.25 178.32 3gm6 h ASP 381 N 0.36 0.13 0.00 0.00 3.32 -1.39 0.50 116.42 119.33 3gm6 h ASP 381 Ca 0.11 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3gm6 h ASP 381 Cb 0.03 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 3gm6 h ASP 381 CO -0.02 0.22 -1.80 0.00 -1.72 0.00 0.00 179.24 175.91 3gm6 n HIS 383 N -2.13 0.00 -2.92 0.00 8.25 -0.61 -3.65 115.22 114.15 3gm6 n HIS 383 Ca -0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.27 3gm6 n HIS 383 Cb 0.48 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.60 3gm6 n HIS 383 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gm6 n MET 384 N -1.20 0.78 -1.49 -0.41 -0.00 0.14 -2.75 117.12 112.19 3gm6 n MET 384 Ca 0.00 -2.34 -0.29 0.00 -0.00 0.00 0.00 57.70 55.07 3gm6 n MET 384 Cb 0.00 -1.36 0.12 0.00 -0.00 0.00 0.00 33.22 31.98 3gm6 n MET 384 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3gm6 s PRO 385 N -0.13 1.42 0.40 3.17 0.04 -1.03 -4.44 135.00 134.43 3gm6 s PRO 385 Ca 0.33 0.47 -0.26 0.00 0.04 0.00 0.00 61.00 61.57 3gm6 s PRO 385 Cb 0.22 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.81 3gm6 s PRO 385 CO -0.18 -2.04 1.28 0.15 0.04 0.00 0.00 177.00 176.25 3gm6 s LYS 386 N -5.18 4.02 0.39 4.56 -0.14 -1.26 -1.70 119.74 120.42 3gm6 s LYS 386 Ca 0.63 2.10 -0.24 0.00 -1.36 0.00 0.00 55.97 57.10 3gm6 s LYS 386 Cb -0.15 -2.77 -0.09 0.00 -1.68 0.00 0.00 37.83 33.13 3gm6 s LYS 386 CO 0.54 -0.43 1.04 0.14 -0.76 0.00 0.00 175.35 175.88 3gm6 s VAL 387 N -1.27 3.78 -0.21 3.17 -7.23 -0.54 -4.85 120.40 113.25 3gm6 s VAL 387 Ca 0.56 1.38 -0.05 0.00 -1.81 0.00 0.00 61.98 62.05 3gm6 s VAL 387 Cb -0.37 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 32.83 3gm6 s VAL 387 CO 0.47 0.02 0.01 0.00 -0.31 0.00 0.00 175.10 175.30 3gm6 s GLN 388 N -2.44 3.63 -0.05 4.82 0.00 -1.26 -4.69 119.66 119.67 3gm6 s GLN 388 Ca 0.57 -0.51 0.03 0.00 -0.00 0.00 0.00 55.36 55.45 3gm6 s GLN 388 Cb -0.22 -3.13 0.00 0.00 0.00 0.00 0.00 33.01 29.67 3gm6 s GLN 388 CO 0.27 -0.02 -0.13 -0.51 0.00 0.00 0.00 175.29 174.90 3gm6 s LEU 389 N 1.10 1.80 0.24 2.60 1.43 -1.26 -5.02 118.68 119.57 3gm6 s LEU 389 Ca 0.03 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3gm6 s LEU 389 Cb -0.14 -0.82 0.32 0.00 0.03 0.00 0.00 46.19 45.58 3gm6 s LEU 389 CO 0.02 0.09 1.87 -0.33 0.23 0.00 0.00 176.35 178.23 3gm6 h GLU 390 N 6.50 1.01 -2.60 1.70 5.08 -2.04 -3.40 114.58 120.84 3gm6 h GLU 390 Ca -0.32 -0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 57.68 3gm6 h GLU 390 Cb 1.18 -0.23 -0.35 0.00 0.50 0.00 0.00 28.75 29.85 3gm6 h GLU 390 CO 0.48 0.67 -0.61 -0.80 -1.00 0.00 0.00 179.01 177.75 3gm6 s ASN 391 N -5.83 1.11 0.00 1.42 0.01 -1.26 -5.15 114.94 105.24 3gm6 s ASN 391 Ca -0.13 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 3gm6 s ASN 391 Cb 0.18 0.45 0.00 0.00 0.41 0.00 0.00 41.25 42.30 3gm6 s ASN 391 CO 0.80 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 176.69 3gm6 n GLY 392 N 5.33 1.53 3.65 0.66 0.00 -1.26 -5.11 105.19 109.99 3gm6 n GLY 392 Ca -0.05 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 3gm6 n GLY 392 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gm6 s LYS 393 N -2.00 4.22 0.33 1.61 2.20 -1.26 -4.93 119.74 119.91 3gm6 s LYS 393 Ca 0.00 0.94 -0.29 0.00 -0.36 0.00 0.00 55.97 56.26 3gm6 s LYS 393 Cb 0.00 -3.62 -0.10 0.00 -1.51 0.00 0.00 37.83 32.60 3gm6 s LYS 393 CO 0.00 -0.44 1.31 0.08 -0.36 0.00 0.00 175.35 175.94 3gm6 s VAL 394 N 2.56 2.72 0.22 4.02 1.01 -1.26 -5.05 120.40 124.62 3gm6 s VAL 394 Ca 0.35 0.73 -0.00 0.00 0.00 0.00 0.00 61.98 63.06 3gm6 s VAL 394 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3gm6 s VAL 394 CO 0.09 0.17 0.11 -0.72 0.00 0.00 0.00 175.10 174.76 3gm6 s TYR 395 N -1.13 1.32 -0.24 5.22 1.13 -1.26 -5.03 117.35 117.35 3gm6 s TYR 395 Ca 0.49 -1.29 -0.17 0.00 -1.41 0.00 0.00 57.07 54.69 3gm6 s TYR 395 Cb -0.40 -0.70 -0.03 0.00 -1.10 0.00 0.00 41.96 39.73 3gm6 s TYR 395 CO 0.53 -0.50 0.48 0.99 -2.51 0.00 0.00 175.55 174.54 3gm6 s THR 396 N -3.98 5.11 0.22 -3.49 2.01 -1.26 -1.47 115.64 112.78 3gm6 s THR 396 Ca 0.38 0.84 -0.32 0.00 0.31 0.00 0.00 61.69 62.90 3gm6 s THR 396 Cb 0.07 -3.80 -0.13 0.00 0.01 0.00 0.00 72.50 68.66 3gm6 s THR 396 CO 0.12 0.15 1.60 -0.24 -0.69 0.00 0.00 174.62 175.56 3gm6 n SER 397 N 5.14 3.52 -1.64 3.53 2.88 -0.69 -4.81 113.62 121.55 3gm6 n SER 397 Ca -0.05 1.10 0.04 0.00 -1.33 0.00 0.00 58.87 58.63 3gm6 n SER 397 Cb 0.50 -1.52 0.34 0.00 -0.75 0.00 0.00 64.21 62.79 3gm6 n SER 397 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3gm6 n HIS 398 N 3.01 1.85 0.26 0.66 8.25 -1.26 -4.45 115.22 123.54 3gm6 n HIS 398 Ca 0.14 -0.90 0.14 0.00 -0.26 0.00 0.00 57.72 56.84 3gm6 n HIS 398 Cb 0.33 -0.50 0.68 0.00 1.12 0.00 0.00 29.99 31.61 3gm6 n HIS 398 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3gm6 h SER 399 N 3.07 0.00 -6.44 0.41 0.87 -1.84 -3.25 113.55 106.36 3gm6 h SER 399 Ca 0.06 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.26 3gm6 h SER 399 Cb 1.92 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.89 3gm6 h SER 399 CO 0.48 0.12 -1.07 0.00 -0.53 0.00 0.00 176.83 