#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lws h ARG 3 N 0.00 0.58 0.46 -3.83 -0.00 -1.99 -1.46 114.38 108.14 3lws h ARG 3 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.98 59.92 3lws h ARG 3 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 29.84 3lws h ARG 3 CO 0.00 0.38 -0.22 1.25 -0.00 0.00 0.00 179.97 181.38 3lws h LEU 4 N 0.60 -0.52 -0.75 0.08 5.85 -1.93 -1.99 115.31 116.65 3lws h LEU 4 Ca 0.25 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3lws h LEU 4 Cb 0.12 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3lws h LEU 4 CO -0.15 -0.26 0.46 -0.09 -0.34 0.00 0.00 178.44 178.06 3lws h ARG 5 N -0.78 0.84 -0.29 1.25 9.65 -1.65 -1.19 114.38 122.21 3lws h ARG 5 Ca -0.06 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 58.82 3lws h ARG 5 Cb 0.55 -0.19 -0.05 0.00 -1.39 0.00 0.00 29.97 28.89 3lws h ARG 5 CO 0.10 0.56 -0.05 1.15 2.80 0.00 0.00 179.97 184.53 3lws h THR 6 N 0.87 0.74 0.00 0.20 2.02 -1.24 -0.35 112.91 115.14 3lws h THR 6 Ca 0.31 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.44 3lws h THR 6 Cb 0.09 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3lws h THR 6 CO -0.14 0.01 -0.23 0.77 0.37 0.00 0.00 175.52 176.29 3lws h SER 7 N 0.03 0.00 0.24 4.18 4.64 -0.47 -1.87 113.55 120.31 3lws h SER 7 Ca 0.14 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.15 3lws h SER 7 Cb 0.20 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.32 3lws h SER 7 CO -0.28 0.23 -1.33 0.15 -0.87 0.00 0.00 176.83 174.73 3lws h PHE 8 N 0.00 0.94 -0.63 4.77 3.57 -0.74 -3.23 116.94 121.61 3lws h PHE 8 Ca -0.00 -0.63 -0.02 0.00 3.53 0.00 0.00 57.97 60.85 3lws h PHE 8 Cb 0.41 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 3lws h PHE 8 CO 0.00 1.48 0.32 1.96 -2.23 0.00 0.00 178.31 179.84 3lws h GLN 9 N 0.20 0.88 -0.74 1.11 1.08 -0.67 -2.65 115.11 114.32 3lws h GLN 9 Ca -0.21 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 3lws h GLN 9 Cb 2.01 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 29.27 3lws h GLN 9 CO 0.25 0.67 0.00 1.04 -0.95 0.00 0.00 178.83 179.84 3lws n GLN 10 N -4.36 2.20 -3.08 1.46 6.02 -0.74 -4.87 117.38 114.00 3lws n GLN 10 Ca 0.06 -1.05 -0.27 0.00 -0.01 0.00 0.00 57.00 55.73 3lws n GLN 10 Cb 0.12 -1.65 -0.02 0.00 1.02 0.00 0.00 30.24 29.71 3lws n GLN 10 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3lws s THR 11 N -1.62 4.99 -1.49 5.09 -4.23 -1.00 -4.91 115.64 112.47 3lws s THR 11 Ca 0.18 -0.01 0.17 0.00 -1.18 0.00 0.00 61.69 60.86 3lws s THR 11 Cb 0.13 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 3lws s THR 11 CO 0.07 -0.58 0.88 0.35 -0.54 0.00 0.00 174.62 174.79 3lws n THR 12 N -1.66 0.00 -3.49 3.99 -2.24 0.16 -4.96 114.28 106.08 3lws n THR 12 Ca -0.02 -0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 61.37 3lws n THR 12 Cb 0.55 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.94 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 -2.11 -0.52 0.03 3.38 0.00 -1.05 -5.03 107.32 102.01 3lws s GLY 13 Ca 0.13 0.51 -0.01 0.00 0.00 0.00 0.00 44.72 45.35 3lws s GLY 13 CO 0.48 0.17 -0.01 1.20 0.00 0.00 0.00 173.10 174.93 3lws s GLN 14 N -3.62 0.41 0.15 2.90 1.11 -1.26 0.41 119.66 119.75 3lws s GLN 14 Ca 0.03 -0.76 0.06 0.00 0.01 0.00 0.00 55.36 54.70 3lws s GLN 14 Cb -0.01 0.15 -0.10 0.00 -1.01 0.00 0.00 33.01 32.03 3lws s GLN 14 CO -0.10 -0.08 1.34 -0.84 0.01 0.00 0.00 175.29 175.62 3lws h ILE 15 N 4.19 1.63 -2.57 1.08 3.07 -1.60 -3.01 117.51 120.30 3lws h ILE 15 Ca -0.32 -3.09 -0.56 0.00 1.55 0.00 0.00 64.86 62.43 3lws h ILE 15 Cb 1.19 2.70 -0.08 0.00 -0.27 0.00 0.00 36.82 40.36 3lws h ILE 15 CO 0.48 0.89 -0.59 -0.94 -1.05 0.00 0.00 178.15 176.94 3lws s SER 16 N -6.79 5.22 0.13 2.16 1.04 -1.26 -4.01 113.70 110.18 3lws s SER 16 Ca -0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 3lws s SER 16 Cb 0.10 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.96 3lws s SER 16 CO 0.82 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.69 3lws n GLY 17 N -0.54 -1.96 0.24 7.32 0.00 0.02 -4.65 105.19 105.62 3lws n GLY 17 Ca -0.08 -1.37 0.04 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.25 0.00 0.00 1.61 8.25 -1.26 -1.55 115.22 122.01 3lws n HIS 18 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3lws n HIS 18 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.76 -0.54 3.77 -1.41 0.00 -1.26 -4.30 105.19 102.20 3lws n GLY 19 Ca 0.04 -2.27 -0.39 0.00 0.00 0.00 0.00 46.02 43.40 3lws n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lws s LYS 20 N -0.97 3.89 -0.97 1.61 3.01 -1.26 -4.93 119.74 120.12 3lws s LYS 20 Ca 0.00 2.10 -0.19 0.00 -1.01 0.00 0.00 55.97 56.87 3lws s LYS 20 Cb 0.00 -2.68 0.12 0.00 -1.01 0.00 0.00 37.83 34.26 3lws s LYS 20 CO 0.00 -0.54 1.22 0.50 0.51 0.00 0.00 175.35 177.04 3lws s ARG 21 N -2.34 3.64 0.41 1.68 3.52 -1.26 -4.90 118.95 119.70 3lws s ARG 21 Ca 0.59 -1.70 0.04 0.00 -0.13 0.00 0.00 55.73 54.52 3lws s ARG 21 Cb -0.37 -5.02 -0.02 0.00 -1.56 0.00 0.00 34.95 27.98 3lws s ARG 21 CO 0.47 -1.86 0.15 0.54 -0.81 0.00 0.00 175.30 173.79 3lws s ASN 22 N 3.84 2.71 0.45 -2.12 2.20 -1.26 -5.04 114.94 115.72 3lws s ASN 22 Ca 0.36 -1.71 0.11 0.00 -0.94 0.00 0.00 52.86 50.68 3lws s ASN 22 Cb -0.04 0.56 1.02 0.00 -2.00 0.00 0.00 41.25 40.79 3lws s ASN 22 CO -0.09 -0.97 2.07 0.58 -2.94 0.00 0.00 177.10 175.75 3lws h VAL 23 N 1.80 1.03 -0.83 3.54 2.07 -2.02 -1.93 116.25 119.92 3lws h VAL 23 Ca -0.34 -0.12 0.19 0.00 0.82 0.00 0.00 66.70 67.25 3lws h VAL 23 Cb 1.27 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 3lws h VAL 23 CO 0.53 0.07 0.56 1.23 0.02 0.00 0.00 177.57 179.98 3lws h GLY 24 N 0.36 0.64 0.53 2.17 0.00 -1.96 -1.46 103.07 103.36 3lws h GLY 24 Ca 0.13 -0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.39 3lws h GLY 24 CO -0.03 0.01 0.31 -2.08 0.00 0.00 0.00 176.54 174.76 3lws h VAL 25 N 0.32 0.87 -0.02 4.60 2.07 -1.69 0.35 116.25 122.76 3lws h VAL 25 Ca 0.42 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 3lws h VAL 25 Cb 1.13 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3lws h VAL 25 CO -0.12 0.10 -0.08 0.25 0.02 0.00 0.00 177.57 177.74 3lws h LEU 26 N 0.56 0.10 -0.95 2.57 5.85 -1.47 -2.91 115.31 119.06 3lws h LEU 26 Ca 0.31 -0.65 0.08 0.00 0.84 0.00 0.00 57.88 