#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lws s ASN 2 N 0.00 3.28 0.21 1.61 2.20 -1.26 -5.18 114.94 115.79 3lws s ASN 2 Ca 0.00 -1.42 -0.08 0.00 -0.94 0.00 0.00 52.86 50.42 3lws s ASN 2 Cb 0.00 -0.15 0.14 0.00 -2.00 0.00 0.00 41.25 39.25 3lws s ASN 2 CO 0.00 -0.57 1.76 -0.09 -2.94 0.00 0.00 177.10 175.26 3lws h ARG 3 N 1.86 1.17 0.26 3.55 1.12 -1.99 -1.37 114.38 118.98 3lws h ARG 3 Ca -0.42 -0.23 -0.01 0.00 -1.11 0.00 0.00 59.98 58.20 3lws h ARG 3 Cb 1.25 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 31.03 3lws h ARG 3 CO 0.75 0.97 -0.13 1.25 -3.11 0.00 0.00 179.97 179.70 3lws h LEU 4 N 1.13 -0.30 -0.62 3.80 5.85 -1.91 -1.38 115.31 121.88 3lws h LEU 4 Ca 0.25 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.03 3lws h LEU 4 Cb 0.26 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3lws h LEU 4 CO -0.02 -0.17 0.28 -0.09 -0.34 0.00 0.00 178.44 178.10 3lws h ARG 5 N -0.40 0.49 -0.74 1.25 9.65 -1.58 -1.68 114.38 121.38 3lws h ARG 5 Ca -0.04 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 3lws h ARG 5 Cb 0.30 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.74 3lws h ARG 5 CO 0.06 0.33 0.43 1.15 2.80 0.00 0.00 179.97 184.73 3lws h THR 6 N 0.51 1.21 -0.34 0.20 2.02 -1.17 -1.40 112.91 113.94 3lws h THR 6 Ca 0.30 -0.49 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 3lws h THR 6 Cb 0.30 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3lws h THR 6 CO -0.25 0.23 -0.31 0.77 0.37 0.00 0.00 175.52 176.33 3lws h SER 7 N 1.02 0.85 -0.28 4.18 4.64 -0.45 -3.01 113.55 120.50 3lws h SER 7 Ca 0.26 -0.46 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 3lws h SER 7 Cb -0.02 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 3lws h SER 7 CO -0.05 1.14 0.03 0.15 -0.87 0.00 0.00 176.83 177.23 3lws h PHE 8 N 0.58 0.52 0.00 4.77 3.57 -1.11 -3.04 116.94 122.23 3lws h PHE 8 Ca 0.06 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 3lws h PHE 8 Cb 0.89 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 3lws h PHE 8 CO 0.07 0.60 -0.12 1.96 -2.23 0.00 0.00 178.31 178.59 3lws h GLN 9 N 0.29 0.00 -0.63 1.11 1.08 -1.30 -2.07 115.11 113.59 3lws h GLN 9 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3lws h GLN 9 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3lws h GLN 9 CO 0.01 0.12 0.00 1.04 -0.95 0.00 0.00 178.83 179.05 3lws n GLN 10 N -3.46 3.10 -2.76 1.46 1.13 -1.14 -4.95 117.38 110.76 3lws n GLN 10 Ca -0.01 -2.08 -0.29 0.00 -1.94 0.00 0.00 57.00 52.68 3lws n GLN 10 Cb 0.28 -1.77 -0.02 0.00 0.11 0.00 0.00 30.24 28.84 3lws n GLN 10 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3lws s THR 11 N -1.84 4.86 -0.49 5.09 -4.23 -0.78 -4.95 115.64 113.29 3lws s THR 11 Ca 0.37 0.40 0.22 0.00 -1.18 0.00 0.00 61.69 61.50 3lws s THR 11 Cb 0.25 -3.80 -0.18 0.00 1.34 0.00 0.00 72.50 70.11 3lws s THR 11 CO 0.17 -0.67 0.86 0.35 -0.54 0.00 0.00 174.62 174.79 3lws n THR 12 N -1.75 0.14 -3.82 3.99 -2.24 -0.40 -4.94 114.28 105.25 3lws n THR 12 Ca 0.01 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 3lws n THR 12 Cb 0.54 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 3lws n THR 12 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3lws s GLY 13 N -3.84 0.10 0.02 3.38 0.00 -1.19 -5.09 107.32 100.70 3lws s GLY 13 Ca 0.01 -0.50 -0.07 0.00 0.00 0.00 0.00 44.72 44.15 3lws s GLY 13 CO 0.84 -0.61 0.14 1.20 0.00 0.00 0.00 173.10 174.67 3lws s GLN 14 N -3.88 0.55 0.31 2.90 1.11 -1.26 -0.65 119.66 118.74 3lws s GLN 14 Ca 0.09 -0.53 0.17 0.00 0.01 0.00 0.00 55.36 55.10 3lws s GLN 14 Cb 0.03 0.23 0.12 0.00 -1.01 0.00 0.00 33.01 32.38 3lws s GLN 14 CO -0.07 -0.14 1.45 -0.84 0.01 0.00 0.00 175.29 175.71 3lws h ILE 15 N 3.96 0.62 -2.90 1.08 3.07 -1.46 -3.10 117.51 118.79 3lws h ILE 15 Ca -0.31 -1.89 -0.61 0.00 1.55 0.00 0.00 64.86 63.60 3lws h ILE 15 Cb 1.19 2.29 -0.11 0.00 -0.27 0.00 0.00 36.82 39.92 3lws h ILE 15 CO 0.44 0.36 -0.66 -0.55 -1.05 0.00 0.00 178.15 176.69 3lws s SER 16 N -6.35 4.81 0.28 2.16 0.15 -1.26 -4.14 113.70 109.35 3lws s SER 16 Ca 0.04 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.32 3lws s SER 16 Cb 0.07 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 3lws s SER 16 CO 0.73 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.87 3lws n GLY 17 N -0.08 -1.07 0.07 9.45 0.00 -0.65 -4.57 105.19 108.33 3lws n GLY 17 Ca -0.10 -1.21 0.07 0.00 0.00 0.00 0.00 46.02 44.78 3lws n GLY 17 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3lws n HIS 18 N -0.15 0.00 -0.05 1.61 8.25 -1.26 -1.69 115.22 121.92 3lws n HIS 18 Ca 0.00 -0.82 0.00 0.00 -0.26 0.00 0.00 57.72 56.64 3lws n HIS 18 Cb 0.00 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 30.99 3lws n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3lws n GLY 19 N -1.13 -3.87 3.68 -1.41 0.00 -1.26 -4.59 105.19 96.61 3lws n GLY 19 Ca 0.11 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 3lws n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3lws n LYS 20 N -0.16 1.65 -2.91 1.61 4.01 -1.26 -4.92 118.16 116.18 3lws n LYS 20 Ca 0.00 0.60 -0.44 0.00 -0.51 0.00 0.00 58.31 57.96 3lws n LYS 20 Cb 0.00 -2.34 -0.03 0.00 -0.51 0.00 0.00 35.03 32.15 3lws n LYS 20 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3lws s ARG 21 N -2.40 3.56 0.31 1.97 3.52 -1.26 -4.90 118.95 119.75 3lws s ARG 21 Ca 0.66 -1.67 0.03 0.00 -0.13 0.00 0.00 55.73 54.61 3lws s ARG 21 Cb -0.48 -4.88 -0.04 0.00 -1.56 0.00 0.00 34.95 27.99 3lws s ARG 21 CO 0.54 -1.79 0.14 0.54 -0.81 0.00 0.00 175.30 173.93 3lws s ASN 22 N 3.69 1.67 0.48 -2.12 2.20 -1.26 -5.05 114.94 114.56 3lws s ASN 22 Ca 0.32 -1.54 0.13 0.00 -0.94 0.00 0.00 52.86 50.84 3lws s ASN 22 Cb -0.06 0.34 1.13 0.00 -2.00 0.00 0.00 41.25 40.67 3lws s ASN 22 CO -0.08 -0.85 2.11 0.58 -2.94 0.00 0.00 177.10 175.92 3lws h VAL 23 N 2.19 1.04 -1.04 3.54 2.07 -2.02 -1.72 116.25 120.31 3lws h VAL 23 Ca -0.35 -0.11 0.28 0.00 0.82 0.00 0.00 66.70 67.35 3lws h VAL 23 Cb 1.25 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 3lws h VAL 23 CO 0.55 0.04 0.71 1.23 0.02 0.00 0.00 177.57 180.12 3lws h GLY 24 N 0.20 0.52 0.99 2.17 0.00 -1.96 -1.79 103.07 103.20 3lws h GLY 24 Ca 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3lws h GLY 24 CO -0.01 -0.05 0.27 -2.08 0.00 0.00 0.00 176.54 174.68 3lws h VAL 25 N 0.18 1.21 0.02 4.60 2.07 -1.66 0.31 116.25 122.98 3lws h VAL 25 Ca 0.53 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3lws h VAL 25 Cb 1.76 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3lws h VAL 25 CO -0.13 0.24 -0.01 0.25 0.02 0.00 0.00 177.57 177.94 3lws h LEU 26 N 0.78 -0.03 -1.17 2.57 5.85 -1.51 -2.98 115.31 118.82 3lws h LEU 26 Ca 0.20 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3lws h LEU 26 Cb 0.13 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3lws h LEU 26 CO -0.02 0.37 0.23 0.11 -0.34 0.00 0.00 178.44 178.79 3lws h LYS 27 N -0.43 0.81 -0.66 1.25 1.57 -1.08 -0.30 116.57 117.73 3lws h LYS 27 Ca -0.00 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3lws h LYS 27 Cb 0.41 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 3lws h LYS 27 CO 0.01 0.66 0.36 1.15 -0.57 0.00 0.00 179.45 181.05 3lws h THR 28 N 0.81 0.95 -0.07 -0.16 2.02 -0.51 -0.81 112.91 115.13 3lws h THR 28 Ca 0.19 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3lws h THR 28 Cb 0.15 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 3lws h THR 28 CO -0.02 0.12 -0.08 0.00 0.37 0.00 0.00 175.52 175.91 3lws h ALA 29 N 1.35 1.74 -0.02 6.16 0.00 -0.91 -3.16 119.26 124.42 3lws h ALA 29 Ca 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3lws h ALA 29 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3lws h ALA 29 CO -0.19 0.20 -0.34 1.19 0.00 0.00 0.00 179.25 180.11 3lws n PHE 30 N -4.38 0.00 -0.27 0.00 3.01 -0.83 -4.60 117.46 110.39 3lws n PHE 30 Ca -0.02 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.41 3lws n PHE 30 Cb 0.19 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 39.75 3lws n PHE 30 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3lws h ALA 31 N 3.67 0.99 -0.43 4.37 0.00 -1.12 -2.22 119.26 124.53 3lws h ALA 31 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3lws h ALA 31 Cb 0.73 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3lws h ALA 31 CO 0.00 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.54 3lws n ALA 32 N -2.32 2.44 -2.61 0.00 0.00 -1.26 -4.95 120.51 111.81 3lws n ALA 32 Ca 0.08 -0.79 -0.38 0.00 0.00 0.00 0.00 53.44 52.36 3lws n ALA 32 Cb 0.08 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 3lws n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3lws s VAL 33 N -1.44 5.15 0.04 0.00 1.01 -0.84 -5.04 120.40 119.29 3lws s VAL 33 Ca 0.32 0.74 -0.31 0.00 0.00 0.00 0.00 61.98 62.73 3lws s VAL 33 Cb 0.17 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 3lws s VAL 33 CO 0.23 0.52 1.31 0.00 0.00 0.00 0.00 175.10 177.15 3lws s ALA 34 N -0.58 3.51 0.44 5.51 0.00 -1.26 -4.92 121.76 124.46 3lws s ALA 34 Ca 0.22 0.90 0.16 0.00 0.00 0.00 0.00 51.96 53.23 3lws s ALA 34 Cb -0.15 -3.52 1.07 0.00 0.00 0.00 0.00 23.12 20.51 3lws s ALA 34 CO 0.10 -0.67 1.95 -0.44 0.00 0.00 0.00 175.76 176.70 3lws h ASP 35 N 7.21 0.35 -0.80 0.00 3.32 -1.96 -3.46 116.42 121.08 3lws h ASP 35 Ca -0.40 0.02 -0.40 0.00 0.02 0.00 0.00 57.03 56.27 3lws h ASP 35 Cb 1.20 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.63 3lws h ASP 35 CO 0.86 0.19 1.06 -1.61 -1.72 0.00 0.00 179.24 178.02 3lws s GLU 36 N -5.37 2.90 0.01 3.56 8.01 -1.26 -5.07 118.70 121.48 3lws s GLU 36 Ca -0.08 -0.71 0.04 0.00 0.01 0.00 0.00 54.97 54.24 3lws s GLU 36 Cb 0.20 -5.19 -0.01 0.00 -4.31 0.00 0.00 34.13 24.82 3lws s GLU 36 CO 0.76 -3.08 -0.13 0.00 0.01 0.00 0.00 175.26 172.82 3lws s ALA 38 N 8.52 1.09 0.70 5.21 0.00 -1.26 -5.25 121.76 130.76 3lws s ALA 38 Ca 0.63 -0.66 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 3lws s ALA 38 Cb -0.04 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.87 3lws s ALA 38 CO -0.01 0.24 1.09 0.45 0.00 0.00 0.00 175.76 177.52 3lws s SER 39 N -0.66 5.04 0.83 0.00 0.15 -1.26 -4.56 113.70 113.23 3lws s SER 39 Ca 0.03 1.83 -0.11 0.00 0.70 0.00 0.00 55.95 58.40 3lws s SER 39 Cb -0.06 -2.53 0.09 0.00 -1.71 0.00 0.00 66.02 61.81 3lws s SER 39 CO 0.00 -1.68 1.09 1.51 1.20 0.00 0.00 173.24 175.37 3lws s ASP 40 N -3.14 4.11 -0.23 5.45 -4.77 -1.20 -4.36 116.67 112.53 3lws s ASP 40 Ca 0.63 1.46 -0.04 0.00 -3.30 0.00 0.00 52.55 51.30 3lws s ASP 40 Cb -0.17 -2.18 0.09 0.00 -1.09 0.00 0.00 42.92 39.57 3lws s ASP 40 CO 0.49 -2.23 0.14 -1.58 0.70 0.00 0.00 175.17 172.69 3lws s GLN 41 N -5.03 0.15 -1.33 2.11 0.74 0.10 -4.40 119.66 112.00 3lws s GLN 41 Ca 0.62 -0.22 -0.12 0.00 0.05 0.00 0.00 55.36 55.69 3lws s GLN 41 Cb -0.16 -1.37 0.01 0.00 1.10 0.00 0.00 33.01 32.58 3lws s GLN 41 CO 0.56 -0.84 0.49 0.66 -0.55 0.00 0.00 175.29 175.60 3lws n TYR 42 N 5.28 -1.59 -0.93 1.67 4.01 -1.00 -2.13 117.16 122.46 3lws n TYR 42 Ca -0.06 0.52 0.00 0.00 -0.16 0.00 0.00 57.90 58.20 3lws n TYR 42 Cb 0.46 -3.32 0.00 0.00 -0.31 0.00 0.00 39.34 36.17 3lws n TYR 42 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3lws n GLY 43 N -2.04 0.78 3.22 2.72 0.00 -1.26 -4.98 105.19 103.63 3lws n GLY 43 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 3lws n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3lws n THR 44 N -2.40 0.00 -2.22 2.61 -2.24 -0.91 -4.84 114.28 104.29 3lws n THR 44 Ca 0.00 -2.39 0.00 0.00 -2.27 0.00 0.00 64.05 59.39 3lws n THR 44 Cb 0.00 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 3lws n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lws n GLY 45 N -0.69 -1.61 3.70 3.38 0.00 -1.26 -0.73 105.19 107.98 3lws n GLY 45 Ca 0.03 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 3lws n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lws n ALA 46 N 1.20 0.26 0.00 4.61 0.00 -1.26 -2.22 120.51 123.10 3lws n ALA 46 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3lws n ALA 46 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.19 