175.82 3gm6 n GLN 400 N -3.38 -1.85 -3.96 2.24 3.00 -1.12 -4.88 117.38 107.43 3gm6 n GLN 400 Ca -0.01 1.32 -0.11 0.00 -0.01 0.00 0.00 57.00 58.20 3gm6 n GLN 400 Cb 0.30 -2.60 -0.02 0.00 0.00 0.00 0.00 30.24 27.91 3gm6 n GLN 400 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 3gm6 s ARG 401 N -3.15 1.89 0.39 -1.09 1.70 -1.11 -4.82 118.95 112.76 3gm6 s ARG 401 Ca 0.26 -1.45 -0.27 0.00 -0.47 0.00 0.00 55.73 53.79 3gm6 s ARG 401 Cb -0.03 0.52 -0.11 0.00 -0.57 0.00 0.00 34.95 34.76 3gm6 s ARG 401 CO 0.87 -0.83 1.44 -2.37 -1.08 0.00 0.00 175.30 173.34 3gm6 n THR 402 N -0.49 2.15 0.27 4.99 5.66 -1.26 -4.49 114.28 121.10 3gm6 n THR 402 Ca -0.03 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.56 3gm6 n THR 402 Cb 0.61 -1.89 0.42 0.00 -1.55 0.00 0.00 70.33 67.92 3gm6 n THR 402 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3gm6 n PRO 403 N 0.34 0.12 0.04 1.09 -0.04 -1.24 -2.88 135.00 132.42 3gm6 n PRO 403 Ca 0.02 0.48 0.22 0.00 -0.04 0.00 0.00 63.50 64.18 3gm6 n PRO 403 Cb 0.39 -1.79 0.73 0.00 -0.04 0.00 0.00 33.50 32.79 3gm6 n PRO 403 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gm6 h ARG 404 N 0.00 0.00 0.00 0.54 3.08 -1.90 -0.81 114.38 115.28 3gm6 h ARG 404 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gm6 h ARG 404 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3gm6 h ARG 404 CO 0.00 0.00 -0.35 -0.25 -1.07 0.00 0.00 179.97 178.30 3gm6 n ASP 405 N -3.81 0.40 -2.77 7.04 9.92 -1.14 -4.37 116.55 121.82 3gm6 n ASP 405 Ca 0.10 0.05 -0.10 0.00 -0.53 0.00 0.00 54.79 54.31 3gm6 n ASP 405 Cb 0.70 -0.02 0.06 0.00 -0.64 0.00 0.00 41.12 41.21 3gm6 n ASP 405 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 3gm6 n MET 406 N -1.62 1.11 0.17 -1.24 0.00 -0.35 -4.99 117.12 110.20 3gm6 n MET 406 Ca 0.06 -2.64 0.05 0.00 0.00 0.00 0.00 57.70 55.17 3gm6 n MET 406 Cb 0.36 -0.91 0.48 0.00 0.00 0.00 0.00 33.22 33.14 3gm6 n MET 406 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 3gm6 h MET 407 N 2.68 0.13 -0.70 3.17 2.86 -1.65 -0.81 114.93 120.62 3gm6 h MET 407 Ca -0.12 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3gm6 h MET 407 Cb 1.17 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.78 3gm6 h MET 407 CO 0.27 0.24 0.41 0.78 1.06 0.00 0.00 176.91 179.67 3gm6 h GLY 408 N 0.53 1.02 0.77 8.32 0.00 -1.94 -0.19 103.07 111.58 3gm6 h GLY 408 Ca 0.03 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 3gm6 h GLY 408 CO 0.01 0.42 -1.36 -1.06 0.00 0.00 0.00 176.54 174.55 3gm6 n GLN 409 N -4.54 0.62 -0.12 4.80 3.00 -0.88 -2.58 117.38 117.69 3gm6 n GLN 409 Ca 0.06 0.09 0.05 0.00 -0.01 0.00 0.00 57.00 57.19 3gm6 n GLN 409 Cb 0.06 -1.75 0.11 0.00 0.00 0.00 0.00 30.24 28.66 3gm6 n GLN 409 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gm6 n ALA 410 N -2.28 2.23 0.22 -1.58 0.00 -0.36 -4.78 120.51 113.96 3gm6 n ALA 410 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.39 3gm6 n ALA 410 Cb 0.66 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.75 3gm6 n ALA 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gm6 h LEU 412 N 0.00 0.00 -1.47 0.00 3.38 -1.15 -1.80 115.31 114.27 3gm6 h LEU 412 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3gm6 h LEU 412 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3gm6 h LEU 412 CO 0.00 0.00 -0.08 0.78 0.09 0.00 0.00 178.44 179.23 3gm6 h ASN 413 N 0.00 0.22 0.15 -0.43 2.35 -1.73 -2.99 115.58 113.15 3gm6 h ASN 413 Ca 0.00 -0.04 -0.33 0.00 -0.55 0.00 0.00 56.30 55.38 3gm6 h ASN 413 Cb 0.84 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.16 3gm6 h ASN 413 CO 0.00 0.34 -1.70 0.00 -1.65 0.00 0.00 177.43 174.42 3gm6 n HIS 415 N -3.68 2.56 0.27 0.00 8.25 -0.72 -4.82 115.22 117.08 3gm6 n HIS 415 Ca -0.26 -2.67 0.14 0.00 -0.26 0.00 0.00 57.72 54.67 3gm6 n HIS 415 Cb 1.01 -1.18 0.70 0.00 1.12 0.00 0.00 29.99 31.65 3gm6 n HIS 415 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gm6 h ALA 416 N 4.78 1.00 0.00 -1.41 0.00 -1.78 -1.88 119.26 119.98 3gm6 h ALA 416 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3gm6 h ALA 416 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3gm6 h ALA 416 CO 1.24 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 179.64 3gm6 n GLU 417 N -2.52 0.16 -4.70 0.00 0.00 -1.26 -4.85 120.64 107.48 3gm6 n GLU 417 Ca -0.01 0.10 -0.30 0.00 0.00 0.00 0.00 57.16 56.95 3gm6 n GLU 417 Cb 0.12 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 29.93 3gm6 n GLU 417 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3gm6 s TRP 418 N -2.78 2.44 0.76 -1.84 0.51 -0.71 -5.12 118.94 112.20 3gm6 s TRP 418 Ca 0.16 -0.33 -0.12 0.00 -2.12 0.00 0.00 56.10 53.69 3gm6 s TRP 418 Cb 0.15 -1.40 0.05 0.00 -0.81 0.00 0.00 33.47 31.46 3gm6 s TRP 418 CO 0.37 0.22 1.13 0.95 -0.51 0.00 0.00 176.95 179.12 3gm6 s THR 419 N -0.91 2.79 0.19 2.01 -4.23 -1.26 -4.92 115.64 109.30 3gm6 s THR 419 Ca 0.14 0.26 -0.11 0.00 -1.18 0.00 0.00 61.69 60.79 3gm6 s THR 419 Cb -0.10 -3.22 0.11 0.00 1.34 0.00 0.00 72.50 70.62 3gm6 s THR 419 CO 0.04 -0.33 1.79 -0.08 -0.54 0.00 0.00 174.62 175.50 3gm6 h GLU 420 N -0.89 0.55 -0.83 3.99 4.81 -1.98 -1.92 