58.46 3lws h LEU 26 Cb 0.30 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 3lws h LEU 26 CO -0.24 0.73 0.60 0.11 -0.34 0.00 0.00 178.44 179.30 3lws h LYS 27 N -0.52 1.02 -0.40 1.25 1.57 -1.06 -1.10 116.57 117.34 3lws h LYS 27 Ca -0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3lws h LYS 27 Cb 0.73 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3lws h LYS 27 CO 0.02 0.68 0.20 1.15 -0.57 0.00 0.00 179.45 180.93 3lws h THR 28 N 1.06 1.16 -0.27 -0.16 2.02 -0.36 -1.49 112.91 114.87 3lws h THR 28 Ca 0.42 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 67.19 3lws h THR 28 Cb 0.23 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3lws h THR 28 CO -0.19 0.17 0.19 0.00 0.37 0.00 0.00 175.52 176.05 3lws h ALA 29 N 1.06 1.96 0.00 6.16 0.00 -1.01 -3.08 119.26 124.34 3lws h ALA 29 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3lws h ALA 29 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3lws h ALA 29 CO -0.02 0.00 -0.94 1.19 0.00 0.00 0.00 179.25 179.48 3lws n PHE 30 N -4.49 0.14 0.23 0.00 3.01 -0.85 -4.61 117.46 110.89 3lws n PHE 30 Ca 0.02 0.04 0.17 0.00 1.01 0.00 0.00 57.45 58.70 3lws n PHE 30 Cb 0.17 -0.29 0.87 0.00 -0.01 0.00 0.00 39.48 40.22 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 2.73 1.67 -0.35 4.37 0.00 -1.19 0.27 119.26 126.77 3lws h ALA 31 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3lws h ALA 31 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3lws h ALA 31 CO 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.00 3lws n ALA 32 N -2.27 2.20 -2.68 0.00 0.00 -1.26 -4.97 120.51 111.53 3lws n ALA 32 Ca 0.01 -1.12 -0.40 0.00 0.00 0.00 0.00 53.44 51.93 3lws n ALA 32 Cb 0.29 -0.45 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.00 5.04 0.18 0.00 1.01 0.95 -5.02 120.40 121.57 3lws s VAL 33 Ca 0.24 1.21 -0.33 0.00 0.00 0.00 0.00 61.98 63.09 3lws s VAL 33 Cb 0.12 -3.95 -0.14 0.00 0.00 0.00 0.00 36.38 32.42 3lws s VAL 33 CO 0.16 0.16 1.57 0.00 0.00 0.00 0.00 175.10 176.99 3lws n ALA 34 N 4.70 1.48 0.18 5.51 0.00 -1.26 -4.87 120.51 126.25 3lws n ALA 34 Ca -0.02 0.44 0.16 0.00 0.00 0.00 0.00 53.44 54.01 3lws n ALA 34 Cb 0.50 -2.36 0.77 0.00 0.00 0.00 0.00 19.45 18.37 3lws n ALA 34 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3lws h ASP 35 N 5.74 0.00 -3.56 0.00 3.32 -1.95 -3.47 116.42 116.49 3lws h ASP 35 Ca -0.45 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.01 3lws h ASP 35 Cb 1.25 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.71 3lws h ASP 35 CO 0.87 0.00 0.67 -1.61 -1.72 0.00 0.00 179.24 177.45 3lws s GLU 36 N -4.80 3.76 0.02 3.56 8.01 -1.26 -5.08 118.70 122.90 3lws s GLU 36 Ca -0.05 0.50 0.05 0.00 0.01 0.00 0.00 54.97 55.49 3lws s GLU 36 Cb 0.16 -3.85 -0.02 0.00 -4.31 0.00 0.00 34.13 26.12 3lws s GLU 36 CO 0.61 -1.09 -0.16 0.00 0.01 0.00 0.00 175.26 174.63 3lws s ALA 38 N 3.72 1.34 0.68 5.21 0.00 -1.26 -5.24 121.76 126.22 3lws s ALA 38 Ca 0.40 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.43 3lws s ALA 38 Cb -0.11 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.74 3lws s ALA 38 CO 0.23 0.30 1.07 0.45 0.00 0.00 0.00 175.76 177.80 3lws s SER 39 N -0.83 5.27 1.04 0.00 0.15 -1.26 -4.63 113.70 113.43 3lws s SER 39 Ca 0.05 1.75 -0.12 0.00 0.70 0.00 0.00 55.95 58.33 3lws s SER 39 Cb -0.07 -2.52 0.21 0.00 -1.71 0.00 0.00 66.02 61.93 3lws s SER 39 CO 0.01 -1.52 1.08 1.51 1.20 0.00 0.00 173.24 175.52 3lws s ASP 40 N -3.34 2.01 -0.13 5.45 -4.77 -1.13 -4.19 116.67 110.57 3lws s ASP 40 Ca 0.61 1.77 -0.04 0.00 -3.30 0.00 0.00 52.55 51.59 3lws s ASP 40 Cb -0.16 -2.39 0.06 0.00 -1.09 0.00 0.00 42.92 39.34 3lws s ASP 40 CO 0.49 -3.60 0.14 -1.58 0.70 0.00 0.00 175.17 171.33 3lws s GLN 41 N -4.59 0.06 -0.92 2.11 0.74 0.67 -4.55 119.66 113.17 3lws s GLN 41 Ca 0.67 0.29 -0.12 0.00 0.05 0.00 0.00 55.36 56.26 3lws s GLN 41 Cb -0.23 -0.91 0.02 0.00 1.10 0.00 0.00 33.01 32.98 3lws s GLN 41 CO 0.61 -0.48 0.22 0.66 -0.55 0.00 0.00 175.29 175.75 3lws n TYR 42 N 5.31 -0.87 -0.39 1.67 4.01 -0.85 -1.85 117.16 124.19 3lws n TYR 42 Ca -0.05 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 3lws n TYR 42 Cb 0.50 -1.85 0.00 0.00 -0.31 0.00 0.00 39.34 37.68 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 -1.90 0.72 1.70 2.72 0.00 -1.26 -5.00 105.19 102.18 3lws n GLY 43 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.08 0.00 -2.85 2.61 -2.24 -0.77 -4.87 114.28 104.08 3lws n THR 44 Ca 0.00 -1.28 0.00 0.00 -2.27 0.00 0.00 64.05 60.50 3lws n THR 44 Cb 0.00 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.24 -0.51 3.75 3.38 0.00 -1.26 -0.24 105.19 110.08 3lws n GLY 45 Ca 0.03 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 3lws n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lws s ALA 46 N -1.29 2.57 0.00 4.61 0.00 -1.26 -2.89 121.76 123.50 3lws s ALA 46 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.02 3lws s ALA 46 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3lws s ALA 46 CO 0.00 -1.21 0.00 -0.89 0.00 0.00 0.00 175.76 173.66 3lws n ILE 47 N -1.52 0.00 -0.15 0.00 5.41 -1.26 -2.85 119.36 118.99 3lws n ILE 47 Ca 0.13 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.80 3lws n ILE 47 Cb 0.49 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.42 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 1.20 -0.15 1.39 2.10 -1.87 -2.14 117.51 118.03 3lws h ILE 48 Ca 0.00 -0.60 -0.01 0.00 1.08 0.00 0.00 64.86 65.33 3lws h ILE 48 Cb 0.00 0.79 -0.01 0.00 -1.09 0.00 0.00 36.82 36.51 3lws h ILE 48 CO 0.00 0.22 0.05 -0.33 -1.08 0.00 0.00 178.15 177.01 3lws h GLU 49 N 0.55 0.23 -0.58 2.19 5.08 -1.75 -0.51 114.58 119.80 3lws h GLU 49 Ca 0.14 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3lws h GLU 49 Cb 0.18 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3lws h GLU 49 CO -0.01 0.35 0.25 -1.35 -1.00 0.00 0.00 179.01 177.24 3lws h PRO 50 N 0.07 0.84 -0.46 2.33 0.11 -1.82 -1.67 132.00 131.39 3lws h PRO 50 Ca 0.05 -0.12 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 3lws h PRO 50 Cb 0.22 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 3lws h PRO 50 CO -0.00 0.68 0.11 0.35 -0.21 0.00 0.00 178.00 178.92 3lws h PHE 51 N 0.83 0.78 -0.38 0.65 3.04 -1.13 -0.63 116.94 120.10 3lws h PHE 51 Ca 0.20 -0.09 -0.03 0.00 3.98 0.00 0.00 57.97 62.03 3lws h PHE 51 Cb 0.14 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.42 3lws h PHE 51 CO 0.01 0.71 0.11 0.93 -2.02 0.00 0.00 178.31 178.06 3lws h GLU 52 N 0.62 0.59 -0.44 1.11 5.08 -0.89 -2.05 114.58 118.59 3lws h GLU 52 Ca 0.14 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3lws h GLU 52 Cb 0.33 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3lws h GLU 52 CO 0.00 0.60 0.22 1.96 -1.00 0.00 0.00 179.01 180.79 3lws h GLN 53 N 0.46 0.63 -0.45 2.33 4.20 -1.14 0.25 115.11 121.38 3lws h GLN 53 Ca 0.12 -0.09 0.09 0.00 0.06 0.00 0.00 58.65 58.83 3lws h GLN 53 Cb 0.26 -0.12 -0.10 0.00 0.30 0.00 0.00 27.48 27.83 3lws h GLN 53 CO -0.00 0.53 -0.30 -0.22 -0.67 0.00 0.00 178.83 178.16 3lws h LYS 54 N 0.57 -0.20 0.00 1.46 3.64 -0.97 -0.41 116.57 120.65 3lws h LYS 54 Ca 0.15 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3lws h LYS 54 Cb 0.10 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3lws h LYS 54 CO -0.02 -0.13 -0.34 0.74 -2.27 0.00 0.00 179.45 177.42 3lws h PHE 55 N -0.21 0.00 -0.69 1.91 0.04 -1.15 -0.04 116.94 116.80 3lws h PHE 55 Ca 0.20 0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.01 3lws h PHE 55 Cb 0.52 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.62 3lws h PHE 55 CO -0.54 0.16 0.41 0.00 -0.60 0.00 0.00 178.31 177.74 3lws h ALA 56 N 1.84 0.92 -0.38 2.45 0.00 -0.04 -2.18 119.26 121.87 3lws h ALA 56 Ca -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3lws h ALA 56 Cb 1.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3lws h ALA 56 CO 0.02 0.13 0.06 -0.44 0.00 0.00 0.00 179.25 179.02 3lws h ASP 57 N 0.78 0.61 -0.63 0.00 3.32 -0.64 0.12 116.42 119.97 3lws h ASP 57 Ca 0.30 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3lws h ASP 57 Cb 0.11 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3lws h ASP 57 CO -0.15 0.72 0.26 0.58 -1.72 0.00 0.00 179.24 178.93 3lws h VAL 58 N 0.47 1.23 -0.01 -1.35 2.07 -0.89 -1.78 116.25 116.00 3lws h VAL 58 Ca 0.11 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3lws h VAL 58 Cb 0.37 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3lws h VAL 58 CO 0.01 0.29 -0.29 0.18 0.02 0.00 0.00 177.57 177.78 3lws n LEU 59 N -4.30 1.01 -2.43 2.57 4.77 -0.83 -2.67 117.00 115.12 3lws n LEU 59 Ca 0.06 -0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 55.73 3lws n LEU 59 Cb 0.18 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3lws n LEU 59 CO 0.39 0.19 0.05 0.61 -1.33 0.00 0.00 177.39 177.31 3lws n GLY 60 N 1.36 -1.10 0.11 -0.72 0.00 0.39 -4.44 105.19 100.79 3lws n GLY 60 Ca 0.12 0.78 -0.14 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.45 1.14 -3.72 1.61 8.00 -1.13 -4.92 116.55 117.08 3lws n ASP 62 Ca 0.08 0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.49 3lws n ASP 62 Cb 0.33 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 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 -6.15 -0.31 -0.01 -2.24 2.15 -0.92 -4.76 116.67 104.44 3lws s ASP 63 Ca -0.21 -0.45 -0.11 0.00 0.43 0.00 0.00 52.55 52.21 3lws s ASP 63 Cb 0.07 0.62 0.01 0.00 -0.30 0.00 0.00 42.92 43.33 3lws s ASP 63 CO 0.73 -1.12 0.22 0.00 -0.17 0.00 0.00 175.17 174.83 3lws s ALA 64 N -3.87 -0.55 -0.09 3.66 0.00 -1.26 -2.33 121.76 117.33 3lws s ALA 64 Ca 0.09 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.15 3lws s ALA 64 Cb -0.02 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.20 3lws s ALA 64 CO -0.02 -0.23 -0.13 0.08 0.00 0.00 0.00 175.76 175.46 3lws s VAL 65 N -1.35 1.32 -0.12 0.00 1.01 0.62 -4.77 120.40 117.10 3lws s VAL 65 Ca -0.14 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 3lws s VAL 65 Cb -0.06 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 3lws s VAL 65 CO 0.03 0.40 1.01 0.12 0.00 0.00 0.00 175.10 176.66 3lws s PHE 66 N 0.91 3.49 0.11 5.22 5.36 -1.26 -1.25 117.98 130.56 3lws s PHE 66 Ca -0.09 1.57 0.09 0.00 -0.96 0.00 0.00 56.93 57.53 3lws s PHE 66 Cb -0.15 -3.19 -0.04 0.00 -0.34 0.00 0.00 43.02 39.30 3lws s PHE 66 CO 0.00 -0.26 -0.17 -0.06 -1.46 0.00 0.00 175.22 173.27 3lws s PHE 67 N 2.17 2.56 0.48 10.12 0.40 0.06 -4.99 117.98 128.78 3lws s PHE 67 Ca 0.47 -0.25 0.13 0.00 -0.60 0.00 0.00 56.93 56.69 3lws s PHE 67 Cb -0.18 -1.36 1.13 0.00 0.51 0.00 0.00 43.02 43.13 3lws s PHE 67 CO 0.16 0.39 2.11 -1.00 0.70 0.00 0.00 175.22 177.58 3lws h PRO 68 N 3.73 0.15 -3.59 0.24 0.13 -1.85 0.55 132.00 131.37 3lws h PRO 68 Ca -0.50 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.49 3lws h PRO 68 Cb 1.17 -0.03 -0.19 0.00 0.13 0.00 0.00 31.00 32.07 3lws h PRO 68 CO 0.47 0.12 -0.47 -1.54 -0.23 0.00 0.00 178.00 176.34 3lws s SER 69 N -6.96 0.06 0.43 1.44 1.04 -1.26 -3.01 113.70 105.44 3lws s SER 69 Ca -0.06 -0.32 0.17 0.00 0.48 0.00 0.00 55.95 56.22 3lws s SER 69 Cb 0.17 0.23 0.97 0.00 0.10 0.00 0.00 66.02 67.49 3lws s SER 69 CO 0.69 -0.45 1.92 1.23 0.98 0.00 0.00 173.24 177.61 3lws h GLY 70 N 3.92 0.00 -0.04 7.32 0.00 -1.87 -1.18 103.07 111.22 3lws h GLY 70 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3lws h GLY 70 CO 0.45 0.00 0.00 2.41 0.00 0.00 0.00 176.54 179.40 3lws n THR 71 N -4.00 0.00 0.00 4.70 -1.04 -1.26 -0.97 114.28 111.71 3lws n THR 71 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3lws n THR 71 Cb 0.33 -0.48 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 -0.45 0.00 0.07 2.41 0.00 -0.45 -2.81 120.51 119.28 3lws n ALA 73 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3lws n ALA 73 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 0.14 -0.29 0.00 4.20 -1.33 -1.54 115.11 116.29 3lws h GLN 74 Ca 0.00 -0.24 0.03 0.00 0.06 0.00 0.00 58.65 58.50 3lws h GLN 74 Cb 0.00 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3lws h GLN 74 CO 0.00 1.07 0.12 1.96 -0.67 0.00 0.00 178.83 181.31 3lws h GLN 75 N 0.04 0.25 -0.70 1.46 4.20 -1.75 -1.51 115.11 117.09 3lws h GLN 75 Ca -0.11 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3lws h GLN 75 Cb 1.90 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 29.59 3lws h GLN 75 CO 0.16 0.16 0.45 0.28 -0.67 0.00 0.00 178.83 179.21 3lws h VAL 76 N 0.25 1.19 0.10 -0.54 2.07 -1.81 -1.70 116.25 115.82 3lws h VAL 76 Ca 0.13 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3lws h VAL 76 Cb 0.08 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3lws h VAL 76 CO -0.12 0.19 -0.12 0.00 0.02 0.00 0.00 177.57 177.54 3lws h ALA 77 N 1.24 -0.22 -0.61 1.67 0.00 -0.99 -1.08 119.26 119.27 3lws h ALA 77 Ca 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3lws h ALA 77 Cb -0.08 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3lws h ALA 77 CO -0.05 -0.65 0.37 -0.07 0.00 0.00 0.00 179.25 178.86 3lws h LEU 78 N -0.26 0.72 -0.66 0.00 3.38 -1.15 -1.61 115.31 115.73 3lws h LEU 78 Ca 0.01 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3lws h LEU 78 Cb 0.