#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g82 s THR 40 N 0.00 0.35 -0.28 0.00 2.01 -1.26 -2.80 115.64 113.66 3g82 s THR 40 Ca 0.00 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.01 3g82 s THR 40 Cb 0.00 -0.42 0.08 0.00 0.01 0.00 0.00 72.50 72.17 3g82 s THR 40 CO 0.00 0.19 0.00 -1.00 -0.69 0.00 0.00 174.62 173.12 3g82 s HIS 41 N 1.03 2.72 -0.24 4.92 3.76 -0.72 -5.02 115.29 121.73 3g82 s HIS 41 Ca -0.10 -2.15 -0.29 0.00 -0.15 0.00 0.00 55.06 52.37 3g82 s HIS 41 Cb -0.14 -2.01 -0.00 0.00 1.11 0.00 0.00 32.58 31.54 3g82 s HIS 41 CO -0.01 -0.85 1.20 1.03 -0.85 0.00 0.00 174.74 175.25 3g82 s ARG 42 N 1.28 4.13 -0.08 1.40 0.52 -1.26 -2.88 118.95 122.06 3g82 s ARG 42 Ca 0.02 1.40 0.00 0.00 -0.52 0.00 0.00 55.73 56.63 3g82 s ARG 42 Cb -0.19 -3.76 -0.03 0.00 0.52 0.00 0.00 34.95 31.49 3g82 s ARG 42 CO -0.10 -0.82 -0.05 -0.51 0.02 0.00 0.00 175.30 173.83 3g82 s LEU 43 N 3.68 3.26 -0.10 2.53 1.43 0.98 -0.94 118.68 129.51 3g82 s LEU 43 Ca 0.51 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 3g82 s LEU 43 Cb -0.18 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.33 3g82 s LEU 43 CO 0.15 0.35 -0.18 -0.22 0.23 0.00 0.00 176.35 176.69 3g82 s LEU 44 N -0.75 1.85 -0.25 1.79 2.96 -1.08 -1.23 118.68 121.96 3g82 s LEU 44 Ca 0.11 -0.45 -0.16 0.00 -0.22 0.00 0.00 54.13 53.41 3g82 s LEU 44 Cb -0.11 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 3g82 s LEU 44 CO 0.02 0.06 0.44 -0.76 -1.32 0.00 0.00 176.35 174.79 3g82 s LEU 45 N 0.72 4.07 0.16 -0.68 1.43 -0.99 0.54 118.68 123.93 3g82 s LEU 45 Ca -0.12 0.44 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 3g82 s LEU 45 Cb -0.16 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 3g82 s LEU 45 CO 0.02 -0.20 -0.15 -0.76 0.23 0.00 0.00 176.35 175.49 3g82 s LEU 46 N 1.97 2.45 0.00 1.79 1.43 0.17 -4.47 118.68 122.03 3g82 s LEU 46 Ca 0.19 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 3g82 s LEU 46 Cb -0.15 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.40 3g82 s LEU 46 CO 0.09 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.16 3g82 n GLY 47 N 0.23 2.97 1.44 -3.19 0.00 -1.26 0.72 105.19 106.10 3g82 n GLY 47 Ca -0.13 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 3g82 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g82 n ALA 48 N -1.52 -1.14 -1.94 4.61 0.00 -1.26 -4.54 120.51 114.72 3g82 n ALA 48 Ca 0.00 -0.66 -0.41 0.00 0.00 0.00 0.00 53.44 52.36 3g82 n ALA 48 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 3g82 n ALA 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3g82 s GLY 49 N -3.55 2.38 0.00 0.00 0.00 -1.14 -3.18 107.32 101.84 3g82 s GLY 49 Ca 0.29 1.22 0.00 0.00 0.00 0.00 0.00 44.72 46.23 3g82 s GLY 49 CO 0.21 2.18 0.00 1.18 0.00 0.00 0.00 173.10 176.68 3g82 n GLU 50 N 2.48 -0.34 -0.25 2.90 1.02 -1.26 -4.86 120.64 120.32 3g82 n GLU 50 Ca 0.06 0.09 0.25 0.00 -0.02 0.00 0.00 57.16 57.54 3g82 n GLU 50 Cb 0.41 -3.85 0.60 0.00 -0.02 0.00 0.00 31.44 28.58 3g82 n GLU 50 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3g82 h SER 51 N 0.00 0.26 0.00 1.62 4.64 -1.91 -3.45 113.55 114.71 3g82 h SER 51 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3g82 h SER 51 Cb 0.17 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3g82 h SER 51 CO 0.00 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3g82 n GLY 52 N -1.59 0.99 0.11 -0.77 0.00 -1.26 -4.16 105.19 98.50 3g82 n GLY 52 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 3g82 n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g82 h LYS 53 N 0.00 -0.15 -0.58 1.61 1.57 -1.92 -3.23 116.57 113.88 3g82 h LYS 53 Ca 0.00 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 3g82 h LYS 53 Cb 0.00 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3g82 h LYS 53 CO 0.00 0.17 0.40 0.77 -0.57 0.00 0.00 179.45 180.22 3g82 h SER 54 N -0.99 0.19 -0.96 0.86 0.02 -1.97 0.25 113.55 110.95 3g82 h SER 54 Ca -0.02 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3g82 h SER 54 Cb 0.38 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 3g82 h SER 54 CO 0.03 0.11 0.63 0.74 -1.14 0.00 0.00 176.83 177.20 3g82 h THR 55 N 0.21 1.23 -0.29 -2.27 2.02 -1.91 -2.61 112.91 109.28 3g82 h THR 55 Ca 0.28 -0.44 -0.19 0.00 0.77 0.00 0.00 66.41 66.83 3g82 h THR 55 Cb 0.81 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3g82 h THR 55 CO -0.05 0.23 -0.54 0.40 0.37 0.00 0.00 175.52 175.93 3g82 h ILE 56 N 1.29 1.27 -0.71 3.11 2.04 -0.96 -2.85 117.51 120.69 3g82 h ILE 56 Ca 0.36 -1.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 3g82 h ILE 56 Cb -0.13 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3g82 h ILE 56 CO -0.08 0.56 0.44 0.58 0.00 0.00 0.00 178.15 179.65 3g82 h VAL 57 N 0.68 1.20 -0.43 1.67 2.07 -1.18 -1.14 116.25 119.12 3g82 h VAL 57 Ca 0.02 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.14 3g82 h VAL 57 Cb 1.15 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3g82 h VAL 57 CO 0.12 0.20 0.24 0.11 0.02 0.00 0.00 177.57 178.26 3g82 h LYS 58 N 0.96 0.46 0.00 1.57 1.57 -1.52 -1.81 116.57 117.81 3g82 h LYS 58 Ca 0.25 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3g82 h LYS 58 Cb -0.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3g82 h LYS 58 CO -0.05 0.31 0.00 1.04 -0.57 0.00 0.00 179.45 180.18 3g82 n GLN 59 N -4.87 0.14 -0.06 3.15 1.13 -0.45 -0.12 117.38 116.30 3g82 n GLN 59 Ca 0.02 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.01 3g82 n GLN 59 Cb 0.08 -1.03 -0.07 0.00 0.11 0.00 0.00 30.24 29.33 3g82 n GLN 59 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3g82 n MET 60 N -0.53 1.21 -0.16 -1.09 2.81 -0.69 -3.73 117.12 114.94 3g82 n MET 60 Ca 0.00 0.04 -0.09 0.00 -1.81 0.00 0.00 57.70 55.84 3g82 n MET 60 Cb 0.00 -1.25 -0.00 0.00 -0.71 0.00 0.00 33.22 31.26 3g82 n MET 60 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3g82 h ARG 61 N 0.00 0.73 -0.13 0.03 3.08 -0.49 1.09 114.38 118.69 3g82 h ARG 61 Ca -0.27 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 59.64 3g82 h ARG 61 Cb 1.50 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.41 3g82 h ARG 61 CO -0.02 0.73 -0.14 0.82 -1.07 0.00 0.00 179.97 180.29 3g82 h ILE 62 N 0.61 0.62 0.00 2.04 1.08 -0.77 -3.09 117.51 118.00 3g82 h ILE 62 Ca 0.14 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.60 3g82 h ILE 62 Cb 0.33 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 34.70 3g82 h ILE 62 CO 0.00 0.00 -0.10 -0.07 -0.69 0.00 0.00 178.15 177.29 3g82 h LEU 63 N -0.17 0.00 -2.90 1.44 3.38 -1.57 -3.42 115.31 112.07 3g82 h LEU 63 Ca 0.09 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.24 3g82 h LEU 63 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3g82 h LEU 63 CO -0.23 0.97 -0.00 1.41 0.09 0.00 0.00 178.44 180.67 3g82 n HIS 64 N -4.62 0.00 0.00 1.13 8.25 0.37 -5.05 115.22 115.30 3g82 n HIS 64 Ca -0.10 -0.52 0.00 0.00 -0.26 0.00 0.00 57.72 56.84 3g82 n HIS 64 Cb 0.43 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.48 3g82 n HIS 64 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3g82 n VAL 65 N -0.56 0.00 0.00 1.59 0.31 -1.14 -4.37 118.33 114.16 3g82 n VAL 65 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3g82 n VAL 65 Cb 0.30 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 3g82 n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g82 n GLY 86 N 3.51 2.02 0.30 2.92 0.00 -1.26 -4.78 105.19 107.90 3g82 n GLY 86 Ca 0.00 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.87 3g82 n GLY 86 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g82 n GLU 87 N 0.00 0.99 0.22 1.61 -0.58 -1.26 -4.22 120.64 117.40 3g82 n GLU 87 Ca 0.00 -0.61 0.16 0.00 -0.42 0.00 0.00 57.16 56.28 3g82 n GLU 87 Cb 0.00 -1.49 0.67 0.00 -0.57 0.00 0.00 31.44 30.05 3g82 n GLU 87 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3g82 h LYS 88 N 1.49 0.00 0.00 3.49 1.57 -2.03 -3.14 116.57 117.95 3g82 h LYS 88 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3g82 h LYS 88 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3g82 h LYS 88 CO 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 179.45 178.79 3g82 h ALA 89 N 2.10 1.08 0.00 3.86 0.00 -2.01 -3.04 119.26 121.26 3g82 h ALA 89 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3g82 h ALA 89 Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3g82 h ALA 89 CO 0.00 0.12 -0.26 0.00 0.00 0.00 0.00 179.25 179.10 3g82 h THR 90 N 0.00 0.40 0.00 0.00 1.03 -1.88 -3.28 112.91 109.18 3g82 h THR 90 Ca -0.00 -1.57 0.00 0.00 -0.01 0.00 0.00 66.41 64.83 3g82 h THR 90 Cb 0.47 2.19 0.00 0.00 -1.07 0.00 0.00 68.15 69.73 3g82 h THR 90 CO 0.01 0.23 -0.76 0.29 -0.01 0.00 0.00 175.52 175.29 3g82 n LYS 91 N -3.15 0.11 -0.25 0.00 5.02 -1.15 -3.87 118.16 114.87 3g82 n LYS 91 Ca 0.03 0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.31 3g82 n LYS 91 Cb 0.63 -1.54 0.11 0.00 -0.02 0.00 0.00 35.03 34.20 3g82 n LYS 91 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g82 h VAL 92 N 0.00 1.00 -0.37 -0.18 2.07 -1.63 0.94 116.25 118.07 3g82 h VAL 92 Ca 0.00 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.33 3g82 h VAL 92 Cb 0.59 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.43 3g82 h VAL 92 CO 0.00 0.14 -0.34 -0.61 0.02 0.00 0.00 177.57 176.78 3g82 h GLN 93 N 0.77 -0.27 0.00 1.57 5.75 -1.76 -2.27 115.11 118.91 3g82 h GLN 93 Ca 0.32 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.79 3g82 h GLN 93 Cb 0.17 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 3g82 h GLN 93 CO -0.17 -0.18 -0.21 -0.44 -2.65 0.00 0.00 178.83 175.18 3g82 h ASP 94 N -0.28 0.00 -0.13 -0.69 3.32 -1.27 -2.77 116.42 114.60 3g82 h ASP 94 Ca 0.16 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 3g82 h ASP 94 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3g82 h ASP 94 CO -0.53 0.21 -0.40 0.40 -1.72 0.00 0.00 179.24 177.20 3g82 h ILE 95 N 0.00 1.36 -0.99 0.35 2.04 -0.44 -2.58 117.51 117.25 3g82 h ILE 95 Ca -0.00 -1.70 0.03 0.00 1.00 0.00 0.00 64.86 64.19 3g82 h ILE 95 Cb 0.41 2.08 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 3g82 h ILE 95 CO 0.03 0.51 0.65 0.11 0.00 0.00 0.00 178.15 179.45 3g82 h LYS 96 N 0.12 1.25 -0.50 2.37 1.57 -1.23 -2.19 116.57 117.97 3g82 h LYS 96 Ca -0.01 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3g82 h LYS 96 Cb 1.03 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 3g82 h LYS 96 CO 0.09 0.83 0.26 -0.91 -0.57 0.00 0.00 179.45 179.15 3g82 h ASN 97 N 1.29 0.39 0.01 0.86 -0.26 -1.43 -0.46 115.58 115.99 3g82 h ASN 97 Ca 0.38 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.15 3g82 h ASN 97 Cb -0.06 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 3g82 h ASN 97 CO -0.11 0.27 -0.13 0.78 -1.06 0.00 0.00 177.43 177.19 3g82 h ASN 98 N 0.52 -0.40 -0.80 5.81 -0.26 -0.99 0.21 115.58 119.67 3g82 h ASN 98 Ca 0.21 0.04 0.16 0.00 -0.56 0.00 0.00 56.30 56.15 3g82 h ASN 98 Cb 0.10 0.15 -0.15 0.00 -1.06 0.00 0.00 38.32 37.36 3g82 h ASN 98 CO -0.13 -0.13 -0.21 -0.11 -1.06 0.00 0.00 177.43 175.78 3g82 n LEU 99 N -3.21 -0.31 0.14 1.61 7.94 -0.97 0.45 117.00 122.65 3g82 n LEU 99 Ca -0.02 1.37 -0.14 0.00 -1.11 0.00 0.00 56.01 56.12 3g82 n LEU 99 Cb 0.10 -0.40 -0.08 0.00 0.53 0.00 0.00 43.42 43.57 3g82 n LEU 99 CO 0.03 -1.31 0.77 0.50 -1.11 0.00 0.00 177.39 176.27 3g82 h LYS 100 N 0.00 -0.28 -0.08 1.96 3.64 -0.31 -2.18 116.57 119.33 3g82 h LYS 100 Ca 0.37 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.74 3g82 h LYS 100 Cb 0.57 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3g82 h LYS 100 CO -0.82 -0.15 -0.08 0.93 -2.27 0.00 0.00 179.45 177.06 3g82 h GLU 101 N -0.35 0.11 0.51 1.90 5.08 0.13 -2.38 114.58 119.57 3g82 h GLU 101 Ca -0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3g82 h GLU 101 Cb 0.