114.58 118.32 3gm6 h GLU 420 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3gm6 h GLU 420 Cb 1.29 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 3gm6 h GLU 420 CO 0.64 0.37 0.54 -0.44 -0.73 0.00 0.00 179.01 179.39 3gm6 h ASP 421 N 0.57 0.97 -0.32 1.04 3.32 -1.99 -1.45 116.42 118.56 3gm6 h ASP 421 Ca 0.26 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 3gm6 h ASP 421 Cb 0.16 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3gm6 h ASP 421 CO -0.17 0.71 -0.03 1.56 -1.72 0.00 0.00 179.24 179.60 3gm6 h GLN 422 N 1.14 0.58 -0.47 3.56 4.20 -1.78 -1.67 115.11 120.67 3gm6 h GLN 422 Ca 0.30 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3gm6 h GLN 422 Cb -0.11 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3gm6 h GLN 422 CO -0.06 0.73 0.29 0.00 -0.67 0.00 0.00 178.83 179.12 3gm6 h ALA 423 N 0.83 0.60 -0.80 3.87 0.00 -0.98 -1.82 119.26 120.96 3gm6 h ALA 423 Ca 0.09 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3gm6 h ALA 423 Cb 0.49 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3gm6 h ALA 423 CO 0.02 0.08 0.53 -0.07 0.00 0.00 0.00 179.25 179.81 3gm6 h LEU 424 N 0.63 0.89 -0.85 0.00 3.38 -1.18 -2.29 115.31 115.89 3gm6 h LEU 424 Ca 0.17 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3gm6 h LEU 424 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3gm6 h LEU 424 CO -0.03 0.63 -0.07 0.22 0.09 0.00 0.00 178.44 179.28 3gm6 h TYR 425 N 1.04 0.85 -0.52 1.13 3.20 -0.90 -0.68 116.97 121.09 3gm6 h TYR 425 Ca 0.30 -0.14 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 3gm6 h TYR 425 Cb -0.06 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 3gm6 h TYR 425 CO -0.00 0.82 -0.15 0.00 -1.64 0.00 0.00 178.16 177.19 3gm6 h ALA 426 N 1.20 0.74 -0.12 1.82 0.00 -0.92 -1.14 119.26 120.83 3gm6 h ALA 426 Ca 0.13 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3gm6 h ALA 426 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3gm6 h ALA 426 CO 0.03 0.67 0.07 0.82 0.00 0.00 0.00 179.25 180.85 3gm6 h ILE 427 N 0.89 1.08 -0.09 0.00 2.04 -1.17 -3.11 117.51 117.16 3gm6 h ILE 427 Ca 0.13 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 3gm6 h ILE 427 Cb 0.73 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3gm6 h ILE 427 CO 0.06 0.08 -0.31 0.44 0.00 0.00 0.00 178.15 178.42 3gm6 h ASP 428 N 0.11 0.16 -0.21 1.72 3.32 -0.88 -1.63 116.42 119.01 3gm6 h ASP 428 Ca 0.04 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.07 3gm6 h ASP 428 Cb 0.06 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3gm6 h ASP 428 CO -0.01 0.47 0.05 0.22 -1.72 0.00 0.00 179.24 178.25 3gm6 h TYR 429 N 0.14 0.09 -0.11 4.55 5.03 -1.16 -0.10 116.97 125.41 3gm6 h TYR 429 Ca 0.02 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 3gm6 h TYR 429 Cb 0.62 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.89 3gm6 h TYR 429 CO 0.01 0.03 0.04 0.82 -1.32 0.00 0.00 178.16 177.73 3gm6 h ILE 430 N 0.14 1.17 -0.42 1.81 2.04 -1.39 -2.14 117.51 118.71 3gm6 h ILE 430 Ca 0.10 -0.51 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 3gm6 h ILE 430 Cb 0.09 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3gm6 h ILE 430 CO -0.12 0.15 -0.01 0.11 0.00 0.00 0.00 178.15 178.28 3gm6 h LYS 431 N -0.01 0.75 -0.27 2.37 1.57 -1.21 -0.64 116.57 119.14 3gm6 h LYS 431 Ca 0.03 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3gm6 h LYS 431 Cb 0.20 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3gm6 h LYS 431 CO -0.00 0.83 0.17 -0.91 -0.57 0.00 0.00 179.45 178.97 3gm6 h ASN 432 N 0.59 0.31 -0.16 0.86 2.35 -1.04 -0.37 115.58 118.12 3gm6 h ASN 432 Ca 0.12 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3gm6 h ASN 432 Cb 0.50 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3gm6 h ASN 432 CO 0.02 0.25 0.06 0.22 -1.65 0.00 0.00 177.43 176.33 3gm6 h TYR 433 N 0.34 0.25 -0.20 1.19 3.20 -1.23 -1.91 116.97 118.62 3gm6 h TYR 433 Ca 0.10 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3gm6 h TYR 433 Cb -0.01 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3gm6 h TYR 433 CO -0.05 0.34 0.12 1.15 -1.64 0.00 0.00 178.16 178.08 3gm6 h THR 434 N 0.09 1.07 -0.69 1.81 2.02 -1.06 -2.67 112.91 113.48 3gm6 h THR 434 Ca 0.05 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.12 3gm6 h THR 434 Cb 0.20 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 3gm6 h THR 434 CO -0.00 0.07 0.41 -0.74 0.37 0.00 0.00 175.52 175.62 3gm6 h HIS 435 N 0.25 0.76 -0.75 3.16 -0.00 -0.98 -0.43 115.15 117.15 3gm6 h HIS 435 Ca 0.07 0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.58 3gm6 h HIS 435 Cb 0.00 -0.24 -0.08 0.00 -0.00 0.00 0.00 27.41 27.09 3gm6 h HIS 435 CO -0.06 0.39 0.37 0.78 -0.00 0.00 0.00 177.93 179.42 3gm6 h GLY 436 N 0.77 1.16 2.00 5.26 0.00 -1.05 -0.59 103.07 110.61 3gm6 h GLY 436 Ca 0.30 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 3gm6 h GLY 436 CO -0.15 0.02 -0.53 0.50 0.00 0.00 0.00 176.54 176.38 3gm6 h LYS 437 N 0.59 0.00 -0.02 4.80 1.79 -1.04 -1.56 116.57 121.13 3gm6 h LYS 437 Ca 0.39 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.85 3gm6 h LYS 437 Cb 0.47 