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3lws h LEU 78 CO -0.05 0.56 0.44 -0.09 0.09 0.00 0.00 178.44 179.40 3lws h ARG 79 N 0.82 0.87 0.16 1.13 9.65 -1.15 0.32 114.38 126.18 3lws h ARG 79 Ca 0.22 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.04 3lws h ARG 79 Cb -0.04 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.35 3lws h ARG 79 CO -0.04 0.58 -0.07 0.82 2.80 0.00 0.00 179.97 184.05 3lws h ILE 80 N 0.90 0.87 -0.86 1.20 2.04 -0.65 0.70 117.51 121.70 3lws h ILE 80 Ca 0.24 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 3lws h ILE 80 Cb -0.10 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3lws h ILE 80 CO -0.05 0.03 0.43 -0.50 0.00 0.00 0.00 178.15 178.05 3lws h TRP 81 N -0.26 1.22 -0.29 1.37 -0.00 -1.12 0.41 115.95 117.29 3lws h TRP 81 Ca -0.02 -0.05 0.03 0.00 -0.00 0.00 0.00 58.89 58.85 3lws h TRP 81 Cb 0.20 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.16 28.95 3lws h TRP 81 CO -0.05 0.87 0.10 1.03 -0.00 0.00 0.00 178.44 180.38 3lws h SER 82 N 1.22 0.10 -0.60 -3.49 0.87 -0.09 -1.42 113.55 110.14 3lws h SER 82 Ca 0.30 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.89 3lws h SER 82 Cb 0.09 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 3lws h SER 82 CO -0.04 0.09 0.37 0.44 -0.53 0.00 0.00 176.83 177.17 3lws h ASP 83 N 0.23 0.72 -0.15 6.23 3.32 -0.30 -1.25 116.42 125.21 3lws h ASP 83 Ca 0.13 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 3lws h ASP 83 Cb 0.10 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3lws h ASP 83 CO -0.14 0.55 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.81 3lws h GLU 84 N 0.82 0.44 -0.07 3.56 4.81 -0.54 -3.08 114.58 120.52 3lws h GLU 84 Ca 0.22 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3lws h GLU 84 Cb -0.04 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3lws h GLU 84 CO -0.04 0.50 0.00 0.25 -0.73 0.00 0.00 179.01 178.99 3lws n THR 85 N -4.28 0.06 -3.77 0.32 -2.24 -0.57 -4.96 114.28 98.85 3lws n THR 85 Ca 0.01 -0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 60.98 3lws n THR 85 Cb 0.25 1.37 -0.00 0.00 -2.10 0.00 0.00 70.33 69.85 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 1.29 -3.99 -3.87 3.42 8.00 -0.51 -4.95 116.55 115.94 3lws n ASP 86 Ca 0.15 -0.68 -0.25 0.00 0.71 0.00 0.00 54.79 54.72 3lws n ASP 86 Cb 0.58 -3.25 -0.17 0.00 -0.02 0.00 0.00 41.12 38.26 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 -3.05 1.92 -0.12 -2.24 3.84 -0.99 -5.03 114.94 109.28 3lws s ASN 87 Ca 0.58 -0.22 0.08 0.00 0.21 0.00 0.00 52.86 53.51 3lws s ASN 87 Cb -0.30 -0.69 0.45 0.00 -0.55 0.00 0.00 41.25 40.15 3lws s ASN 87 CO 0.71 -0.14 1.21 0.54 -2.79 0.00 0.00 177.10 176.64 3lws n ARG 88 N 4.93 3.02 -5.22 0.43 1.74 -1.26 -4.38 116.66 115.92 3lws n ARG 88 Ca -0.12 -1.72 -0.31 0.00 -0.77 0.00 0.00 57.85 54.93 3lws n ARG 88 Cb 0.50 -1.85 -0.17 0.00 -1.02 0.00 0.00 32.46 29.92 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 -1.91 1.99 0.18 0.55 2.01 -1.26 -0.69 115.64 116.51 3lws s THR 89 Ca 0.30 -1.02 0.09 0.00 0.31 0.00 0.00 61.69 61.37 3lws s THR 89 Cb 0.22 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 3lws s THR 89 CO 0.10 0.55 -0.19 0.68 -0.69 0.00 0.00 174.62 175.07 3lws s VAL 90 N -0.06 1.94 0.05 3.82 -7.23 -0.14 -1.27 120.40 117.51 3lws s VAL 90 Ca -0.06 -1.98 0.06 0.00 -1.81 0.00 0.00 61.98 58.19 3lws s VAL 90 Cb -0.14 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 3lws s VAL 90 CO 0.04 -0.30 -0.18 0.00 -0.31 0.00 0.00 175.10 174.35 3lws s ALA 91 N -2.07 1.49 0.23 1.32 0.00 -0.28 -0.84 121.76 121.60 3lws s ALA 91 Ca 0.18 -0.98 -0.21 0.00 0.00 0.00 0.00 51.96 50.95 3lws s ALA 91 Cb -0.06 -0.25 0.07 0.00 0.00 0.00 0.00 23.12 22.88 3lws s ALA 91 CO 0.08 0.31 0.95 1.52 0.00 0.00 0.00 175.76 178.61 3lws s TYR 92 N -0.88 0.01 0.54 0.00 -0.85 -1.00 -1.11 117.35 114.05 3lws s TYR 92 Ca 0.04 -0.45 -0.22 0.00 -0.52 0.00 0.00 57.07 55.92 3lws s TYR 92 Cb -0.09 0.72 -0.05 0.00 0.38 0.00 0.00 41.96 42.92 3lws s TYR 92 CO 0.02 -1.06 1.35 1.58 -1.52 0.00 0.00 175.55 175.92 3lws n HIS 93 N -0.59 2.28 0.29 -3.49 -0.00 -1.26 -0.13 115.22 112.31 3lws n HIS 93 Ca -0.05 0.43 0.17 0.00 -0.00 0.00 0.00 57.72 58.27 3lws n HIS 93 Cb 0.60 -2.36 0.96 0.00 -0.00 0.00 0.00 29.99 29.18 3lws n HIS 93 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3lws h PRO 94 N 1.46 0.00 -0.78 1.57 0.11 -1.87 -1.35 132.00 131.14 3lws h PRO 94 Ca -0.51 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.33 3lws h PRO 94 Cb 1.30 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.25 3lws h PRO 94 CO 0.57 0.00 0.34 1.28 -0.21 0.00 0.00 178.00 179.98 3lws n LEU 95 N -3.67 6.17 -4.77 2.35 4.77 -1.26 -4.75 117.00 115.84 3lws n LEU 95 Ca -0.02 -3.31 -0.40 0.00 -0.03 0.00 0.00 56.01 52.24 3lws n LEU 95 Cb 0.13 -0.76 0.01 0.00 -2.33 0.00 0.00 43.42 40.47 3lws n LEU 95 CO 0.26 0.87 1.08 0.00 -1.33 0.00 0.00 177.39 178.27 3lws h HIS 97 N 2.55 0.87 0.00 0.00 2.76 -1.94 -0.12 115.15 119.27 3lws h HIS 97 Ca -0.51 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 57.66 3lws h HIS 97 Cb 1.26 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.97 3lws h HIS 97 CO 0.51 0.13 -0.17 -0.07 -1.30 0.00 0.00 177.93 177.04 3lws h LEU 98 N 0.61 0.00 0.23 0.26 4.07 -1.94 0.95 115.31 119.49 3lws h LEU 98 Ca 0.54 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 58.16 3lws h LEU 98 Cb 0.89 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.66 3lws h LEU 98 CO -0.42 0.17 -1.57 -0.08 -1.08 0.00 0.00 178.44 175.46 3lws h GLU 99 N 0.00 0.48 0.00 1.13 4.57 -1.38 -3.41 114.58 115.97 3lws h GLU 99 Ca -0.00 -0.82 0.00 0.00 -1.18 0.00 0.00 59.36 57.36 3lws h GLU 99 Cb 0.36 0.30 