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3g82 h GLU 101 CO 0.05 0.20 -0.24 0.00 -1.00 0.00 0.00 179.01 178.02 3g82 h ALA 102 N 1.81 -0.68 0.35 3.43 0.00 0.45 -1.82 119.26 122.80 3g82 h ALA 102 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3g82 h ALA 102 Cb 0.22 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3g82 h ALA 102 CO 0.01 -0.70 -0.17 0.97 0.00 0.00 0.00 179.25 179.36 3g82 h ILE 103 N -1.04 0.66 -0.63 0.00 6.09 -1.44 -2.84 117.51 118.31 3g82 h ILE 103 Ca -0.07 -0.31 0.11 0.00 -1.37 0.00 0.00 64.86 63.21 3g82 h ILE 103 Cb 0.60 0.83 -0.04 0.00 0.47 0.00 0.00 36.82 38.68 3g82 h ILE 103 CO 0.11 0.06 0.42 1.05 -3.07 0.00 0.00 178.15 176.73 3g82 h GLU 104 N -0.65 0.41 -0.28 2.19 4.11 -1.53 0.15 114.58 118.98 3g82 h GLU 104 Ca -0.05 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 3g82 h GLU 104 Cb 0.46 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3g82 h GLU 104 CO 0.08 0.27 0.14 1.15 0.07 0.00 0.00 179.01 180.72 3g82 h THR 105 N 0.42 1.15 0.12 -1.06 2.02 -1.26 -1.82 112.91 112.48 3g82 h THR 105 Ca 0.30 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3g82 h THR 105 Cb 0.59 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3g82 h THR 105 CO -0.08 0.15 -0.06 0.40 0.37 0.00 0.00 175.52 176.29 3g82 h ILE 106 N 0.33 1.01 -0.93 3.11 2.04 -0.51 -1.70 117.51 120.86 3g82 h ILE 106 Ca 0.10 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.45 3g82 h ILE 106 Cb 0.11 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 3g82 h ILE 106 CO -0.01 0.13 0.60 -0.37 0.00 0.00 0.00 178.15 178.50 3g82 h VAL 107 N -0.43 1.11 -0.71 1.67 -1.51 -1.30 -0.34 116.25 114.75 3g82 h VAL 107 Ca -0.02 -0.39 0.04 0.00 -1.23 0.00 0.00 66.70 65.10 3g82 h VAL 107 Cb 0.35 -0.11 -0.05 0.00 -2.13 0.00 0.00 31.29 29.35 3g82 h VAL 107 CO 0.03 0.21 0.44 0.00 -1.23 0.00 0.00 177.57 177.01 3g82 h ALA 108 N 1.41 0.93 0.00 5.19 0.00 -1.24 -2.87 119.26 122.68 3g82 h ALA 108 Ca 0.39 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3g82 h ALA 108 Cb 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3g82 h ALA 108 CO -0.15 0.20 -0.13 0.00 0.00 0.00 0.00 179.25 179.18 3g82 h ALA 109 N 1.31 1.22 0.02 0.00 0.00 -0.10 -3.33 119.26 118.38 3g82 h ALA 109 Ca 0.29 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3g82 h ALA 109 Cb 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3g82 h ALA 109 CO -0.12 0.16 -0.36 0.52 0.00 0.00 0.00 179.25 179.45 3g82 h MET 110 N 0.00 -0.51 0.00 0.00 2.86 -1.21 -2.47 114.93 113.60 3g82 h MET 110 Ca -0.00 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3g82 h MET 110 Cb 0.39 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3g82 h MET 110 CO 0.02 -0.34 0.00 0.66 1.06 0.00 0.00 176.91 178.31 3g82 h SER 111 N -0.53 0.00 -0.88 1.22 4.64 -1.78 -1.62 113.55 114.61 3g82 h SER 111 Ca 0.05 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.81 3g82 h SER 111 Cb 0.60 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.43 3g82 h SER 111 CO -0.27 0.00 0.72 0.59 -0.87 0.00 0.00 176.83 177.00 3g82 n ASN 112 N -2.39 6.39 -4.39 4.97 4.13 -0.93 -4.74 115.26 118.30 3g82 n ASN 112 Ca 0.04 -3.56 -0.20 0.00 1.68 0.00 0.00 54.58 52.54 3g82 n ASN 112 Cb 0.38 -0.94 -0.10 0.00 -1.54 0.00 0.00 39.78 37.58 3g82 n ASN 112 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3g82 s LEU 113 N -3.23 2.50 -0.35 3.41 1.43 -1.24 -5.03 118.68 116.17 3g82 s LEU 113 Ca 0.55 -1.11 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 3g82 s LEU 113 Cb 0.44 -0.65 0.10 0.00 0.03 0.00 0.00 46.19 46.11 3g82 s LEU 113 CO 0.02 -0.27 0.07 -0.69 0.23 0.00 0.00 176.35 175.71 3g82 s VAL 114 N -3.00 2.50 0.72 -1.59 1.01 -1.26 -1.34 120.40 117.43 3g82 s VAL 114 Ca 0.26 -2.23 -0.09 0.00 0.00 0.00 0.00 61.98 59.92 3g82 s VAL 114 Cb 0.02 -2.78 0.05 0.00 0.00 0.00 0.00 36.38 33.66 3g82 s VAL 114 CO 0.10 -0.57 1.07 -2.16 0.00 0.00 0.00 175.10 173.53 3g82 s PRO 115 N 0.97 2.35 0.43 2.72 0.04 -1.26 -5.11 135.00 135.14 3g82 s PRO 115 Ca 0.09 0.04 -0.25 0.00 0.04 0.00 0.00 61.00 60.92 3g82 s PRO 115 Cb -0.20 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 3g82 s PRO 115 CO -0.07 -1.24 1.32 -1.25 0.04 0.00 0.00 177.00 175.80 3g82 s PRO 116 N -5.34 3.80 -0.20 0.56 0.04 -0.45 -5.00 135.00 128.41 3g82 s PRO 116 Ca 0.59 2.19 -0.19 0.00 0.04 0.00 0.00 61.00 63.63 3g82 s PRO 116 Cb -0.11 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 3g82 s PRO 116 CO 0.48 -0.64 0.53 0.08 0.04 0.00 0.00 177.00 177.49 3g82 s VAL 117 N -1.28 5.10 0.16 -0.36 1.01 -0.61 -4.99 120.40 119.42 3g82 s VAL 117 Ca 0.60 0.98 -0.08 0.00 0.00 0.00 0.00 61.98 63.48 3g82 s VAL 117 Cb -0.39 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 3g82 s VAL 117 CO 0.49 0.17 0.44 -1.61 0.00 0.00 0.00 175.10 174.59 3g82 s GLU 118 N 1.67 3.72 0.47 2.72 2.02 -1.26 -4.64 118.70 123.41 3g82 s GLU 118 Ca 0.24 0.10 -0.23 0.00 0.02 0.00 0.00 54.97 55.11 3g82 s GLU 118 Cb -0.15 -2.81 -0.07 0.00 0.10 0.00 0.00 34.13 31.19 3g82 s GLU 118 CO 0.10 0.44 1.22 -0.51 0.02 0.00 0.00 175.26 176.52 3g82 s LEU 119 N -2.54 4.00 0.17 1.80 1.43 -1.26 -4.43 118.68 117.85 3g82 s LEU 119 Ca 0.41 2.44 0.02 0.00 -1.03 0.00 0.00 54.13 55.98 3g82 s LEU 119 Cb -0.12 -4.21 0.01 0.00 0.03 0.00 0.00 46.19 41.89 3g82 s LEU 119 CO 0.22 -1.06 1.39 0.00 0.23 0.00 0.00 176.35 177.13 3g82 h ALA 120 N 1.99 0.53 -3.68 4.21 0.00 -1.93 -3.42 119.26 116.97 3g82 h ALA 120 Ca -0.50 -0.71 -0.65 0.00 0.00 0.00 0.00 54.91 53.05 3g82 h ALA 120 Cb 1.26 -0.07 -0.39 0.00 0.00 0.00 0.00 17.79 18.59 3g82 h ALA 120 CO 0.60 0.90 -0.75 -0.80 0.00 0.00 0.00 179.25 179.20 3g82 s ASN 121 N -6.93 4.54 0.43 0.00 0.01 -1.26 -4.98 114.94 106.74 3g82 s ASN 121 Ca -0.03 -1.85 0.17 0.00 -0.71 0.00 0.00 52.86 50.44 3g82 s ASN 121 Cb 0.10 -1.50 0.90 0.00 0.41 0.00 0.00 41.25 41.16 3g82 s ASN 121 CO 0.83 -0.33 1.43 -0.65 -1.51 0.00 0.00 177.10 176.87 3g82 h PRO 122 N 7.72 0.00 0.57 -0.60 0.11 -2.02 0.54 132.00 138.32 3g82 h PRO 122 Ca -0.10 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 3g82 h PRO 122 Cb 1.03 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.14 3g82 h PRO 122 CO 0.49 0.00 -0.27 0.93 -0.21 0.00 0.00 178.00 178.94 3g82 h GLU 123 N 0.00 -0.73 0.00 1.05 3.07 -1.98 -3.19 114.58 112.80 3g82 h GLU 123 Ca 0.00 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3g82 h GLU 123 Cb 0.70 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3g82 h GLU 123 CO 0.00 -0.49 0.56 -0.91 -1.40 0.00 0.00 179.01 176.78 3g82 h ASN 124 N -0.76 0.00 -0.97 1.42 2.35 -1.31 -3.10 115.58 113.21 3g82 h ASN 124 Ca -0.08 0.00 0.31 0.00 -0.55 0.00 0.00 56.30 55.98 3g82 h ASN 124 Cb 0.58 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.79 3g82 h ASN 124 CO 0.13 0.00 0.29 -0.61 -1.65 0.00 0.00 177.43 175.58 3g82 h GLN 125 N 0.00 0.09 0.00 0.81 5.75 -1.71 0.14 115.11 120.19 3g82 h GLN 125 Ca 0.00 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.38 3g82 h GLN 125 Cb 1.12 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 3g82 h GLN 125 CO 0.00 0.06 -0.53 0.74 -2.65 0.00 0.00 178.83 176.45 3g82 h PHE 126 N 0.09 0.00 -0.08 3.99 0.04 -1.83 -0.07 116.94 119.08 3g82 h PHE 126 Ca 0.67 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 61.30 3g82 h PHE 126 Cb 1.54 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.68 3g82 h PHE 126 CO -0.25 0.53 -0.59 0.00 -0.60 0.00 0.00 178.31 177.41 3g82 h ARG 127 N 0.00 0.25 -0.40 1.51 3.08 -1.00 0.21 114.38 118.03 3g82 h ARG 127 Ca -0.01 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 3g82 h ARG 127 Cb 1.20 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 3g82 h ARG 127 CO 0.07 0.77 0.01 0.28 -1.07 0.00 0.00 179.97 180.03 3g82 h VAL 128 N 0.19 1.26 -0.86 2.04 2.07 -0.71 0.22 116.25 120.46 3g82 h VAL 128 Ca -0.00 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3g82 h VAL 128 Cb 1.09 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 3g82 h VAL 128 CO 0.09 0.33 0.55 0.44 0.02 0.00 0.00 177.57 179.00 3g82 h ASP 129 N 0.53 1.00 0.83 0.57 5.19 -0.75 -1.14 116.42 122.65 3g82 h ASP 129 Ca 0.12 -0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.44 3g82 h ASP 129 Cb 0.46 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 39.72 3g82 h ASP 129 CO 0.02 0.75 -0.40 0.22 -3.12 0.00 0.00 179.24 176.71 3g82 h TYR 130 N 1.17 -1.03 -0.29 4.55 3.20 -0.29 -1.81 116.97 122.47 3g82 h TYR 130 Ca 0.31 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.24 3g82 h TYR 130 Cb -0.10 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3g82 h TYR 130 CO -0.01 -0.64 0.23 0.82 -1.64 0.00 0.00 178.16 176.92 3g82 h ILE 131 N -1.15 0.75 0.31 1.81 1.08 -0.49 -2.11 117.51 117.71 3g82 h ILE 131 Ca -0.11 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 3g82 h ILE 131 Cb 0.85 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 3g82 h ILE 131 CO 0.19 0.00 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.43 3g82 h LEU 132 N 0.00 -0.35 -1.74 1.44 3.38 -1.20 -3.26 115.31 113.58 3g82 h LEU 132 Ca 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3g82 h LEU 132 Cb 0.59 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3g82 h LEU 132 CO -0.00 0.11 0.20 0.77 0.09 0.00 0.00 178.44 179.61 3g82 h SER 133 N -1.08 0.00 -0.31 -0.43 4.64 -0.67 0.19 113.55 115.89 3g82 h SER 133 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3g82 h SER 133 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3g82 h SER 133 CO 0.07 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.36 3g82 n VAL 134 N -2.56 0.50 -0.23 0.95 0.24 -0.93 -4.69 118.33 111.60 3g82 n VAL 134 Ca -0.02 -0.75 -0.06 0.00 -2.04 0.00 0.00 64.34 61.48 3g82 n VAL 134 Cb 0.24 0.95 0.05 0.00 -1.47 0.00 0.00 33.84 33.60 3g82 n VAL 134 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 3g82 h MET 135 N 3.60 0.86 0.00 7.34 -1.53 -0.99 -3.07 114.93 121.14 3g82 h MET 135 Ca 0.00 -0.05 -0.07 0.00 -3.44 0.00 0.00 59.70 56.14 3g82 h MET 135 Cb 0.84 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 31.69 3g82 h MET 135 CO 0.00 0.57 -0.90 -0.91 0.14 0.00 0.00 176.91 175.82 3g82 h ASN 136 N 0.88 0.00 -0.94 1.39 2.35 -1.84 -3.48 115.58 113.95 3g82 h ASN 136 Ca 0.24 0.00 -0.82 0.00 -0.55 0.00 0.00 56.30 55.17 3g82 h ASN 136 Cb -0.09 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.29 3g82 h ASN 136 CO -0.05 0.26 0.58 0.52 -1.65 0.00 0.00 177.43 177.09 3g82 n VAL 137 N -2.90 0.00 0.00 2.81 0.31 -1.16 -4.92 118.33 112.47 3g82 n VAL 137 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3g82 n VAL 137 Cb 0.67 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 3g82 n VAL 137 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3g82 n PRO 138 N 3.50 0.00 -1.91 5.55 -0.02 -1.26 -4.19 135.00 136.67 3g82 n PRO 138 Ca 0.28 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 3g82 n PRO 138 Cb -0.04 -0.27 -0.01 0.00 -0.02 0.00 0.00 33.50 33.16 3g82 n PRO 138 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3g82 n ASP 139 N 0.00 4.00 -4.73 2.55 9.92 -1.26 -4.95 116.55 122.08 3g82 n ASP 139 Ca 0.00 -2.84 -0.42 0.00 -0.53 0.00 0.00 54.79 51.00 3g82 n ASP 139 Cb 0.00 -1.64 -0.03 0.00 -0.64 0.00 0.00 41.12 38.81 3g82 n ASP 139 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 3g82 s PHE 140 N 3.84 3.20 -1.87 1.24 5.36 -1.26 -4.94 117.98 123.55 3g82 s PHE 140 Ca 0.50 1.07 0.22 0.00 -0.96 