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3gm6 h LYS 437 CO -0.31 0.53 0.01 0.82 -1.08 0.00 0.00 179.45 179.42 3gm6 h ILE 438 N 0.00 1.17 -0.56 1.86 2.04 -0.32 -1.25 117.51 120.44 3gm6 h ILE 438 Ca -0.01 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3gm6 h ILE 438 Cb 1.05 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 3gm6 h ILE 438 CO 0.07 0.13 0.36 0.58 0.00 0.00 0.00 178.15 179.29 3gm6 h VAL 439 N -0.16 1.16 -0.69 1.67 2.07 -0.96 -0.85 116.25 118.48 3gm6 h VAL 439 Ca 0.01 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 3gm6 h VAL 439 Cb 0.21 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3gm6 h VAL 439 CO -0.00 0.16 0.19 0.11 0.02 0.00 0.00 177.57 178.05 3gm6 h LYS 440 N 0.76 1.09 -0.87 1.57 1.57 -1.29 -0.98 116.57 118.42 3gm6 h LYS 440 Ca 0.20 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3gm6 h LYS 440 Cb -0.05 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.06 3gm6 h LYS 440 CO -0.04 0.94 0.57 0.77 -0.57 0.00 0.00 179.45 181.12 3gm6 h SER 441 N 1.04 0.96 -0.43 0.86 0.02 -0.74 -2.23 113.55 113.03 3gm6 h SER 441 Ca 0.22 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 3gm6 h SER 441 Cb 0.33 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3gm6 h SER 441 CO -0.00 0.68 -0.16 -0.33 -1.14 0.00 0.00 176.83 175.88 3gm6 h GLU 442 N 1.13 0.86 -0.41 3.45 5.08 -0.77 -0.93 114.58 123.00 3gm6 h GLU 442 Ca 0.33 -0.36 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3gm6 h GLU 442 Cb -0.07 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 3gm6 h GLU 442 CO -0.09 1.00 0.03 -0.92 -1.00 0.00 0.00 179.01 178.03 3gm6 h TYR 443 N 0.69 0.04 -0.28 4.33 3.20 -0.80 -0.13 116.97 124.02 3gm6 h TYR 443 Ca 0.10 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.82 3gm6 h TYR 443 Cb 0.71 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.03 3gm6 h TYR 443 CO 0.05 -0.05 -0.51 -1.49 -1.64 0.00 0.00 178.16 174.52 3gm6 h TRP 444 N 0.15 1.05 -0.38 -3.82 4.06 -1.33 -0.96 115.95 114.73 3gm6 h TRP 444 Ca 0.20 -0.37 0.04 0.00 2.06 0.00 0.00 58.89 60.82 3gm6 h TRP 444 Cb 0.27 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.20 3gm6 h TRP 444 CO -0.25 1.20 0.15 -0.07 -3.56 0.00 0.00 178.44 175.91 3gm6 h LEU 445 N 0.61 0.19 -0.81 -4.49 3.38 -1.00 -1.71 115.31 111.49 3gm6 h LEU 445 Ca 0.01 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3gm6 h LEU 445 Cb 1.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 3gm6 h LEU 445 CO 0.12 0.15 0.39 0.00 0.09 0.00 0.00 178.44 179.19 3gm6 h ALA 446 N 1.23 1.04 -0.57 1.53 0.00 -0.89 -0.05 119.26 121.55 3gm6 h ALA 446 Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3gm6 h ALA 446 Cb 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3gm6 h ALA 446 CO -0.15 0.60 0.31 -0.22 0.00 0.00 0.00 179.25 179.80 3gm6 h LYS 447 N 1.15 0.79 0.10 0.00 3.64 -0.93 -1.26 116.57 120.05 3gm6 h LYS 447 Ca 0.28 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3gm6 h LYS 447 Cb 0.11 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3gm6 h LYS 447 CO -0.04 0.60 -0.05 1.98 -2.27 0.00 0.00 179.45 179.68 3gm6 h MET 448 N 0.77 -0.12 -0.67 1.90 4.05 -1.00 -3.04 114.93 116.80 3gm6 h MET 448 Ca 0.20 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.72 3gm6 h MET 448 Cb 0.04 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 30.80 3gm6 h MET 448 CO -0.03 0.06 0.32 0.82 0.23 0.00 0.00 176.91 178.30 3gm6 h ILE 449 N -0.29 0.84 0.00 1.77 2.04 -0.85 -1.17 117.51 119.85 3gm6 h ILE 449 Ca -0.01 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3gm6 h ILE 449 Cb 0.24 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3gm6 h ILE 449 CO 0.02 0.10 -0.04 0.44 0.00 0.00 0.00 178.15 178.67 3gm6 h ASP 450 N 0.55 0.00 1.53 1.72 3.32 -1.17 -2.26 116.42 120.11 3gm6 h ASP 450 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3gm6 h ASP 450 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3gm6 h ASP 450 CO -0.27 0.04 0.00 -0.07 -1.72 0.00 0.00 179.24 177.22 3gm6 h LEU 451 N 0.00 0.00 -0.02 1.55 3.38 -1.10 -3.37 115.31 115.75 3gm6 h LEU 451 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gm6 h LEU 451 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3gm6 h LEU 451 CO 0.00 0.00 0.00 -0.26 0.09 0.00 0.00 178.44 178.28 3gm6 h PHE 452 N 0.00 0.04 -0.90 1.13 -1.00 -1.39 -0.26 116.94 114.55 3gm6 h PHE 452 Ca 0.00 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.80 3gm6 h PHE 452 Cb 0.77 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.27 3gm6 h PHE 452 CO 0.00 0.27 0.60 -1.35 -1.61 0.00 0.00 178.31 176.22 3gm6 h PRO 453 N -0.20 1.15 -0.51 1.51 0.11 -1.75 -0.66 132.00 131.65 3gm6 h PRO 453 Ca 0.01 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3gm6 h PRO 453 Cb 0.25 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 3gm6 h PRO 453 CO 0.00 0.76 0.27 0.28 -0.21 0.00 0.00 178.00 179.10 3gm6 h VAL 454 N 1.18 1.18 -0.26 3.15 2.07 -1.67 -1.55 116.25 120.35 3gm6 h VAL 454 Ca 0.34 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3gm6 h VAL 454 Cb -0.07 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3gm6 h VAL 454 CO -0.09 0.19 0.03 