3lws n ALA 46 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3lws n ILE 47 N -2.93 0.00 0.00 0.00 5.41 -1.26 -3.22 119.36 117.36 3lws n ILE 47 Ca 0.14 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.71 3lws n ILE 47 Cb 0.50 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.33 3lws n ILE 47 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 3lws h ILE 48 N 0.00 1.35 -0.28 1.39 2.10 -1.87 -2.95 117.51 117.25 3lws h ILE 48 Ca 0.00 -2.06 -0.08 0.00 1.08 0.00 0.00 64.86 63.80 3lws h ILE 48 Cb 0.00 2.36 -0.01 0.00 -1.09 0.00 0.00 36.82 38.09 3lws h ILE 48 CO 0.00 0.62 -0.12 -0.33 -1.08 0.00 0.00 178.15 177.24 3lws h GLU 49 N 0.18 0.58 -0.77 2.19 5.08 -1.66 -1.78 114.58 118.39 3lws h GLU 49 Ca -0.08 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3lws h GLU 49 Cb 1.41 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.60 3lws h GLU 49 CO 0.15 0.81 0.48 -1.35 -1.00 0.00 0.00 179.01 178.10 3lws h PRO 50 N 0.32 1.03 0.01 2.33 0.11 -1.82 -1.33 132.00 132.64 3lws h PRO 50 Ca 0.06 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3lws h PRO 50 Cb 0.63 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3lws h PRO 50 CO 0.04 0.71 -0.00 0.35 -0.21 0.00 0.00 178.00 178.89 3lws h PHE 51 N 1.06 -0.01 -0.54 0.65 3.04 -1.40 0.13 116.94 119.88 3lws h PHE 51 Ca 0.28 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.23 3lws h PHE 51 Cb -0.07 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 3lws h PHE 51 CO 0.00 0.22 0.34 0.93 -2.02 0.00 0.00 178.31 177.78 3lws h GLU 52 N -0.23 0.72 -0.42 1.11 5.08 -1.17 -0.99 114.58 118.68 3lws h GLU 52 Ca -0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3lws h GLU 52 Cb 0.23 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3lws h GLU 52 CO 0.00 0.50 0.24 1.96 -1.00 0.00 0.00 179.01 180.72 3lws h GLN 53 N 0.72 0.58 -0.41 2.33 4.20 -1.17 0.18 115.11 121.53 3lws h GLN 53 Ca 0.19 -0.06 0.09 0.00 0.06 0.00 0.00 58.65 58.93 3lws h GLN 53 Cb -0.04 -0.12 -0.09 0.00 0.30 0.00 0.00 27.48 27.53 3lws h GLN 53 CO -0.04 0.44 -0.20 -0.22 -0.67 0.00 0.00 178.83 178.15 3lws h LYS 54 N 0.55 -0.12 0.00 1.46 3.64 -0.23 -2.04 116.57 119.83 3lws h LYS 54 Ca 0.15 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 3lws h LYS 54 Cb 0.02 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3lws h LYS 54 CO -0.03 -0.08 -0.69 0.74 -2.27 0.00 0.00 179.45 177.13 3lws h PHE 55 N -0.12 0.00 -0.30 1.91 0.04 -0.92 -1.27 116.94 116.27 3lws h PHE 55 Ca 0.20 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.03 3lws h PHE 55 Cb 0.43 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.52 3lws h PHE 55 CO -0.44 0.47 -0.11 0.00 -0.60 0.00 0.00 178.31 177.63 3lws h ALA 56 N 1.53 0.15 -0.51 2.45 0.00 -0.52 -1.95 119.26 120.40 3lws h ALA 56 Ca -0.04 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3lws h ALA 56 Cb 1.39 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 3lws h ALA 56 CO 0.06 -0.50 0.04 -0.44 0.00 0.00 0.00 179.25 178.41 3lws h ASP 57 N -0.05 0.85 -0.92 0.00 3.32 -1.18 0.13 116.42 118.57 3lws h ASP 57 Ca 0.15 -0.28 0.09 0.00 0.02 0.00 0.00 57.03 57.01 3lws h ASP 57 Cb 0.29 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 3lws h ASP 57 CO -0.34 0.92 0.56 0.58 -1.72 0.00 0.00 179.24 179.25 3lws h VAL 58 N 0.75 0.97 -0.00 -1.35 2.07 -1.15 -2.50 116.25 115.04 3lws h VAL 58 Ca 0.15 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3lws h VAL 58 Cb 0.46 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3lws h VAL 58 CO 0.02 0.17 -0.42 0.18 0.02 0.00 0.00 177.57 177.55 3lws n LEU 59 N -4.64 0.83 -2.21 2.57 4.77 -0.74 -2.14 117.00 115.44 3lws n LEU 59 Ca 0.15 -0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3lws n LEU 59 Cb 0.27 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3lws n LEU 59 CO 0.29 0.17 0.15 0.61 -1.33 0.00 0.00 177.39 177.28 3lws n GLY 60 N 1.42 -0.76 0.11 -0.72 0.00 0.44 -4.43 105.19 101.26 3lws n GLY 60 Ca 0.09 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 3lws n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3lws n ASP 62 N -1.26 0.70 -3.76 1.61 8.00 -0.90 -4.95 116.55 115.98 3lws n ASP 62 Ca 0.01 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.45 3lws n ASP 62 Cb 0.47 0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 42.00 3lws n ASP 62 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3lws s ASP 63 N -5.88 -0.25 -0.11 -2.24 2.15 -0.77 -4.83 116.67 104.73 3lws s ASP 63 Ca -0.17 -0.44 -0.19 0.00 0.43 0.00 0.00 52.55 52.18 3lws s ASP 63 Cb 0.07 0.59 0.04 0.00 -0.30 0.00 0.00 42.92 43.33 3lws s ASP 63 CO 0.76 -1.08 0.47 0.00 -0.17 0.00 0.00 175.17 175.15 3lws s ALA 64 N -3.58 -1.17 -0.08 3.66 0.00 -1.26 -1.97 121.76 117.35 3lws s ALA 64 Ca 0.11 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.14 3lws s ALA 64 Cb -0.03 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.70 3lws s ALA 64 CO 0.03 -0.26 -0.13 0.08 0.00 0.00 0.00 175.76 175.47 3lws s VAL 65 N -0.45 1.26 -0.17 0.00 1.01 0.11 -4.78 120.40 117.38 3lws s VAL 65 Ca -0.06 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 3lws s VAL 65 Cb -0.03 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 3lws s VAL 65 CO 0.03 0.39 0.98 0.12 0.00 0.00 0.00 175.10 176.62 3lws s PHE 66 N 0.80 3.43 0.05 5.22 5.36 -1.26 -1.45 117.98 130.13 3lws s PHE 66 Ca -0.11 1.47 0.05 0.00 -0.96 0.00 0.00 56.93 57.38 3lws s PHE 66 Cb -0.15 -3.18 -0.04 0.00 -0.34 0.00 0.00 43.02 39.30 3lws s PHE 66 CO 0.02 -0.33 -0.07 -0.06 -1.46 0.00 0.00 175.22 173.32 3lws s PHE 67 N 2.51 2.86 0.42 10.12 0.40 0.61 -4.99 117.98 129.90 3lws s PHE 67 Ca 0.45 -0.07 0.17 0.00 -0.60 0.00 0.00 56.93 56.87 3lws s PHE 67 Cb -0.17 -1.54 1.01 0.00 0.51 0.00 0.00 43.02 42.83 3lws s PHE 67 CO 0.12 0.40 1.96 -1.00 0.70 0.00 0.00 175.22 177.40 3lws h PRO 68 N 4.07 0.00 -3.62 0.24 0.13 -1.84 -0.67 132.00 130.31 3lws h PRO 68 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 3lws h PRO 68 Cb 1.17 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 3lws h PRO 68 CO 0.54 0.22 -0.52 -1.54 -0.23 0.00 0.00 178.00 176.48 3lws s SER 69 N -6.80 0.08 0.43 1.44 1.04 -1.26 -3.32 113.70 105.31 3lws s SER 69 Ca -0.03 -0.31 0.12 0.00 0.48 0.00 0.00 55.95 56.21 3lws s SER 69 Cb 0.15 0.20 0.93 0.00 0.10 0.00 0.00 66.02 67.40 3lws s SER 69 CO 0.68 -0.39 1.99 1.23 0.98 0.00 0.00 173.24 177.73 3lws h GLY 70 N 4.19 0.18 -0.29 7.32 0.00 -1.86 -2.06 103.07 110.56 3lws h GLY 70 Ca -0.31 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3lws h GLY 70 CO 0.42 0.09 0.00 2.41 0.00 0.00 0.00 176.54 179.46 3lws n THR 71 N -4.36 0.00 0.00 4.70 -1.04 -1.26 -1.37 114.28 110.95 3lws n THR 71 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3lws n THR 71 Cb 0.21 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 3lws n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lws n ALA 73 N -0.17 0.00 0.10 2.41 0.00 -0.78 -2.52 120.51 119.56 3lws n ALA 73 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3lws n ALA 73 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 3lws n ALA 73 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3lws h GLN 74 N 0.00 0.28 -0.53 0.00 4.20 -1.50 -1.89 115.11 115.66 3lws h GLN 74 Ca 0.00 -0.47 0.11 0.00 0.06 0.00 0.00 58.65 58.34 3lws h GLN 74 Cb 0.00 0.18 -0.09 0.00 0.30 0.00 0.00 27.48 27.87 3lws h GLN 74 CO 0.00 1.22 -0.02 1.96 -0.67 0.00 0.00 178.83 181.32 3lws h GLN 75 N 0.08 0.09 -0.24 1.46 4.20 -1.72 -1.99 115.11 116.99 3lws h GLN 75 Ca -0.14 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 3lws h GLN 75 Cb 1.98 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.73 3lws h GLN 75 CO 0.20 0.06 0.14 0.28 -0.67 0.00 0.00 178.83 178.84 3lws h VAL 76 N 0.10 1.10 -0.45 -0.54 2.07 -1.79 -1.58 116.25 115.15 3lws h VAL 76 Ca 0.27 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.60 3lws h VAL 76 Cb 0.42 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3lws h VAL 76 CO -0.46 0.10 0.13 0.00 0.02 0.00 0.00 177.57 177.35 3lws h ALA 77 N 1.03 0.52 -0.33 1.67 0.00 -1.03 0.96 119.26 122.09 3lws h ALA 77 Ca 0.08 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3lws h ALA 77 Cb 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3lws h ALA 77 CO -0.01 -0.27 -0.13 -0.07 0.00 0.00 0.00 179.25 178.76 3lws h LEU 78 N 0.28 0.68 -0.62 0.00 3.38 -1.27 -1.04 115.31 116.71 3lws h LEU 78 Ca 0.22 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3lws h LEU 78 Cb 0.25 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3lws h LEU 78 CO -0.25 0.92 0.39 -0.09 0.09 0.00 0.00 178.44 179.49 3lws h ARG 79 N 0.43 0.83 -0.05 1.13 9.65 -1.00 0.29 114.38 125.66 3lws h ARG 79 Ca 0.08 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 58.91 3lws h ARG 79 Cb 0.65 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 3lws h ARG 79 CO 0.04 0.58 -0.05 0.82 2.80 0.00 0.00 179.97 184.16 3lws h ILE 80 N 0.84 0.85 -0.69 1.20 2.04 -0.67 0.11 117.51 121.20 3lws h ILE 80 Ca 0.22 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.03 3lws h ILE 80 Cb -0.05 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3lws h ILE 80 CO -0.04 0.00 0.23 -0.50 0.00 0.00 0.00 178.15 177.83 3lws h TRP 81 N -0.07 1.08 -0.02 1.37 -0.00 -0.94 -1.19 115.95 116.18 3lws h TRP 81 Ca 0.04 -0.09 0.01 0.00 -0.00 0.00 0.00 58.89 58.84 3lws h TRP 81 Cb 0.12 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 28.96 3lws h TRP 81 CO -0.15 0.85 -0.02 1.03 -0.00 0.00 0.00 178.44 180.16 3lws h SER 82 N 1.01 -0.05 -0.71 -3.49 0.87 -0.11 -1.17 113.55 109.90 3lws h SER 82 Ca 0.23 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.90 3lws h SER 82 Cb 0.27 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.18 3lws h SER 82 CO -0.01 -0.02 0.33 0.44 -0.53 0.00 0.00 176.83 177.04 3lws h ASP 83 N -0.02 0.40 0.42 6.23 3.32 -0.64 -1.29 116.42 124.85 3lws h ASP 83 Ca 0.02 0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 3lws h ASP 83 Cb 0.04 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3lws h ASP 83 CO -0.04 0.22 -0.57 -0.08 -1.72 0.00 0.00 179.24 177.05 3lws h GLU 84 N 0.55 0.16 -0.01 3.56 4.81 -0.97 -3.08 114.58 119.60 3lws h GLU 84 Ca 0.36 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3lws h GLU 84 Cb 0.43 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3lws h GLU 84 CO -0.30 0.69 -0.24 0.25 -0.73 0.00 0.00 179.01 178.68 3lws n THR 85 N -3.88 0.00 -2.82 0.32 -2.24 -0.46 -4.95 114.28 100.24 3lws n THR 85 Ca -0.02 -0.19 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 3lws n THR 85 Cb 0.59 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 3lws n THR 85 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3lws n ASP 86 N -0.30 -4.61 -3.92 3.42 8.00 -0.53 -4.97 116.55 113.63 3lws n ASP 86 Ca 0.13 -0.10 -0.27 0.00 0.71 0.00 0.00 54.79 55.26 3lws n ASP 86 Cb 0.38 -3.82 -0.17 0.00 -0.02 0.00 0.00 41.12 37.49 3lws n ASP 86 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3lws s ASN 87 N -2.38 2.16 -0.28 -2.24 3.84 -0.91 -5.03 114.94 110.10 3lws s ASN 87 Ca 0.18 -0.31 0.08 0.00 0.21 0.00 0.00 52.86 53.02 3lws s ASN 87 Cb -0.09 -0.85 0.64 0.00 -0.55 0.00 0.00 41.25 40.40 3lws s ASN 87 CO 0.22 -0.10 1.65 0.54 -2.79 0.00 0.00 177.10 176.62 3lws n ARG 88 N 4.84 3.37 -5.06 0.43 1.74 -1.26 -4.28 116.66 116.44 3lws n ARG 88 Ca -0.14 -2.62 -0.30 0.00 -0.77 0.00 0.00 57.85 54.02 3lws n ARG 88 Cb 0.50 -2.09 -0.17 0.00 -1.02 0.00 0.00 32.46 29.68 3lws n ARG 88 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3lws s THR 89 N -2.62 1.84 0.33 0.55 2.01 -1.26 -0.92 115.64 115.57 3lws s THR 89 Ca 0.47 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.68 3lws s THR 89 Cb 0.38 -1.60 -0.06 0.00 0.01 0.00 0.00 72.50 71.22 3lws s THR 89 CO 0.12 0.51 -0.10 0.68 -0.69 0.00 0.00 174.62 175.13 3lws s VAL 90 N 0.43 2.23 0.04 3.82 -7.23 -0.25 -0.72 120.40 118.72 3lws s VAL 90 Ca -0.18 -2.22 0.06 0.00 -1.81 0.00 0.00 61.98 57.83 3lws s VAL 90 Cb -0.17 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 3lws s VAL 90 CO 0.08 -0.23 -0.16 