0.00 0.00 56.93 57.76 3g82 s PHE 140 Cb 0.11 -3.68 0.62 0.00 -0.34 0.00 0.00 43.02 39.73 3g82 s PHE 140 CO -0.02 -2.26 1.52 -0.40 -1.46 0.00 0.00 175.22 172.59 3g82 n ASP 141 N 3.04 3.89 -3.74 6.13 3.85 -1.26 -5.02 116.55 123.45 3g82 n ASP 141 Ca 0.08 -2.01 -0.26 0.00 -0.71 0.00 0.00 54.79 51.90 3g82 n ASP 141 Cb 0.42 -0.47 0.01 0.00 -1.35 0.00 0.00 41.12 39.72 3g82 n ASP 141 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3g82 n PHE 142 N 1.56 -2.04 -1.31 2.11 3.72 -1.26 -4.94 117.46 115.28 3g82 n PHE 142 Ca 0.24 0.71 -0.31 0.00 -0.05 0.00 0.00 57.45 58.04 3g82 n PHE 142 Cb 0.61 -3.01 0.09 0.00 -0.94 0.00 0.00 39.48 36.23 3g82 n PHE 142 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3g82 s PRO 143 N -5.20 2.32 0.58 -1.08 0.04 -1.26 -4.87 135.00 125.52 3g82 s PRO 143 Ca 0.13 1.11 0.28 0.00 0.04 0.00 0.00 61.00 62.55 3g82 s PRO 143 Cb -0.06 -1.91 1.73 0.00 0.04 0.00 0.00 34.50 34.30 3g82 s PRO 143 CO 0.89 -1.58 2.23 -1.35 0.04 0.00 0.00 177.00 177.23 3g82 h PRO 144 N -1.08 0.00 -0.21 0.56 0.11 -1.96 0.17 132.00 129.59 3g82 h PRO 144 Ca -0.44 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.70 3g82 h PRO 144 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3g82 h PRO 144 CO 0.53 0.01 0.02 0.93 -0.21 0.00 0.00 178.00 179.28 3g82 h GLU 145 N 0.00 0.10 -0.51 1.05 3.07 -1.99 -2.23 114.58 114.07 3g82 h GLU 145 Ca -0.00 -0.01 0.09 0.00 -0.50 0.00 0.00 59.36 58.95 3g82 h GLU 145 Cb 0.01 -0.02 -0.10 0.00 -0.84 0.00 0.00 28.75 27.80 3g82 h GLU 145 CO 0.00 0.06 -0.35 0.35 -1.40 0.00 0.00 179.01 177.68 3g82 h PHE 146 N 0.10 -0.97 -0.38 4.33 3.57 -0.99 0.20 116.94 122.79 3g82 h PHE 146 Ca 0.10 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3g82 h PHE 146 Cb 0.10 0.50 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3g82 h PHE 146 CO -0.16 -0.39 0.12 1.88 -2.23 0.00 0.00 178.31 177.53 3g82 h TYR 147 N -0.21 0.55 0.62 0.41 0.05 -1.50 0.26 116.97 117.15 3g82 h TYR 147 Ca 0.20 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.92 3g82 h TYR 147 Cb 0.55 -0.17 0.01 0.00 1.01 0.00 0.00 36.73 38.13 3g82 h TYR 147 CO -0.61 0.46 -0.30 0.93 -1.05 0.00 0.00 178.16 177.60 3g82 h GLU 148 N 0.54 -0.80 -0.41 4.88 5.08 -0.12 0.33 114.58 124.08 3g82 h GLU 148 Ca 0.13 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3g82 h GLU 148 Cb 0.17 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3g82 h GLU 148 CO -0.01 -0.49 0.23 0.45 -1.00 0.00 0.00 179.01 178.19 3g82 h HIS 149 N -1.13 0.43 -0.39 4.33 3.86 -0.74 -0.53 115.15 120.99 3g82 h HIS 149 Ca -0.08 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.22 3g82 h HIS 149 Cb 0.68 -0.14 -0.08 0.00 1.06 0.00 0.00 27.41 28.93 3g82 h HIS 149 CO 0.00 0.25 -0.16 0.00 0.86 0.00 0.00 177.93 178.88 3g82 h ALA 150 N 1.19 0.15 0.53 2.45 0.00 -0.46 0.31 119.26 123.42 3g82 h ALA 150 Ca 0.16 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3g82 h ALA 150 Cb 0.02 0.41 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3g82 h ALA 150 CO -0.08 -0.52 -0.25 -0.22 0.00 0.00 0.00 179.25 178.17 3g82 h LYS 151 N -0.08 -0.68 -0.94 0.00 3.64 -0.52 -1.26 116.57 116.72 3g82 h LYS 151 Ca 0.19 0.05 0.27 0.00 -1.27 0.00 0.00 60.65 59.89 3g82 h LYS 151 Cb 0.38 0.15 -0.14 0.00 -0.41 0.00 0.00 32.23 32.21 3g82 h LYS 151 CO -0.45 -0.38 0.41 0.00 -2.27 0.00 0.00 179.45 176.77 3g82 h ALA 152 N -0.64 1.60 -0.18 5.00 0.00 -0.86 0.71 119.26 124.90 3g82 h ALA 152 Ca -0.07 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3g82 h ALA 152 Cb 0.62 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3g82 h ALA 152 CO 0.12 -0.49 0.09 -0.07 0.00 0.00 0.00 179.25 178.90 3g82 h LEU 153 N 0.30 0.23 -1.52 0.00 3.38 -0.05 -0.40 115.31 117.25 3g82 h LEU 153 Ca 0.64 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.46 3g82 h LEU 153 Cb 1.35 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3g82 h LEU 153 CO -0.61 0.27 -0.12 -0.25 0.09 0.00 0.00 178.44 177.82 3g82 h TRP 154 N 0.18 0.16 0.00 1.13 -0.00 0.46 -2.04 115.95 115.84 3g82 h TRP 154 Ca 0.06 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 58.90 3g82 h TRP 154 Cb 0.10 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.16 29.20 3g82 h TRP 154 CO -0.03 0.28 -0.20 0.93 -0.00 0.00 0.00 178.44 179.42 3g82 h GLU 155 N 0.15 0.00 -6.98 2.65 4.39 0.10 -3.43 114.58 111.47 3g82 h GLU 155 Ca 0.03 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.20 3g82 h GLU 155 Cb 0.31 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.06 3g82 h GLU 155 CO 0.02 0.20 0.62 0.34 -1.16 0.00 0.00 179.01 179.03 3g82 s ASP 156 N -6.16 6.01 -0.02 1.42 -1.08 -0.23 -4.97 116.67 111.65 3g82 s ASP 156 Ca 0.00 2.70 -0.21 0.00 -0.52 0.00 0.00 52.55 54.52 3g82 s ASP 156 Cb 0.11 -2.64 -0.24 0.00 -1.46 0.00 0.00 42.92 38.68 3g82 s ASP 156 CO 0.63 -1.06 1.05 -0.08 0.52 0.00 0.00 175.17 176.23 3g82 h GLU 157 N 2.32 0.33 -0.88 4.34 4.81 -1.86 -3.14 114.58 120.51 3g82 h GLU 157 Ca -0.50 -0.38 0.12 0.00 -0.13 0.00 0.00 59.36 58.47 3g82 h GLU 157 Cb 1.26 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 30.67 3g82 h GLU 157 CO 0.61 1.08 0.50 0.78 -0.73 0.00 0.00 179.01 181.25 3g82 h GLY 158 N -0.25 1.42 1.07 1.92 0.00 -1.89 0.17 103.07 105.52 3g82 h GLY 158 Ca -0.07 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 46.96 3g82 h GLY 158 CO 0.10 0.06 0.59 -2.08 0.00 0.00 0.00 176.54 175.22 3g82 h VAL 159 N 0.77 1.20 -0.31 4.60 2.07 -1.83 0.15 116.25 122.90 3g82 h VAL 159 Ca 0.45 -0.40 -0.16 0.00 0.82 0.00 0.00 66.70 67.41 3g82 h VAL 159 Cb 0.53 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3g82 h VAL 159 CO -0.30 0.22 -0.42 0.03 0.02 0.00 0.00 177.57 177.12 3g82 h ARG 160 N 1.18 0.83 0.00 1.57 3.08 -1.14 -0.90 114.38 118.99 3g82 h ARG 160 Ca 0.34 -0.48 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3g82 h ARG 160 Cb -0.08 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3g82 h ARG 160 CO -0.09 1.11 -0.01 0.00 -1.07 0.00 0.00 179.97 179.91 3g82 h ALA 161 N 0.71 1.05 0.01 0.04 0.00 0.05 0.25 119.26 121.36 3g82 h ALA 161 Ca 0.04 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 3g82 h ALA 161 Cb 1.01 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3g82 h ALA 161 CO 0.10 0.02 -1.34 0.00 0.00 0.00 0.00 179.25 178.03 3g82 h TYR 163 N 0.00 0.07 0.00 0.00 3.20 0.36 -2.83 116.97 117.77 3g82 h TYR 163 Ca -0.14 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.70 3g82 h TYR 163 Cb 1.89 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 40.15 3g82 h TYR 163 CO 0.00 0.70 0.00 0.93 -1.64 0.00 0.00 178.16 178.15 3g82 h GLU 164 N 0.03 0.00 -0.30 1.82 4.39 -0.67 -2.27 114.58 117.58 3g82 h GLU 164 Ca -0.01 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.52 3g82 h GLU 164 Cb 1.18 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.72 3g82 h GLU 164 CO 0.09 0.00 -0.22 0.54 -1.16 0.00 0.00 179.01 178.26 3g82 n ARG 165 N -2.61 1.90 -0.01 2.33 1.74 -1.07 -4.71 116.66 114.23 3g82 n ARG 165 Ca -0.00 -3.30 0.01 0.00 -0.77 0.00 0.00 57.85 53.79 3g82 n ARG 165 Cb 0.17 -1.81 0.05 0.00 -1.02 0.00 0.00 32.46 29.86 3g82 n ARG 165 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3g82 n SER 166 N -1.10 0.07 0.20 0.55 3.41 -0.86 -2.55 113.62 113.35 3g82 n SER 166 Ca 0.31 -1.95 0.12 0.00 -0.26 0.00 0.00 58.87 57.09 3g82 n SER 166 Cb 0.94 -0.01 0.15 0.00 -0.26 0.00 0.00 64.21 65.03 3g82 n SER 166 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3g82 h ASN 167 N 0.07 0.00 0.00 4.04 -1.07 -1.84 -3.39 115.58 113.39 3g82 h ASN 167 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.33 3g82 h ASN 167 Cb 0.02 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.26 3g82 h ASN 167 CO 0.00 0.00 -0.29 -0.33 0.07 0.00 0.00 177.43 176.88 3g82 h GLU 168 N 0.00 0.00 0.00 4.14 5.08 -1.79 -3.41 114.58 118.59 3g82 h GLU 168 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 3g82 h GLU 168 Cb 0.99 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.33 3g82 h GLU 168 CO 0.00 0.58 0.18 2.48 -1.00 0.00 0.00 179.01 181.25 3g82 n TYR 169 N -4.63 -3.60 -3.61 4.33 0.18 -1.26 -4.96 117.16 103.61 3g82 n TYR 169 Ca -0.11 -0.92 -0.38 0.00 1.88 0.00 0.00 57.90 58.37 3g82 n TYR 169 Cb 0.35 -0.57 -0.11 0.00 -0.38 0.00 0.00 39.34 38.62 3g82 n TYR 169 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 3g82 s GLN 170 N -4.53 3.74 -0.03 -3.48 -1.52 -1.26 -4.91 119.66 107.67 3g82 s GLN 170 Ca 0.46 -0.46 0.00 0.00 -1.95 0.00 0.00 55.36 53.41 3g82 s GLN 170 Cb -0.02 -3.63 0.03 0.00 -0.22 0.00 0.00 33.01 29.17 3g82 s GLN 170 CO 0.31 -0.27 0.01 -1.17 -0.25 0.00 0.00 175.29 173.93 3g82 s LEU 171 N 1.72 1.16 0.48 2.90 2.96 -1.26 -5.01 118.68 121.62 3g82 s LEU 171 Ca 0.06 -0.01 -0.24 0.00 -0.22 0.00 0.00 54.13 53.73 3g82 s LEU 171 Cb -0.16 -0.17 -0.07 0.00 0.50 0.00 0.00 46.19 46.29 3g82 s LEU 171 CO 0.09 -0.11 1.38 0.27 -1.32 0.00 0.00 176.35 176.66 3g82 s ILE 172 N 1.01 2.18 0.40 6.68 -4.36 -1.26 -4.92 121.20 120.94 3g82 s ILE 172 Ca -0.10 0.15 0.12 0.00 -0.26 0.00 0.00 60.65 60.57 3g82 s ILE 172 Cb -0.13 -3.09 0.33 0.00 1.25 0.00 0.00 42.46 40.82 3g82 s ILE 172 CO -0.02 0.01 1.94 0.44 0.24 0.00 0.00 174.94 177.55 3g82 h ASP 173 N 2.06 0.49 -0.07 4.36 3.32 -1.98 -2.98 116.42 121.62 3g82 h ASP 173 Ca -0.51 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3g82 h ASP 173 Cb 1.27 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3g82 h ASP 173 CO 0.60 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 178.40 3g82 n ALA 175 N -0.32 -0.11 -0.34 0.00 0.00 -1.13 -1.80 120.51 116.82 3g82 n ALA 175 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 3g82 n ALA 175 Cb 0.06 0.21 0.05 0.00 0.00 0.00 0.00 19.45 19.77 3g82 n ALA 175 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3g82 h GLN 176 N 0.00 -0.03 -0.24 0.00 4.15 -1.88 -1.37 115.11 115.73 3g82 h GLN 176 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.48 3g82 h GLN 176 Cb 0.00 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.63 3g82 h GLN 176 CO 0.00 -0.02 -0.27 -0.92 -1.93 0.00 0.00 178.83 175.69 3g82 h TYR 177 N -0.03 -0.73 0.01 3.99 3.20 -1.81 -2.03 116.97 119.58 3g82 h TYR 177 Ca 0.34 0.04 -0.25 0.00 3.14 0.00 0.00 58.73 62.00 3g82 h TYR 177 Cb 0.60 0.36 0.01 0.00 1.54 0.00 0.00 36.73 39.24 3g82 h TYR 177 CO -0.79 -0.35 -1.02 0.74 -1.64 0.00 0.00 178.16 175.10 3g82 h PHE 178 N -0.28 0.85 0.00 -3.82 0.04 -0.87 -3.19 116.94 109.67 3g82 h PHE 178 Ca 0.13 -0.47 -0.01 0.00 2.80 0.00 0.00 57.97 60.42 3g82 h PHE 178 Cb 0.49 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 3g82 h PHE 178 CO -0.42 1.30 -0.05 -0.07 -0.60 0.00 0.00 178.31 178.47 3g82 h LEU 179 N 0.31 0.00 -0.00 1.54 3.38 -1.15 0.41 115.31 119.79 3g82 h LEU 179 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3g82 h LEU 179 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 3g82 h LEU 179 CO 0.19 0.05 -0.17 0.47 0.09 0.00 0.00 178.44 179.07 3g82 n ASP 180 N -3.46 0.18 -1.28 -0.43 8.00 -0.77 -3.81 116.55 114.97 3g82 n ASP 180 Ca -0.02 0.23 -0.00 0.00 0.71 0.00 0.00 54.79 55.70 3g82 n ASP 180 Cb 0.18 -0.24 0.11 0.00 -0.02 0.00 0.00 41.12 41.15 3g82 n ASP 180 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3g82 n LYS 181 N -1.49 1.57 -0.24 -1.24 2.85 0.09 -4.80 118.16 114.89 3g82 n LYS 181 Ca 0.07 -3.16 -0.04 0.00 -1.05 0.00 0.00 58.31 54.13 3g82 n LYS 181 Cb 0.34 -1.33 0.02 0.00 -0.65 0.00 0.00 35.03 33.40 3g82 n LYS 181 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 3g82 h ILE 182 N 3.12 0.14 0.00 0.58 1.08 -1.55 0.49 117.51 121.37 3g82 h ILE 182 