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 3lws h GLU 99 CO 0.02 1.39 -0.48 0.44 -1.18 0.00 0.00 179.01 179.20 3lws n ILE 100 N -3.69 0.00 -0.32 2.32 -5.35 -0.85 -4.72 119.36 106.75 3lws n ILE 100 Ca -0.20 -0.30 0.01 0.00 -0.27 0.00 0.00 62.75 61.99 3lws n ILE 100 Cb 1.08 0.80 0.02 0.00 -1.74 0.00 0.00 39.64 39.80 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 -1.25 0.00 -1.36 4.28 8.25 0.32 -4.76 115.22 120.70 3lws n HIS 101 Ca 0.00 -0.48 0.07 0.00 -0.26 0.00 0.00 57.72 57.06 3lws n HIS 101 Cb 0.05 -0.06 0.12 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.53 1.03 -4.05 -0.41 1.02 -1.22 -4.97 120.64 111.51 3lws n GLU 102 Ca 0.02 -2.35 -0.32 0.00 -0.02 0.00 0.00 57.16 54.49 3lws n GLU 102 Cb 0.34 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 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 -1.06 -4.32 -2.10 3.49 1.13 -1.26 -1.68 117.38 111.58 3lws n GLN 103 Ca 0.13 0.49 -0.18 0.00 -1.94 0.00 0.00 57.00 55.49 3lws n GLN 103 Cb 0.67 -5.24 -0.03 0.00 0.11 0.00 0.00 30.24 25.76 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 -2.78 -5.31 -0.18 1.08 8.00 -1.26 -4.90 116.55 111.20 3lws n ASP 104 Ca 0.02 0.13 -0.01 0.00 0.71 0.00 0.00 54.79 55.64 3lws n ASP 104 Cb 0.53 -4.39 0.07 0.00 -0.02 0.00 0.00 41.12 37.30 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 0.00 0.51 0.15 0.44 0.00 -1.57 -0.62 103.07 101.98 3lws h GLY 105 Ca -0.42 0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.13 3lws h GLY 105 CO 0.53 -0.19 -0.00 -2.00 0.00 0.00 0.00 176.54 174.88 3lws h LEU 106 N 0.07 -0.23 0.00 3.11 5.85 -1.86 0.29 115.31 122.54 3lws h LEU 106 Ca 0.28 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 59.03 3lws h LEU 106 Cb 0.44 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3lws h LEU 106 CO -0.51 -0.08 -0.45 0.11 -0.34 0.00 0.00 178.44 177.17 3lws h LYS 107 N 0.11 0.00 0.01 1.25 1.57 -1.48 -1.71 116.57 116.32 3lws h LYS 107 Ca 0.26 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.80 3lws h LYS 107 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3lws h LYS 107 CO -0.43 0.42 -1.26 0.93 -0.57 0.00 0.00 179.45 178.54 3lws h GLU 108 N 0.00 0.02 0.00 3.15 4.39 -0.67 -3.37 114.58 118.10 3lws h GLU 108 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3lws h GLU 108 Cb 1.33 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 3lws h GLU 108 CO 0.05 0.85 -1.27 1.28 -1.16 0.00 0.00 179.01 178.76 3lws n LEU 109 N -3.26 0.68 -3.92 1.33 4.77 0.05 -4.96 117.00 111.68 3lws n LEU 109 Ca -0.06 -0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 55.50 3lws n LEU 109 Cb 0.98 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.95 3lws n LEU 109 CO 0.47 0.16 -0.28 -1.00 -1.33 0.00 0.00 177.39 175.41 3lws s HIS 110 N -3.16 0.14 -1.44 -1.77 3.76 -0.65 -5.05 115.29 107.12 3lws s HIS 110 Ca 0.03 -0.31 -0.14 0.00 -0.15 0.00 0.00 55.06 54.50 3lws s HIS 110 Cb 0.15 -0.11 0.01 0.00 1.11 0.00 0.00 32.58 33.74 3lws s HIS 110 CO 0.87 -0.22 2.32 -0.35 -0.85 0.00 0.00 174.74 176.51 3lws n PRO 111 N 1.67 2.89 -4.80 8.40 -0.04 -1.26 -4.39 135.00 137.47 3lws n PRO 111 Ca -0.22 -2.49 -0.25 0.00 -0.04 0.00 0.00 63.50 60.49 3lws n PRO 111 Cb 0.56 -3.19 -0.16 0.00 -0.04 0.00 0.00 33.50 30.66 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 3.15 1.37 0.16 0.52 1.01 -1.26 -4.81 121.20 121.34 3lws s ILE 112 Ca 0.51 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.54 3lws s ILE 112 Cb 0.15 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 3lws s ILE 112 CO -0.07 0.39 -0.06 -1.61 0.00 0.00 0.00 174.94 173.59 3lws s GLU 113 N -0.07 2.19 -0.06 2.79 2.02 0.13 -4.55 118.70 121.16 3lws s GLU 113 Ca -0.01 -1.16 0.04 0.00 0.02 0.00 0.00 54.97 53.86 3lws s GLU 113 Cb -0.10 -2.26 -0.00 0.00 0.10 0.00 0.00 34.13 31.87 3lws s GLU 113 CO 0.01 0.46 -0.18 0.95 0.02 0.00 0.00 175.26 176.52 3lws s THR 114 N -1.62 1.56 -0.24 3.63 -4.23 -1.26 -0.97 115.64 112.52 3lws s THR 114 Ca 0.25 -0.77 -0.11 0.00 -1.18 0.00 0.00 61.69 59.88 3lws s THR 114 Cb -0.09 -1.35 -0.05 0.00 1.34 0.00 0.00 72.50 72.35 3lws s THR 114 CO 0.16 0.45 0.18 -0.63 -0.54 0.00 0.00 174.62 174.24 3lws s ILE 115 N 0.18 5.35 -0.22 2.99 1.01 -0.02 -4.96 121.20 125.52 3lws s ILE 115 Ca -0.08 0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.60 3lws s ILE 115 Cb -0.14 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 3lws s ILE 115 CO 0.04 0.34 0.59 -0.76 0.00 0.00 0.00 174.94 175.14 3lws s LEU 116 N 1.08 4.11 -0.25 2.97 1.43 -1.26 -2.39 118.68 124.37 3lws s LEU 116 Ca 0.08 0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 53.79 3lws s LEU 116 Cb -0.14 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.23 3lws s LEU 116 CO 0.05 -0.28 0.18 -0.69 0.23 0.00 0.00 176.35 175.85 3lws s VAL 117 N 2.05 5.33 0.00 -1.59 1.01 0.81 -4.84 120.40 123.17 3lws s VAL 117 Ca 0.26 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3lws s VAL 117 Cb -0.16 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3lws s VAL 117 CO 0.09 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3lws n GLY 118 N 4.51 0.78 3.26 4.51 0.00 -1.26 -4.27 105.19 112.72 3lws n GLY 118 Ca -0.14 -1.32 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.00 1.66 0.54 4.61 0.00 -1.26 -4.97 121.76 120.34 3lws s ALA 119 Ca 0.00 -1.24 0.21 0.00 0.00 0.00 0.00 51.96 50.93 3lws s ALA 119 Cb 0.00 -0.18 1.42 0.00 0.00 0.00 0.00 23.12 24.36 3lws s ALA 119 CO 0.00 0.27 2.14 0.00 0.00 0.00 0.00 175.76 178.17 3lws h ALA 120 N 3.92 1.97 -0.63 0.00 0.00 -1.97 -2.83 119.26 119.72 3lws h ALA 120 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3lws h ALA 120 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3lws h ALA 120 CO 0.43 -0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.16 3lws n ASP 121 N -4.33 4.56 -3.69 0.00 5.75 -1.26 -4.84 116.55 112.73 3lws n ASP 121 Ca -0.01 -2.40 -0.09 0.00 -0.01 0.00 0.00 54.79 52.28 3lws n ASP 121 Cb 0.18 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 39.70 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 -1.76 1.79 0.00 0.11 1.70 -1.07 -5.03 118.95 114.69 3lws s ARG 122 Ca 0.49 -1.23 0.00 0.00 -0.47 0.00 0.00 55.73 54.53 3lws s ARG 122 Cb 0.31 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 35.24 3lws s