0.00 -0.31 0.00 0.00 175.10 174.47 3lws s ALA 91 N -2.62 1.36 0.18 1.32 0.00 -0.40 -0.55 121.76 121.06 3lws s ALA 91 Ca 0.32 -0.88 -0.23 0.00 0.00 0.00 0.00 51.96 51.16 3lws s ALA 91 Cb 0.02 -0.24 0.07 0.00 0.00 0.00 0.00 23.12 22.96 3lws s ALA 91 CO 0.16 0.28 1.00 1.52 0.00 0.00 0.00 175.76 178.72 3lws s TYR 92 N -0.79 -0.02 0.64 0.00 -0.85 -0.69 -1.46 117.35 114.19 3lws s TYR 92 Ca 0.04 -0.35 -0.18 0.00 -0.52 0.00 0.00 57.07 56.06 3lws s TYR 92 Cb -0.08 0.68 -0.01 0.00 0.38 0.00 0.00 41.96 42.93 3lws s TYR 92 CO 0.01 -0.90 1.23 -1.58 -1.52 0.00 0.00 175.55 172.79 3lws s HIS 93 N -2.67 2.22 0.54 -3.49 5.65 -1.26 -0.54 115.29 115.73 3lws s HIS 93 Ca 0.17 1.53 0.23 0.00 0.25 0.00 0.00 55.06 57.24 3lws s HIS 93 Cb -0.02 -3.53 1.41 0.00 -1.18 0.00 0.00 32.58 29.25 3lws s HIS 93 CO 0.04 -2.51 2.07 -1.35 -0.65 0.00 0.00 174.74 172.34 3lws h PRO 94 N 0.48 0.00 -0.64 2.88 0.11 -1.86 -1.91 132.00 131.06 3lws h PRO 94 Ca -0.50 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.37 3lws h PRO 94 Cb 1.31 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.27 3lws h PRO 94 CO 0.53 0.00 0.23 1.28 -0.21 0.00 0.00 178.00 179.84 3lws n LEU 95 N -4.32 5.48 -4.66 2.35 4.77 -1.26 -4.83 117.00 114.52 3lws n LEU 95 Ca 0.04 -3.40 -0.40 0.00 -0.03 0.00 0.00 56.01 52.22 3lws n LEU 95 Cb 0.38 -0.71 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 3lws n LEU 95 CO 0.34 0.94 0.75 0.00 -1.33 0.00 0.00 177.39 178.09 3lws h HIS 97 N 1.65 0.00 0.00 0.00 2.76 -1.94 -1.30 115.15 116.32 3lws h HIS 97 Ca -0.47 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 57.60 3lws h HIS 97 Cb 1.32 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.26 3lws h HIS 97 CO 0.45 0.11 -0.46 -0.07 -1.30 0.00 0.00 177.93 176.65 3lws h LEU 98 N 0.00 0.00 -0.17 0.26 4.07 -1.95 -1.44 115.31 116.08 3lws h LEU 98 Ca -0.00 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.74 3lws h LEU 98 Cb 0.21 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.96 3lws h LEU 98 CO 0.01 0.46 -0.78 -0.08 -1.08 0.00 0.00 178.44 176.98 3lws h GLU 99 N 0.00 0.79 0.00 1.13 4.57 -1.59 -3.41 114.58 116.07 3lws h GLU 99 Ca -0.00 -0.64 0.00 0.00 -1.18 0.00 0.00 59.36 57.53 3lws h GLU 99 Cb 1.05 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3lws h GLU 99 CO 0.06 1.25 -0.43 0.44 -1.18 0.00 0.00 179.01 179.15 3lws n ILE 100 N -3.93 0.00 -0.26 2.32 -5.35 -1.10 -4.73 119.36 106.31 3lws n ILE 100 Ca -0.07 -0.24 0.01 0.00 -0.27 0.00 0.00 62.75 62.18 3lws n ILE 100 Cb 0.75 0.74 0.02 0.00 -1.74 0.00 0.00 39.64 39.41 3lws n ILE 100 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3lws n HIS 101 N -1.12 0.00 -1.34 4.28 8.25 -0.55 -4.75 115.22 119.99 3lws n HIS 101 Ca 0.00 -0.50 0.07 0.00 -0.26 0.00 0.00 57.72 57.03 3lws n HIS 101 Cb 0.00 -0.06 0.10 0.00 1.12 0.00 0.00 29.99 31.15 3lws n HIS 101 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3lws n GLU 102 N -0.56 0.93 -3.55 -0.41 1.02 -1.24 -4.99 120.64 111.85 3lws n GLU 102 Ca 0.02 -2.16 -0.26 0.00 -0.02 0.00 0.00 57.16 54.74 3lws n GLU 102 Cb 0.33 -1.22 -0.00 0.00 -0.02 0.00 0.00 31.44 30.53 3lws n GLU 102 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3lws n GLN 103 N -1.03 -3.70 -2.95 3.49 1.13 -1.26 -1.82 117.38 111.24 3lws n GLN 103 Ca 0.12 0.49 -0.21 0.00 -1.94 0.00 0.00 57.00 55.46 3lws n GLN 103 Cb 0.66 -5.24 0.03 0.00 0.11 0.00 0.00 30.24 25.81 3lws n GLN 103 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3lws n ASP 104 N -2.42 -5.88 -0.34 1.08 8.00 -1.26 -4.93 116.55 110.79 3lws n ASP 104 Ca 0.00 -0.26 0.02 0.00 0.71 0.00 0.00 54.79 55.26 3lws n ASP 104 Cb 0.53 -4.71 0.16 0.00 -0.02 0.00 0.00 41.12 37.08 3lws n ASP 104 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3lws h GLY 105 N -1.27 1.41 0.83 0.44 0.00 -1.63 -0.48 103.07 102.37 3lws h GLY 105 Ca -0.50 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.41 3lws h GLY 105 CO 0.54 0.30 -0.10 -2.00 0.00 0.00 0.00 176.54 175.28 3lws h LEU 106 N 1.08 -0.28 -0.62 3.11 5.85 -1.86 0.27 115.31 122.85 3lws h LEU 106 Ca 0.40 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 59.08 3lws h LEU 106 Cb 0.16 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3lws h LEU 106 CO -0.17 -0.16 -0.36 0.11 -0.34 0.00 0.00 178.44 177.52 3lws h LYS 107 N -0.22 0.00 0.06 1.25 1.57 -1.65 -2.28 116.57 115.31 3lws h LYS 107 Ca 0.02 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.49 3lws h LYS 107 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3lws h LYS 107 CO -0.05 0.36 -1.68 0.93 -0.57 0.00 0.00 179.45 178.43 3lws h GLU 108 N 0.00 0.13 -0.00 3.15 4.39 -0.94 -3.37 114.58 117.94 3lws h GLU 108 Ca -0.00 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3lws h GLU 108 Cb 1.03 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3lws h GLU 108 CO 0.05 0.87 -0.70 1.28 -1.16 0.00 0.00 179.01 179.35 3lws n LEU 109 N -3.28 1.07 -3.88 1.33 4.77 0.07 -4.96 117.00 112.12 3lws n LEU 109 Ca -0.19 -0.40 -0.11 0.00 -0.03 0.00 0.00 56.01 55.28 3lws n LEU 109 Cb 1.04 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.96 3lws n LEU 109 CO 0.46 0.24 -0.19 -1.00 -1.33 0.00 0.00 177.39 175.57 3lws s HIS 110 N -2.85 0.05 -1.59 -1.77 3.76 -0.86 -5.06 115.29 106.98 3lws s HIS 110 Ca 0.12 -0.14 -0.11 0.00 -0.15 0.00 0.00 55.06 54.79 3lws s HIS 110 Cb 0.17 -0.05 -0.06 0.00 1.11 0.00 0.00 32.58 33.75 3lws s HIS 110 CO 0.74 -0.27 2.79 -0.35 -0.85 0.00 0.00 174.74 176.81 3lws n PRO 111 N 1.56 3.50 -4.88 8.40 -0.04 -1.26 -4.42 135.00 137.86 3lws n PRO 111 Ca -0.22 -2.29 -0.27 0.00 -0.04 0.00 0.00 63.50 60.68 3lws n PRO 111 Cb 0.56 -2.91 -0.16 0.00 -0.04 0.00 0.00 33.50 30.94 3lws n PRO 111 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3lws s ILE 112 N 2.42 1.52 0.11 0.52 1.01 -1.26 -4.81 121.20 120.70 3lws s ILE 112 Ca 0.65 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 60.61 3lws s ILE 112 Cb 0.17 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 3lws s ILE 112 CO -0.07 0.44 -0.05 -1.61 0.00 0.00 0.00 174.94 173.65 3lws s GLU 113 N 0.21 2.31 -0.06 2.79 2.02 -0.10 -4.47 118.70 121.40 3lws s GLU 113 Ca -0.09 -0.96 0.06 0.00 0.02 0.00 0.00 54.97 54.00 3lws s GLU 113 Cb -0.14 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.68 3lws s GLU 113 CO 0.04 0.51 -0.25 0.95 0.02 0.00 0.00 175.26 176.54 3lws s THR 114 N -1.31 2.03 -0.17 3.63 -4.23 -1.26 -1.08 115.64 113.25 3lws s THR 114 Ca 0.24 -1.05 -0.15 0.00 -1.18 0.00 0.00 61.69 59.54 3lws s THR 114 Cb -0.11 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 3lws s THR 114 CO 0.16 0.56 0.35 -0.63 -0.54 0.00 0.00 174.62 174.53 3lws s ILE 115 N -0.14 5.25 -0.20 2.99 1.01 0.29 -4.97 121.20 125.44 3lws s ILE 115 Ca -0.04 0.66 -0.18 0.00 0.00 0.00 0.00 60.65 61.09 3lws s ILE 115 Cb -0.14 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 3lws s ILE 115 CO 0.04 0.33 0.50 -0.76 0.00 0.00 0.00 174.94 175.05 3lws s LEU 116 N 0.78 4.15 -0.23 2.97 1.43 -1.26 -1.71 118.68 124.81 3lws s LEU 116 Ca 0.19 0.65 -0.07 0.00 -1.03 0.00 0.00 54.13 53.86 3lws s LEU 116 Cb -0.14 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 3lws s LEU 116 CO 0.06 -0.16 0.07 -0.69 0.23 0.00 0.00 176.35 175.86 3lws s VAL 117 N 1.58 4.51 0.00 -1.59 1.01 0.30 -4.89 120.40 121.31 3lws s VAL 117 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3lws s VAL 117 Cb -0.15 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3lws s VAL 117 CO 0.09 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3lws n GLY 118 N 4.47 -0.34 3.34 4.51 0.00 -1.26 -4.17 105.19 111.74 3lws n GLY 118 Ca -0.16 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.32 3lws n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lws s ALA 119 N -1.20 2.16 0.62 4.61 0.00 -1.26 -4.88 121.76 121.82 3lws s ALA 119 Ca 0.00 -1.35 0.35 0.00 0.00 0.00 0.00 51.96 50.96 3lws s ALA 119 Cb 0.00 -0.36 2.00 0.00 0.00 0.00 0.00 23.12 24.76 3lws s ALA 119 CO 0.00 0.48 2.24 0.00 0.00 0.00 0.00 175.76 178.48 3lws h ALA 120 N 4.14 1.38 -0.27 0.00 0.00 -1.97 -2.97 119.26 119.57 3lws h ALA 120 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3lws h ALA 120 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3lws h ALA 120 CO 0.40 -0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.16 3lws n ASP 121 N -3.49 2.99 -3.61 0.00 5.75 -1.26 -4.84 116.55 112.09 3lws n ASP 121 Ca -0.02 -1.93 -0.11 0.00 -0.01 0.00 0.00 54.79 52.72 3lws n ASP 121 Cb 0.15 -0.17 -0.04 0.00 -1.03 0.00 0.00 41.12 40.03 3lws n ASP 121 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3lws s ARG 122 N -1.66 1.76 0.00 0.11 1.70 -1.12 -5.02 118.95 114.71 3lws s ARG 122 Ca 0.36 -1.46 0.00 0.00 -0.47 0.00 0.00 55.73 54.16 3lws s ARG 122 Cb 0.21 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 35.07 3lws s ARG 122 CO 0.31 -0.74 0.00 1.28 -1.08 0.00 0.00 175.30 175.06 3lws n LEU 123 N -0.46 0.00 -3.98 -1.89 4.77 -1.26 -4.50 117.00 109.67 3lws n LEU 123 Ca -0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 3lws n LEU 123 Cb 0.62 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 3lws n LEU 123 CO 0.26 0.00 -0.24 0.42 -1.33 0.00 0.00 177.39 176.50 3lws s THR 125 N 0.00 0.18 0.24 -5.08 -4.23 -1.26 -4.78 115.64 100.71 3lws s THR 125 Ca 0.00 -1.47 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 3lws s THR 125 Cb 0.00 -1.37 0.21 0.00 1.34 0.00 0.00 72.50 72.68 3lws s THR 125 CO 0.00 -0.81 1.80 0.25 -0.54 0.00 0.00 174.62 175.32 3lws h LEU 126 N 3.06 0.63 -0.33 4.79 5.85 -1.99 -2.00 115.31 125.33 3lws h LEU 126 Ca -0.34 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.49 3lws h LEU 126 Cb 1.17 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 3lws h LEU 126 CO 0.60 0.35 0.05 0.44 -0.34 0.00 0.00 178.44 179.55 3lws h ASP 127 N 0.75 -0.01 0.01 1.25 3.32 -2.04 0.14 116.42 119.83 3lws h ASP 127 Ca 0.40 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.46 3lws h ASP 127 Cb 0.39 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3lws h ASP 127 CO -0.26 0.03 -0.12 -0.33 -1.72 0.00 0.00 179.24 176.84 3lws h GLU 128 N 0.16 0.25 -0.23 3.56 5.08 -1.91 0.21 114.58 121.70 3lws h GLU 128 Ca 0.16 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3lws h GLU 128 Cb 0.18 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3lws h GLU 128 CO -0.21 0.38 -0.04 0.82 -1.00 0.00 0.00 179.01 178.96 3lws h ILE 129 N 0.24 1.28 -0.09 3.13 2.04 -0.53 -3.05 117.51 120.52 3lws h ILE 129 Ca 0.05 -1.00 -0.06 0.00 1.00 0.00 0.00 64.86 64.84 3lws h ILE 129 Cb 0.36 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3lws h ILE 129 CO 0.02 0.31 -0.24 0.11 0.00 0.00 0.00 178.15 178.35 3lws h LYS 130 N 0.18 0.15 0.00 2.37 1.57 -0.31 -2.08 116.57 118.44 3lws h LYS 130 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3lws h LYS 130 Cb 0.48 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3lws h LYS 130 CO 0.02 0.38 0.00 0.00 -0.57 0.00 0.00 179.45 179.28 3lws n ALA 131 N -2.49 1.46 -1.77 3.86 0.00 0.70 -4.86 120.51 117.42 3lws n ALA 131 Ca -0.01 0.06 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 3lws n ALA 131 Cb 0.33 -1.