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3g82 h ILE 182 Cb 1.34 0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 35.24 3g82 h ILE 182 CO 0.18 0.00 -0.02 0.44 -0.69 0.00 0.00 178.15 178.06 3g82 h ASP 183 N -0.12 0.00 0.05 1.72 3.32 -1.90 0.22 116.42 119.72 3g82 h ASP 183 Ca 0.27 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.15 3g82 h ASP 183 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3g82 h ASP 183 CO -0.75 0.02 -0.86 0.58 -1.72 0.00 0.00 179.24 176.51 3g82 h VAL 184 N 0.00 1.30 0.00 -1.35 2.07 -1.51 -3.37 116.25 113.39 3g82 h VAL 184 Ca -0.00 -2.34 -0.06 0.00 0.82 0.00 0.00 66.70 65.12 3g82 h VAL 184 Cb 0.07 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 3g82 h VAL 184 CO 0.00 0.57 -0.28 0.40 0.02 0.00 0.00 177.57 178.28 3g82 h ILE 185 N -0.72 0.87 0.00 4.57 2.04 -0.39 -3.19 117.51 120.69 3g82 h ILE 185 Ca -0.20 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 3g82 h ILE 185 Cb 1.38 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 39.11 3g82 h ILE 185 CO -0.02 0.27 -0.06 0.07 0.00 0.00 0.00 178.15 178.41 3g82 h LYS 186 N 0.00 0.00 -7.13 2.37 2.10 -0.73 -3.44 116.57 109.74 3g82 h LYS 186 Ca -0.00 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.12 3g82 h LYS 186 Cb 0.63 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 32.07 3g82 h LYS 186 CO 0.04 0.06 0.44 -0.65 -2.00 0.00 0.00 179.45 177.33 3g82 s GLN 187 N -4.07 2.82 0.01 0.07 -1.52 -1.21 -4.96 119.66 110.81 3g82 s GLN 187 Ca -0.02 1.72 0.22 0.00 -1.95 0.00 0.00 55.36 55.33 3g82 s GLN 187 Cb 0.12 -1.92 -0.08 0.00 -0.22 0.00 0.00 33.01 30.91 3g82 s GLN 187 CO 0.53 -1.30 0.94 -0.40 -0.25 0.00 0.00 175.29 174.82 3g82 n ASP 188 N -1.92 0.70 0.11 5.90 5.68 -1.26 -3.69 116.55 122.07 3g82 n ASP 188 Ca 0.13 -0.55 0.12 0.00 -0.50 0.00 0.00 54.79 53.99 3g82 n ASP 188 Cb 0.50 0.99 0.22 0.00 -1.14 0.00 0.00 41.12 41.69 3g82 n ASP 188 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3g82 h ASP 189 N 0.00 0.00 -1.60 -1.12 2.03 -1.96 -3.48 116.42 110.29 3g82 h ASP 189 Ca 0.00 -0.07 -0.69 0.00 -0.73 0.00 0.00 57.03 55.54 3g82 h ASP 189 Cb 0.63 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 39.20 3g82 h ASP 189 CO 0.00 0.04 0.16 0.00 -1.03 0.00 0.00 179.24 178.41 3g82 n TYR 190 N -2.44 0.99 -4.26 4.15 9.36 -1.24 -5.02 117.16 118.70 3g82 n TYR 190 Ca 0.04 0.78 -0.21 0.00 3.32 0.00 0.00 57.90 61.83 3g82 n TYR 190 Cb 0.47 -2.21 -0.16 0.00 -0.63 0.00 0.00 39.34 36.80 3g82 n TYR 190 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3g82 s VAL 191 N -0.14 0.69 0.22 2.97 0.11 -1.26 -5.06 120.40 117.93 3g82 s VAL 191 Ca 0.78 -0.21 -0.30 0.00 -2.93 0.00 0.00 61.98 59.32 3g82 s VAL 191 Cb -0.96 -0.69 -0.09 0.00 -1.53 0.00 0.00 36.38 33.11 3g82 s VAL 191 CO 0.53 0.26 1.14 -2.84 -3.33 0.00 0.00 175.10 170.86 3g82 s PRO 192 N 0.88 4.57 1.16 1.54 0.02 -1.26 -5.04 135.00 136.87 3g82 s PRO 192 Ca -0.11 1.82 -0.18 0.00 0.02 0.00 0.00 61.00 62.55 3g82 s PRO 192 Cb -0.15 -3.22 0.27 0.00 0.02 0.00 0.00 34.50 31.42 3g82 s PRO 192 CO 0.01 0.06 1.13 -1.54 -0.33 0.00 0.00 177.00 176.32 3g82 s SER 193 N -0.33 1.28 0.35 2.53 1.04 -1.26 -4.84 113.70 112.47 3g82 s SER 193 Ca 0.49 0.66 0.18 0.00 0.48 0.00 0.00 55.95 57.76 3g82 s SER 193 Cb -0.32 -0.93 0.49 0.00 0.10 0.00 0.00 66.02 65.36 3g82 s SER 193 CO 0.38 -3.91 1.64 0.44 0.98 0.00 0.00 173.24 172.78 3g82 h ASP 194 N -2.43 0.00 -0.12 7.02 3.32 -1.99 -2.38 116.42 119.83 3g82 h ASP 194 Ca -0.46 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.45 3g82 h ASP 194 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 3g82 h ASP 194 CO 0.37 0.40 -0.43 -0.61 -1.72 0.00 0.00 179.24 177.25 3g82 h GLN 195 N 0.00 0.66 -0.58 3.56 5.75 -1.93 -2.60 115.11 119.96 3g82 h GLN 195 Ca -0.00 -0.36 0.03 0.00 -0.15 0.00 0.00 58.65 58.16 3g82 h GLN 195 Cb 1.06 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.59 3g82 h GLN 195 CO 0.05 0.97 0.36 -0.44 -2.65 0.00 0.00 178.83 177.12 3g82 h ASP 196 N 0.54 0.58 -0.82 -0.69 5.19 -1.86 -0.88 116.42 118.48 3g82 h ASP 196 Ca 0.04 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.51 3g82 h ASP 196 Cb 0.97 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.30 3g82 h ASP 196 CO 0.09 0.41 0.54 -0.07 -3.12 0.00 0.00 179.24 177.08 3g82 h LEU 197 N 0.71 0.81 -0.02 1.55 3.38 -1.30 -0.99 115.31 119.44 3g82 h LEU 197 Ca 0.23 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 3g82 h LEU 197 Cb 0.02 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.61 3g82 h LEU 197 CO -0.10 0.53 -0.73 -0.07 0.09 0.00 0.00 178.44 178.16 3g82 h LEU 198 N 0.93 0.68 -1.37 1.67 3.38 -1.07 -3.26 115.31 116.28 3g82 h LEU 198 Ca 0.35 -0.73 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3g82 h LEU 198 Cb 0.18 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3g82 h LEU 198 CO -0.12 1.32 -0.15 0.03 0.09 0.00 0.00 178.44 179.61 3g82 h ARG 199 N 0.11 0.00 -6.59 1.13 2.47 -0.85 -3.44 114.38 107.20 3g82 h ARG 199 Ca -0.09 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.07 3g82 h ARG 199 Cb 1.41 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 29.80 3g82 h ARG 199 CO 0.15 0.15 0.78 0.00 0.56 0.00 0.00 179.97 181.61 3g82 s ARG 201 N 0.34 2.89 0.02 0.00 3.00 -1.26 -5.03 118.95 118.91 3g82 s ARG 201 Ca 0.73 -0.92 0.07 0.00 -1.00 0.00 0.00 55.73 54.61 3g82 s ARG 201 Cb -0.62 -2.79 -0.02 0.00 0.00 0.00 0.00 34.95 31.52 3g82 s ARG 201 CO 0.42 -0.31 -0.20 0.08 0.00 0.00 0.00 175.30 175.29 3g82 s VAL 202 N 1.30 1.57 0.28 7.11 1.01 -1.26 -4.92 120.40 125.48 3g82 s VAL 202 Ca 0.02 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 3g82 s VAL 202 Cb -0.15 -1.34 -0.10 0.00 0.00 0.00 0.00 36.38 34.79 3g82 s VAL 202 CO -0.08 0.27 1.10 -0.22 0.00 0.00 0.00 175.10 176.17 3g82 s LEU 203 N -0.92 4.54 -0.25 3.92 0.20 -1.26 -5.03 118.68 119.89 3g82 s LEU 203 Ca 0.07 2.27 -0.12 0.00 0.69 0.00 0.00 54.13 57.04 3g82 s LEU 203 Cb -0.08 -3.64 -0.05 0.00 -0.43 0.00 0.00 46.19 41.99 3g82 s LEU 203 CO 0.01 -0.15 0.25 -0.89 -0.29 0.00 0.00 176.35 175.28 3g82 s THR 204 N -1.17 5.28 -0.23 3.68 2.01 -1.26 -5.06 115.64 118.89 3g82 s THR 204 Ca 0.45 0.35 -0.02 0.00 0.31 0.00 0.00 61.69 62.78 3g82 s THR 204 Cb -0.32 -3.59 0.07 0.00 0.01 0.00 0.00 72.50 68.68 3g82 s THR 204 CO 0.41 0.27 0.05 -0.94 -0.69 0.00 0.00 174.62 173.72 3g82 s SER 205 N 1.32 3.27 0.00 3.53 1.04 -1.26 -3.90 113.70 117.70 3g82 s SER 205 Ca 0.11 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.47 3g82 s SER 205 Cb -0.15 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.31 3g82 s SER 205 CO 0.08 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.57 3g82 n GLY 206 N 5.00 0.26 2.81 7.32 0.00 -1.26 -4.96 105.19 114.36 3g82 n GLY 206 Ca -0.07 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 43.74 3g82 n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g82 s ILE 207 N 0.00 0.05 -0.10 -0.61 1.01 -1.26 -3.02 121.20 117.27 3g82 s ILE 207 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.79 3g82 s ILE 207 Cb 0.00 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.34 3g82 s ILE 207 CO 0.00 0.09 -0.21 -0.36 0.00 0.00 0.00 174.94 174.46 3g82 s PHE 208 N 0.77 2.33 -0.37 3.97 0.40 -0.26 -4.97 117.98 119.86 3g82 s PHE 208 Ca -0.07 -1.01 -0.03 0.00 -0.60 0.00 0.00 56.93 55.22 3g82 s PHE 208 Cb -0.10 -1.59 0.08 0.00 0.51 0.00 0.00 43.02 41.92 3g82 s PHE 208 CO -0.02 -0.44 0.14 -2.00 0.70 0.00 0.00 175.22 173.60 3g82 s GLU 209 N 0.56 2.23 -0.16 0.44 2.12 -1.26 -1.84 118.70 120.78 3g82 s GLU 209 Ca -0.15 -1.57 -0.02 0.00 0.36 0.00 0.00 54.97 53.59 3g82 s GLU 209 Cb -0.17 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 3g82 s GLU 209 CO 0.05 -0.89 -0.08 0.99 -0.54 0.00 0.00 175.26 174.79 3g82 s THR 210 N 1.22 3.37 -0.08 -1.70 2.01 -1.12 -5.00 115.64 114.33 3g82 s THR 210 Ca 0.03 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 3g82 s THR 210 Cb -0.22 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 3g82 s THR 210 CO -0.02 0.49 0.19 -0.54 -0.69 0.00 0.00 174.62 174.05 3g82 s LYS 211 N 0.67 3.51 0.26 4.92 1.02 -1.26 -2.72 119.74 126.14 3g82 s LYS 211 Ca -0.04 -0.07 -0.03 0.00 0.02 0.00 0.00 55.97 55.85 3g82 s LYS 211 Cb -0.15 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.96 3g82 s LYS 211 CO 0.02 0.75 0.29 -0.59 -0.92 0.00 0.00 175.35 174.90 3g82 s PHE 212 N -1.09 1.06 -0.02 3.18 -0.71 -0.38 -5.02 117.98 114.99 3g82 s PHE 212 Ca 0.18 -1.26 0.00 0.00 -1.04 0.00 0.00 56.93 54.81 3g82 s PHE 212 Cb -0.13 -0.33 0.02 0.00 -1.21 0.00 0.00 43.02 41.37 3g82 s PHE 212 CO 0.08 -0.84 0.01 -1.14 -1.34 0.00 0.00 175.22 171.98 3g82 s GLN 213 N -3.82 0.14 -0.12 1.99 0.74 -1.26 -0.50 119.66 116.84 3g82 s GLN 213 Ca 0.34 0.09 -0.01 0.00 0.05 0.00 0.00 55.36 55.83 3g82 s GLN 213 Cb 0.03 -0.32 0.03 0.00 1.10 0.00 0.00 33.01 33.85 3g82 s GLN 213 CO 0.15 -0.11 -0.04 0.08 -0.55 0.00 0.00 175.29 174.82 3g82 s VAL 214 N 0.81 0.85 -1.36 1.34 1.01 -0.46 -4.80 120.40 117.79 3g82 s VAL 214 Ca -0.08 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 3g82 s VAL 214 Cb -0.11 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.33 3g82 s VAL 214 CO -0.02 0.25 0.99 0.47 0.00 0.00 0.00 175.10 176.79 3g82 n ASP 215 N 4.99 -3.96 -1.62 3.32 9.92 -1.26 -1.79 116.55 126.14 3g82 n ASP 215 Ca -0.11 -0.68 -0.19 0.00 -0.53 0.00 0.00 54.79 53.28 3g82 n ASP 215 Cb 0.49 -4.53 -0.07 0.00 -0.64 0.00 0.00 41.12 36.37 3g82 n ASP 215 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3g82 n LYS 216 N -4.59 -1.39 -3.89 -1.24 5.02 -1.26 -4.99 118.16 105.82 3g82 n LYS 216 Ca -0.11 1.14 -0.35 0.00 -2.02 0.00 0.00 58.31 56.97 3g82 n LYS 216 Cb 0.60 -5.51 -0.14 0.00 -0.02 0.00 0.00 35.03 29.96 3g82 n LYS 216 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3g82 s VAL 217 N -2.77 3.40 -0.09 -0.18 1.01 -0.74 -4.84 120.40 116.20 3g82 s VAL 217 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 3g82 s VAL 217 Cb 0.00 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 3g82 s VAL 217 CO 0.00 0.32 0.95 0.20 0.00 0.00 0.00 175.10 176.58 3g82 s ASN 218 N 1.46 7.22 -0.12 3.32 0.01 -1.12 -1.36 114.94 124.35 3g82 s ASN 218 Ca 0.04 1.49 0.01 0.00 -0.71 0.00 0.00 52.86 53.69 3g82 s ASN 218 Cb -0.15 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 38.96 3g82 s ASN 218 CO -0.02 -0.37 -0.15 -0.36 -1.51 0.00 0.00 177.10 174.69 3g82 s PHE 219 N 1.70 2.76 -0.22 2.20 0.40 0.35 -1.75 117.98 123.41 3g82 s PHE 219 Ca 0.47 -0.66 -0.09 0.00 -0.60 0.00 0.00 56.93 56.05 3g82 s PHE 219 Cb -0.19 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 3g82 s PHE 219 CO 0.20 -0.20 0.11 -1.01 0.70 0.00 0.00 175.22 175.01 3g82 s HIS 220 N 0.24 3.28 -0.15 0.36 3.76 -1.14 -1.25 115.29 120.38 3g82 s HIS 220 Ca -0.10 0.11 0.01 0.00 -0.15 0.00 0.00 55.06 54.92 3g82 s HIS 220 Cb -0.16 -2.19 -0.00 0.00 1.11 0.00 0.00 32.58 31.34 3g82 s HIS 220 CO 0.06 0.07 -0.16 1.41 -0.85 0.00 0.00 174.74 175.27 3g82 s MET 221 N 0.81 3.20 -0.21 1.40 1.75 -1.10 -0.01 119.30 125.14 3g82 s MET 221 Ca 0.06 -0.76 -0.06 0.00 -1.25 0.00 0.00 55.69 53.68 3g82 s MET 221 Cb -0.13 -2.60 -0.03 0.00 2.84 0.00 0.00 34.83 34.91 3g82 s MET 221 CO 0.02 0.03 0.02 -0.06 -0.65 0.00 0.00 175.02 174.38 3g82 s PHE 222 N 0.78 3.06 -0.10 4.11 0.08 -0.37 -2.80 117.98 122.75 3g82 s PHE 222 Ca -0.06 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.57 3g82 s PHE 222 Cb -0.15 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.16 3g82 s PHE 222 CO 0.00 -0.24 -0.09 0.34 -0.10 0.00 0.00 175.22 175.14 3g82 s ASP 223 N 1.07 4.46 0.09 1.36 2.15 -0.76 -2.35 116.67 122.69 