ARG 122 CO 0.24 -0.80 0.00 1.28 -1.08 0.00 0.00 175.30 174.95 3lws n LEU 123 N -0.45 0.00 -4.12 -1.89 4.77 -1.26 -4.53 117.00 109.51 3lws n LEU 123 Ca -0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 3lws n LEU 123 Cb 0.60 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 3lws n LEU 123 CO 0.21 0.00 -0.37 0.42 -1.33 0.00 0.00 177.39 176.31 3lws s THR 125 N 0.00 0.45 0.30 -5.08 -4.23 -1.26 -4.70 115.64 101.12 3lws s THR 125 Ca 0.00 -1.81 -0.02 0.00 -1.18 0.00 0.00 61.69 58.68 3lws s THR 125 Cb 0.00 -1.52 0.27 0.00 1.34 0.00 0.00 72.50 72.59 3lws s THR 125 CO 0.00 -0.90 1.96 0.25 -0.54 0.00 0.00 174.62 175.39 3lws h LEU 126 N 3.17 0.94 -0.89 4.79 5.85 -1.99 -2.23 115.31 124.95 3lws h LEU 126 Ca -0.35 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.38 3lws h LEU 126 Cb 1.16 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 3lws h LEU 126 CO 0.64 0.67 0.58 0.44 -0.34 0.00 0.00 178.44 180.42 3lws h ASP 127 N 1.11 0.97 -0.48 1.25 3.32 -2.04 -0.84 116.42 119.71 3lws h ASP 127 Ca 0.32 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 3lws h ASP 127 Cb -0.07 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 3lws h ASP 127 CO -0.08 0.68 0.15 -0.33 -1.72 0.00 0.00 179.24 177.94 3lws h GLU 128 N 1.14 0.80 -0.12 3.56 5.08 -1.85 -1.16 114.58 122.03 3lws h GLU 128 Ca 0.35 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3lws h GLU 128 Cb -0.03 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3lws h GLU 128 CO -0.11 0.70 -0.00 0.82 -1.00 0.00 0.00 179.01 179.42 3lws h ILE 129 N 0.78 1.26 0.00 3.13 2.04 -1.03 -2.97 117.51 120.72 3lws h ILE 129 Ca 0.18 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 3lws h ILE 129 Cb 0.25 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3lws h ILE 129 CO -0.01 0.24 -0.02 0.11 0.00 0.00 0.00 178.15 178.48 3lws h LYS 130 N -0.05 0.00 -0.00 2.37 1.57 -0.95 -1.39 116.57 118.11 3lws h LYS 130 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3lws h LYS 130 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3lws h LYS 130 CO 0.01 0.02 -0.08 0.00 -0.57 0.00 0.00 179.45 178.82 3lws n ALA 131 N -2.30 2.57 -1.76 3.86 0.00 -0.46 -4.89 120.51 117.52 3lws n ALA 131 Ca -0.03 -0.16 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 3lws n ALA 131 Cb 0.10 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.87 4.11 0.00 0.00 1.43 -0.53 -5.04 118.68 115.79 3lws s LEU 132 Ca 0.18 2.82 -0.13 0.00 -1.03 0.00 0.00 54.13 55.97 3lws s LEU 132 Cb 0.19 -3.97 0.18 0.00 0.03 0.00 0.00 46.19 42.62 3lws s LEU 132 CO 0.53 -1.13 0.99 -0.81 0.23 0.00 0.00 176.35 176.17 3lws n PRO 133 N -0.21 -1.17 -1.63 1.29 -0.04 -1.26 -4.96 135.00 127.02 3lws n PRO 133 Ca 0.05 -1.54 -0.43 0.00 -0.04 0.00 0.00 63.50 61.55 3lws n PRO 133 Cb 0.43 -1.07 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 3lws n PRO 133 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3lws s ASP 134 N -4.60 5.92 0.20 3.54 1.01 -1.26 -4.97 116.67 116.51 3lws s ASP 134 Ca 0.57 2.28 0.04 0.00 0.71 0.00 0.00 52.55 56.15 3lws s ASP 134 Cb -0.02 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 3lws s ASP 134 CO 0.40 -1.53 -0.04 0.27 0.21 0.00 0.00 175.17 174.48 3lws s ILE 135 N 6.48 1.12 -0.01 0.77 -4.36 -1.26 -4.94 121.20 119.00 3lws s ILE 135 Ca 0.95 -2.05 -0.23 0.00 -0.26 0.00 0.00 60.65 59.05 3lws s ILE 135 Cb -0.38 -2.16 -0.19 0.00 1.25 0.00 0.00 42.46 40.98 3lws s ILE 135 CO 0.38 -0.48 1.22 0.00 0.24 0.00 0.00 174.94 176.30 3lws h ALA 136 N 2.58 0.09 -2.95 2.27 0.00 -1.39 -3.43 119.26 116.44 3lws h ALA 136 Ca -0.38 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.02 3lws h ALA 136 Cb 1.21 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.71 3lws h ALA 136 CO 0.64 -0.02 -0.42 0.00 0.00 0.00 0.00 179.25 179.45 3lws s LEU 138 N 1.02 4.18 -0.23 0.00 2.96 -0.38 -1.13 118.68 125.11 3lws s LEU 138 Ca -0.07 0.27 -0.08 0.00 -0.22 0.00 0.00 54.13 54.03 3lws s LEU 138 Cb -0.08 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 3lws s LEU 138 CO -0.07 0.10 0.09 -0.22 -1.32 0.00 0.00 176.35 174.93 3lws s LEU 139 N 0.72 3.74 0.03 -0.68 0.20 -0.27 -1.00 118.68 121.42 3lws s LEU 139 Ca 0.11 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.93 3lws s LEU 139 Cb -0.13 -1.98 -0.04 0.00 -0.43 0.00 0.00 46.19 43.61 3lws s LEU 139 CO 0.02 0.06 -0.04 -0.76 -0.29 0.00 0.00 176.35 175.34 3lws s LEU 140 N 1.08 3.32 -0.23 -0.68 1.43 -0.44 -4.43 118.68 118.74 3lws s LEU 140 Ca 0.05 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 3lws s LEU 140 Cb -0.14 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.15 3lws s LEU 140 CO 0.04 0.25 -0.12 -0.70 0.23 0.00 0.00 176.35 176.04 3lws s GLU 141 N -1.75 2.73 -0.31 1.70 2.12 -1.26 -0.23 118.70 121.70 3lws s GLU 141 Ca 0.20 -1.02 -0.05 0.00 0.36 0.00 0.00 54.97 54.46 3lws s GLU 141 Cb -0.11 -2.81 0.03 0.00 0.26 0.00 0.00 34.13 31.50 3lws s GLU 141 CO 0.12 -0.38 0.06 -0.51 -0.54 0.00 0.00 175.26 174.01 3lws s LEU 142 N 1.25 3.96 0.87 2.70 1.43 -0.95 -3.00 118.68 124.93 3lws s LEU 142 Ca -0.01 -1.01 -0.08 0.00 -1.03 0.00 0.00 54.13 52.01 3lws s LEU 142 Cb -0.16 -1.82 0.19 0.00 0.03 0.00 0.00 46.19 44.43 3lws s LEU 142 CO -0.08 -0.25 1.18 -2.16 0.23 0.00 0.00 176.35 175.28 3lws s PRO 143 N 1.39 0.95 -0.93 1.29 0.04 -1.26 -3.94 135.00 132.54 3lws s PRO 143 Ca -0.01 -0.92 -0.22 0.00 0.04 0.00 0.00 61.00 59.89 3lws s PRO 143 Cb -0.18 -2.09 0.08 0.00 0.04 0.00 0.00 34.50 32.34 3lws s PRO 143 CO 0.01 -2.07 1.28 -1.14 0.04 0.00 0.00 177.00 175.13 3lws s GLN 144 N -5.56 3.50 0.30 4.56 2.00 0.45 -4.83 119.66 120.10 3lws s GLN 144 Ca 0.72 -1.20 0.01 0.00 -2.00 0.00 0.00 55.36 52.90 3lws s GLN 144 Cb -0.03 -4.99 0.48 0.00 0.80 0.00 0.00 33.01 29.28 3lws s GLN 144 CO 0.49 -2.03 1.84 -0.09 -0.50 0.00 0.00 175.29 175.01 3lws h ARG 145 N 9.50 0.70 0.00 1.67 1.12 -1.87 -1.91 114.38 123.59 3lws h ARG 145 Ca 0.09 -0.15 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 3lws h ARG 145 Cb 1.02 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.88 3lws h ARG 145 CO 1.29 0.67 0.00 0.93 -3.11 0.00 0.00 179.97 179.75 3lws h GLU 146 N 0.67 0.00 -0.44 0.20 4.39 -1.89 -0.00 114.58 117.50 3lws h GLU 146 Ca 0.15 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.66 3lws h GLU 146 Cb 