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.50 3lws n ALA 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3lws s LEU 132 N -3.88 4.20 1.02 0.00 1.43 -0.79 -5.04 118.68 115.62 3lws s LEU 132 Ca 0.03 2.70 -0.17 0.00 -1.03 0.00 0.00 54.13 55.66 3lws s LEU 132 Cb 0.08 -3.90 0.23 0.00 0.03 0.00 0.00 46.19 42.62 3lws s LEU 132 CO 0.27 -0.89 1.31 -2.16 0.23 0.00 0.00 176.35 175.11 3lws s PRO 133 N -2.26 0.19 -0.11 1.29 0.04 -1.26 -4.94 135.00 127.95 3lws s PRO 133 Ca 0.57 -0.43 -0.33 0.00 0.04 0.00 0.00 61.00 60.85 3lws s PRO 133 Cb -0.39 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 3lws s PRO 133 CO 0.50 -2.71 1.95 -0.25 0.04 0.00 0.00 177.00 176.53 3lws n ASP 134 N -3.97 3.41 -4.29 6.66 8.00 -1.26 -4.96 116.55 120.13 3lws n ASP 134 Ca 0.16 0.84 -0.18 0.00 0.71 0.00 0.00 54.79 56.32 3lws n ASP 134 Cb 0.59 -1.40 -0.11 0.00 -0.02 0.00 0.00 41.12 40.19 3lws n ASP 134 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3lws s ILE 135 N 4.82 1.53 0.15 0.53 -4.36 -1.26 -4.93 121.20 117.68 3lws s ILE 135 Ca 0.95 -1.95 -0.14 0.00 -0.26 0.00 0.00 60.65 59.24 3lws s ILE 135 Cb -0.64 -1.79 0.02 0.00 1.25 0.00 0.00 42.46 41.29 3lws s ILE 135 CO 0.49 -0.49 1.67 0.00 0.24 0.00 0.00 174.94 176.84 3lws h ALA 136 N 3.07 0.62 -2.00 2.27 0.00 -1.10 -3.43 119.26 118.69 3lws h ALA 136 Ca -0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 3lws h ALA 136 Cb 1.20 -0.18 -0.21 0.00 0.00 0.00 0.00 17.79 18.60 3lws h ALA 136 CO 0.56 0.28 0.11 0.00 0.00 0.00 0.00 179.25 180.20 3lws s LEU 138 N 0.60 3.60 -0.18 0.00 2.96 -0.25 -1.27 118.68 124.14 3lws s LEU 138 Ca -0.02 -0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 3lws s LEU 138 Cb -0.05 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 3lws s LEU 138 CO -0.03 0.10 0.06 -0.22 -1.32 0.00 0.00 176.35 174.94 3lws s LEU 139 N 0.83 3.80 0.03 -0.68 0.20 -0.53 -0.86 118.68 121.47 3lws s LEU 139 Ca 0.03 0.07 0.08 0.00 0.69 0.00 0.00 54.13 55.00 3lws s LEU 139 Cb -0.14 -1.96 -0.03 0.00 -0.43 0.00 0.00 46.19 43.64 3lws s LEU 139 CO 0.02 0.17 -0.25 -0.76 -0.29 0.00 0.00 176.35 175.25 3lws s LEU 140 N 0.40 2.14 -0.19 -0.68 1.43 -0.11 -4.43 118.68 117.24 3lws s LEU 140 Ca 0.03 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3lws s LEU 140 Cb -0.12 -1.21 0.03 0.00 0.03 0.00 0.00 46.19 44.92 3lws s LEU 140 CO 0.00 0.25 -0.16 -0.70 0.23 0.00 0.00 176.35 175.97 3lws s GLU 141 N -1.06 2.58 -0.31 1.70 2.12 -1.26 -0.26 118.70 122.22 3lws s GLU 141 Ca 0.10 -0.86 -0.02 0.00 0.36 0.00 0.00 54.97 54.55 3lws s GLU 141 Cb -0.10 -2.51 0.05 0.00 0.26 0.00 0.00 34.13 31.84 3lws s GLU 141 CO 0.01 -0.31 0.01 -0.51 -0.54 0.00 0.00 175.26 173.92 3lws s LEU 142 N 1.32 3.97 0.00 2.70 1.43 -1.10 -2.75 118.68 124.24 3lws s LEU 142 Ca 0.02 -1.32 -0.08 0.00 -1.03 0.00 0.00 54.13 51.72 3lws s LEU 142 Cb -0.15 -1.71 0.17 0.00 0.03 0.00 0.00 46.19 44.53 3lws s LEU 142 CO -0.11 -0.27 1.07 -0.81 0.23 0.00 0.00 176.35 176.46 3lws n PRO 143 N 4.61 -0.63 -2.64 1.29 -0.04 -1.26 -3.94 135.00 132.39 3lws n PRO 143 Ca -0.12 -2.18 -0.42 0.00 -0.04 0.00 0.00 63.50 60.74 3lws n PRO 143 Cb 0.43 -0.94 -0.03 0.00 -0.04 0.00 0.00 33.50 32.93 3lws n PRO 143 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3lws s GLN 144 N -5.27 3.61 0.31 0.54 2.00 -0.15 -4.85 119.66 115.85 3lws s GLN 144 Ca 0.65 -1.29 0.03 0.00 -2.00 0.00 0.00 55.36 52.75 3lws s GLN 144 Cb -0.03 -5.27 0.63 0.00 0.80 0.00 0.00 33.01 29.15 3lws s GLN 144 CO 0.44 -2.11 1.88 -0.09 -0.50 0.00 0.00 175.29 174.91 3lws h ARG 145 N 9.52 0.88 0.00 1.67 1.12 -1.87 -0.84 114.38 124.86 3lws h ARG 145 Ca 0.20 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 59.01 3lws h ARG 145 Cb 1.01 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.77 3lws h ARG 145 CO 1.36 0.59 0.00 0.39 -3.11 0.00 0.00 179.97 179.19 3lws n GLU 146 N -4.54 0.13 -0.97 0.20 -0.58 -1.26 -1.98 120.64 111.64 3lws n GLU 146 Ca 0.16 0.28 -0.07 0.00 -0.42 0.00 0.00 57.16 57.11 3lws n GLU 146 Cb 0.32 -1.71 0.17 0.00 -0.57 0.00 0.00 31.44 29.64 3lws n GLU 146 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3lws n ILE 147 N -1.96 2.57 -0.09 -3.67 -5.35 -1.06 -4.94 119.36 104.86 3lws n ILE 147 Ca 0.04 -3.04 0.00 0.00 -0.27 0.00 0.00 62.75 59.48 3lws n ILE 147 Cb 0.27 -0.46 0.00 0.00 -1.74 0.00 0.00 39.64 37.71 3lws n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3lws n GLY 148 N -1.06 0.55 0.57 3.28 0.00 -0.84 -4.50 105.19 103.19 3lws n GLY 148 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3lws n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lws n GLY 149 N -2.00 0.60 3.65 -0.02 0.00 -0.34 -3.77 105.19 103.31 3lws n GLY 149 Ca 0.00 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 3lws n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lws s VAL 150 N -2.38 4.01 0.05 1.61 1.01 -1.21 -4.50 120.40 118.99 3lws s VAL 150 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 3lws s VAL 150 Cb 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 3lws s VAL 150 CO 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 175.10 175.54 3lws s ALA 151 N -1.00 0.41 0.59 5.51 0.00 -1.26 -0.97 121.76 125.04 3lws s ALA 151 Ca 0.17 -1.13 -0.14 0.00 0.00 0.00 0.00 51.96 50.86 3lws s ALA 151 Cb -0.11 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3lws s ALA 151 CO 0.07 -0.38 1.03 -1.25 0.00 0.00 0.00 175.76 175.23 3lws s PRO 152 N -3.86 3.53 0.75 0.00 0.04 -1.26 -5.04 135.00 129.15 3lws s PRO 152 Ca 0.06 1.00 -0.13 0.00 0.04 0.00 0.00 61.00 61.97 3lws s PRO 152 Cb 0.07 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.59 3lws s PRO 152 CO -0.10 -0.63 1.14 0.00 0.04 0.00 0.00 177.00 177.46 3lws s ALA 153 N -2.73 2.15 0.41 8.56 0.00 -1.26 -4.83 121.76 124.05 3lws s ALA 153 Ca 0.60 0.60 0.14 0.00 0.00 0.00 0.00 51.96 53.29 3lws s ALA 153 Cb -0.13 -3.38 0.98 0.00 0.00 0.00 0.00 23.12 20.60 3lws s ALA 153 CO 0.41 -1.82 1.91 0.35 0.00 0.00 0.00 175.76 176.61 3lws h PHE 154 N -0.64 0.57 -0.75 0.00 3.57 -1.96 -0.61 116.94 117.12 3lws h PHE 154 Ca -0.46 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.02 3lws h PHE 154 Cb 1.26 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 3lws h PHE 154 CO 0.52 0.22 0.33 0.66 -2.23 0.00 0.00 178.31 177.82 3lws h SER 155 N 0.49 1.00 -0.20 0.41 4.64 -2.00 -0.91 113.55 116.99 3lws h SER 155 Ca 0.38 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.42 3lws h SER 155 Cb 0.78 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3lws h SER 155 CO -0.14 0.87 -0.42 -0.33 -0.87 0.00 0.00 176.83 175.95 3lws h GLU 156 N 1.08 0.74 -0.32 4.77 5.08 -1.47 -2.18 114.58 122.28 3lws h GLU 156 Ca 0.26 -0.40 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3lws h GLU 156 Cb 0.16 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3lws h GLU 156 CO -0.03 1.02 0.10 -0.07 -1.00 0.00 0.00 179.01 179.03 3lws h LEU 157 N 0.60 0.11 -0.78 1.33 3.38 -1.18 0.47 115.31 119.24 3lws h LEU 157 Ca 0.05 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.16 3lws h LEU 157 Cb 0.97 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 3lws h LEU 157 CO 0.09 0.10 0.41 -0.33 0.09 0.00 0.00 178.44 178.80 3lws h GLU 158 N 0.24 0.65 -0.12 1.13 5.08 -1.06 0.24 114.58 120.74 3lws h GLU 158 Ca 0.14 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3lws h GLU 158 Cb 0.12 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3lws h GLU 158 CO -0.15 0.43 -0.00 1.15 -1.00 0.00 0.00 179.01 179.44 3lws h THR 159 N 0.67 1.25 -0.72 1.13 2.02 -0.88 -1.89 112.91 114.49 3lws h THR 159 Ca 0.39 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 3lws h THR 159 Cb 0.43 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 3lws h THR 159 CO -0.28 0.24 0.32 0.40 0.37 0.00 0.00 175.52 176.56 3lws h ILE 160 N -0.05 1.23 -0.25 3.11 2.04 -0.67 -0.65 117.51 122.27 3lws h ILE 160 Ca 0.03 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 3lws h ILE 160 Cb 0.36 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3lws h ILE 160 CO 0.01 0.29 0.14 -1.28 0.00 0.00 0.00 178.15 177.31 3lws h SER 161 N 1.02 0.31 0.25 1.72 0.87 -0.45 -1.58 113.55 115.69 3lws h SER 161 Ca 0.25 -0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 3lws h SER 161 Cb 0.14 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3lws h SER 161 CO -0.03 0.29 -0.47 -0.09 -0.53 0.00 0.00 176.83 176.00 3lws h ARG 162 N 0.30 0.26 -0.18 2.24 2.43 -0.92 -2.34 114.38 116.18 3lws h ARG 162 Ca 0.09 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 3lws h ARG 162 Cb 0.04 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3lws h ARG 162 CO -0.02 0.68 -0.22 -0.92 -1.51 0.00 0.00 179.97 177.99 3lws h TYR 163 N 0.21 0.56 -0.10 2.20 3.20 -1.02 -2.15 116.97 119.87 3lws h TYR 163 Ca 0.01 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.69 3lws h TYR 163 Cb 0.91 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 3lws h TYR 163 CO 0.02 0.85 -0.00 0.00 -1.64 0.00 0.00 178.16 177.39 3lws h ARG 165 N -0.09 -0.01 -0.42 0.00 2.43 -1.53 0.67 114.38 115.43 3lws h ARG 165 Ca 0.03 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 3lws h ARG 165 Cb 0.36 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3lws h ARG 165 CO 0.01 -0.00 0.29 0.93 -1.51 0.00 0.00 179.97 179.68 3lws h GLU 166 N -0.01 0.16 -0.49 0.20 4.39 -0.90 -2.34 114.58 115.59 3lws h GLU 166 Ca 0.27 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3lws h GLU 166 Cb 0.42 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3lws h GLU 166 CO -0.59 0.11 0.00 0.54 -1.16 0.00 0.00 179.01 177.91 3lws n ARG 167 N -4.45 2.59 -1.28 2.33 1.74 -0.16 -4.97 116.66 112.46 3lws n ARG 167 Ca 0.06 -2.30 -0.10 0.00 -0.77 0.00 0.00 57.85 54.75 3lws n ARG 167 Cb 0.38 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 3lws n ARG 167 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3lws n GLY 168 N 1.19 1.11 3.64 -0.13 0.00 0.05 -4.99 105.19 106.06 3lws n GLY 168 Ca 0.18 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 3lws n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lws s ILE 169 N -2.27 5.03 0.17 -0.61 1.01 -0.31 -4.96 121.20 119.25 3lws s ILE 169 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 60.65 61.44 3lws s ILE 169 Cb 0.00 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.49 3lws s ILE 169 CO 0.00 0.08 1.15 -0.13 0.00 0.00 0.00 174.94 176.04 3lws s ARG 170 N 2.17 4.53 -0.24 2.79 1.81 -1.07 -3.98 118.95 124.96 3lws s ARG 170 Ca 0.26 1.79 -0.09 0.00 -1.72 0.00 0.00 55.73 55.97 3lws s ARG 170 Cb -0.16 -3.27 -0.04 0.00 -0.45 0.00 0.00 34.95 31.04 3lws s ARG 170 CO 0.09 -0.03 0.11 -1.17 -0.68 0.00 0.00 175.30 173.62 3lws s LEU 171 N -0.15 3.74 -0.12 2.53 2.96 -1.26 -1.08 118.68 125.30 3lws s LEU 171 Ca 0.52 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 3lws s LEU 171 Cb -0.31 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 3lws s LEU 171 CO 0.35 0.02 -0.12 -2.28 -1.32 0.00 0.00 176.35 173.00 3lws s HIS 172 N 1.31 2.82 -0.30 5.38 5.65 -0.04 -0.64 115.29 129.48 3lws s HIS 172 Ca 0.06 -0.51 -0.15 0.00 0.25 0.00 0.00 55.06 54.71 3lws s HIS 172 Cb -0.15 -1.82 -0.03 0.00 -1.18 0.00 0.00 32.58 29.41 3lws s HIS 172 CO 0.05 -0.11 0.37 -1.17 -0.65 0.00 0.00 174.74 173.22 3lws s LEU 173 N 0.14 4.18 -0.85 8.88 2.96 -0.51 -0.94 118.68 132.54 3lws s LEU 173 Ca -0.06 0.08 -0.25 0.00 -0.22 0.00 0.00 54.13 53.68 3lws s LEU 173 Cb -0.15 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.19 3lws s LEU 173 CO 0.05 -0.24 1.38 -0.62 -1.32 0.00 0.00 176.35 175.59 3lws s ASP 174 N 1.69 6.25 -0.58 3.68 -1.08 0.64 -0.91 116.67 126.36 3lws s ASP 174 Ca 0.14 -0.83 0.01 0.00 -0.52 0.00 0.00 52.55 51.34 3lws s ASP 174 Cb -0.16 -2.56 0.43 0.00 -1.46 0.00 0.00 42.92 39.17 3lws s ASP 174 CO 0.11 -1.74 1.73 0.61 0.52 0.00 0.00 175.17 176.40 3lws n GLY 175 N 6.02 5.98 0.38 2.66 0.00 1.00 -2.73 105.19 118.49 3lws n GLY 175 Ca 0.16 -2.47 0.23 0.00 0.00 0.00 0.00 46.02 43.94 3lws n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lws h ALA 176 N 2.26 2.08 -0.26 4.61 0.00 -1.86 -2.44 119.26 123.64 3lws h ALA 176 Ca 0.51 0.12 -0.18 0.00 0.00 0.00 0.00 54.91 55.37 3lws h ALA 176 Cb 0.89 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 3lws h ALA 176 CO 1.29 -0.58 -0.49 0.54 0.00 0.00 0.00 179.25 180.01 3lws n ARG 177 N -4.82 2.14 -0.09 0.00 1.74 -1.26 -4.19 116.66 110.18 3lws n ARG 177 Ca 0.29 -3.50 -0.09 0.00 -0.77 0.00 0.00 57.85 53.78 3lws n ARG 177 Cb 0.92 -1.82 -0.01 0.00 -1.02 0.00 0.00 32.46 30.52 3lws n ARG 177 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3lws h LEU 178 N 1.31 0.36 -1.02 0.55 5.85 -1.56 -2.80 115.31 118.01 3lws h LEU 178 Ca 0.14 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3lws h LEU 178 Cb 1.23 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 3lws h LEU 178 CO 0.28 0.27 0.31 -0.26 -0.34 0.00 0.00 178.44 178.70 3lws h PHE 179 N 0.42 1.01 0.00 1.25 0.04 -1.88 -3.00 116.94 114.79 3lws h PHE 179 Ca 0.11 