0.00 0.02 0.00 0.00 177.57 177.73 3gm6 h ALA 455 N 1.11 0.35 -0.34 1.67 0.00 -0.66 -1.08 119.26 120.31 3gm6 h ALA 455 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gm6 h ALA 455 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3gm6 h ALA 455 CO -0.03 0.04 0.22 0.87 0.00 0.00 0.00 179.25 180.36 3gm6 h LYS 456 N 0.24 0.46 0.00 0.00 6.56 -1.05 -1.25 116.57 121.53 3gm6 h LYS 456 Ca 0.08 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.62 3gm6 h LYS 456 Cb 0.35 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 31.91 3gm6 h LYS 456 CO 0.01 0.32 -0.10 0.00 -2.06 0.00 0.00 179.45 177.62 3gm6 h ARG 457 N 0.46 0.00 -0.00 3.15 3.08 -1.18 -2.02 114.38 117.86 3gm6 h ARG 457 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3gm6 h ARG 457 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3gm6 h ARG 457 CO -0.03 0.10 -0.18 0.00 -1.07 0.00 0.00 179.97 178.79 3gm6 n ALA 458 N -2.16 2.81 -1.00 0.04 0.00 -0.42 -4.94 120.51 114.83 3gm6 n ALA 458 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3gm6 n ALA 458 Cb 0.33 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3gm6 n ALA 458 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gm6 n GLY 459 N 1.45 0.64 3.75 0.00 0.00 -0.76 -4.84 105.19 105.42 3gm6 n GLY 459 Ca 0.08 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 3gm6 n GLY 459 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gm6 s VAL 460 N -2.00 2.01 0.59 1.61 1.01 -0.55 -4.96 120.40 118.12 3gm6 s VAL 460 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 3gm6 s VAL 460 Cb 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3gm6 s VAL 460 CO 0.00 -0.00 1.07 -0.94 0.00 0.00 0.00 175.10 175.23 3gm6 s SER 461 N -0.94 5.72 0.47 3.32 1.04 -1.26 -4.82 113.70 117.22 3gm6 s SER 461 Ca 0.72 1.88 0.12 0.00 0.48 0.00 0.00 55.95 59.15 3gm6 s SER 461 Cb -0.41 -2.54 1.07 0.00 0.10 0.00 0.00 66.02 64.24 3gm6 s SER 461 CO 0.48 -1.21 2.10 -0.33 0.98 0.00 0.00 173.24 175.26 3gm6 h GLU 462 N 0.52 0.24 -0.61 4.02 4.39 -1.99 -1.46 114.58 119.69 3gm6 h GLU 462 Ca -0.47 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 3gm6 h GLU 462 Cb 1.23 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 3gm6 h GLU 462 CO 0.57 0.17 0.31 -0.44 -1.16 0.00 0.00 179.01 178.47 3gm6 h ASP 463 N 0.25 0.78 -0.27 1.42 3.32 -1.99 0.14 116.42 120.07 3gm6 h ASP 463 Ca 0.07 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 3gm6 h ASP 463 Cb -0.01 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3gm6 h ASP 463 CO -0.01 0.67 -0.19 0.58 -1.72 0.00 0.00 179.24 178.57 3gm6 h VAL 464 N 0.83 1.30 -0.89 -1.35 2.07 -1.78 -1.77 116.25 114.67 3gm6 h VAL 464 Ca 0.21 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 3gm6 h VAL 464 Cb 0.08 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3gm6 h VAL 464 CO -0.03 0.41 0.54 -0.07 0.02 0.00 0.00 177.57 178.44 3gm6 h LEU 465 N 0.33 1.07 -0.64 2.57 3.38 -1.11 -1.36 115.31 119.55 3gm6 h LEU 465 Ca 0.05 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3gm6 h LEU 465 Cb 0.72 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3gm6 h LEU 465 CO 0.05 0.83 -0.08 0.78 0.09 0.00 0.00 178.44 180.11 3gm6 h ASN 466 N 1.23 0.98 -0.57 -0.43 -0.26 -0.60 0.19 115.58 116.11 3gm6 h ASN 466 Ca 0.32 -0.30 0.06 0.00 -0.56 0.00 0.00 56.30 55.82 3gm6 h ASN 466 Cb -0.05 -0.26 -0.05 0.00 -1.06 0.00 0.00 38.32 36.89 3gm6 h ASN 466 CO -0.06 1.07 0.28 1.56 -1.06 0.00 0.00 177.43 179.23 3gm6 h GLN 467 N 0.88 0.51 -0.66 0.81 4.20 -0.84 -0.96 115.11 119.05 3gm6 h GLN 467 Ca 0.14 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 3gm6 h GLN 467 Cb 0.63 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 3gm6 h GLN 467 CO 0.04 0.34 0.14 0.00 -0.67 0.00 0.00 178.83 178.68 3gm6 h ALA 468 N 1.33 0.99 -0.55 3.87 0.00 -0.83 -2.51 119.26 121.56 3gm6 h ALA 468 Ca 0.26 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3gm6 h ALA 468 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3gm6 h ALA 468 CO -0.20 0.65 0.10 0.00 0.00 0.00 0.00 179.25 179.79 3gm6 h ARG 469 N 1.01 0.86 -0.73 0.00 3.08 -0.16 -0.73 114.38 117.71 3gm6 h ARG 469 Ca 0.21 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3gm6 h ARG 469 Cb 0.39 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3gm6 h ARG 469 CO 0.01 0.80 0.29 0.93 -1.07 0.00 0.00 179.97 180.93 3gm6 h GLU 470 N 0.82 1.08 -0.24 0.04 5.08 -0.97 -2.51 114.58 117.87 3gm6 h GLU 470 Ca 0.17 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 3gm6 h GLU 470 Cb 0.35 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3gm6 h GLU 470 CO 0.01 0.87 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.53 3gm6 h LEU 471 N 1.06 0.48 -0.66 1.33 3.38 -1.00 -3.13 115.31 116.78 3gm6 h LEU 471 Ca 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3gm6 h LEU 471 Cb 0.20 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3gm6 h LEU 471 CO -0.02 0.76 0.36 -0.74 0.09 0.00 0.00 178.44 178.89 3gm6 h HIS 472 N 0.41 0.90 -0.40 1.13 2.76 -0.73 -0.55 115.15 118.68 3gm6 h HIS 472 Ca 0.06 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.28 3gm6 h HIS 472 Cb 0.72 -0.29 -0.09 