3g82 s ASP 223 Ca 0.03 -0.13 0.02 0.00 0.43 0.00 0.00 52.55 52.90 3g82 s ASP 223 Cb -0.14 -1.34 -0.04 0.00 -0.30 0.00 0.00 42.92 41.10 3g82 s ASP 223 CO 0.02 0.28 -0.08 0.68 -0.17 0.00 0.00 175.17 175.90 3g82 s VAL 224 N -0.32 0.74 0.27 1.11 -7.23 -1.26 -1.11 120.40 112.59 3g82 s VAL 224 Ca 0.04 -1.75 -0.31 0.00 -1.81 0.00 0.00 61.98 58.16 3g82 s VAL 224 Cb -0.13 -1.45 -0.12 0.00 0.56 0.00 0.00 36.38 35.24 3g82 s VAL 224 CO 0.02 -0.73 1.64 0.61 -0.31 0.00 0.00 175.10 176.33 3g82 n GLY 225 N 0.30 1.41 0.83 2.32 0.00 -1.17 -4.92 105.19 103.96 3g82 n GLY 225 Ca -0.14 0.51 0.11 0.00 0.00 0.00 0.00 46.02 46.50 3g82 n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g82 n GLY 226 N 2.70 0.72 3.89 -0.02 0.00 -1.26 -4.39 105.19 106.83 3g82 n GLY 226 Ca 0.11 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 3g82 n GLY 226 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g82 s GLN 227 N -1.95 1.97 0.08 1.61 -0.21 -1.26 -2.87 119.66 117.04 3g82 s GLN 227 Ca 0.25 0.17 -0.21 0.00 0.02 0.00 0.00 55.36 55.59 3g82 s GLN 227 Cb 0.18 -1.95 -0.10 0.00 1.00 0.00 0.00 33.01 32.15 3g82 s GLN 227 CO 0.32 -1.60 1.60 0.00 -2.12 0.00 0.00 175.29 173.49 3g82 h ARG 228 N -1.06 0.26 0.00 2.91 3.08 -2.00 -2.38 114.38 115.19 3g82 h ARG 228 Ca -0.46 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3g82 h ARG 228 Cb 1.32 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3g82 h ARG 228 CO 0.65 0.36 0.00 -0.44 -1.07 0.00 0.00 179.97 179.48 3g82 h ASP 229 N 0.10 0.00 0.40 7.04 5.19 -1.98 -2.53 116.42 124.65 3g82 h ASP 229 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3g82 h ASP 229 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 3g82 h ASP 229 CO -0.00 0.00 -1.12 -0.62 -3.12 0.00 0.00 179.24 174.38 3g82 n GLU 230 N -2.54 0.33 0.27 3.56 -0.58 -0.92 -4.32 120.64 116.44 3g82 n GLU 230 Ca 0.00 -0.01 0.16 0.00 -0.42 0.00 0.00 57.16 56.89 3g82 n GLU 230 Cb 0.17 -1.60 0.66 0.00 -0.57 0.00 0.00 31.44 30.11 3g82 n GLU 230 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3g82 h ARG 231 N 0.00 0.00 -0.28 3.49 3.08 -1.18 -2.99 114.38 116.50 3g82 h ARG 231 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 3g82 h ARG 231 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3g82 h ARG 231 CO 0.00 0.05 0.25 0.07 -1.07 0.00 0.00 179.97 179.26 3g82 h ARG 232 N 0.00 0.00 0.00 0.04 0.11 -1.76 -1.47 114.38 111.30 3g82 h ARG 232 Ca -0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 3g82 h ARG 232 Cb 0.53 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.60 3g82 h ARG 232 CO 0.01 0.00 -0.37 0.87 0.10 0.00 0.00 179.97 180.58 3g82 h LYS 233 N 0.00 0.00 -0.66 0.08 1.57 -1.85 -3.37 116.57 112.34 3g82 h LYS 233 Ca 0.13 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.05 3g82 h LYS 233 Cb 0.62 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.82 3g82 h LYS 233 CO -0.00 0.15 -0.04 -1.49 -0.57 0.00 0.00 179.45 177.50 3g82 h TRP 234 N 0.00 -0.12 -1.37 -1.35 4.06 -1.44 -1.96 115.95 113.77 3g82 h TRP 234 Ca -0.01 0.05 0.43 0.00 2.06 0.00 0.00 58.89 61.42 3g82 h TRP 234 Cb 1.14 0.15 -0.11 0.00 -1.00 0.00 0.00 29.16 29.34 3g82 h TRP 234 CO 0.00 -0.21 0.91 0.97 -3.56 0.00 0.00 178.44 176.55 3g82 h ILE 235 N 0.08 0.17 0.00 1.49 -0.00 -1.75 0.95 117.51 118.45 3g82 h ILE 235 Ca 0.34 -0.03 0.00 0.00 -0.00 0.00 0.00 64.86 65.17 3g82 h ILE 235 Cb 0.57 0.06 0.00 0.00 -0.00 0.00 0.00 36.82 37.45 3g82 h ILE 235 CO -0.60 0.02 0.00 0.00 -0.00 0.00 0.00 178.15 177.57 3g82 n GLN 236 N -4.54 0.14 -0.10 2.19 6.02 -0.74 -1.66 117.38 118.70 3g82 n GLN 236 Ca 0.36 0.05 0.04 0.00 -0.01 0.00 0.00 57.00 57.44 3g82 n GLN 236 Cb 1.44 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 31.26 3g82 n GLN 236 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g82 h PHE 238 N 0.00 0.35 -3.27 0.00 -1.00 -1.47 -3.41 116.94 108.14 3g82 h PHE 238 Ca 0.00 -0.26 -0.57 0.00 2.81 0.00 0.00 57.97 59.95 3g82 h PHE 238 Cb 0.88 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.37 3g82 h PHE 238 CO 0.01 1.37 0.48 1.21 -1.61 0.00 0.00 178.31 179.77 3g82 s ASN 239 N -6.80 7.07 -0.70 2.17 2.47 -1.26 -4.07 114.94 113.82 3g82 s ASN 239 Ca -0.10 1.31 -0.02 0.00 0.42 0.00 0.00 52.86 54.47 3g82 s ASN 239 Cb 0.07 -2.50 -0.02 0.00 -1.45 0.00 0.00 41.25 37.35 3g82 s ASN 239 CO 0.83 -0.44 0.64 0.47 -3.72 0.00 0.00 177.10 174.88 3g82 n ASP 240 N 5.24 -6.38 -4.04 -4.21 8.00 -1.26 -5.06 116.55 108.83 3g82 n ASP 240 Ca 0.06 -0.25 -0.30 0.00 0.71 0.00 0.00 54.79 55.01 3g82 n ASP 240 Cb 0.49 -4.46 -0.16 0.00 -0.02 0.00 0.00 41.12 36.96 3g82 n ASP 240 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3g82 s VAL 241 N -3.12 1.61 0.10 2.53 0.11 -1.26 -4.85 120.40 115.53 3g82 s VAL 241 Ca 0.14 -0.67 -0.21 0.00 -2.93 0.00 0.00 61.98 58.31 3g82 s VAL 241 Cb -0.02 -1.50 -0.11 0.00 -1.53 0.00 0.00 36.38 33.22 3g82 s VAL 241 CO 0.61 0.47 1.73 0.74 -3.33 0.00 0.00 175.10 175.32 3g82 h THR 242 N 6.01 1.05 -2.93 5.04 2.02 -1.39 -3.46 112.91 119.25 3g82 h THR 242 Ca -0.37 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 3g82 h THR 242 Cb 1.15 0.94 -0.14 0.00 -1.74 0.00 0.00 68.15 68.36 3g82 h THR 242 CO 0.53 0.04 0.13 0.00 0.37 0.00 0.00 175.52 176.59 3g82 s ALA 243 N -6.07 -1.45 -0.13 6.16 0.00 -1.23 -4.51 121.76 114.53 3g82 s ALA 243 Ca -0.13 0.50 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 3g82 s ALA 243 Cb 0.07 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 3g82 s ALA 243 CO 0.68 -0.66 0.06 0.42 0.00 0.00 0.00 175.76 176.26 3g82 s ILE 244 N -3.27 4.82 -0.46 0.00 1.01 0.23 -2.64 121.20 120.89 3g82 s ILE 244 Ca -0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 3g82 s ILE 244 Cb -0.00 -3.10 0.10 0.00 0.01 0.00 0.00 42.46 39.47 3g82 s ILE 244 CO -0.09 0.56 0.34 -0.63 0.00 0.00 0.00 174.94 175.13 3g82 s ILE 245 N -0.52 4.51 -0.32 2.92 1.01 0.19 0.77 121.20 129.75 3g82 s ILE 245 Ca 0.10 -1.48 -0.19 0.00 0.00 0.00 0.00 60.65 59.09 3g82 s ILE 245 Cb -0.12 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 3g82 s ILE 245 CO 0.02 -0.65 0.55 0.12 0.00 0.00 0.00 174.94 174.99 3g82 s PHE 246 N 1.46 3.20 -0.05 3.97 5.36 -0.17 0.43 117.98 132.19 3g82 s PHE 246 Ca 0.04 0.39 -0.09 0.00 -0.96 0.00 0.00 56.93 56.31 3g82 s PHE 246 Cb -0.25 -2.92 -0.05 0.00 -0.34 0.00 0.00 43.02 39.46 3g82 s PHE 246 CO 0.02 -0.48 0.25 0.08 -1.46 0.00 0.00 175.22 173.63 3g82 s VAL 247 N 2.47 5.32 -0.03 3.12 1.01 0.22 0.44 120.40 132.95 3g82 s VAL 247 Ca 0.21 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.55 3g82 s VAL 247 Cb -0.15 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.72 3g82 s VAL 247 CO 0.12 0.53 -0.00 -0.69 0.00 0.00 0.00 175.10 175.06 3g82 s VAL 248 N -1.13 0.17 -1.08 2.92 1.01 -0.80 -4.11 120.40 117.39 3g82 s VAL 248 Ca 0.21 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 62.05 3g82 s VAL 248 Cb -0.14 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.01 3g82 s VAL 248 CO 0.10 0.14 1.63 0.00 0.00 0.00 0.00 175.10 176.98 3g82 s ALA 249 N 0.95 2.62 0.56 5.51 0.00 -1.26 0.40 121.76 130.53 3g82 s ALA 249 Ca -0.10 -2.29 0.29 0.00 0.00 0.00 0.00 51.96 49.87 3g82 s ALA 249 Cb -0.13 -4.57 1.46 0.00 0.00 0.00 0.00 23.12 19.88 3g82 s ALA 249 CO -0.02 -3.86 1.91 0.77 0.00 0.00 0.00 175.76 174.57 3g82 h SER 250 N 9.50 0.00 1.49 0.00 0.02 -1.35 -1.75 113.55 121.47 3g82 h SER 250 Ca 0.24 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3g82 h SER 250 Cb 0.97 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 3g82 h SER 250 CO 1.39 0.00 -0.10 0.77 -1.14 0.00 0.00 176.83 177.74 3g82 h SER 251 N 0.00 0.00 -0.23 3.07 4.64 -1.75 -3.37 113.55 115.91 3g82 h SER 251 Ca 0.31 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.48 3g82 h SER 251 Cb 1.36 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.38 3g82 h SER 251 CO -0.00 0.10 0.19 -1.20 -0.87 0.00 0.00 176.83 175.05 3g82 n SER 252 N -3.16 4.95 0.09 4.97 7.64 -0.66 -4.16 113.62 123.29 3g82 n SER 252 Ca 0.02 -2.61 -0.04 0.00 1.01 0.00 0.00 58.87 57.25 3g82 n SER 252 Cb 0.48 -0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 3g82 n SER 252 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 3g82 h TYR 253 N 0.88 0.00 -0.41 1.43 -0.00 -1.82 -3.15 116.97 113.91 3g82 h TYR 253 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.87 3g82 h TYR 253 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.85 3g82 h TYR 253 CO 0.46 0.85 0.00 0.27 -0.00 0.00 0.00 178.16 179.74 3g82 n ASN 254 N -3.36 2.33 -4.28 0.10 6.94 -1.26 -4.85 115.26 110.89 3g82 n ASN 254 Ca 0.00 -1.96 -0.19 0.00 -0.02 0.00 0.00 54.58 52.41 3g82 n ASN 254 Cb 0.86 -0.27 -0.11 0.00 -2.36 0.00 0.00 39.78 37.90 3g82 n ASN 254 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3g82 s MET 255 N -1.46 1.12 0.24 -3.83 -1.94 -1.19 -4.77 119.30 107.47 3g82 s MET 255 Ca 0.30 -1.31 0.10 0.00 -1.71 0.00 0.00 55.69 53.07 3g82 s MET 255 Cb 0.16 -1.05 -0.04 0.00 2.01 0.00 0.00 34.83 35.90 3g82 s MET 255 CO 0.21 0.20 -0.10 0.14 -0.01 0.00 0.00 175.02 175.47 3g82 s VAL 256 N -2.16 3.05 0.69 -6.03 -7.23 -1.26 -1.21 120.40 106.25 3g82 s VAL 256 Ca 0.12 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.21 3g82 s VAL 256 Cb -0.05 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.32 3g82 s VAL 256 CO 0.04 -0.28 1.07 0.27 -0.31 0.00 0.00 175.10 175.89 3g82 s ILE 257 N -2.12 3.87 0.30 -0.62 -5.25 -0.34 -4.73 121.20 112.30 3g82 s ILE 257 Ca 0.28 0.65 0.12 0.00 -0.99 0.00 0.00 60.65 60.71 3g82 s ILE 257 Cb -0.07 -3.31 0.02 0.00 2.95 0.00 0.00 42.46 42.05 3g82 s ILE 257 CO 0.16 -0.75 1.68 0.03 -1.79 0.00 0.00 174.94 174.28 3g82 h ARG 258 N -0.58 0.00 -0.19 0.37 3.08 -1.97 -2.02 114.38 113.07 3g82 h ARG 258 Ca -0.44 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.65 3g82 h ARG 258 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 3g82 h ARG 258 CO 0.56 0.53 0.13 0.93 -1.07 0.00 0.00 179.97 181.05 3g82 h GLU 259 N 0.00 0.08 0.00 0.04 3.07 -1.97 -3.32 114.58 112.47 3g82 h GLU 259 Ca -0.01 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3g82 h GLU 259 Cb 0.96 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3g82 h GLU 259 CO 0.07 0.05 0.00 -0.40 -1.40 0.00 0.00 179.01 177.33 3g82 n ASP 260 N -4.50 0.00 -2.35 1.42 5.68 -1.25 -5.05 116.55 110.50 3g82 n ASP 260 Ca 0.01 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.15 3g82 n ASP 260 Cb 0.21 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.23 3g82 n ASP 260 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3g82 n ASN 261 N 0.00 -4.76 0.00 -1.12 3.02 -0.76 -4.87 115.26 106.77 3g82 n ASN 261 Ca 0.00 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 3g82 n ASN 261 Cb 0.00 -3.45 0.00 0.00 -0.61 0.00 0.00 39.78 35.72 3g82 n ASN 261 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g82 n GLN 262 N -3.25 0.00 -2.22 3.52 6.02 -1.26 -4.99 117.38 115.20 3g82 n GLN 262 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.54 3g82 n GLN 262 Cb 0.55 -0.16 -0.03 0.00 1.02 0.00 0.00 30.24 31.62 3g82 n GLN 262 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3g82 s THR 263 N -1.35 3.70 0.18 5.09 2.01 -1.26 -4.86 115.64 119.15 3g82 s THR 263 Ca 0.00 1.09 -0.33 0.00 0.31 0.00 0.00 61.69 62.76 3g82 s THR 263 Cb 0.00 -3.70 -0.14 0.00 0.01 0.00 0.00 72.50 68.67 3g82 s THR 263 CO 0.00 -0.00 1.46 -3.20 -0.69 0.00 0.00 174.62 172.18 3g82 n ASN 264 N 5.36 2.64 -0.01 3.53 2.85 -1.26 -1.20 115.26 127.16 3g82 n ASN 264 Ca 0.13 1.11 -0.11 0.00 -0.11 0.00 0.00 54.58 55.61 3g82 n ASN 264 Cb 0.44 -1.38 -0.05 0.00 1.24 0.00 0.00 39.78 40.03 3g82 