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.83 3lws h PHE 179 Cb -0.04 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.80 3lws h PHE 179 CO -0.05 0.76 0.00 0.39 -0.60 0.00 0.00 178.31 178.80 3lws n GLU 180 N -4.32 0.00 0.00 1.51 4.71 -1.06 -4.48 120.64 117.01 3lws n GLU 180 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 3lws n GLU 180 Cb 0.15 -1.39 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 3lws n GLU 180 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3lws n LEU 182 N 0.97 0.00 -0.03 -4.62 4.77 -1.14 -4.34 117.00 112.62 3lws n LEU 182 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3lws n LEU 182 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3lws n LEU 182 CO 0.00 0.00 0.74 -0.65 -1.33 0.00 0.00 177.39 176.15 3lws h PRO 183 N 0.00 -0.19 -0.11 3.23 0.11 -1.85 0.79 132.00 133.98 3lws h PRO 183 Ca 0.00 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.15 3lws h PRO 183 Cb 0.00 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 3lws h PRO 183 CO 0.00 -0.13 -0.04 -0.92 -0.21 0.00 0.00 178.00 176.70 3lws h TYR 184 N -0.20 -0.10 0.00 0.65 3.20 -1.85 -2.99 116.97 115.68 3lws h TYR 184 Ca 0.12 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 3lws h TYR 184 Cb 0.38 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3lws h TYR 184 CO -0.32 -0.07 -0.34 1.88 -1.64 0.00 0.00 178.16 177.66 3lws h TYR 185 N -0.03 0.00 -5.26 -3.82 0.05 -1.82 -3.47 116.97 102.62 3lws h TYR 185 Ca 0.06 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.53 3lws h TYR 185 Cb 0.11 0.00 0.15 0.00 1.01 0.00 0.00 36.73 38.00 3lws h TYR 185 CO -0.17 0.34 -0.67 0.39 -1.05 0.00 0.00 178.16 177.01 3lws n GLU 186 N -3.78 -6.14 -3.90 4.88 1.02 0.27 -4.99 120.64 108.00 3lws n GLU 186 Ca -0.01 0.75 -0.11 0.00 -0.02 0.00 0.00 57.16 57.77 3lws n GLU 186 Cb 0.43 -5.50 -0.10 0.00 -0.02 0.00 0.00 31.44 26.25 3lws n GLU 186 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3lws s LYS 187 N -5.41 0.44 0.71 3.49 -0.14 -1.17 -5.07 119.74 112.59 3lws s LYS 187 Ca 0.11 -0.45 -0.11 0.00 -1.36 0.00 0.00 55.97 54.15 3lws s LYS 187 Cb -0.05 0.18 0.02 0.00 -1.68 0.00 0.00 37.83 36.30 3lws s LYS 187 CO 0.65 -0.10 1.08 0.95 -0.76 0.00 0.00 175.35 177.17 3lws s THR 188 N -1.40 3.63 0.18 2.17 -4.23 -1.26 -4.68 115.64 110.05 3lws s THR 188 Ca -0.15 0.53 -0.13 0.00 -1.18 0.00 0.00 61.69 60.76 3lws s THR 188 Cb -0.08 -3.46 0.09 0.00 1.34 0.00 0.00 72.50 70.39 3lws s THR 188 CO 0.01 -0.69 1.73 0.00 -0.54 0.00 0.00 174.62 175.13 3lws h ALA 189 N -0.69 0.55 -0.87 3.99 0.00 -1.96 -1.81 119.26 118.47 3lws h ALA 189 Ca -0.45 0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.66 3lws h ALA 189 Cb 1.24 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 3lws h ALA 189 CO 0.62 -0.28 0.50 0.00 0.00 0.00 0.00 179.25 180.09 3lws h ALA 190 N 1.35 1.29 -0.19 0.00 0.00 -1.65 -1.31 119.26 118.75 3lws h ALA 190 Ca 0.24 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 3lws h ALA 190 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3lws h ALA 190 CO -0.28 0.06 -0.35 0.93 0.00 0.00 0.00 179.25 179.61 3lws h GLU 191 N 0.78 0.39 0.22 0.00 5.08 -1.67 -0.47 114.58 118.91 3lws h GLU 191 Ca 0.44 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3lws h GLU 191 Cb 0.50 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3lws h GLU 191 CO -0.29 0.69 -0.10 0.82 -1.00 0.00 0.00 179.01 179.13 3lws h ILE 192 N 0.33 0.58 -0.25 3.13 1.08 -1.31 -3.35 117.51 117.73 3lws h ILE 192 Ca 0.04 -1.00 0.07 0.00 -0.39 0.00 0.00 64.86 63.58 3lws h ILE 192 Cb 0.77 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 3lws h ILE 192 CO 0.06 0.15 0.21 0.00 -0.69 0.00 0.00 178.15 177.88 3lws h ALA 193 N -0.57 2.08 0.00 1.87 0.00 -1.23 -1.15 119.26 120.26 3lws h ALA 193 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3lws h ALA 193 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3lws h ALA 193 CO 0.05 -0.33 0.10 0.78 0.00 0.00 0.00 179.25 179.84 3lws h GLY 194 N 0.00 0.00 1.23 0.00 0.00 -1.21 -1.53 103.07 101.56 3lws h GLY 194 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3lws h GLY 194 CO -0.00 0.00 -0.16 1.04 0.00 0.00 0.00 176.54 177.42 3lws n LEU 195 N -2.93 0.34 -4.48 3.11 4.77 -0.43 -4.91 117.00 112.46 3lws n LEU 195 Ca -0.03 0.14 -0.29 0.00 -0.03 0.00 0.00 56.01 55.80 3lws n LEU 195 Cb 0.16 -0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 40.85 3lws n LEU 195 CO 0.17 0.07 -0.50 -0.36 -1.33 0.00 0.00 177.39 175.44 3lws s PHE 196 N -2.73 2.51 0.22 -1.77 0.40 -0.58 -4.72 117.98 111.31 3lws s PHE 196 Ca 0.21 -0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.30 3lws s PHE 196 Cb 0.19 -1.33 0.19 0.00 0.51 0.00 0.00 43.02 42.58 3lws s PHE 196 CO 0.54 0.39 1.52 -0.44 0.70 0.00 0.00 175.22 177.93 3lws h ASP 197 N 3.69 0.29 -5.09 1.36 3.32 -1.15 -3.47 116.42 115.38 3lws h ASP 197 Ca -0.50 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.28 3lws h ASP 197 Cb 1.17 -0.08 -0.16 0.00 0.22 0.00 0.00 39.33 40.47 3lws h ASP 197 CO 0.46 0.86 -0.34 -0.94 -1.72 0.00 0.00 179.24 177.57 3lws s SER 198 N -6.91 0.00 -0.02 6.45 1.04 -1.15 -4.32 113.70 108.80 3lws s SER 198 Ca -0.04 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 3lws s SER 198 Cb 0.12 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.57 3lws s SER 198 CO 0.81 -0.62 0.04 -0.63 0.98 0.00 0.00 173.24 173.81 3lws s ILE 199 N -2.91 -0.02 -0.14 -1.02 1.09 -0.66 -1.43 121.20 116.11 3lws s ILE 199 Ca -0.02 0.06 -0.03 0.00 -1.10 0.00 0.00 60.65 59.56 3lws s ILE 199 Cb 0.00 -0.07 -0.03 0.00 -1.06 0.00 0.00 42.46 41.31 3lws s ILE 199 CO -0.06 0.03 -0.04 -0.47 -0.10 0.00 0.00 174.94 174.29 3lws s TYR 200 N 0.34 3.01 0.14 3.97 5.04 -0.09 -0.67 117.35 129.10 3lws s TYR 200 Ca -0.03 -0.23 0.09 0.00 -2.44 0.00 0.00 57.07 54.46 3lws s TYR 200 Cb -0.04 -1.90 -0.04 0.00 0.35 0.00 0.00 41.96 40.33 3lws s TYR 200 CO -0.01 0.05 -0.20 0.96 -1.34 0.00 0.00 175.55 175.01 3lws s ILE 201 N 0.09 1.81 0.15 3.14 -4.36 -0.72 -0.00 121.20 121.31 3lws s ILE 201 Ca -0.01 -1.79 0.10 0.00 -0.26 0.00 0.00 60.65 58.70 3lws s ILE 201 Cb -0.14 -1.75 -0.04 0.00 1.25 0.00 0.00 42.46 41.78 3lws s ILE 201 CO 0.03 -0.21 -0.22 -0.55 0.24 0.00 0.00 174.94 174.23 3lws s SER 202 N -2.39 3.59 0.00 4.36 0.15 -1.26 -1.70 113.70 116.46 3lws s SER 202 Ca 0.13 -0.73 0.11 0.00 0.70 0.00 0.00 55.95 56.16 3lws s SER 202 Cb -0.07 -0.36 0.25 0.00 -1.71 0.00 0.00 66.02 64.13 3lws s SER 202 CO 0.06 0.15 1.15 0.49 1.20 0.00 0.00 173.24 176.29 3lws n PHE 203 N 0.57 0.34 -2.08 3.44 3.72 -0.76 -4.82 117.46 117.87 3lws n PHE 203 Ca -0.15 -0.35 -0.25 0.00 -0.05 0.00 0.00 57.45 56.66 3lws n PHE 203 Cb 0.54 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 39.08 3lws n PHE 203 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 3lws n TYR 204 N 0.60 2.88 -0.50 1.38 4.11 -1.26 0.45 117.16 124.82 3lws n TYR 204 Ca 0.11 -2.40 0.39 0.00 -0.00 0.00 0.00 57.90 55.99 3lws n TYR 204 Cb 0.39 -0.33 0.61 0.00 -0.00 0.00 0.00 39.34 40.01 3lws n TYR 204 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3lws n GLY 206 N -0.67 -0.74 0.23 -7.48 0.00 -1.26 -4.16 105.19 91.10 3lws n GLY 206 Ca 0.44 0.55 0.11 0.00 0.00 0.00 0.00 46.02 47.12 3lws n GLY 206 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3lws h LEU 207 N 0.00 0.00 1.06 0.99 3.38 -1.88 -3.48 115.31 115.39 3lws h LEU 207 Ca 0.72 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 58.37 3lws h LEU 207 Cb 2.74 0.00 0.03 0.00 0.09 0.00 0.00 40.66 43.52 3lws h LEU 207 CO -0.11 0.18 -0.46 0.61 0.09 0.00 0.00 178.44 178.74 3lws n GLY 208 N 0.37 -0.27 0.00 0.83 0.00 -1.25 -4.64 105.19 100.23 3lws n GLY 208 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3lws n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lws n GLY 209 N -1.28 -1.17 0.12 -0.02 0.00 0.17 -4.95 105.19 98.06 3lws n GLY 209 Ca -0.11 -1.56 -0.24 0.00 0.00 0.00 0.00 46.02 44.10 3lws n GLY 209 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3lws n ILE 210 N -0.17 1.52 -3.63 -0.61 5.41 -1.26 -4.51 119.36 116.11 3lws n ILE 210 Ca 0.00 -0.19 -0.01 0.00 1.00 0.00 0.00 62.75 63.56 3lws n ILE 210 Cb 0.00 -2.00 -0.01 0.00 -0.71 0.00 0.00 39.64 36.92 3lws n ILE 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3lws s ALA 211 N -2.49 -2.11 0.00 -1.39 0.00 -1.26 -4.82 121.76 109.69 3lws s ALA 211 Ca -0.33 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.42 3lws s ALA 211 Cb 0.10 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.54 3lws s ALA 211 CO 0.51 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.73 3lws n GLY 212 N -0.41 2.95 3.44 0.00 0.00 -1.21 -4.78 105.19 105.18 3lws n GLY 212 Ca -0.07 -2.05 -0.17 0.00 0.00 0.00 0.00 46.02 43.73 3lws n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lws s ALA 213 N -2.56 -1.49 -0.04 4.61 0.00 -0.26 -1.82 121.76 120.19 3lws s ALA 213 Ca 0.00 1.04 0.06 0.00 0.00 0.00 0.00 51.96 53.06 3lws s ALA 213 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 3lws s ALA 213 CO 0.00 -0.34 -0.23 0.42 0.00 0.00 0.00 175.76 175.61 3lws s ILE 214 N -1.22 2.30 -0.19 0.00 -1.09 -0.69 -0.29 121.20 120.02 3lws s ILE 214 Ca -0.12 -1.00 0.01 0.00 -2.23 0.00 0.00 60.65 57.32 3lws s ILE 214 Cb -0.01 -1.84 0.04 0.00 -1.58 0.00 0.00 42.46 39.06 3lws s ILE 214 CO 0.08 0.58 -0.14 -0.22 -1.23 0.00 0.00 174.94 174.01 3lws s LEU 215 N -0.44 2.31 0.19 2.97 2.96 -0.53 -1.76 118.68 124.39 3lws s LEU 215 Ca 0.05 -0.83 0.11 0.00 -0.22 0.00 0.00 54.13 53.24 3lws s LEU 215 Cb -0.12 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 3lws s LEU 215 CO 0.01 -0.09 -0.23 0.00 -1.32 0.00 0.00 176.35 174.72 3lws s ALA 216 N 1.34 2.43 0.00 5.97 0.00 0.15 -0.71 121.76 130.94 3lws s ALA 216 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.36 3lws s ALA 216 Cb -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.66 3lws s ALA 216 CO -0.10 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.47 3lws n GLY 217 N 0.29 -0.72 3.80 0.00 0.00 -0.83 -1.66 105.19 106.07 3lws n GLY 217 Ca -0.13 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 3lws n GLY 217 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3lws s PRO 218 N -0.55 3.13 0.19 1.61 0.02 -1.26 -1.85 135.00 136.30 3lws s PRO 218 Ca 0.00 1.21 -0.12 0.00 0.02 0.00 0.00 61.00 62.11 3lws s PRO 218 Cb 0.00 -2.01 0.21 0.00 0.02 0.00 0.00 34.50 32.72 3lws s PRO 218 CO 0.00 -0.96 1.73 0.00 -0.33 0.00 0.00 177.00 177.44 3lws h ALA 219 N 0.17 0.62 -0.27 -1.55 0.00 -1.93 -1.64 119.26 114.67 3lws h ALA 219 Ca -0.46 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3lws h ALA 219 Cb 1.22 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3lws h ALA 219 CO 0.56 -0.26 -0.05 0.00 0.00 0.00 0.00 179.25 179.50 3lws h ALA 220 N 1.38 0.37 -0.64 0.00 0.00 -1.99 0.00 119.26 118.39 3lws h ALA 220 Ca 0.26 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 55.03 3lws h ALA 220 Cb 0.33 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 3lws h ALA 220 CO -0.30 0.17 0.18 0.35 0.00 0.00 0.00 179.25 179.64 3lws h PHE 221 N 0.28 0.29 -0.20 0.00 3.57 -1.80 -0.47 116.94 118.61 3lws h PHE 221 Ca 0.07 0.04 -0.20 0.00 3.53 0.00 0.00 57.97 61.40 3lws h PHE 221 Cb 0.51 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3lws h PHE 221 CO 0.05 -0.00 -0.68 0.00 -2.23 0.00 0.00 178.31 175.45 3lws h GLN 223 N 0.57 0.77 -0.06 0.00 4.20 -0.55 -0.86 115.11 119.17 3lws h GLN 223 Ca -0.02 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 3lws h GLN 223 Cb 1.30 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 3lws h GLN 223 CO 0.14 0.51 -0.49 1.15 -0.67 0.00 0.00 178.83 179.46 3lws h THR 224 N 0.79 1.35 -0.58 -0.54 2.02 -0.86 -3.01 112.91 112.07 3lws h THR 224 Ca 0.31 -1.72 -0.07 0.00 0.77 0.00 0.00 66.41 65.70 3lws h THR 224 Cb 0.15 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 3lws h THR 224 CO -0.17 0.50 0.07 0.00 0.37 0.00 0.00 175.52 176.30 3lws h ALA 225 N 1.36 1.04 -0.19 6.16 0.00 0.29 -2.31 119.26 125.61 3lws h ALA 225 Ca 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3lws