0.00 1.55 0.00 0.00 27.41 29.30 3gm6 h HIS 472 CO 0.02 0.64 -0.31 -0.92 -1.30 0.00 0.00 177.93 176.07 3gm6 h TYR 473 N 0.90 -0.85 -0.22 5.26 5.03 -1.41 0.58 116.97 126.25 3gm6 h TYR 473 Ca 0.23 0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.55 3gm6 h TYR 473 Cb 0.04 0.43 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 3gm6 h TYR 473 CO -0.01 -0.37 -0.05 -0.44 -1.32 0.00 0.00 178.16 175.97 3gm6 h ASP 474 N -0.24 0.44 -0.88 -2.11 3.32 -1.58 -0.90 116.42 114.47 3gm6 h ASP 474 Ca 0.18 -0.37 0.09 0.00 0.02 0.00 0.00 57.03 56.95 3gm6 h ASP 474 Cb 0.53 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.89 3gm6 h ASP 474 CO -0.53 0.70 0.53 0.00 -1.72 0.00 0.00 179.24 178.22 3gm6 h ALA 475 N 0.75 1.26 0.40 3.45 0.00 -0.87 -1.81 119.26 122.44 3gm6 h ALA 475 Ca 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3gm6 h ALA 475 Cb 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gm6 h ALA 475 CO 0.02 0.19 -0.19 1.25 0.00 0.00 0.00 179.25 180.52 3gm6 h HIS 476 N 0.90 -0.50 -0.58 0.00 -0.00 -0.76 -3.07 115.15 111.15 3gm6 h HIS 476 Ca 0.42 -0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.89 3gm6 h HIS 476 Cb 0.33 0.17 -0.11 0.00 -0.00 0.00 0.00 27.41 27.79 3gm6 h HIS 476 CO -0.04 -0.17 -0.18 1.25 -0.00 0.00 0.00 177.93 178.78 3gm6 h LEU 477 N -0.91 -0.67 -0.14 0.26 5.85 -0.97 0.14 115.31 118.87 3gm6 h LEU 477 Ca -0.06 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3gm6 h LEU 477 Cb 0.55 0.41 0.00 0.00 0.37 0.00 0.00 40.66 41.99 3gm6 h LEU 477 CO 0.09 -0.22 0.00 -1.22 -0.34 0.00 0.00 178.44 176.75 3gm6 n TYR 478 N -5.42 0.49 -0.09 1.25 4.01 -0.70 -2.70 117.16 114.01 3gm6 n TYR 478 Ca 0.06 0.16 -0.12 0.00 -0.16 0.00 0.00 57.90 57.84 3gm6 n TYR 478 Cb 0.32 -0.76 -0.06 0.00 -0.31 0.00 0.00 39.34 38.54 3gm6 n TYR 478 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 3gm6 n TRP 479 N -1.91 0.86 0.20 -0.72 -0.00 -0.90 -3.61 117.44 111.36 3gm6 n TRP 479 Ca 0.05 0.37 0.06 0.00 -0.00 0.00 0.00 57.50 57.98 3gm6 n TRP 479 Cb 0.32 -0.88 0.41 0.00 -0.00 0.00 0.00 31.31 31.16 3gm6 n TRP 479 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 3gm6 h GLU 480 N -1.00 0.00 -0.98 5.87 4.81 -0.70 -1.62 114.58 120.96 3gm6 h GLU 480 Ca -0.16 0.00 0.30 0.00 -0.13 0.00 0.00 59.36 59.37 3gm6 h GLU 480 Cb 0.87 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.11 3gm6 h GLU 480 CO -0.10 0.34 0.52 2.35 -0.73 0.00 0.00 179.01 181.39 3gm6 h TRP 481 N 0.00 0.85 0.00 0.92 2.91 -1.73 0.37 115.95 119.27 3gm6 h TRP 481 Ca -0.00 0.04 -0.24 0.00 1.13 0.00 0.00 58.89 59.82 3gm6 h TRP 481 Cb 0.74 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 29.14 3gm6 h TRP 481 CO 0.00 -0.15 -1.44 -1.49 -1.03 0.00 0.00 178.44 174.33 3gm6 h TRP 482 N 0.34 0.00 -0.07 2.65 4.06 -1.59 -0.81 115.95 120.53 3gm6 h TRP 482 Ca 0.70 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 61.46 3gm6 h TRP 482 Cb 1.53 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.69 3gm6 h TRP 482 CO -0.05 0.88 -0.74 1.79 -3.56 0.00 0.00 178.44 176.76 3gm6 h THR 483 N 0.00 1.38 -0.42 1.49 1.35 -1.58 -3.28 112.91 111.85 3gm6 h THR 483 Ca -0.19 -2.16 -0.12 0.00 -0.55 0.00 0.00 66.41 63.40 3gm6 h THR 483 Cb 1.84 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 70.37 3gm6 h THR 483 CO 0.08 0.65 -0.21 0.00 -0.25 0.00 0.00 175.52 175.79 3gm6 h ALA 484 N 0.93 0.84 -2.62 6.62 0.00 -0.87 -3.45 119.26 120.72 3gm6 h ALA 484 Ca -0.03 -0.37 -0.51 0.00 0.00 0.00 0.00 54.91 54.00 3gm6 h ALA 484 Cb 1.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3gm6 h ALA 484 CO 0.13 0.64 0.36 -2.00 0.00 0.00 0.00 179.25 178.38 3gm6 s GLU 485 N -4.65 4.74 0.00 0.00 -6.30 -0.32 -2.91 118.70 109.26 3gm6 s GLU 485 Ca -0.10 1.48 0.29 0.00 -2.50 0.00 0.00 54.97 54.13 3gm6 s GLU 485 Cb 0.13 -3.35 1.20 0.00 0.00 0.00 0.00 34.13 32.11 3gm6 s GLU 485 CO 0.84 0.29 1.84 0.09 0.02 0.00 0.00 175.26 178.34 3gm6 n ASN 486 N 2.42 0.49 -0.42 -1.70 3.02 -1.26 -4.07 115.26 113.73 3gm6 n ASN 486 Ca 0.01 -0.57 0.13 0.00 -0.03 0.00 0.00 54.58 54.11 3gm6 n ASN 486 Cb 0.48 -0.07 0.27 0.00 -0.61 0.00 0.00 39.78 39.86 3gm6 n ASN 486 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3gm6 n SER 487 N -0.95 1.57 -3.96 6.41 3.41 -1.26 -4.96 113.62 113.87 3gm6 n SER 487 Ca 0.14 -1.27 -0.28 0.00 -0.26 0.00 0.00 58.87 57.21 3gm6 n SER 487 Cb 0.28 0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 3gm6 n SER 487 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3gm6 n VAL 488 N -0.15 -2.71 0.00 -3.33 0.31 -1.26 -2.03 118.33 109.16 3gm6 n VAL 488 Ca 0.13 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3gm6 n VAL 488 Cb 0.41 -2.66 0.00 0.00 -0.91 0.00 0.00 33.84 30.68 3gm6 n VAL 488 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gm6 n GLY 489 N -1.76 3.34 0.35 2.92 0.00 -1.26 -3.99 105.19 104.79 3gm6 n GLY 489 Ca -0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.86 3gm6 n GLY 489 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gm6 h PHE 490 N 0.00 0.96 0.00 1.61 3.57 -1.74 -1.15 116.94 120.19 3gm6 h PHE 490 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3gm6 