n ASN 264 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3g82 h ARG 265 N 4.97 0.17 -0.11 1.20 3.08 -1.33 0.12 114.38 122.49 3g82 h ARG 265 Ca -0.45 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 3g82 h ARG 265 Cb 1.28 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3g82 h ARG 265 CO 0.81 0.12 0.01 1.25 -1.07 0.00 0.00 179.97 181.09 3g82 h LEU 266 N 0.17 0.19 -0.52 3.04 5.85 -1.78 -0.05 115.31 122.20 3g82 h LEU 266 Ca 0.05 -0.30 0.10 0.00 0.84 0.00 0.00 57.88 58.57 3g82 h LEU 266 Cb -0.01 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 40.89 3g82 h LEU 266 CO -0.01 0.44 0.00 -0.61 -0.34 0.00 0.00 178.44 177.92 3g82 h GLN 267 N -0.07 0.12 -0.42 1.25 5.75 -1.89 0.41 115.11 120.26 3g82 h GLN 267 Ca 0.03 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.61 3g82 h GLN 267 Cb 0.34 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.78 3g82 h GLN 267 CO 0.00 0.08 -0.16 1.49 -2.65 0.00 0.00 178.83 177.59 3g82 h GLU 268 N 0.12 -0.07 -0.44 1.69 4.57 -0.78 -1.05 114.58 118.62 3g82 h GLU 268 Ca 0.26 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 3g82 h GLU 268 Cb 0.40 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 3g82 h GLU 268 CO -0.43 -0.05 0.25 0.00 -1.18 0.00 0.00 179.01 177.60 3g82 h ALA 269 N 1.27 1.61 -0.20 2.92 0.00 0.13 -0.10 119.26 124.89 3g82 h ALA 269 Ca 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3g82 h ALA 269 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3g82 h ALA 269 CO -0.47 0.33 -0.04 -0.07 0.00 0.00 0.00 179.25 179.00 3g82 h LEU 270 N 0.61 0.38 -0.28 0.00 3.38 0.48 -1.40 115.31 118.48 3g82 h LEU 270 Ca 0.16 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3g82 h LEU 270 Cb 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3g82 h LEU 270 CO -0.03 0.65 -0.05 0.78 0.09 0.00 0.00 178.44 179.89 3g82 h ASN 271 N 0.11 0.53 -0.90 -0.43 4.21 -0.84 -0.63 115.58 117.62 3g82 h ASN 271 Ca 0.05 -0.35 0.05 0.00 1.21 0.00 0.00 56.30 57.26 3g82 h ASN 271 Cb 0.48 -0.14 -0.06 0.00 -1.12 0.00 0.00 38.32 37.48 3g82 h ASN 271 CO 0.02 0.76 0.58 0.25 -1.29 0.00 0.00 177.43 177.74 3g82 h LEU 272 N 0.29 0.93 -0.54 1.61 5.85 -1.07 0.48 115.31 122.86 3g82 h LEU 272 Ca 0.07 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3g82 h LEU 272 Cb 0.52 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3g82 h LEU 272 CO 0.02 0.61 0.15 0.15 -0.34 0.00 0.00 178.44 179.03 3g82 h PHE 273 N 1.07 0.90 -0.89 1.25 3.57 -1.11 -1.73 116.94 120.01 3g82 h PHE 273 Ca 0.38 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 3g82 h PHE 273 Cb 0.11 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 3g82 h PHE 273 CO -0.02 0.77 0.48 -0.22 -2.23 0.00 0.00 178.31 177.10 3g82 h LYS 274 N 0.76 1.24 -0.21 1.11 3.64 -0.13 0.24 116.57 123.22 3g82 h LYS 274 Ca 0.17 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3g82 h LYS 274 Cb 0.31 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3g82 h LYS 274 CO -0.00 0.91 -0.00 0.77 -2.27 0.00 0.00 179.45 178.85 3g82 h SER 275 N 1.25 0.28 0.18 4.20 0.02 0.20 -2.05 113.55 117.62 3g82 h SER 275 Ca 0.31 -0.04 -0.36 0.00 -0.84 0.00 0.00 61.79 60.87 3g82 h SER 275 Cb 0.03 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 3g82 h SER 275 CO -0.05 0.34 -1.84 0.40 -1.14 0.00 0.00 176.83 174.53 3g82 h ILE 276 N 0.30 0.82 -0.61 3.27 1.08 -0.53 -3.18 117.51 118.66 3g82 h ILE 276 Ca 0.07 -2.46 0.05 0.00 -0.39 0.00 0.00 64.86 62.14 3g82 h ILE 276 Cb 0.21 2.66 -0.05 0.00 -3.07 0.00 0.00 36.82 36.57 3g82 h ILE 276 CO 0.00 0.87 0.33 -0.25 -0.69 0.00 0.00 178.15 178.41 3g82 h TRP 277 N 0.09 0.60 -0.75 1.37 2.91 -0.52 -2.93 115.95 116.73 3g82 h TRP 277 Ca -0.37 0.02 -0.21 0.00 1.13 0.00 0.00 58.89 59.46 3g82 h TRP 277 Cb 2.07 -0.18 -0.13 0.00 -0.51 0.00 0.00 29.16 30.42 3g82 h TRP 277 CO 0.09 0.29 0.27 0.09 -1.03 0.00 0.00 178.44 178.15 3g82 n ASN 278 N -4.82 4.93 -4.77 2.65 3.02 -0.78 -4.76 115.26 110.72 3g82 n ASN 278 Ca 0.07 -3.22 -0.33 0.00 -0.03 0.00 0.00 54.58 51.07 3g82 n ASN 278 Cb 0.16 -0.75 0.04 0.00 -0.61 0.00 0.00 39.78 38.62 3g82 n ASN 278 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3g82 s ASN 279 N -1.01 5.18 0.00 6.41 3.84 -1.11 -4.96 114.94 123.29 3g82 s ASN 279 Ca 0.56 1.97 0.27 0.00 0.21 0.00 0.00 52.86 55.87 3g82 s ASN 279 Cb 0.44 -2.55 0.94 0.00 -0.55 0.00 0.00 41.25 39.53 3g82 s ASN 279 CO 0.14 -1.58 1.72 -2.11 -2.79 0.00 0.00 177.10 172.48 3g82 n ARG 280 N -2.39 0.00 -0.03 0.43 1.85 -1.26 -3.47 116.66 111.78 3g82 n ARG 280 Ca 0.10 -0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.00 3g82 n ARG 280 Cb 0.52 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.50 3g82 n ARG 280 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 3g82 n TRP 281 N -1.50 0.00 -2.05 2.89 8.01 -1.26 -4.64 117.44 118.89 3g82 n TRP 281 Ca 0.06 -0.73 0.04 0.00 -1.31 0.00 0.00 57.50 55.57 3g82 n TRP 281 Cb 0.34 -0.10 0.06 0.00 -2.01 0.00 0.00 31.31 29.60 3g82 n TRP 281 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 3g82 n LEU 282 N -0.92 1.16 0.12 -0.99 4.77 -1.23 -4.85 117.00 115.06 3g82 n LEU 282 Ca 0.07 -2.17 0.04 0.00 -0.03 0.00 0.00 56.01 53.93 3g82 n LEU 282 Cb 0.43 -0.14 0.46 0.00 -2.33 0.00 0.00 43.42 41.84 3g82 n LEU 282 CO 0.01 0.61 1.02 0.03 -1.33 0.00 0.00 177.39 177.72 3g82 h ARG 283 N 0.62 0.27 0.00 3.23 2.47 -1.82 -3.23 114.38 115.91 3g82 h ARG 283 Ca -0.10 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 3g82 h ARG 283 Cb 1.51 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.78 3g82 h ARG 283 CO 0.04 0.27 -1.43 2.41 0.56 0.00 0.00 179.97 181.83 3g82 n THR 284 N -4.40 0.06 -2.29 2.04 -1.04 -1.26 -3.44 114.28 103.95 3g82 n THR 284 Ca -0.00 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.36 3g82 n THR 284 Cb 0.16 0.17 -0.02 0.00 -1.82 0.00 0.00 70.33 68.82 3g82 n THR 284 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3g82 s ILE 285 N -2.58 4.00 0.49 12.58 1.01 -1.22 -4.30 121.20 131.17 3g82 s ILE 285 Ca -0.03 1.27 -0.14 0.00 0.00 0.00 0.00 60.65 61.74 3g82 s ILE 285 Cb 0.05 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.64 3g82 s ILE 285 CO 0.37 -0.07 0.92 -0.44 0.00 0.00 0.00 174.94 175.72 3g82 s SER 286 N 2.20 6.56 -0.14 3.58 0.01 -1.26 -4.69 113.70 119.95 3g82 s SER 286 Ca 0.61 1.42 0.02 0.00 1.31 0.00 0.00 55.95 59.30 3g82 s SER 286 Cb -0.27 -2.45 0.01 0.00 0.21 0.00 0.00 66.02 63.53 3g82 s SER 286 CO 0.21 -0.55 -0.20 -0.69 0.41 0.00 0.00 173.24 172.43 3g82 s VAL 287 N -2.59 1.90 -0.47 3.43 1.01 0.15 -0.60 120.40 123.22 3g82 s VAL 287 Ca 0.56 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 3g82 s VAL 287 Cb -0.10 -1.70 0.05 0.00 0.00 0.00 0.00 36.38 34.62 3g82 s VAL 287 CO 0.33 0.52 0.52 -0.63 0.00 0.00 0.00 175.10 175.84 3g82 s ILE 288 N 0.98 5.01 -0.19 2.22 1.01 0.23 -1.37 121.20 129.09 3g82 s ILE 288 Ca -0.04 -0.51 -0.26 0.00 0.00 0.00 0.00 60.65 59.83 3g82 s ILE 288 Cb -0.15 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.13 3g82 s ILE 288 CO -0.04 -0.63 0.89 -0.22 0.00 0.00 0.00 174.94 174.93 3g82 s LEU 289 N 2.30 4.15 -0.90 2.97 2.96 -0.11 -1.00 118.68 129.06 3g82 s LEU 289 Ca 0.13 1.23 -0.04 0.00 -0.22 0.00 0.00 54.13 55.22 3g82 s LEU 289 Cb -0.19 -3.32 0.22 0.00 0.50 0.00 0.00 46.19 43.41 3g82 s LEU 289 CO 0.12 -0.47 0.81 -0.36 -1.32 0.00 0.00 176.35 175.12 3g82 s PHE 290 N 2.44 3.90 -0.70 5.38 0.40 0.17 -1.98 117.98 127.59 3g82 s PHE 290 Ca 0.40 -2.85 -0.26 0.00 -0.60 0.00 0.00 56.93 53.62 3g82 s PHE 290 Cb -0.16 -3.40 -0.07 0.00 0.51 0.00 0.00 43.02 39.89 3g82 s PHE 290 CO 0.11 -0.81 2.18 -0.51 0.70 0.00 0.00 175.22 176.89 3g82 s LEU 291 N -1.07 3.17 0.62 -0.37 1.43 -0.27 -1.90 118.68 120.28 3g82 s LEU 291 Ca 0.26 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 3g82 s LEU 291 Cb -0.10 -2.54 0.09 0.00 0.03 0.00 0.00 46.19 43.68 3g82 s LEU 291 CO -0.10 -3.03 0.86 0.21 0.23 0.00 0.00 176.35 174.51 3g82 s ASN 292 N 9.95 4.85 -1.29 2.29 2.47 0.16 -0.89 114.94 132.48 3g82 s ASN 292 Ca 0.83 -0.44 -0.04 0.00 0.42 0.00 0.00 52.86 53.62 3g82 s ASN 292 Cb -0.12 -0.14 0.01 0.00 -1.45 0.00 0.00 41.25 39.54 3g82 s ASN 292 CO 0.13 -1.49 1.08 0.29 -3.72 0.00 0.00 177.10 173.39 3g82 n LYS 293 N -2.49 -7.19 -0.19 0.43 5.02 -0.89 -1.05 118.16 111.79 3g82 n LYS 293 Ca 0.13 0.83 -0.09 0.00 -2.02 0.00 0.00 58.31 57.16 3g82 n LYS 293 Cb 0.61 -5.85 0.03 0.00 -0.02 0.00 0.00 35.03 29.79 3g82 n LYS 293 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3g82 h GLN 294 N -2.28 1.04 0.35 1.97 1.08 -1.72 -0.92 115.11 114.63 3g82 h GLN 294 Ca -0.58 -0.36 -0.01 0.00 -1.45 0.00 0.00 58.65 56.25 3g82 h GLN 294 Cb 1.36 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.69 3g82 h GLN 294 CO 0.53 1.05 -0.27 0.38 -0.95 0.00 0.00 178.83 179.58 3g82 h ASP 295 N 0.94 -0.70 -0.91 1.46 2.03 -1.92 0.78 116.42 118.10 3g82 h ASP 295 Ca 0.15 0.05 0.07 0.00 -0.73 0.00 0.00 57.03 56.58 3g82 h ASP 295 Cb 0.62 0.23 -0.06 0.00 -0.83 0.00 0.00 39.33 39.29 3g82 h ASP 295 CO 0.04 -0.41 0.59 -0.07 -1.03 0.00 0.00 179.24 178.36 3g82 h LEU 296 N -0.62 0.88 0.73 0.15 3.38 -1.92 -1.35 115.31 116.57 3g82 h LEU 296 Ca -0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3g82 h LEU 296 Cb 0.54 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.12 3g82 h LEU 296 CO -0.01 0.55 -0.35 0.25 0.09 0.00 0.00 178.44 178.97 3g82 h LEU 297 N 0.99 -0.83 -0.88 1.67 5.85 -0.94 -2.51 115.31 118.67 3g82 h LEU 297 Ca 0.40 0.03 0.23 0.00 0.84 0.00 0.00 57.88 59.37 3g82 h LEU 297 Cb 0.26 0.22 -0.15 0.00 0.37 0.00 0.00 40.66 41.35 3g82 h LEU 297 CO -0.16 -0.55 0.08 0.00 -0.34 0.00 0.00 178.44 177.47 3g82 h ALA 298 N -1.46 1.06 -0.00 1.25 0.00 -0.36 0.15 119.26 119.90 3g82 h ALA 298 Ca -0.10 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3g82 h ALA 298 Cb 0.75 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3g82 h ALA 298 CO 0.17 -0.49 -0.00 1.49 0.00 0.00 0.00 179.25 180.42 3g82 h GLU 299 N 0.10 0.00 -0.76 0.00 4.81 -1.31 0.28 114.58 117.70 3g82 h GLU 299 Ca 0.52 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.85 3g82 h GLU 299 Cb 1.02 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.33 3g82 h GLU 299 CO -0.76 0.33 0.40 0.87 -0.73 0.00 0.00 179.01 179.12 3g82 h LYS 300 N -0.33 0.65 0.84 1.92 1.57 -0.66 0.27 116.57 120.83 3g82 h LYS 300 Ca 0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3g82 h LYS 300 Cb 0.33 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.50 3g82 h LYS 300 CO 0.00 0.43 -0.40 0.28 -0.57 0.00 0.00 179.45 179.19 3g82 h VAL 301 N 0.67 0.00 -0.69 0.50 2.07 -0.69 -3.16 116.25 114.95 3g82 h VAL 301 Ca 0.38 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.85 3g82 h VAL 301 Cb 0.39 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 3g82 h VAL 301 CO -0.27 0.00 0.39 -0.07 0.02 0.00 0.00 177.57 177.64 3g82 h LEU 302 N -1.23 0.59 -0.92 2.57 3.38 -0.42 -1.60 115.31 117.68 3g82 h LEU 302 Ca -0.12 0.03 0.11 0.00 0.09 0.00 0.00 57.88 57.99 3g82 h LEU 302 Cb 0.86 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 3g82 h LEU 302 CO 0.19 0.38 0.55 0.00 0.09 0.00 0.00 178.44 179.65 3g82 h ALA 303 N 1.35 1.35 -2.05 1.53 0.00 -1.07 -3.47 119.26 116.90 3g82 h ALA 303 Ca 0.31 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 3g82 h ALA 303 Cb 0.18 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 17.82 3g82 h ALA 303 CO -0.18 0.16 -0.20 0.41 0.00 0.00 0.00 179.25 179.45 3g82 n GLY 304 N -1.33 0.39 0.00 0.00 0.00 -0.60 -5.02 105.19 98.62 3g82 n GLY 304 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3g82 n GLY 304 