0.32 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.86 3lws h GLU 146 CO 0.00 0.00 0.06 0.44 -1.16 0.00 0.00 179.01 178.36 3lws n ILE 147 N -2.75 2.61 0.00 3.13 -5.35 -0.99 -4.94 119.36 111.07 3lws n ILE 147 Ca 0.00 -2.36 0.00 0.00 -0.27 0.00 0.00 62.75 60.13 3lws n ILE 147 Cb 0.22 -0.33 0.00 0.00 -1.74 0.00 0.00 39.64 37.79 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 -0.92 0.71 0.01 3.28 0.00 -0.02 -4.44 105.19 103.81 3lws n GLY 148 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 0.83 3.55 -0.02 0.00 -0.76 -3.50 105.19 103.29 3lws n GLY 149 Ca 0.00 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 3lws n GLY 149 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lws s VAL 150 N -2.01 3.13 0.03 1.61 -7.23 -1.23 -4.42 120.40 110.28 3lws s VAL 150 Ca 0.00 -1.49 -0.11 0.00 -1.81 0.00 0.00 61.98 58.57 3lws s VAL 150 Cb 0.00 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.46 3lws s VAL 150 CO 0.00 0.02 0.23 0.00 -0.31 0.00 0.00 175.10 175.04 3lws s ALA 151 N -1.38 -0.48 0.72 1.32 0.00 -1.26 -0.41 121.76 120.27 3lws s ALA 151 Ca 0.22 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 3lws s ALA 151 Cb -0.10 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.29 3lws s ALA 151 CO 0.13 -0.34 1.07 -1.25 0.00 0.00 0.00 175.76 175.37 3lws s PRO 152 N -2.28 2.73 0.71 0.00 0.04 -1.26 -5.02 135.00 129.92 3lws s PRO 152 Ca -0.07 0.76 -0.16 0.00 0.04 0.00 0.00 61.00 61.58 3lws s PRO 152 Cb -0.02 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.56 3lws s PRO 152 CO -0.02 -1.20 1.22 0.00 0.04 0.00 0.00 177.00 177.04 3lws s ALA 153 N -3.14 2.19 0.30 8.56 0.00 -1.26 -4.85 121.76 123.57 3lws s ALA 153 Ca 0.59 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.51 3lws s ALA 153 Cb -0.13 -3.48 0.60 0.00 0.00 0.00 0.00 23.12 20.11 3lws s ALA 153 CO 0.54 -1.77 1.86 0.35 0.00 0.00 0.00 175.76 176.74 3lws h PHE 154 N -0.07 1.06 -0.31 0.00 3.57 -1.95 -1.58 116.94 117.65 3lws h PHE 154 Ca -0.48 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 60.97 3lws h PHE 154 Cb 1.30 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 3lws h PHE 154 CO 0.46 0.45 -0.15 1.03 -2.23 0.00 0.00 178.31 177.87 3lws h SER 155 N 0.95 0.52 -0.71 0.41 0.87 -1.99 -1.59 113.55 112.00 3lws h SER 155 Ca 0.46 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.85 3lws h SER 155 Cb 0.46 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3lws h SER 155 CO -0.22 0.70 0.37 -0.08 -0.53 0.00 0.00 176.83 177.07 3lws h GLU 156 N 0.49 1.01 -0.38 2.24 4.81 -1.66 -1.77 114.58 119.32 3lws h GLU 156 Ca 0.09 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3lws h GLU 156 Cb 0.54 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3lws h GLU 156 CO 0.03 0.77 0.03 -0.07 -0.73 0.00 0.00 179.01 179.05 3lws h LEU 157 N 0.99 0.55 -0.52 1.64 3.38 -0.99 -1.42 115.31 118.94 3lws h LEU 157 Ca 0.25 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3lws h LEU 157 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3lws h LEU 157 CO -0.04 0.60 0.07 -0.33 0.09 0.00 0.00 178.44 178.84 3lws h GLU 158 N 0.56 0.87 -0.51 1.13 5.08 -0.80 -0.72 114.58 120.20 3lws h GLU 158 Ca 0.12 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3lws h GLU 158 Cb 0.31 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3lws h GLU 158 CO 0.01 0.86 0.19 1.15 -1.00 0.00 0.00 179.01 180.22 3lws h THR 159 N 0.75 1.22 -0.63 1.13 2.02 -0.99 -1.76 112.91 114.64 3lws h THR 159 Ca 0.16 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 3lws h THR 159 Cb 0.42 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3lws h THR 159 CO 0.01 0.26 0.18 0.40 0.37 0.00 0.00 175.52 176.74 3lws h ILE 160 N 0.68 1.25 -0.49 3.11 2.04 -1.09 -1.11 117.51 121.91 3lws h ILE 160 Ca 0.17 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 3lws h ILE 160 Cb 0.21 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3lws h ILE 160 CO -0.01 0.33 0.28 -1.28 0.00 0.00 0.00 178.15 177.47 3lws h SER 161 N 0.92 0.59 -0.46 1.72 0.87 -0.99 -1.56 113.55 114.63 3lws h SER 161 Ca 0.20 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 3lws h SER 161 Cb 0.32 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3lws h SER 161 CO -0.00 0.49 -0.10 -0.09 -0.53 0.00 0.00 176.83 176.60 3lws h ARG 162 N 0.65 0.89 0.73 2.24 2.43 -1.25 -2.44 114.38 117.62 3lws h ARG 162 Ca 0.17 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3lws h ARG 162 Cb 0.02 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3lws h ARG 162 CO -0.03 0.98 -0.39 -0.92 -1.51 0.00 0.00 179.97 178.10 3lws h TYR 163 N 0.73 -1.03 -0.57 2.20 3.20 -1.05 0.88 116.97 121.34 3lws h TYR 163 Ca 0.12 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.02 3lws h TYR 163 Cb 0.65 0.35 -0.05 0.00 1.54 0.00 0.00 36.73 39.22 3lws h TYR 163 CO 0.05 -0.62 0.30 0.00 -1.64 0.00 0.00 178.16 176.25 3lws h ARG 165 N 0.57 0.40 0.00 0.00 2.43 -1.36 0.61 114.38 117.03 3lws h ARG 165 Ca 0.25 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3lws h ARG 165 Cb 0.16 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3lws h ARG 165 CO -0.17 0.32 -0.04 0.93 -1.51 0.00 0.00 179.97 179.50 3lws h GLU 166 N 0.37 0.00 -0.03 0.20 5.08 0.31 -2.44 114.58 118.07 3lws h GLU 166 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3lws h GLU 166 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3lws h GLU 166 CO -0.02 0.04 -0.04 0.54 -1.00 0.00 0.00 179.01 178.54 3lws n ARG 167 N -3.33 2.12 -1.03 2.33 1.74 -0.22 -4.99 116.66 113.28 3lws n ARG 167 Ca -0.02 -1.80 -0.01 0.00 -0.77 0.00 0.00 57.85 55.25 3lws n ARG 167 Cb 0.18 -1.44 -0.00 0.00 -1.02 0.00 0.00 32.46 30.18 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 1.30 0.50 3.71 -0.13 0.00 0.03 -5.01 105.19 105.59 3lws n GLY 168 Ca 0.13 -0.36 -0.39 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 -1.96 5.09 0.26 -0.61 1.01 -0.20 -4.97 121.20 119.84 3lws s ILE 169 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 60.65 61.60 3lws s ILE 169 Cb 0.00 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.43 3lws s ILE 169 CO 0.00 0.26 1.06 -0.13 0.00 0.00 0.00 174.94 176.12 3lws s ARG 170 N 0.91 4.70 -0.25 2.79 1.81 -0.53 -4.15 118.95 124.23 3lws s ARG 170 Ca 0.32 1.72 -0.04 0.00 -1.72 0.00 0.00 55.73 