h PHE 490 Cb 0.00 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.42 3gm6 h PHE 490 CO 0.00 0.57 -0.13 0.45 -2.23 0.00 0.00 178.31 176.97 3gm6 h HIS 491 N 1.00 0.00 -0.33 0.41 3.86 -1.92 -3.38 115.15 114.79 3gm6 h HIS 491 Ca 0.31 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.36 3gm6 h HIS 491 Cb -0.00 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.32 3gm6 h HIS 491 CO -0.00 0.13 -0.39 -1.71 0.86 0.00 0.00 177.93 176.81 3gm6 n ASN 492 N -3.45 -2.72 -0.12 2.45 2.85 -0.63 -4.56 115.26 109.07 3gm6 n ASN 492 Ca -0.01 -2.74 -0.03 0.00 -0.11 0.00 0.00 54.58 51.69 3gm6 n ASN 492 Cb 0.29 1.55 0.19 0.00 1.24 0.00 0.00 39.78 43.05 3gm6 n ASN 492 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3gm6 h PRO 493 N 4.22 0.82 -0.41 1.20 0.13 -1.45 -1.94 132.00 134.57 3gm6 h PRO 493 Ca -0.08 -0.18 -0.13 0.00 -0.87 0.00 0.00 66.00 64.75 3gm6 h PRO 493 Cb 1.09 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 3gm6 h PRO 493 CO 0.11 0.75 -0.25 -0.44 -0.23 0.00 0.00 178.00 177.95 3gm6 h ASP 494 N 0.78 0.87 -0.21 1.44 3.32 -1.97 -1.94 116.42 118.72 3gm6 h ASP 494 Ca 0.17 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 3gm6 h ASP 494 Cb 0.32 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3gm6 h ASP 494 CO 0.00 1.08 0.05 -0.61 -1.72 0.00 0.00 179.24 178.04 3gm6 h GLN 495 N 0.73 0.33 -0.45 3.56 4.15 -1.87 -1.53 115.11 120.04 3gm6 h GLN 495 Ca 0.09 -0.08 0.07 0.00 0.77 0.00 0.00 58.65 59.50 3gm6 h GLN 495 Cb 0.79 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.38 3gm6 h GLN 495 CO 0.07 0.46 0.11 0.00 -1.93 0.00 0.00 178.83 177.54 3gm6 h ALA 496 N 0.86 0.51 -0.02 3.38 0.00 -1.32 -0.70 119.26 121.96 3gm6 h ALA 496 Ca 0.06 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3gm6 h ALA 496 Cb 0.28 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3gm6 h ALA 496 CO 0.00 -0.29 -0.08 -0.09 0.00 0.00 0.00 179.25 178.80 3gm6 h ARG 497 N 0.26 -0.12 -0.89 0.00 2.43 -1.16 -0.59 114.38 114.32 3gm6 h ARG 497 Ca 0.22 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3gm6 h ARG 497 Cb 0.26 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3gm6 h ARG 497 CO -0.26 -0.08 0.51 1.49 -1.51 0.00 0.00 179.97 180.11 3gm6 h GLU 498 N -0.12 1.22 -0.04 0.20 4.81 -1.03 -1.93 114.58 117.69 3gm6 h GLU 498 Ca 0.04 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3gm6 h GLU 498 Cb 0.18 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 3gm6 h GLU 498 CO -0.10 0.88 -0.00 1.03 -0.73 0.00 0.00 179.01 180.09 3gm6 h SER 499 N 1.23 0.07 -0.64 1.04 0.87 -0.85 -1.92 113.55 113.35 3gm6 h SER 499 Ca 0.31 -0.32 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 3gm6 h SER 499 Cb -0.01 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3gm6 h SER 499 CO -0.05 0.37 0.06 -0.07 -0.53 0.00 0.00 176.83 176.60 3gm6 h LEU 500 N -0.23 1.06 -1.31 2.23 3.38 -1.05 -0.67 115.31 118.73 3gm6 h LEU 500 Ca 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3gm6 h LEU 500 Cb 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3gm6 h LEU 500 CO 0.00 1.08 0.18 0.24 0.09 0.00 0.00 178.44 180.03 3gm6 h MET 501 N 1.01 0.66 -0.58 1.13 2.86 -1.33 -2.13 114.93 116.54 3gm6 h MET 501 Ca 0.19 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3gm6 h MET 501 Cb 0.50 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 3gm6 h MET 501 CO 0.02 0.55 0.15 1.15 1.06 0.00 0.00 176.91 179.84 3gm6 h THR 502 N 0.65 1.25 0.05 2.22 2.02 -0.58 -1.50 112.91 117.02 3gm6 h THR 502 Ca 0.16 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.48 3gm6 h THR 502 Cb 0.13 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3gm6 h THR 502 CO -0.02 0.32 -0.12 -1.28 0.37 0.00 0.00 175.52 174.80 3gm6 h SER 503 N 0.83 -0.34 -0.75 4.18 0.87 -0.72 -0.84 113.55 116.77 3gm6 h SER 503 Ca 0.18 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 3gm6 h SER 503 Cb 0.33 0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.38 3gm6 h SER 503 CO -0.00 -0.18 0.47 0.40 -0.53 0.00 0.00 176.83 176.99 3gm6 h ILE 504 N -0.23 1.08 -0.47 2.23 2.04 -1.37 -0.59 117.51 120.20 3gm6 h ILE 504 Ca 0.03 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.62 3gm6 h ILE 504 Cb 0.26 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 3gm6 h ILE 504 CO -0.09 0.16 0.25 0.28 0.00 0.00 0.00 178.15 178.75 3gm6 h SER 505 N 0.89 0.37 -0.25 1.72 0.02 -0.90 -0.58 113.55 114.82 3gm6 h SER 505 Ca 0.31 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 3gm6 h SER 505 Cb 0.06 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3gm6 h SER 505 CO -0.13 0.26 0.03 0.11 -1.14 0.00 0.00 176.83 175.96 3gm6 h LYS 506 N 0.49 0.42 -0.85 3.45 1.79 -0.53 -1.86 116.57 119.48 3gm6 h LYS 506 Ca 0.20 -0.12 0.02 0.00 -2.18 0.00 0.00 60.65 58.57 3gm6 h LYS 506 Cb 0.09 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.65 3gm6 h LYS 506 CO -0.13 0.56 0.56 0.77 -1.08 0.00 0.00 179.45 180.13 3gm6 h SER 507 N 0.22 0.95 -0.71 0.86 0.02 -0.94 -1.99 113.55 111.96 3gm6 h SER 507 Ca 0.07 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3gm6 h SER 507 Cb 0.36 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 