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g82 n LYS 305 N -1.81 0.00 -2.98 1.61 5.02 -1.26 -4.78 118.16 113.96 3g82 n LYS 305 Ca -0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 3g82 n LYS 305 Cb 0.53 -0.30 -0.05 0.00 -0.02 0.00 0.00 35.03 35.19 3g82 n LYS 305 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3g82 s SER 306 N -1.01 6.22 0.91 4.39 1.04 -1.26 -5.04 113.70 118.94 3g82 s SER 306 Ca 0.00 -0.94 -0.11 0.00 0.48 0.00 0.00 55.95 55.37 3g82 s SER 306 Cb 0.00 -2.37 0.14 0.00 0.10 0.00 0.00 66.02 63.89 3g82 s SER 306 CO 0.00 -1.20 1.09 -0.54 0.98 0.00 0.00 173.24 173.57 3g82 s LYS 307 N 3.42 1.16 0.09 4.02 -0.14 -1.26 -4.91 119.74 122.11 3g82 s LYS 307 Ca 0.20 0.93 -0.13 0.00 -1.36 0.00 0.00 55.97 55.61 3g82 s LYS 307 Cb -0.18 -1.79 -0.20 0.00 -1.68 0.00 0.00 37.83 33.98 3g82 s LYS 307 CO 0.11 -2.34 1.23 0.82 -0.76 0.00 0.00 175.35 174.41 3g82 h ILE 308 N -1.63 1.28 0.00 2.17 2.04 -1.96 -3.27 117.51 116.14 3g82 h ILE 308 Ca -0.49 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.18 3g82 h ILE 308 Cb 1.28 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 3g82 h ILE 308 CO 0.53 0.68 0.00 -1.84 0.00 0.00 0.00 178.15 177.51 3g82 n GLU 309 N -3.87 0.01 0.12 2.37 0.00 -1.26 -0.97 120.64 117.04 3g82 n GLU 309 Ca -0.10 0.18 0.13 0.00 0.00 0.00 0.00 57.16 57.37 3g82 n GLU 309 Cb 0.85 -1.51 0.33 0.00 0.00 0.00 0.00 31.44 31.10 3g82 n GLU 309 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3g82 h ASP 310 N 0.00 0.00 0.00 -1.84 3.32 -1.95 -3.29 116.42 112.66 3g82 h ASP 310 Ca 0.00 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 3g82 h ASP 310 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3g82 h ASP 310 CO 0.00 0.01 -1.25 -1.22 -1.72 0.00 0.00 179.24 175.07 3g82 n TYR 311 N -2.40 0.00 -3.60 4.55 4.02 -0.99 -4.89 117.16 113.85 3g82 n TYR 311 Ca 0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.54 3g82 n TYR 311 Cb 0.45 -0.28 -0.07 0.00 -0.02 0.00 0.00 39.34 39.42 3g82 n TYR 311 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3g82 s PHE 312 N -2.18 3.52 0.44 -0.72 0.40 -0.15 -4.97 117.98 114.33 3g82 s PHE 312 Ca -0.11 -2.51 0.38 0.00 -0.60 0.00 0.00 56.93 54.09 3g82 s PHE 312 Cb 0.04 -3.39 1.92 0.00 0.51 0.00 0.00 43.02 42.09 3g82 s PHE 312 CO 0.15 -0.88 2.20 -1.00 0.70 0.00 0.00 175.22 176.38 3g82 h PRO 313 N 7.21 0.00 0.00 0.24 0.13 -1.78 -2.81 132.00 134.99 3g82 h PRO 313 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3g82 h PRO 313 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3g82 h PRO 313 CO 0.73 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 177.66 3g82 n GLU 314 N -3.19 0.15 0.22 0.86 0.00 -1.26 -1.73 120.64 115.69 3g82 n GLU 314 Ca -0.02 0.19 0.11 0.00 0.00 0.00 0.00 57.16 57.43 3g82 n GLU 314 Cb 0.18 -1.50 0.45 0.00 0.00 0.00 0.00 31.44 30.56 3g82 n GLU 314 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3g82 h PHE 315 N 0.00 0.00 0.00 -1.84 3.57 -1.85 -3.26 116.94 113.57 3g82 h PHE 315 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3g82 h PHE 315 Cb 0.11 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 3g82 h PHE 315 CO 0.00 0.20 -0.00 0.00 -2.23 0.00 0.00 178.31 176.28 3g82 h ALA 316 N 1.80 1.04 0.00 2.41 0.00 -1.60 -2.69 119.26 120.22 3g82 h ALA 316 Ca -0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3g82 h ALA 316 Cb 0.76 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3g82 h ALA 316 CO 0.03 0.00 -1.82 0.54 0.00 0.00 0.00 179.25 178.00 3g82 n ARG 317 N -3.14 1.35 -2.03 0.00 5.12 -1.23 -5.02 116.66 111.72 3g82 n ARG 317 Ca -0.03 -0.05 -0.42 0.00 -1.93 0.00 0.00 57.85 55.43 3g82 n ARG 317 Cb 0.10 -1.34 -0.03 0.00 -1.16 0.00 0.00 32.46 30.03 3g82 n ARG 317 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3g82 s TYR 318 N -2.55 3.09 0.37 -1.55 5.04 -1.01 -5.05 117.35 115.68 3g82 s TYR 318 Ca -0.06 0.90 0.09 0.00 -2.44 0.00 0.00 57.07 55.56 3g82 s TYR 318 Cb 0.06 -3.81 -0.07 0.00 0.35 0.00 0.00 41.96 38.49 3g82 s TYR 318 CO 0.56 -2.80 -0.02 0.95 -1.34 0.00 0.00 175.55 172.90 3g82 s THR 319 N 0.54 2.27 0.24 4.34 -4.23 -1.26 -5.01 115.64 112.54 3g82 s THR 319 Ca 0.63 -2.06 -0.30 0.00 -1.18 0.00 0.00 61.69 58.79 3g82 s THR 319 Cb -0.41 -2.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.53 3g82 s THR 319 CO 0.37 -0.13 1.35 0.28 -0.54 0.00 0.00 174.62 175.94 3g82 s THR 320 N -2.61 2.96 0.87 3.99 -1.32 -1.26 -5.02 115.64 113.25 3g82 s THR 320 Ca 0.34 0.82 -0.13 0.00 -1.21 0.00 0.00 61.69 61.52 3g82 s THR 320 Cb 0.04 -3.52 0.12 0.00 -1.51 0.00 0.00 72.50 67.62 3g82 s THR 320 CO 0.18 0.14 1.18 -2.16 -2.21 0.00 0.00 174.62 171.75 3g82 s PRO 321 N -0.48 1.44 -0.07 7.08 0.04 -1.26 -5.02 135.00 136.72 3g82 s PRO 321 Ca 0.56 0.12 0.16 0.00 0.04 0.00 0.00 61.00 61.88 3g82 s PRO 321 Cb -0.39 -1.89 -0.22 0.00 0.04 0.00 0.00 34.50 32.04 3g82 s PRO 321 CO 0.42 -1.96 0.48 0.39 0.04 0.00 0.00 177.00 176.37 3g82 n GLU 322 N -3.57 0.65 0.00 4.56 -0.58 -1.26 -3.55 120.64 116.90 3g82 n GLU 322 Ca 0.08 0.14 0.11 0.00 -0.42 0.00 0.00 57.16 57.07 3g82 n GLU 322 Cb 0.60 -1.68 0.57 0.00 -0.57 0.00 0.00 31.44 30.36 3g82 n GLU 322 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3g82 n ASP 323 N -2.85 0.00 -4.65 1.62 5.75 -1.26 -4.84 116.55 110.33 3g82 n ASP 323 Ca -0.20 -0.22 -0.42 0.00 -0.01 0.00 0.00 54.79 53.94 3g82 n ASP 323 Cb 1.01 -0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.87 3g82 n ASP 323 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3g82 s ALA 324 N -2.40 3.41 -0.56 2.12 0.00 -1.23 -4.97 121.76 118.13 3g82 s ALA 324 Ca 0.24 0.90 -0.08 0.00 0.00 0.00 0.00 51.96 53.02 3g82 s ALA 324 Cb 0.15 -3.84 0.14 0.00 0.00 0.00 0.00 23.12 19.57 3g82 s ALA 324 CO 0.30 -1.76 0.42 0.95 0.00 0.00 0.00 175.76 175.68 3g82 s THR 325 N 4.97 4.27 0.72 0.00 -4.23 -1.26 -5.04 115.64 115.07 3g82 s THR 325 Ca 0.80 -2.16 -0.11 0.00 -1.18 0.00 0.00 61.69 59.04 3g82 s THR 325 Cb -0.34 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 69.75 3g82 s THR 325 CO 0.33 -0.83 1.07 -2.84 -0.54 0.00 0.00 174.62 171.81 3g82 s PRO 326 N 0.86 2.70 0.48 3.99 0.02 -1.26 -5.03 135.00 136.75 3g82 s PRO 326 Ca 0.10 1.04 -0.21 0.00 0.02 0.00 0.00 61.00 61.95 3g82 s PRO 326 Cb -0.22 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.26 3g82 s PRO 326 CO -0.03 -1.29 1.06 -1.21 -0.33 0.00 0.00 177.00 175.20 3g82 s GLU 327 N -4.97 3.81 -0.30 5.54 0.41 -1.26 -4.90 118.70 117.02 3g82 s GLU 327 Ca 0.59 1.44 -0.37 0.00 -0.41 0.00 0.00 54.97 56.23 3g82 s GLU 327 Cb -0.15 -2.18 -0.13 0.00 -1.78 0.00 0.00 34.13 29.89 3g82 s GLU 327 CO 0.55 -0.44 2.05 -2.30 -0.49 0.00 0.00 175.26 174.63 3g82 n PRO 328 N -0.82 1.20 -3.01 0.39 -0.02 -1.26 -2.33 135.00 129.16 3g82 n PRO 328 Ca 0.09 0.38 -0.05 0.00 -2.02 0.00 0.00 63.50 61.90 3g82 n PRO 328 Cb 0.52 -2.37 0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3g82 n PRO 328 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g82 n GLY 329 N 5.76 -1.12 3.13 -1.23 0.00 -1.26 -5.04 105.19 105.43 3g82 n GLY 329 Ca 0.36 0.46 -0.31 0.00 0.00 0.00 0.00 46.02 46.53 3g82 n GLY 329 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g82 s GLU 330 N -3.44 2.70 -0.09 1.61 2.12 -0.98 -5.09 118.70 115.52 3g82 s GLU 330 Ca 0.15 -0.74 -0.39 0.00 0.36 0.00 0.00 54.97 54.35 3g82 s GLU 330 Cb -0.02 -2.21 -0.16 0.00 0.26 0.00 0.00 34.13 32.00 3g82 s GLU 330 CO 0.69 -0.03 1.52 -3.47 -0.54 0.00 0.00 175.26 173.43 3g82 n ASP 331 N 4.10 1.91 -0.46 -1.70 -0.08 -1.26 -4.77 116.55 114.28 3g82 n ASP 331 Ca -0.20 1.10 0.38 0.00 -1.51 0.00 0.00 54.79 54.57 3g82 n ASP 331 Cb 0.51 -1.15 0.68 0.00 2.34 0.00 0.00 41.12 43.50 3g82 n ASP 331 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3g82 h PRO 332 N 5.70 0.09 -0.46 -0.67 0.13 -1.99 0.47 132.00 135.27 3g82 h PRO 332 Ca -0.47 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 3g82 h PRO 332 Cb 1.33 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 3g82 h PRO 332 CO 0.86 0.06 -0.17 0.00 -0.23 0.00 0.00 178.00 178.52 3g82 h ARG 333 N 0.09 0.90 -0.26 0.86 3.08 -1.98 0.27 114.38 117.33 3g82 h ARG 333 Ca 0.78 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 60.46 3g82 h ARG 333 Cb 2.64 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 32.63 3g82 h ARG 333 CO -0.27 1.00 0.05 0.28 -1.07 0.00 0.00 179.97 179.96 3g82 h VAL 334 N 0.79 1.22 0.21 2.04 2.07 -1.26 -0.75 116.25 120.57 3g82 h VAL 334 Ca 0.11 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.90 3g82 h VAL 334 Cb 0.71 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3g82 h VAL 334 CO 0.05 0.24 -0.39 0.74 0.02 0.00 0.00 177.57 178.24 3g82 h THR 335 N 0.25 0.21 -0.82 2.57 2.02 -1.33 -1.71 112.91 114.11 3g82 h THR 335 Ca 0.08 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.46 3g82 h THR 335 Cb 0.31 0.21 -0.12 0.00 -1.74 0.00 0.00 68.15 66.81 3g82 h THR 335 CO 0.00 0.00 0.26 -0.09 0.37 0.00 0.00 175.52 176.06 3g82 h ARG 336 N -0.68 0.30 0.07 6.66 2.43 -0.32 -2.16 114.38 120.68 3g82 h ARG 336 Ca 0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3g82 h ARG 336 Cb 0.67 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3g82 h ARG 336 CO -0.17 0.20 -0.03 0.00 -1.51 0.00 0.00 179.97 178.45 3g82 h ALA 337 N 1.68 -0.09 0.00 2.80 0.00 -0.79 -2.18 119.26 120.68 3g82 h ALA 337 Ca 0.49 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3g82 h ALA 337 Cb 0.90 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3g82 h ALA 337 CO -0.55 -0.24 -0.47 1.57 0.00 0.00 0.00 179.25 179.56 3g82 h LYS 338 N -0.71 0.00 0.00 0.00 2.10 -1.14 -0.07 116.57 116.74 3g82 h LYS 338 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3g82 h LYS 338 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 3g82 h LYS 338 CO 0.02 0.47 0.00 1.88 -2.00 0.00 0.00 179.45 179.82 3g82 h TYR 339 N 0.00 0.00 0.09 0.07 0.05 -1.49 0.96 116.97 116.64 3g82 h TYR 339 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 3g82 h TYR 339 Cb 0.85 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.59 3g82 h TYR 339 CO 0.00 0.00 -0.04 0.35 -1.05 0.00 0.00 178.16 177.42 3g82 h PHE 340 N 0.00 -0.11 -0.18 4.88 3.57 -0.52 -2.76 116.94 121.82 3g82 h PHE 340 Ca 0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3g82 h PHE 340 Cb 0.81 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3g82 h PHE 340 CO 0.00 0.43 0.12 0.82 -2.23 0.00 0.00 178.31 177.45 3g82 h ILE 341 N -0.79 0.95 0.22 1.41 2.04 -0.99 -1.35 117.51 119.01 3g82 h ILE 341 Ca -0.01 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3g82 h ILE 341 Cb 0.59 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3g82 h ILE 341 CO 0.02 0.01 -0.11 -0.09 0.00 0.00 0.00 178.15 177.99 3g82 h ARG 342 N 0.07 -0.29 0.00 2.37 2.43 -0.86 -3.24 114.38 114.87 3g82 h ARG 342 Ca 0.08 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3g82 h ARG 342 Cb 0.23 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3g82 h ARG 342 CO -0.01 0.04 -0.14 -0.44 -1.51 0.00 0.00 179.97 177.91 3g82 h ASP 343 N -0.64 0.00 -0.98 -3.80 3.32 -1.14 -1.77 116.42 111.41 3g82 h ASP 343 Ca -0.03 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.03 3g82 h ASP 343 Cb 0.46 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 3g82 h ASP 343 CO 0.05 0.14 0.64 -0.33 -1.72 0.00 0.00 179.24 178.01 3g82 h GLU 344 N 0.00 1.30 0.00 3.56 4.39 -1.28 0.16 114.58 122.71 3g82 h GLU 344 Ca -0.00 -0.09 -0.14 0.00 0.34 0.00 0.00 59.36 59.47 3g82 h GLU 344 Cb 0.48 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3g82 h GLU 344 CO 0.02 0.88 -0.86 0.74 -1.16 0.00 0.00 179.01 178.62 3g82 h