h ALA 225 Cb 0.92 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3lws h ALA 225 CO 0.07 0.61 -0.18 0.00 0.00 0.00 0.00 179.25 179.76 3lws h ARG 226 N 0.89 0.33 -0.17 0.00 3.08 -1.07 0.92 114.38 118.36 3lws h ARG 226 Ca 0.18 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3lws h ARG 226 Cb 0.42 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3lws h ARG 226 CO 0.01 0.50 -0.06 0.82 -1.07 0.00 0.00 179.97 180.18 3lws h ILE 227 N 0.30 1.30 -0.89 2.04 2.04 -1.45 -1.95 117.51 118.90 3lws h ILE 227 Ca 0.06 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 64.87 3lws h ILE 227 Cb 0.49 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 3lws h ILE 227 CO 0.03 0.31 0.59 -0.50 0.00 0.00 0.00 178.15 178.59 3lws h TRP 228 N 0.04 1.12 -0.83 1.37 4.06 -1.20 -2.06 115.95 118.45 3lws h TRP 228 Ca 0.04 0.03 0.16 0.00 2.06 0.00 0.00 58.89 61.18 3lws h TRP 228 Cb 0.51 -0.38 -0.10 0.00 -1.00 0.00 0.00 29.16 28.19 3lws h TRP 228 CO 0.06 0.71 0.38 -0.22 -3.56 0.00 0.00 178.44 175.81 3lws h LYS 229 N 1.21 0.51 -0.21 0.49 3.64 -0.46 0.16 116.57 121.91 3lws h LYS 229 Ca 0.33 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.59 3lws h LYS 229 Cb -0.14 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3lws h LYS 229 CO -0.07 0.34 -0.22 -0.09 -2.27 0.00 0.00 179.45 177.14 3lws h ARG 230 N 0.52 0.51 -0.71 1.90 9.65 -1.08 -1.44 114.38 123.74 3lws h ARG 230 Ca 0.47 -0.27 0.11 0.00 -1.10 0.00 0.00 59.98 59.19 3lws h ARG 230 Cb 0.73 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.24 3lws h ARG 230 CO -0.41 0.86 0.30 0.00 2.80 0.00 0.00 179.97 183.52 3lws h ARG 231 N 0.19 0.48 0.00 0.20 3.08 -0.65 -1.07 114.38 116.61 3lws h ARG 231 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3lws h ARG 231 Cb 0.77 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3lws h ARG 231 CO 0.05 0.32 0.00 0.66 -1.07 0.00 0.00 179.97 179.93 3lws n TYR 232 N -4.95 0.77 -1.20 3.04 4.02 -0.03 -4.87 117.16 113.94 3lws n TYR 232 Ca 0.12 0.29 -0.02 0.00 -0.01 0.00 0.00 57.90 58.28 3lws n TYR 232 Cb 0.33 -0.97 -0.01 0.00 -0.02 0.00 0.00 39.34 38.67 3lws n TYR 232 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3lws n GLY 233 N 0.14 0.49 0.17 2.72 0.00 -0.40 -4.92 105.19 103.38 3lws n GLY 233 Ca 0.03 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.20 3lws n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lws n GLY 234 N -2.50 -0.79 2.81 -0.02 0.00 -0.57 -4.68 105.19 99.44 3lws n GLY 234 Ca -0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3lws n GLY 234 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3lws n ASP 235 N -0.93 4.53 -4.80 1.61 2.03 -1.05 -4.63 116.55 113.32 3lws n ASP 235 Ca 0.09 -2.99 -0.34 0.00 0.52 0.00 0.00 54.79 52.07 3lws n ASP 235 Cb 0.35 -1.56 -0.05 0.00 -0.72 0.00 0.00 41.12 39.14 3lws n ASP 235 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3lws s LEU 236 N 0.95 3.95 0.34 -2.67 1.02 -1.26 -4.76 118.68 116.25 3lws s LEU 236 Ca 0.43 1.86 0.08 0.00 0.02 0.00 0.00 54.13 56.52 3lws s LEU 236 Cb 0.12 -4.47 0.79 0.00 0.02 0.00 0.00 46.19 42.64 3lws s LEU 236 CO -0.04 -0.56 1.83 -0.29 0.02 0.00 0.00 176.35 177.31 3lws h ILE 237 N 1.83 0.79 -3.20 -0.59 2.10 -1.93 -3.28 117.51 113.23 3lws h ILE 237 Ca -0.49 -0.25 -0.44 0.00 1.08 0.00 0.00 64.86 64.76 3lws h ILE 237 Cb 1.20 -0.00 -0.40 0.00 -1.09 0.00 0.00 36.82 36.53 3lws h ILE 237 CO 0.60 0.13 -0.75 -0.44 -1.08 0.00 0.00 178.15 176.61 3lws s SER 238 N -5.63 2.00 0.00 2.19 0.01 -1.26 -2.38 113.70 108.62 3lws s SER 238 Ca -0.10 -0.37 0.14 0.00 1.31 0.00 0.00 55.95 56.92 3lws s SER 238 Cb 0.23 -0.33 0.12 0.00 0.21 0.00 0.00 66.02 66.25 3lws s SER 238 CO 0.80 -0.28 0.95 0.18 0.41 0.00 0.00 173.24 175.29 3lws n LEU 239 N 5.21 2.19 0.24 2.44 4.77 -1.26 -4.70 117.00 125.89 3lws n LEU 239 Ca -0.06 -1.05 0.09 0.00 -0.03 0.00 0.00 56.01 54.95 3lws n LEU 239 Cb 0.49 -0.02 0.65 0.00 -2.33 0.00 0.00 43.42 42.22 3lws n LEU 239 CO 0.10 0.41 1.08 0.10 -1.33 0.00 0.00 177.39 177.75 3lws h TYR 240 N 2.65 0.00 -0.63 -1.77 -0.00 -1.94 0.31 116.97 115.59 3lws h TYR 240 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 58.73 58.88 3lws h TYR 240 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.27 3lws h TYR 240 CO 0.02 0.00 0.44 -1.35 -0.00 0.00 0.00 178.16 177.26 3lws h PRO 241 N 0.00 0.21 0.08 0.10 0.11 -2.01 -0.90 132.00 129.58 3lws h PRO 241 Ca 0.02 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.81 3lws h PRO 241 Cb 0.08 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3lws h PRO 241 CO -0.00 0.14 -1.68 1.88 -0.21 0.00 0.00 178.00 178.13 3lws h TYR 242 N 0.21 0.30 0.11 0.65 0.05 -0.77 -3.32 116.97 114.20 3lws h TYR 242 Ca 0.30 -0.22 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 3lws h TYR 242 Cb 0.90 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.63 3lws h TYR 242 CO -0.00 1.34 -0.05 0.82 -1.05 0.00 0.00 178.16 179.22 3lws h ILE 243 N 0.04 1.10 -0.77 -2.88 2.04 -0.78 0.70 117.51 116.95 3lws h ILE 243 Ca -0.29 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 64.57 3lws h ILE 243 Cb 2.01 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 39.76 3lws h ILE 243 CO 0.12 0.24 0.50 0.58 0.00 0.00 0.00 178.15 179.59 3lws h VAL 244 N -0.64 1.17 -0.20 1.67 2.07 -1.39 -0.91 116.25 118.01 3lws h VAL 244 Ca -0.02 -0.35 -0.16 0.00 0.82 0.00 0.00 66.70 66.99 3lws h VAL 244 Cb 0.50 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3lws h VAL 244 CO 0.02 0.18 -0.55 0.77 0.02 0.00 0.00 177.57 178.02 3lws h SER 245 N 1.01 0.65 -0.14 0.57 4.64 -1.65 -1.27 113.55 117.36 3lws h SER 245 Ca 0.29 -0.35 0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3lws h SER 245 Cb -0.07 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.80 3lws h SER 245 CO -0.08 1.07 -0.06 0.00 -0.87 0.00 0.00 176.83 176.89 3lws h ALA 246 N 0.94 0.06 -0.78 5.18 0.00 -0.34 -2.59 119.26 121.73 3lws h ALA 246 Ca 0.01 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3lws h ALA 246 Cb 1.10 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3lws h ALA 246 CO 0.11 -0.51 0.32 0.22 0.00 0.00 0.00 179.25 179.39 3lws h ASP 247 N -0.04 1.06 -0.29 0.00 1.82 -1.09 -1.21 116.42 116.67 3lws h ASP 247 Ca 0.08 -0.16 0.02 0.00 -0.39 0.00 0.00 57.03 56.58 3lws h ASP 247 Cb 0.16 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.87 3lws h ASP 247 CO -0.17 0.93 0.13 0.22 -1.61 0.00 0.00 179.24 178.74 3lws h TYR 248 N 1.13 0.24 0.00 0.28 3.20 -1.07 -0.56 116.97 120.19 3lws h TYR 248 Ca 0.26 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 62.00 3lws h TYR 248 Cb 0.20 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3lws h TYR 248 CO 0.02 0.13 -0.70 1.88 -1.64 0.00 0.00 178.16 177.85 3lws h TYR 249 N 0.28 0.00 0.53 -3.82 0.05 -1.38 -0.83 116.97 111.81 3lws h TYR 249 Ca 0.12 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 3lws h TYR 249 Cb 0.05 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.80 3lws h TYR 249 CO -0.11 0.65 -0.26 -0.92 -1.05 0.00 0.00 178.16 176.48 3lws h TYR 250 N 0.00 -0.66 -0.96 4.88 3.20 -1.10 0.84 116.97 123.17 3lws h TYR 250 Ca -0.02 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.88 3lws h TYR 250 Cb 1.51 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 39.94 3lws h TYR 250 CO 0.00 -0.37 0.63 0.93 -1.64 0.00 0.00 178.16 177.70 3lws h GLU 251 N -0.81 1.14 -0.31 1.82 4.39 -1.06 -0.49 114.58 119.26 3lws h GLU 251 Ca -0.07 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3lws h GLU 251 Cb 0.59 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3lws h GLU 251 CO 0.12 0.76 0.17 1.25 -1.16 0.00 0.00 179.01 180.15 3lws h LEU 252 N 1.18 0.39 -1.53 1.33 5.85 -1.08 -3.38 115.31 118.06 3lws h LEU 252 Ca 0.39 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3lws h LEU 252 Cb 0.06 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3lws h LEU 252 CO -0.13 0.37 0.00 0.54 -0.34 0.00 0.00 178.44 178.88 3lws n ARG 253 N -4.80 0.44 0.33 1.25 1.74 0.28 -4.70 116.66 111.20 3lws n ARG 253 Ca -0.01 -1.07 0.21 0.00 -0.77 0.00 0.00 57.85 56.20 3lws n ARG 253 Cb 0.08 -1.14 1.12 0.00 -1.02 0.00 0.00 32.46 31.50 3lws n ARG 253 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 3lws h LYS 254 N 1.39 0.00 -0.39 5.56 2.10 -1.28 -1.81 116.57 122.13 3lws h LYS 254 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3lws h LYS 254 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 3lws h LYS 254 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3lws n ASP 255 N -3.26 3.80 -3.90 7.07 8.00 -1.26 -4.95 116.55 122.05 3lws n ASP 255 Ca -0.03 -2.51 -0.41 0.00 0.71 0.00 0.00 54.79 52.55 3lws n ASP 255 Cb 0.09 -0.44 -0.00 0.00 -0.02 0.00 0.00 41.12 40.74 3lws n ASP 255 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3lws n ARG 256 N 0.28 4.31 0.00 -1.24 1.74 -0.68 -4.71 116.66 116.36 3lws n ARG 256 Ca 0.19 -4.58 0.00 0.00 -0.77 0.00 0.00 57.85 52.69 3lws n ARG 256 Cb 0.73 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 3lws n ARG 256 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3lws n GLY 258 N 1.16 0.00 0.30 -0.13 0.00 -1.26 -1.51 105.19 103.75 3lws n GLY 258 Ca 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 3lws n GLY 258 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3lws h GLN 259 N 0.00 0.83 -0.52 1.61 3.07 -2.00 -1.63 115.11 116.47 3lws h GLN 259 Ca 0.00 -0.17 -0.10 0.00 0.09 0.00 0.00 58.65 58.47 3lws h GLN 259 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 27.42 3lws h GLN 259 CO 0.00 0.75 -0.06 1.88 0.09 0.00 0.00 178.83 181.49 3lws h TYR 260 N 0.80 1.02 -0.27 0.06 0.05 -1.63 -0.35 116.97 116.65 3lws h TYR 260 Ca 0.17 -0.18 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 3lws h TYR 260 Cb 0.30 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3lws h TYR 260 CO 0.02 0.95 0.04 -0.92 -1.05 0.00 0.00 178.16 177.19 3lws h TYR 261 N 0.85 0.48 -0.81 4.88 3.20 -1.73 0.86 116.97 124.69 3lws h TYR 261 Ca 0.15 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.99 3lws h TYR 261 Cb 0.58 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 3lws h TYR 261 CO 0.04 0.56 0.51 0.93 -1.64 0.00 0.00 178.16 178.56 3lws h GLU 262 N 0.25 0.94 -0.34 1.82 4.39 -1.15 -0.94 114.58 119.55 3lws h GLU 262 Ca 0.08 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 3lws h GLU 262 Cb 0.35 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3lws h GLU 262 CO 0.01 0.62 -0.34 1.96 -1.16 0.00 0.00 179.01 180.10 3lws h GLN 263 N 0.97 0.78 -0.49 2.33 4.20 -0.90 -2.38 115.11 119.61 3lws h GLN 263 Ca 0.34 -0.37 0.01 0.00 0.06 0.00 0.00 58.65 58.68 3lws h GLN 263 Cb 0.07 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3lws h GLN 263 CO -0.14 1.00 0.32 0.00 -0.67 0.00 0.00 178.83 179.34 3lws h ALA 264 N 0.97 0.63 -0.91 3.87 0.00 -0.31 -1.05 119.26 122.46 3lws h ALA 264 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3lws h ALA 264 Cb 0.88 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3lws h ALA 264 CO 0.08 0.06 0.58 0.87 0.00 0.00 0.00 179.25 180.84 3lws h LYS 265 N 0.66 1.21 -0.59 0.00 1.57 -1.03 -0.57 116.57 117.81 3lws h LYS 265 Ca 0.18 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3lws h LYS 265 Cb -0.06 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 31.96 3lws h LYS 265 CO -0.05 0.81 0.12 1.96 -0.57 0.00 0.00 179.45 181.73 3lws h GLN 266 N 1.24 0.96 -0.14 3.15 4.20 -1.01 -1.87 115.11 121.64 3lws h GLN 266 Ca 0.33 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3lws h GLN 266 Cb -0.11 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 3lws h GLN 266 CO -0.07 0.89 0.05 -0.07 -0.67 0.00 0.00 178.83 178.97 3lws h LEU 267 N 0.87 0.19 -1.24 1.46 3.38 -0.68 -2.58 115.31 116.71 3lws h LEU 267 Ca 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3lws h LEU 267 Cb 0.38 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3lws h LEU 267 CO 0.01 0.31 0.23 0.00 0.09 0.00 0.00 178.44 179.08 3lws h ALA 268 N 0.89 1.41 -0.55 1.53 0.00 -1.02 -0.79 119.26 120.72 3lws h ALA 268 Ca 0.05 