3gm6 h SER 507 CO 0.01 0.68 0.28 0.11 -1.14 0.00 0.00 176.83 176.76 3gm6 h LYS 508 N 1.12 1.07 -0.46 3.45 1.57 -0.95 0.15 116.57 122.52 3gm6 h LYS 508 Ca 0.32 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3gm6 h LYS 508 Cb -0.08 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 3gm6 h LYS 508 CO -0.08 0.89 0.22 1.49 -0.57 0.00 0.00 179.45 181.39 3gm6 h GLU 509 N 1.03 0.67 -0.82 3.15 4.81 -0.97 -1.74 114.58 120.71 3gm6 h GLU 509 Ca 0.24 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3gm6 h GLU 509 Cb 0.22 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3gm6 h GLU 509 CO -0.02 0.58 0.37 0.00 -0.73 0.00 0.00 179.01 179.21 3gm6 h ALA 510 N 1.06 1.09 -0.59 2.92 0.00 -1.07 -1.95 119.26 120.73 3gm6 h ALA 510 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3gm6 h ALA 510 Cb 0.13 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3gm6 h ALA 510 CO -0.02 0.66 0.21 0.28 0.00 0.00 0.00 179.25 180.39 3gm6 h VAL 511 N 1.18 1.23 -0.19 0.00 2.07 -0.62 -1.19 116.25 118.73 3gm6 h VAL 511 Ca 0.28 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3gm6 h VAL 511 Cb 0.16 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3gm6 h VAL 511 CO -0.03 0.29 0.04 -1.28 0.02 0.00 0.00 177.57 176.61 3gm6 h SER 512 N 0.82 0.29 -0.18 0.57 0.87 -1.18 -0.26 113.55 114.50 3gm6 h SER 512 Ca 0.19 -0.24 0.05 0.00 -1.23 0.00 0.00 61.79 60.56 3gm6 h SER 512 Cb 0.24 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.06 3gm6 h SER 512 CO -0.01 0.46 -0.24 0.25 -0.53 0.00 0.00 176.83 176.76 3gm6 h LEU 513 N 0.11 -0.75 -0.31 2.23 5.85 -1.27 -1.28 115.31 119.89 3gm6 h LEU 513 Ca 0.06 0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 3gm6 h LEU 513 Cb 0.29 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3gm6 h LEU 513 CO 0.00 -0.28 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.57 3gm6 h LEU 514 N -0.28 0.69 -0.55 2.25 3.38 -1.13 -2.00 115.31 117.67 3gm6 h LEU 514 Ca 0.12 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3gm6 h LEU 514 Cb 0.45 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3gm6 h LEU 514 CO -0.34 0.96 0.36 0.78 0.09 0.00 0.00 178.44 180.29 3gm6 h ASN 515 N 0.43 0.64 -0.53 -0.43 2.35 -0.96 -0.16 115.58 116.92 3gm6 h ASN 515 Ca 0.07 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3gm6 h ASN 515 Cb 0.71 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 3gm6 h ASN 515 CO 0.05 0.47 0.32 0.44 -1.65 0.00 0.00 177.43 177.06 3gm6 h ASP 516 N 0.75 0.64 -0.38 5.81 3.32 -1.21 -1.03 116.42 124.33 3gm6 h ASP 516 Ca 0.20 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 3gm6 h ASP 516 Cb -0.07 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3gm6 h ASP 516 CO -0.04 0.52 0.12 0.00 -1.72 0.00 0.00 179.24 178.11 3gm6 h ALA 517 N 1.15 0.50 -0.25 3.45 0.00 -0.96 -1.32 119.26 121.84 3gm6 h ALA 517 Ca 0.19 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gm6 h ALA 517 Cb -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3gm6 h ALA 517 CO -0.04 0.14 0.14 0.82 0.00 0.00 0.00 179.25 180.32 3gm6 h ILE 518 N 0.46 1.02 -0.98 0.00 2.04 -0.94 -2.26 117.51 116.85 3gm6 h ILE 518 Ca 0.12 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.94 3gm6 h ILE 518 Cb 0.26 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 3gm6 h ILE 518 CO -0.00 0.05 0.63 0.44 0.00 0.00 0.00 178.15 179.27 3gm6 h ASP 519 N 0.29 1.02 -0.71 1.72 3.32 -1.01 -1.23 116.42 119.82 3gm6 h ASP 519 Ca 0.10 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 3gm6 h ASP 519 Cb 0.01 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3gm6 h ASP 519 CO -0.05 0.67 0.20 0.00 -1.72 0.00 0.00 179.24 178.34 3gm6 h ALA 520 N 1.43 1.00 -0.38 3.45 0.00 -1.06 -0.59 119.26 123.11 3gm6 h ALA 520 Ca 0.41 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3gm6 h ALA 520 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3gm6 h ALA 520 CO -0.16 0.66 -0.29 1.96 0.00 0.00 0.00 179.25 181.42 3gm6 h GLN 521 N 1.08 0.82 -0.55 0.00 1.08 -0.83 -2.15 115.11 114.56 3gm6 h GLN 521 Ca 0.23 -0.37 -0.03 0.00 -1.45 0.00 0.00 58.65 57.03 3gm6 h GLN 521 Cb 0.33 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 3gm6 h GLN 521 CO -0.00 1.01 0.23 0.28 -0.95 0.00 0.00 178.83 179.39 3gm6 h VAL 522 N 0.70 1.22 0.00 -0.54 2.07 -1.07 -2.78 116.25 115.85 3gm6 h VAL 522 Ca 0.08 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 3gm6 h VAL 522 Cb 0.83 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3gm6 h VAL 522 CO 0.07 0.26 -0.15 0.00 0.02 0.00 0.00 177.57 177.77 3gm6 h ALA 523 N 1.07 1.32 -0.24 1.67 0.00 -0.89 -2.83 119.26 119.36 3gm6 h ALA 523 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gm6 h ALA 523 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gm6 h ALA 523 CO -0.02 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.29 3gm6 n SER 524 N -3.73 1.78 0.00 0.00 3.41 -0.83 -5.09 113.62 109.16 3gm6 n SER 524 Ca -0.02 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 3gm6 n SER 524 Cb 0.26 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3gm6 n SER 524 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42