PHE 345 N 1.34 0.00 -0.05 4.33 0.04 -1.41 -3.29 116.94 117.89 3g82 h PHE 345 Ca 0.36 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.89 3g82 h PHE 345 Cb -0.13 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.03 3g82 h PHE 345 CO 0.00 0.60 -0.92 -0.07 -0.60 0.00 0.00 178.31 177.33 3g82 h LEU 346 N 0.00 0.79 -0.76 1.54 3.38 -0.95 -2.66 115.31 116.66 3g82 h LEU 346 Ca -0.06 -0.59 0.10 0.00 0.09 0.00 0.00 57.88 57.43 3g82 h LEU 346 Cb 1.51 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 3g82 h LEU 346 CO 0.07 1.38 0.39 0.03 0.09 0.00 0.00 178.44 180.40 3g82 h ARG 347 N 0.39 0.62 -0.13 1.13 3.08 -0.81 1.52 114.38 120.17 3g82 h ARG 347 Ca -0.09 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.94 3g82 h ARG 347 Cb 1.55 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 3g82 h ARG 347 CO 0.18 0.41 0.09 0.82 -1.07 0.00 0.00 179.97 180.40 3g82 h ILE 348 N 0.64 1.01 0.00 2.04 1.08 -1.61 -3.11 117.51 117.55 3g82 h ILE 348 Ca 0.38 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.80 3g82 h ILE 348 Cb 0.42 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 3g82 h ILE 348 CO -0.28 0.02 -1.63 -1.54 -0.69 0.00 0.00 178.15 174.03 3g82 n SER 349 N -4.52 0.42 -0.11 1.72 3.41 0.84 -4.07 113.62 111.31 3g82 n SER 349 Ca -0.01 -0.33 0.14 0.00 -0.26 0.00 0.00 58.87 58.41 3g82 n SER 349 Cb 0.12 1.64 0.65 0.00 -0.26 0.00 0.00 64.21 66.37 3g82 n SER 349 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3g82 n THR 350 N -1.98 0.00 0.00 6.66 -1.04 0.48 -4.25 114.28 114.15 3g82 n THR 350 Ca -0.01 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3g82 n THR 350 Cb 0.48 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 3g82 n THR 350 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g82 n ALA 351 N -0.93 -0.01 -2.17 2.41 0.00 -1.21 -5.01 120.51 113.57 3g82 n ALA 351 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 3g82 n ALA 351 Cb 0.26 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.73 3g82 n ALA 351 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g82 s SER 352 N -2.88 5.00 0.00 0.00 1.04 -1.26 -4.76 113.70 110.84 3g82 s SER 352 Ca 0.00 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.51 3g82 s SER 352 Cb 0.00 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3g82 s SER 352 CO 0.00 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.73 3g82 n GLY 353 N -1.95 2.71 3.37 7.32 0.00 -1.26 -4.89 105.19 110.49 3g82 n GLY 353 Ca 0.08 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 3g82 n GLY 353 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g82 n ASP 354 N 1.91 -6.27 0.00 1.61 8.00 -1.26 -2.90 116.55 117.64 3g82 n ASP 354 Ca 0.00 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.70 3g82 n ASP 354 Cb 0.00 -4.70 0.00 0.00 -0.02 0.00 0.00 41.12 36.40 3g82 n ASP 354 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g82 n GLY 355 N -1.36 0.78 0.13 0.44 0.00 -1.26 -4.85 105.19 99.07 3g82 n GLY 355 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 3g82 n GLY 355 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3g82 h ARG 356 N 1.71 0.35 -5.25 1.61 2.43 -1.82 -3.46 114.38 109.94 3g82 h ARG 356 Ca 0.00 -0.36 -0.47 0.00 -0.81 0.00 0.00 59.98 58.34 3g82 h ARG 356 Cb 0.00 0.10 -0.14 0.00 -0.42 0.00 0.00 29.97 29.51 3g82 h ARG 356 CO 0.00 1.04 -0.62 -3.38 -1.51 0.00 0.00 179.97 175.50 3g82 s HIS 357 N -3.24 1.94 0.07 2.20 -3.43 -1.22 -4.57 115.29 107.04 3g82 s HIS 357 Ca -0.14 -0.92 0.01 0.00 -0.80 0.00 0.00 55.06 53.21 3g82 s HIS 357 Cb 0.03 -1.24 -0.04 0.00 -1.43 0.00 0.00 32.58 29.91 3g82 s HIS 357 CO 0.80 0.04 -0.05 0.71 -2.00 0.00 0.00 174.74 174.24 3g82 s TYR 358 N -3.27 0.69 -0.04 0.38 2.02 -1.26 -4.78 117.35 111.10 3g82 s TYR 358 Ca 0.35 -0.88 0.06 0.00 -0.37 0.00 0.00 57.07 56.23 3g82 s TYR 358 Cb 0.08 -0.43 -0.02 0.00 -0.40 0.00 0.00 41.96 41.18 3g82 s TYR 358 CO 0.14 -0.22 -0.20 0.00 -1.57 0.00 0.00 175.55 173.71 3g82 s TYR 360 N -0.66 2.41 0.30 0.00 1.51 -0.47 -4.98 117.35 115.47 3g82 s TYR 360 Ca 0.10 -2.16 -0.29 0.00 -1.01 0.00 0.00 57.07 53.71 3g82 s TYR 360 Cb -0.10 -2.12 -0.10 0.00 -0.11 0.00 0.00 41.96 39.53 3g82 s TYR 360 CO -0.00 -0.90 1.20 -2.14 -1.11 0.00 0.00 175.55 172.60 3g82 s PRO 361 N 1.37 4.50 -0.13 -1.71 0.02 -1.26 -0.93 135.00 136.86 3g82 s PRO 361 Ca 0.10 2.00 -0.07 0.00 0.02 0.00 0.00 61.00 63.05 3g82 s PRO 361 Cb -0.18 -3.14 0.05 0.00 0.02 0.00 0.00 34.50 31.26 3g82 s PRO 361 CO -0.19 0.01 0.31 -1.01 -0.33 0.00 0.00 177.00 175.80 3g82 s HIS 362 N -1.10 -0.45 -0.35 6.54 3.76 -0.84 -4.94 115.29 117.91 3g82 s HIS 362 Ca 0.47 1.00 -0.20 0.00 -0.15 0.00 0.00 55.06 56.19 3g82 s HIS 362 Cb -0.36 0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.47 3g82 s HIS 362 CO 0.46 -0.29 0.59 -0.06 -0.85 0.00 0.00 174.74 174.60 3g82 s PHE 363 N 1.41 3.16 0.07 1.40 0.08 -1.26 -1.12 117.98 121.72 3g82 s PHE 363 Ca -0.09 0.29 0.03 0.00 0.12 0.00 0.00 56.93 57.28 3g82 s PHE 363 Cb -0.10 -3.07 -0.03 0.00 -0.57 0.00 0.00 43.02 39.26 3g82 s PHE 363 CO -0.10 -0.60 -0.09 0.95 -0.10 0.00 0.00 175.22 175.28 3g82 s THR 364 N 2.60 0.77 -0.34 0.64 -4.23 -0.07 -4.99 115.64 110.02 3g82 s THR 364 Ca 0.22 -1.44 -0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3g82 s THR 364 Cb -0.15 -1.10 0.12 0.00 1.34 0.00 0.00 72.50 72.71 3g82 s THR 364 CO 0.14 -0.50 0.16 0.00 -0.54 0.00 0.00 174.62 173.87 3g82 h ALA 366 N 7.63 1.69 0.00 0.00 0.00 -1.96 -1.49 119.26 125.13 3g82 h ALA 366 Ca -0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3g82 h ALA 366 Cb 0.99 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3g82 h ALA 366 CO 0.43 0.01 -0.27 -0.39 0.00 0.00 0.00 179.25 179.03 3g82 h VAL 367 N 0.00 0.49 -3.65 0.00 -1.51 -1.94 -3.43 116.25 106.21 3g82 h VAL 367 Ca -0.00 -1.57 -0.59 0.00 -1.23 0.00 0.00 66.70 63.30 3g82 h VAL 367 Cb 0.02 2.15 -0.10 0.00 -2.13 0.00 0.00 31.29 31.23 3g82 h VAL 367 CO 0.00 0.26 0.64 -0.62 -1.23 0.00 0.00 177.57 176.62 3g82 s ASP 368 N -6.30 6.54 0.45 4.19 -1.08 -0.56 -4.92 116.67 114.99 3g82 s ASP 368 Ca 0.04 0.23 0.24 0.00 -0.52 0.00 0.00 52.55 52.55 3g82 s ASP 368 Cb 0.07 -2.47 1.03 0.00 -1.46 0.00 0.00 42.92 40.09 3g82 s ASP 368 CO 0.70 -1.05 1.88 0.74 0.52 0.00 0.00 175.17 177.95 3g82 h THR 369 N 6.07 0.59 -0.15 1.71 2.02 -1.83 -2.68 112.91 118.64 3g82 h THR 369 Ca -0.24 -1.02 -0.21 0.00 0.77 0.00 0.00 66.41 65.71 3g82 h THR 369 Cb 1.07 1.68 0.01 0.00 -1.74 0.00 0.00 68.15 69.17 3g82 h THR 369 CO 1.04 0.21 -0.74 -0.33 0.37 0.00 0.00 175.52 176.07 3g82 h GLU 370 N 0.00 0.71 -0.25 6.66 4.39 -1.92 -0.94 114.58 123.22 3g82 h GLU 370 Ca -0.00 -0.56 -0.18 0.00 0.34 0.00 0.00 59.36 58.95 3g82 h GLU 370 Cb 0.66 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3g82 h GLU 370 CO 0.03 1.18 -0.57 -0.97 -1.16 0.00 0.00 179.01 177.51 3g82 h ASN 371 N 0.49 0.88 -0.23 1.42 -1.24 -1.84 -3.03 115.58 112.04 3g82 h ASN 371 Ca -0.04 -0.48 -0.17 0.00 0.71 0.00 0.00 56.30 56.32 3g82 h ASN 371 Cb 1.35 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.15 3g82 h ASN 371 CO 0.15 1.27 -0.52 0.40 -1.29 0.00 0.00 177.43 177.44 3g82 h ILE 372 N 0.60 1.30 -0.07 2.57 1.08 -1.44 -1.63 117.51 119.91 3g82 h ILE 372 Ca 0.01 -1.72 0.03 0.00 -0.39 0.00 0.00 64.86 62.78 3g82 h ILE 372 Cb 1.17 1.78 -0.04 0.00 -3.07 0.00 0.00 36.82 36.66 3g82 h ILE 372 CO 0.12 0.55 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.90 3g82 h ARG 373 N 0.49 -0.19 -0.46 2.37 2.43 -1.27 -0.46 114.38 117.30 3g82 h ARG 373 Ca 0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 3g82 h ARG 373 Cb 1.13 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.62 3g82 h ARG 373 CO 0.11 -0.12 -0.29 -0.09 -1.51 0.00 0.00 179.97 178.07 3g82 h ARG 374 N -0.19 -0.18 0.01 0.20 2.43 -1.44 -3.01 114.38 112.20 3g82 h ARG 374 Ca 0.07 0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 59.02 3g82 h ARG 374 Cb 0.29 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3g82 h ARG 374 CO -0.18 -0.12 -1.14 -0.39 -1.51 0.00 0.00 179.97 176.62 3g82 h VAL 375 N -0.19 1.55 0.00 0.20 -1.51 -1.07 -3.11 116.25 112.12 3g82 h VAL 375 Ca 0.20 -3.27 -0.05 0.00 -1.23 0.00 0.00 66.70 62.35 3g82 h VAL 375 Cb 0.52 2.78 -0.01 0.00 -2.13 0.00 0.00 31.29 32.45 3g82 h VAL 375 CO -0.57 0.89 -0.24 0.15 -1.23 0.00 0.00 177.57 176.56 3g82 h PHE 376 N 0.01 0.00 0.05 5.19 3.57 -1.05 -1.28 116.94 123.44 3g82 h PHE 376 Ca -0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 3g82 h PHE 376 Cb 1.83 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.57 3g82 h PHE 376 CO 0.01 0.24 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.39 3g82 h ASN 377 N 0.00 -0.06 -0.79 0.41 -0.26 -1.58 0.22 115.58 113.51 3g82 h ASN 377 Ca -0.00 -0.39 0.23 0.00 -0.56 0.00 0.00 56.30 55.58 3g82 h ASN 377 Cb 0.65 0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.89 3g82 h ASN 377 CO 0.03 0.37 0.87 -0.78 -1.06 0.00 0.00 177.43 176.86 3g82 h ASP 378 N -0.51 0.00 0.00 5.81 1.82 -1.37 0.32 116.42 122.50 3g82 h ASP 378 Ca -0.01 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.54 3g82 h ASP 378 Cb 0.45 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 3g82 h ASP 378 CO 0.01 0.00 -0.53 0.00 -1.61 0.00 0.00 179.24 177.11 3g82 h ARG 380 N -1.00 0.33 -0.27 0.00 3.08 0.15 0.17 114.38 116.84 3g82 h ARG 380 Ca -0.13 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.96 3g82 h ARG 380 Cb 0.97 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.87 3g82 h ARG 380 CO -0.08 0.22 -0.20 0.22 -1.07 0.00 0.00 179.97 179.06 3g82 h ASP 381 N 0.34 -0.64 0.77 7.04 3.58 -0.71 -2.76 116.42 124.04 3g82 h ASP 381 Ca 0.38 0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.92 3g82 h ASP 381 Cb 0.60 0.32 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 3g82 h ASP 381 CO -0.43 -0.23 -0.19 0.40 -2.88 0.00 0.00 179.24 175.90 3g82 h ILE 382 N -0.18 0.53 0.08 2.25 2.04 -0.80 0.13 117.51 121.56 3g82 h ILE 382 Ca 0.15 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 3g82 h ILE 382 Cb 0.41 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3g82 h ILE 382 CO -0.38 0.18 -0.04 0.40 0.00 0.00 0.00 178.15 178.32 3g82 h ILE 383 N 0.00 1.14 -0.55 -0.67 2.04 -0.76 -3.09 117.51 115.62 3g82 h ILE 383 Ca -0.00 -0.85 -0.10 0.00 1.00 0.00 0.00 64.86 64.91 3g82 h ILE 383 Cb 0.62 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 3g82 h ILE 383 CO 0.02 0.21 -0.04 1.56 0.00 0.00 0.00 178.15 179.90 3g82 h GLN 384 N -0.50 1.00 -0.10 2.37 1.08 -1.20 -3.14 115.11 114.63 3g82 h GLN 384 Ca -0.01 -0.34 0.03 0.00 -1.45 0.00 0.00 58.65 56.88 3g82 h GLN 384 Cb 0.42 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 3g82 h GLN 384 CO 0.02 1.02 -0.09 -0.09 -0.95 0.00 0.00 178.83 178.74 3g82 h ARG 385 N 0.88 -0.10 -0.10 1.46 2.43 -0.84 -2.67 114.38 115.44 3g82 h ARG 385 Ca 0.15 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3g82 h ARG 385 Cb 0.60 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3g82 h ARG 385 CO 0.04 -0.07 0.00 -1.33 -1.51 0.00 0.00 179.97 177.10 3g82 n MET 386 N -5.22 1.37 -3.57 0.20 2.81 -1.17 -4.92 117.12 106.62 3g82 n MET 386 Ca -0.04 -0.55 -0.20 0.00 -1.81 0.00 0.00 57.70 55.10 3g82 n MET 386 Cb 0.15 -1.30 0.06 0.00 -0.71 0.00 0.00 33.22 31.42 3g82 n MET 386 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3g82 n HIS 387 N -0.19 -2.14 1.33 2.03 8.25 -1.01 -5.11 115.22 118.38 3g82 n HIS 387 Ca 0.13 0.91 0.13 0.00 -0.26 0.00 0.00 57.72 58.63 3g82 n HIS 387 Cb 0.18 -4.77 0.38 0.00 1.12 0.00 0.00 29.99 26.90 3g82 n HIS 387 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26