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3lws h ALA 268 Cb 0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3lws h ALA 268 CO -0.00 0.46 0.34 1.49 0.00 0.00 0.00 179.25 181.53 3lws h GLU 269 N 0.76 0.65 -0.56 0.00 4.81 -1.28 0.15 114.58 119.10 3lws h GLU 269 Ca 0.18 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3lws h GLU 269 Cb 0.12 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3lws h GLU 269 CO -0.02 0.43 0.24 1.96 -0.73 0.00 0.00 179.01 180.89 3lws h GLN 270 N 0.67 0.83 -0.19 1.92 1.08 -0.79 -3.01 115.11 115.62 3lws h GLN 270 Ca 0.22 -0.14 -0.12 0.00 -1.45 0.00 0.00 58.65 57.16 3lws h GLN 270 Cb 0.01 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 3lws h GLN 270 CO -0.09 0.70 -0.37 0.74 -0.95 0.00 0.00 178.83 178.86 3lws h PHE 271 N 0.77 0.73 0.00 2.96 0.04 -0.75 -2.95 116.94 117.73 3lws h PHE 271 Ca 0.19 -0.26 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 3lws h PHE 271 Cb 0.17 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 3lws h PHE 271 CO 0.00 1.01 -0.05 -0.91 -0.60 0.00 0.00 178.31 177.76 3lws h ASN 272 N 0.24 0.00 0.59 2.17 2.35 -0.78 -1.89 115.58 118.27 3lws h ASN 272 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3lws h ASN 272 Cb 0.96 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.33 3lws h ASN 272 CO 0.08 0.05 0.00 0.00 -1.65 0.00 0.00 177.43 175.91 3lws n ALA 273 N -2.49 1.75 -2.71 -0.83 0.00 -1.12 -4.73 120.51 110.39 3lws n ALA 273 Ca -0.03 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 3lws n ALA 273 Cb 0.13 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 3lws n ALA 273 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3lws s LEU 274 N -3.15 4.36 0.18 0.00 1.43 -0.71 -5.04 118.68 115.75 3lws s LEU 274 Ca 0.08 1.56 -0.30 0.00 -1.03 0.00 0.00 54.13 54.43 3lws s LEU 274 Cb 0.11 -3.47 -0.09 0.00 0.03 0.00 0.00 46.19 42.77 3lws s LEU 274 CO 0.31 -0.23 1.34 -2.84 0.23 0.00 0.00 176.35 175.16 3lws s PRO 275 N 0.98 4.36 0.00 1.29 0.02 -1.26 -2.59 135.00 137.79 3lws s PRO 275 Ca 0.49 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.59 3lws s PRO 275 Cb -0.20 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.12 3lws s PRO 275 CO 0.26 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 177.03 3lws n GLY 276 N 2.62 0.63 2.92 0.52 0.00 -1.26 -4.93 105.19 105.68 3lws n GLY 276 Ca 0.07 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 3lws n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lws s VAL 277 N -2.00 0.34 0.17 1.61 1.01 -1.07 -1.34 120.40 119.13 3lws s VAL 277 Ca 0.00 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 3lws s VAL 277 Cb 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 36.09 3lws s VAL 277 CO 0.00 0.12 0.50 -1.38 0.00 0.00 0.00 175.10 174.34 3lws s HIS 278 N 0.22 -0.19 0.13 5.22 -3.43 -0.79 -4.45 115.29 111.99 3lws s HIS 278 Ca -0.02 -0.13 0.04 0.00 -0.80 0.00 0.00 55.06 54.14 3lws s HIS 278 Cb -0.05 0.38 -0.04 0.00 -1.43 0.00 0.00 32.58 31.44 3lws s HIS 278 CO -0.00 -0.86 0.16 0.95 -2.00 0.00 0.00 174.74 172.99 3lws s THR 279 N -3.84 4.76 -0.18 -5.38 -4.23 -1.26 -0.19 115.64 105.31 3lws s THR 279 Ca 0.07 -0.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 3lws s THR 279 Cb -0.00 -3.40 0.04 0.00 1.34 0.00 0.00 72.50 70.48 3lws s THR 279 CO -0.06 -0.03 -0.10 0.42 -0.54 0.00 0.00 174.62 174.31 3lws s THR 280 N -1.65 1.54 0.65 3.99 -4.23 -0.05 -3.15 115.64 112.74 3lws s THR 280 Ca 0.32 -0.88 -0.14 0.00 -1.18 0.00 0.00 61.69 59.81 3lws s THR 280 Cb -0.11 -1.60 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 3lws s THR 280 CO 0.25 0.21 1.07 -2.16 -0.54 0.00 0.00 174.62 173.45 3lws s PRO 281 N 1.45 3.01 0.23 3.99 0.04 -1.26 -1.33 135.00 141.13 3lws s PRO 281 Ca 0.00 1.19 -0.07 0.00 0.04 0.00 0.00 61.00 62.16 3lws s PRO 281 Cb -0.15 -1.99 0.39 0.00 0.04 0.00 0.00 34.50 32.78 3lws s PRO 281 CO -0.09 -1.06 1.70 1.49 0.04 0.00 0.00 177.00 179.08 3lws h GLU 282 N -0.06 0.27 -4.80 4.56 4.81 -1.95 -3.34 114.58 114.08 3lws h GLU 282 Ca -0.46 -0.02 -0.68 0.00 -0.13 0.00 0.00 59.36 58.07 3lws h GLU 282 Cb 1.22 -0.06 -0.33 0.00 0.63 0.00 0.00 28.75 30.21 3lws h GLU 282 CO 0.56 0.18 -0.72 0.08 -0.73 0.00 0.00 179.01 178.38 3lws s VAL 283 N -6.07 2.89 0.35 0.32 1.01 -1.26 -4.78 120.40 112.86 3lws s VAL 283 Ca -0.13 -1.37 -0.25 0.00 0.00 0.00 0.00 61.98 60.23 3lws s VAL 283 Cb 0.20 -2.64 -0.13 0.00 0.00 0.00 0.00 36.38 33.81 3lws s VAL 283 CO 0.75 -0.06 0.86 -2.65 0.00 0.00 0.00 175.10 174.00 3lws n PRO 284 N 4.61 1.06 -0.34 2.72 -0.02 -1.25 -4.90 135.00 136.87 3lws n PRO 284 Ca -0.14 0.38 0.08 0.00 -2.02 0.00 0.00 63.50 61.80 3lws n PRO 284 Cb 0.44 -1.76 0.24 0.00 -0.02 0.00 0.00 33.50 32.40 3lws n PRO 284 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3lws n VAL 285 N -0.28 1.34 -3.11 -1.45 0.24 -1.26 -4.86 118.33 108.94 3lws n VAL 285 Ca 0.11 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.24 3lws n VAL 285 Cb 0.35 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 3lws n VAL 285 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3lws n SER 286 N 0.71 0.00 -0.93 -1.34 3.41 -1.26 -4.48 113.62 109.73 3lws n SER 286 Ca 0.18 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 3lws n SER 286 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 3lws n SER 286 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3lws n ASN 287 N -0.51 1.14 0.00 4.04 6.94 -1.26 -4.47 115.26 121.14 3lws n ASN 287 Ca 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 54.58 53.72 3lws n ASN 287 Cb 0.00 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 3lws n ASN 287 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 3lws n PHE 289 N 0.72 0.00 -3.80 -2.53 -1.74 -0.46 0.11 117.46 109.77 3lws n PHE 289 Ca 0.00 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.52 3lws n PHE 289 Cb 0.20 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.13 3lws n PHE 289 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 3lws s HIS 290 N -2.00 3.60 -0.26 2.97 3.76 -0.44 -0.89 115.29 122.02 3lws s HIS 290 Ca 0.00 0.59 -0.08 0.00 -0.15 0.00 0.00 55.06 55.41 3lws s HIS 290 Cb 0.00 -2.02 -0.03 0.00 1.11 0.00 0.00 32.58 31.64 3lws s HIS 290 CO 0.00 0.67 0.11 -1.17 -0.85 0.00 0.00 174.74 173.50 3lws s LEU 291 N -0.88 3.66 -0.17 0.89 2.96 0.11 -0.87 118.68 124.38 3lws s LEU 291 Ca 0.16 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3lws s LEU 291 Cb -0.13 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3lws s LEU 291 CO 0.05 -0.06 0.03 -1.00 -1.32 0.00 0.00 176.35 174.05 3lws s HIS 292 N 1.65 3.18 -0.20 5.38 3.76 0.73 -1.40 115.29 128.39 3lws s HIS 292 Ca 0.06 -0.04 -0.01 0.00 -0.15 0.00 0.00 55.06 54.92 3lws s HIS 292 Cb -0.16 -2.03 0.01 0.00 1.11 0.00 0.00 32.58 31.51 3lws s HIS 292 CO 0.06 0.11 -0.12 -0.06 -0.85 0.00 0.00 174.74 173.88 3lws s PHE 293 N 0.32 2.87 0.25 1.40 0.40 0.10 -1.89 117.98 121.43 3lws s PHE 293 Ca 0.01 -1.27 -0.31 0.00 -0.60 0.00 0.00 56.93 54.76 3lws s PHE 293 Cb -0.13 -2.01 -0.13 0.00 0.51 0.00 0.00 43.02 41.26 3lws s PHE 293 CO 0.01 -0.67 1.39 -0.25 0.70 0.00 0.00 175.22 176.40 3lws n ASP 294 N 4.69 2.70 0.00 1.36 9.92 -0.45 -1.15 116.55 133.62 3lws n ASP 294 Ca -0.20 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.21 3lws n ASP 294 Cb 0.50 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 3lws n ASP 294 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3lws n GLY 295 N 2.02 1.08 3.88 0.44 0.00 -0.78 -4.88 105.19 106.96 3lws n GLY 295 Ca 0.11 -2.08 -0.23 0.00 0.00 0.00 0.00 46.02 43.82 3lws n GLY 295 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3lws s GLN 296 N -1.57 2.39 0.39 1.61 -1.52 -1.26 -2.66 119.66 117.04 3lws s GLN 296 Ca 0.00 -1.75 0.08 0.00 -1.95 0.00 0.00 55.36 51.74 3lws s GLN 296 Cb 0.00 -2.26 0.81 0.00 -0.22 0.00 0.00 33.01 31.34 3lws s GLN 296 CO 0.00 -0.39 1.99 0.00 -0.25 0.00 0.00 175.29 176.64 3lws h ALA 297 N 0.90 1.60 0.00 6.09 0.00 -1.94 0.52 119.26 126.43 3lws h ALA 297 Ca -0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3lws h ALA 297 Cb 1.28 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3lws h ALA 297 CO 0.57 0.31 -0.04 0.00 0.00 0.00 0.00 179.25 180.10 3lws h ALA 298 N 1.68 1.89 0.13 0.00 0.00 -2.00 -0.62 119.26 120.33 3lws h ALA 298 Ca 0.11 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 3lws h ALA 298 Cb 0.14 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3lws h ALA 298 CO -0.01 0.04 -1.24 -0.44 0.00 0.00 0.00 179.25 177.61 3lws h ASP 299 N 0.00 0.42 0.30 0.00 3.32 -1.46 -3.42 116.42 115.58 3lws h ASP 299 Ca -0.00 -0.88 -0.33 0.00 0.02 0.00 0.00 57.03 55.84 3lws h ASP 299 Cb 0.07 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3lws h ASP 299 CO 0.00 1.56 -1.89 -0.38 -1.72 0.00 0.00 179.24 176.81 3lws n ILE 300 N -3.98 1.65 -0.23 0.35 2.08 -0.00 -4.33 119.36 114.90 3lws n ILE 300 Ca -0.21 -0.74 -0.02 0.00 0.56 0.00 0.00 62.75 62.33 3lws n ILE 300 Cb 0.89 -1.27 0.09 0.00 -0.75 0.00 0.00 39.64 38.60 3lws n ILE 300 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 3lws h SER 301 N 0.03 0.60 -0.53 4.38 0.87 -1.34 -1.57 113.55 115.99 3lws h SER 301 Ca -0.37 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.24 3lws h SER 301 Cb 2.03 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.86 3lws h SER 301 CO 0.07 0.40 0.35 -0.65 -0.53 0.00 0.00 176.83 176.47 3lws h PRO 302 N 0.74 0.61 -0.36 2.24 0.11 -1.79 0.82 132.00 134.38 3lws h PRO 302 Ca 0.29 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 3lws h PRO 302 Cb 0.13 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3lws h PRO 302 CO -0.15 0.40 -0.03 0.87 -0.21 0.00 0.00 178.00 178.88 3lws h LYS 303 N 0.63 0.65 -0.25 1.05 1.57 -1.50 -2.69 116.57 116.02 3lws h LYS 303 Ca 0.21 -0.22 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 3lws h LYS 303 Cb 0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3lws h LYS 303 CO -0.05 0.78 -0.43 -0.07 -0.57 0.00 0.00 179.45 179.10 3lws h LEU 304 N 0.45 0.65 0.04 2.94 3.38 -1.13 -2.94 115.31 118.70 3lws h LEU 304 Ca 0.10 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.79 3lws h LEU 304 Cb 0.51 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3lws h LEU 304 CO 0.02 1.00 -0.23 -0.08 0.09 0.00 0.00 178.44 179.24 3lws h GLU 305 N 0.49 -0.37 -0.47 1.13 4.81 -0.79 -2.09 114.58 117.29 3lws h GLU 305 Ca 0.04 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 3lws h GLU 305 Cb 0.96 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3lws h GLU 305 CO 0.09 -0.25 0.01 0.37 -0.73 0.00 0.00 179.01 178.50 3lws h GLN 306 N -0.38 0.77 -0.47 1.92 4.15 -1.50 0.15 115.11 119.75 3lws h GLN 306 Ca 0.05 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 3lws h GLN 306 Cb 0.44 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 3lws h GLN 306 CO -0.18 0.78 0.18 0.28 -1.93 0.00 0.00 178.83 177.96 3lws h VAL 307 N 0.73 1.21 0.02 2.39 2.07 -1.43 -1.74 116.25 119.49 3lws h VAL 307 Ca 0.14 -0.66 -0.22 0.00 0.82 0.00 0.00 66.70 66.78 3lws h VAL 307 Cb 0.43 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3lws h VAL 307 CO 0.02 0.25 -1.09 1.56 0.02 0.00 0.00 177.57 178.33 3lws h GLN 308 N 0.62 0.04 0.05 1.57 4.20 -1.01 -0.68 115.11 119.89 3lws h GLN 308 Ca 0.16 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3lws h GLN 308 Cb 0.21 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3lws h GLN 308 CO -0.01 0.99 -0.02 0.93 -0.67 0.00 0.00 178.83 180.05 3lws h GLU 309 N 0.01 -0.06 -0.19 1.46 5.08 -0.71 -2.16 114.58 118.01 3lws h GLU 309 Ca -0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3lws h GLU 309 Cb 1.82 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 3lws h GLU 309 CO 0.14 0.24 -0.03 0.93 -1.00 0.00 0.00 179.01 179.28 3lws h GLU 310 N -0.36 0.36 0.15 2.33 5.08 -1.31 -3.33 114.58 117.49 3lws h GLU 310 Ca -0.01 -0.13 -0.29 0.00 -1.00 0.00 0.00 59.36 57.93 3lws h GLU 310 Cb 0.33 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.56 3lws h GLU 310 CO 0.01 0.60 -1.31 1.79 -1.00 0.00 0.00 179.01 179.10 3lws h THR 311 N 0.08 1.43 -0.02 1.13 1.35 -1.23 -3.48 112.91 112.17 3lws h THR 311 Ca 0.05 -2.98 -0.01 0.00 -0.55 0.00 0.00 66.41 62.92 3lws h THR 311 Cb 0.46 2.94 -0.00 0.00 -1.73 0.00 0.00 68.15 69.82 3lws h THR 311 CO 0.02 0.87 -0.01 0.61 -0.25 0.00 0.00 175.52 176.76 3lws n GLY 312 N 1.58 0.45 3.27 5.82 0.00 -0.81 -4.99 105.19 110.51 3lws n GLY 312 Ca -0.11 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 3lws n GLY 312 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3lws s LEU 313 N -0.10 2.43 -0.42 0.99 2.96 -1.26 -1.28 118.68 122.00 3lws s LEU 313 Ca 0.00 -0.47 -0.22 0.00 -0.22 0.00 0.00 54.13 53.23 3lws s LEU 313 Cb 0.00 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.17 3lws s LEU 313 CO 0.00 0.11 0.72 -0.83 -1.32 0.00 0.00 176.35 175.03 3lws s GLY 314 N 0.63 1.67 -0.19 7.98 0.00 0.18 -4.48 107.32 113.11 3lws s GLY 314 Ca -0.09 -0.99 -0.03 0.00 0.00 0.00 0.00 44.72 43.61 3lws s GLY 314 CO 0.03 1.65 0.07 0.69 0.00 0.00 0.00 173.10 175.54 3lws n PHE 315 N 6.42 0.63 -3.69 1.90 3.01 -1.26 -1.15 117.46 123.32 3lws n PHE 315 Ca 0.01 0.14 -0.17 0.00 1.01 0.00 0.00 57.45 58.43 3lws n PHE 315 Cb 0.48 -1.08 -0.16 0.00 -0.01 0.00 0.00 39.48 38.71 3lws n PHE 315 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3lws s VAL 316 N -2.54 -0.15 0.00 -4.37 1.01 -1.26 -4.82 120.40 108.27 3lws s VAL 316 Ca -0.29 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.07 3lws s VAL 316 Cb 0.08 -0.21 -0.25 0.00 0.00 0.00 0.00 36.38 36.00 3lws s VAL 316 CO 0.68 0.14 0.84 1.23 0.00 0.00 0.00 175.10 177.99 3lws h GLY 317 N 8.06 0.13 -3.26 4.51 0.00 -1.94 -3.43 103.07 107.14 3lws h GLY 317 Ca -0.22 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 46.83 3lws h GLY 317 CO 0.24 0.28 0.35 -2.52 0.00 0.00 0.00 176.54 174.89 3lws s TYR 318 N -2.62 -0.45 0.06 5.60 1.13 -1.26 -3.58 117.35 116.23 3lws s TYR 318 Ca -0.06 0.33 0.07 0.00 -1.41 0.00 0.00 57.07 55.99 3lws s TYR 318 Cb 0.08 0.54 -0.03 0.00 -1.10 0.00 0.00 41.96 41.45 3lws s TYR 318 CO 0.83 -0.68 -0.19 -0.51 -2.51 0.00 0.00 175.55 172.48 3lws s LEU 319 N -2.49 2.21 -0.17 -3.49 1.43 -1.26 -4.52 118.68 110.38 3lws s LEU 319 Ca 0.02 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3lws s LEU 319 Cb -0.01 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.37 3lws s LEU 319 CO -0.10 0.10 -0.20 -0.69 0.23 0.00 0.00 176.35 175.69 3lws s VAL 320 N -0.94 2.03 0.30 -1.59 1.01 -0.06 -4.92 120.40 116.23 3lws s VAL 320 Ca 0.06 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 3lws s VAL 320 Cb -0.09 -1.83 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 3lws s VAL 320 CO 0.02 0.54 1.18 -1.81 0.00 0.00 0.00 175.10 175.03 3lws s ASP 321 N 1.26 7.07 0.00 3.32 1.01 -1.26 -1.41 116.67 126.66 3lws s ASP 321 Ca 0.04 2.44 0.00 0.00 0.71 0.00 0.00 52.55 55.74 3lws s ASP 321 Cb -0.13 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.16 3lws s ASP 321 CO -0.12 -0.30 0.00 0.29 0.21 0.00 0.00 175.17 175.25 3lws n LYS 322 N 1.05 1.28 -2.58 8.23 4.76 0.20 -4.94 118.16 126.15 3lws n LYS 322 Ca -0.01 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.02 3lws n LYS 322 Cb 0.44 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.60 3lws n LYS 322 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3lws s ASP 323 N 0.42 6.27 0.00 4.39 -1.08 -1.26 -3.77 116.67 121.64 3lws s ASP 323 Ca 0.00 -0.82 0.00 0.00 -0.52 0.00 0.00 52.55 51.21 3lws s ASP 323 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 3lws s ASP 323 CO 0.00 -1.70 0.00 0.61 0.52 0.00 0.00 175.17 174.60 3lws n GLY 324 N 5.82 0.48 3.60 2.66 0.00 -1.26 -4.97 105.19 111.52 3lws n GLY 324 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 3lws n GLY 324 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3lws s TYR 325 N -2.09 0.46 0.04 1.61 1.13 -1.19 -1.87 117.35 115.44 3lws s TYR 325 Ca 0.00 -0.83 0.02 0.00 -1.41 0.00 0.00 57.07 54.85 3lws s TYR 325 Cb 0.00 0.21 -0.02 0.00 -1.10 0.00 0.00 41.96 41.04 3lws s TYR 325 CO 0.00 -1.08 -0.07 0.00 -2.51 0.00 0.00 175.55 171.89 3lws s SER 327 N -1.53 2.97 0.06 0.00 0.15 -0.50 0.02 113.70 114.87 3lws s SER 327 Ca -0.11 -0.89 -0.07 0.00 0.70 0.00 0.00 55.95 55.57 3lws s SER 327 Cb -0.10 -0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.01 3lws s SER 327 CO 0.00 0.01 0.15 0.28 1.20 0.00 0.00 173.24 174.88 3lws s THR 328 N -2.06 0.14 -0.18 6.45 -1.32 -0.49 -0.88 115.64 117.30 3lws s THR 328 Ca 0.19 -1.14 -0.06 0.00 -1.21 0.00 0.00 61.69 59.47 3lws s THR 328 Cb -0.06 -1.13 -0.04 0.00 -1.51 0.00 0.00 72.50 69.76 3lws s THR 328 CO 0.08 -0.63 0.03 -0.70 -2.21 0.00 0.00 174.62 171.20 3lws s GLU 329 N -3.21 3.85 -0.13 7.08 2.12 -1.26 0.06 118.70 127.20 3lws s GLU 329 Ca 0.00 -0.41 -0.02 0.00 0.36 0.00 0.00 54.97 54.90 3lws s GLU 329 Cb 0.02 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 3lws s GLU 329 CO -0.07 0.22 -0.06 0.42 -0.54 0.00 0.00 175.26 175.22 3lws s ILE 330 N 0.49 3.67 -0.24 -3.70 -1.09 -0.07 -4.99 121.20 115.26 3lws s ILE 330 Ca 0.01 -0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 57.96 3lws s ILE 330 Cb -0.13 -2.57 0.08 0.00 -1.58 0.00 0.00 42.46 38.25 3lws s ILE 330 CO 0.01 0.52 0.06 -0.44 -1.23 0.00 0.00 174.94 173.86 3lws s SER 331 N 0.14 3.40 0.43 3.58 0.01 -1.26 -1.35 113.70 118.65 3lws s SER 331 Ca -0.03 -1.15 -0.25 0.00 1.31 0.00 0.00 55.95 55.83 3lws s SER 331 Cb -0.14 -0.71 -0.08 0.00 0.21 0.00 0.00 66.02 65.30 3lws s SER 331 CO 0.03 -0.35 1.31 -0.69 0.41 0.00 0.00 173.24 173.95 3lws s VAL 332 N 1.76 2.55 0.00 3.43 1.01 0.30 -1.64 120.40 127.82 3lws s VAL 332 Ca 0.03 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3lws s VAL 332 Cb -0.17 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3lws s VAL 332 CO -0.16 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.61 3lws n GLY 333 N 0.64 4.22 0.20 4.51 0.00 -1.19 -4.73 105.19 108.83 3lws n GLY 333 Ca 0.05 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.35 3lws n GLY 333 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3lws h ASP 334 N 0.00 0.00 -0.52 1.61 3.32 -1.84 -3.28 116.42 115.71 3lws h ASP 334 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3lws h ASP 334 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3lws h ASP 334 CO 0.00 0.33 0.27 0.00 -1.72 0.00 0.00 179.24 178.12 3lws h ALA 335 N 1.67 0.67 -0.15 3.45 0.00 -1.58 -2.95 119.26 120.38 3lws h ALA 335 Ca -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3lws h ALA 335 Cb 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3lws h ALA 335 CO 0.04 -0.07 0.09 -0.92 0.00 0.00 0.00 179.25 178.39 3lws h TYR 336 N 0.52 0.19 0.00 0.00 3.20 -1.59 -2.51 116.97 116.78 3lws h TYR 336 Ca 0.23 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3lws h TYR 336 Cb 0.13 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3lws h TYR 336 CO -0.10 0.15 0.10 0.78 -1.64 0.00 0.00 178.16 177.45 3lws h GLY 337 N 0.18 0.00 1.56 1.82 0.00 -1.68 0.95 103.07 105.90 3lws h GLY 337 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3lws h GLY 337 CO -0.01 0.00 -0.03 1.18 0.00 0.00 0.00 176.54 177.68 3lws n GLU 338 N -2.80 0.36 -3.15 4.80 1.02 -0.94 -4.83 120.64 115.10 3lws n GLU 338 Ca -0.02 -0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.70 3lws n GLU 338 Cb 0.15 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.02 3lws n GLU 338 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3lws s LEU 339 N -2.65 4.27 0.82 -4.62 1.43 0.33 -5.08 118.68 113.17 3lws s LEU 339 Ca 0.25 1.00 -0.06 0.00 -1.03 0.00 0.00 54.13 54.29 3lws s LEU 339 Cb 0.20 -2.91 0.16 0.00 0.03 0.00 0.00 46.19 43.67 3lws s LEU 339 CO 0.48 -0.10 1.12 1.51 0.23 0.00 0.00 176.35 179.60 3lws s ASP 340 N 0.80 3.83 0.22 2.29 1.47 -1.26 -4.86 116.67 119.16 3lws s ASP 340 Ca 0.32 -0.18 -0.05 0.00 1.18 0.00 0.00 52.55 53.82 3lws s ASP 340 Cb -0.16 -0.04 0.22 0.00 -0.34 0.00 0.00 42.92 42.60 3lws s ASP 340 CO 0.14 -2.23 1.69 -0.61 0.68 0.00 0.00 175.17 174.84 3lws h GLN 341 N -0.96 0.86 -0.59 2.11 5.75 -1.99 -1.99 115.11 118.29 3lws h GLN 341 Ca -0.39 -0.28 -0.09 0.00 -0.15 0.00 0.00 58.65 57.75 3lws h GLN 341 Cb 1.25 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.70 3lws h GLN 341 CO 0.38 0.91 0.02 0.37 -2.65 0.00 0.00 178.83 177.86 3lws h GLN 342 N 0.78 1.02 -0.08 1.69 5.75 -1.99 -1.82 115.11 120.47 3lws h GLN 342 Ca 0.14 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.31 3lws h GLN 342 Cb 0.57 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.02 3lws h GLN 342 CO 0.03 1.00 0.00 1.15 -2.65 0.00 0.00 178.83 178.37 3lws h THR 343 N 0.91 1.24 -0.67 2.39 2.02 -1.89 -2.22 112.91 114.70 3lws h THR 343 Ca 0.17 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 3lws h THR 343 Cb 0.52 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 3lws h THR 343 CO 0.03 0.21 0.33 0.03 0.37 0.00 0.00 175.52 176.48 3lws h ARG 344 N -0.14 0.96 -0.44 6.66 3.08 -1.39 -1.95 114.38 121.16 3lws h ARG 344 Ca 0.02 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3lws h ARG 344 Cb 0.32 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3lws h ARG 344 CO 0.00 0.76 0.11 -0.44 -1.07 0.00 0.00 179.97 179.33 3lws h ASP 345 N 0.92 0.67 -0.25 7.04 3.32 -1.31 -0.49 116.42 126.32 3lws h ASP 345 Ca 0.23 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3lws h ASP 345 Cb 0.11 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3lws h ASP 345 CO -0.03 0.72 -0.30 0.00 -1.72 0.00 0.00 179.24 177.91 3lws h ALA 346 N 0.97 0.81 0.27 3.45 0.00 -1.37 -0.47 119.26 122.92 3lws h ALA 346 Ca 0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3lws h ALA 346 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3lws h ALA 346 CO 0.00 0.64 -0.13 0.78 0.00 0.00 0.00 179.25 180.55 3lws h GLY 347 N 0.95 -0.37 1.24 0.00 0.00 -1.23 -1.17 103.07 102.50 3lws h GLY 347 Ca 0.07 0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 3lws h GLY 347 CO 0.07 -0.14 0.23 0.74 0.00 0.00 0.00 176.54 177.45 3lws h PHE 348 N -0.55 0.98 -0.48 5.60 0.04 -1.15 0.17 116.94 121.54 3lws h PHE 348 Ca -0.04 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.70 3lws h PHE 348 Cb 0.41 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 3lws h PHE 348 CO -0.01 0.77 0.25 0.00 -0.60 0.00 0.00 178.31 178.72 3lws h ALA 349 N 1.31 0.61 -0.52 2.45 0.00 -0.98 0.17 119.26 122.31 3lws h ALA 349 Ca 0.22 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3lws h ALA 349 Cb 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3lws h ALA 349 CO -0.01 -0.09 -0.11 -0.09 0.00 0.00 0.00 179.25 178.95 3lws h ARG 350 N 0.50 0.99 -0.53 0.00 9.65 -0.86 -2.20 114.38 121.93 3lws h ARG 350 Ca 0.21 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 3lws h ARG 350 Cb 0.10 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 3lws h ARG 350 CO -0.13 1.05 0.35 1.25 2.80 0.00 0.00 179.97 185.28 3lws h LEU 351 N 0.86 0.61 -0.59 3.80 5.85 -0.61 -2.04 115.31 123.19 3lws h LEU 351 Ca 0.13 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.92 3lws h LEU 351 Cb 0.68 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 3lws h LEU 351 CO 0.05 0.45 0.23 0.03 -0.34 0.00 0.00 178.44 178.85 3lws h ARG 352 N 0.71 0.40 -0.96 1.25 3.08 -0.56 -1.12 114.38 117.17 3lws h ARG 352 Ca 0.19 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.27 3lws h ARG 352 Cb -0.08 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 29.82 3lws h ARG 352 CO -0.04 0.26 0.62 1.96 -1.07 0.00 0.00 179.97 181.71 3lws h GLN 353 N 0.41 1.13 -0.92 0.04 4.20 -0.78 -2.30 115.11 116.89 3lws h GLN 353 Ca 0.29 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 3lws h GLN 353 Cb 0.35 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3lws h GLN 353 CO -0.29 0.75 0.56 0.00 -0.67 0.00 0.00 178.83 179.18 3lws h ALA 354 N 1.42 1.17 -0.00 3.87 0.00 -0.67 -3.52 119.26 121.53 3lws h ALA 354 Ca 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3lws h ALA 354 Cb 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3lws h ALA 354 CO -0.15 0.62 0.00 1.19 0.00 0.00 0.00 179.25 180.91