56.01 3lws s ARG 170 Cb -0.17 -3.22 0.01 0.00 -0.45 0.00 0.00 34.95 31.12 3lws s ARG 170 CO 0.14 0.29 -0.02 -1.17 -0.68 0.00 0.00 175.30 173.86 3lws s LEU 171 N -1.32 3.22 -0.11 2.53 2.96 -1.26 -1.25 118.68 123.44 3lws s LEU 171 Ca 0.44 -0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3lws s LEU 171 Cb -0.30 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3lws s LEU 171 CO 0.38 -0.10 -0.05 -2.28 -1.32 0.00 0.00 176.35 172.99 3lws s HIS 172 N 1.44 2.99 -0.26 5.38 5.65 -0.17 -0.13 115.29 130.19 3lws s HIS 172 Ca 0.03 -0.11 -0.09 0.00 0.25 0.00 0.00 55.06 55.14 3lws s HIS 172 Cb -0.16 -1.82 -0.04 0.00 -1.18 0.00 0.00 32.58 29.39 3lws s HIS 172 CO -0.02 0.18 0.12 -1.17 -0.65 0.00 0.00 174.74 173.19 3lws s LEU 173 N -0.32 3.69 -0.92 8.88 2.96 -0.55 -1.33 118.68 131.08 3lws s LEU 173 Ca 0.05 -0.11 -0.22 0.00 -0.22 0.00 0.00 54.13 53.62 3lws s LEU 173 Cb -0.12 -2.00 0.07 0.00 0.50 0.00 0.00 46.19 44.63 3lws s LEU 173 CO 0.02 -0.03 1.29 -0.62 -1.32 0.00 0.00 176.35 175.70 3lws s ASP 174 N 1.60 6.46 -0.55 3.68 -1.08 0.68 -1.20 116.67 126.25 3lws s ASP 174 Ca 0.06 -1.43 0.01 0.00 -0.52 0.00 0.00 52.55 50.68 3lws s ASP 174 Cb -0.15 -2.51 0.52 0.00 -1.46 0.00 0.00 42.92 39.32 3lws s ASP 174 CO 0.06 -1.43 1.90 0.61 0.52 0.00 0.00 175.17 176.84 3lws n GLY 175 N 6.15 5.43 0.34 2.66 0.00 -0.02 -2.25 105.19 117.50 3lws n GLY 175 Ca 0.23 -1.89 0.22 0.00 0.00 0.00 0.00 46.02 44.58 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 1.64 1.90 -0.49 4.61 0.00 -1.86 -1.82 119.26 123.24 3lws h ALA 176 Ca 0.57 0.17 -0.34 0.00 0.00 0.00 0.00 54.91 55.32 3lws h ALA 176 Cb 1.56 0.12 -0.25 0.00 0.00 0.00 0.00 17.79 19.22 3lws h ALA 176 CO 1.30 -0.49 -0.50 0.54 0.00 0.00 0.00 179.25 180.11 3lws n ARG 177 N -5.01 2.69 -0.18 0.00 1.74 -1.26 -4.23 116.66 110.41 3lws n ARG 177 Ca 0.30 -3.71 -0.09 0.00 -0.77 0.00 0.00 57.85 53.58 3lws n ARG 177 Cb 0.91 -2.02 0.01 0.00 -1.02 0.00 0.00 32.46 30.34 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 1.64 0.79 -1.47 0.55 5.85 -1.45 -2.94 115.31 118.29 3lws h LEU 178 Ca 0.26 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3lws h LEU 178 Cb 1.35 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3lws h LEU 178 CO 0.54 0.85 0.34 -0.26 -0.34 0.00 0.00 178.44 179.56 3lws h PHE 179 N 0.70 0.66 0.00 1.25 0.04 -1.88 -3.10 116.94 114.62 3lws h PHE 179 Ca 0.15 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.94 3lws h PHE 179 Cb 0.39 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.32 3lws h PHE 179 CO 0.03 0.42 0.00 0.39 -0.60 0.00 0.00 178.31 178.55 3lws n GLU 180 N -4.45 0.28 0.00 1.51 4.71 -1.11 -4.43 120.64 117.15 3lws n GLU 180 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 3lws n GLU 180 Cb 0.05 -1.36 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 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 1.00 0.00 -0.18 -4.62 4.77 -1.17 -4.32 117.00 112.47 3lws n LEU 182 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3lws n LEU 182 Cb 0.14 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.31 3lws n LEU 182 CO 0.00 0.00 1.00 -0.65 -1.33 0.00 0.00 177.39 176.41 3lws h PRO 183 N 0.00 0.42 -0.36 3.23 0.11 -1.86 0.55 132.00 134.09 3lws h PRO 183 Ca 0.00 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 3lws h PRO 183 Cb 0.00 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3lws h PRO 183 CO 0.00 0.28 -0.19 -0.92 -0.21 0.00 0.00 178.00 176.96 3lws h TYR 184 N 0.44 0.89 0.00 0.65 3.20 -1.84 -2.81 116.97 117.49 3lws h TYR 184 Ca 0.27 -0.23 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 3lws h TYR 184 Cb 0.27 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3lws h TYR 184 CO -0.14 0.97 -0.27 1.88 -1.64 0.00 0.00 178.16 178.96 3lws h TYR 185 N 0.56 0.00 -5.58 -3.82 0.05 -1.84 -3.47 116.97 102.87 3lws h TYR 185 Ca 0.08 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.53 3lws h TYR 185 Cb 0.74 0.00 0.16 0.00 1.01 0.00 0.00 36.73 38.64 3lws h TYR 185 CO 0.06 0.27 -0.73 0.39 -1.05 0.00 0.00 178.16 177.09 3lws n GLU 186 N -3.47 -6.69 -4.03 4.88 1.02 0.17 -5.00 120.64 107.51 3lws n GLU 186 Ca -0.00 0.82 -0.08 0.00 -0.02 0.00 0.00 57.16 57.88 3lws n GLU 186 Cb 0.44 -5.78 -0.10 0.00 -0.02 0.00 0.00 31.44 25.98 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 -5.50 0.51 0.68 3.49 -0.14 -1.19 -5.08 119.74 112.50 3lws s LYS 187 Ca 0.11 -0.96 -0.10 0.00 -1.36 0.00 0.00 55.97 53.65 3lws s LYS 187 Cb -0.05 0.18 0.01 0.00 -1.68 0.00 0.00 37.83 36.29 3lws s LYS 187 CO 0.71 -0.10 1.05 0.95 -0.76 0.00 0.00 175.35 177.20 3lws s THR 188 N -2.96 3.55 0.31 2.17 -4.23 -1.26 -4.72 115.64 108.50 3lws s THR 188 Ca -0.02 0.37 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 3lws s THR 188 Cb 0.01 -3.48 0.28 0.00 1.34 0.00 0.00 72.50 70.65 3lws s THR 188 CO -0.06 -0.60 1.93 0.00 -0.54 0.00 0.00 174.62 175.35 3lws h ALA 189 N -0.53 1.53 -0.38 3.99 0.00 -1.97 -2.40 119.26 119.50 3lws h ALA 189 Ca -0.45 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 3lws h ALA 189 Cb 1.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3lws h ALA 189 CO 0.63 0.36 -0.31 0.00 0.00 0.00 0.00 179.25 179.93 3lws h ALA 190 N 1.53 0.73 -0.32 0.00 0.00 -1.73 0.18 119.26 119.63 3lws h ALA 190 Ca 0.35 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3lws h ALA 190 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3lws h ALA 190 CO -0.12 0.66 -0.05 0.93 0.00 0.00 0.00 179.25 180.67 3lws h GLU 191 N 0.71 0.51 0.14 0.00 5.08 -1.77 0.35 114.58 119.60 3lws h GLU 191 Ca 0.08 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3lws h GLU 191 Cb 0.86 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3lws h GLU 191 CO 0.08 0.58 -0.07 0.82 -1.00 0.00 0.00 179.01 179.42 3lws h ILE 192 N 0.49 0.69 -0.57 3.13 1.08 -1.39 -3.32 117.51 117.62 3lws h ILE 192 Ca 0.10 -1.20 0.16 0.00 -0.39 0.00 0.00 64.86 63.53 3lws h ILE 192 Cb 0.39 1.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 3lws h ILE 192 CO 0.02 0.20 0.41 0.00 -0.69 0.00 0.00 178.15 178.08 3lws h ALA 193 N -0.52 2.51 0.00 1.87 0.00 -0.84 -2.41 119.26 119.88 3lws h ALA 193 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3lws h ALA 193 Cb 0.47 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3lws h ALA 193 CO 0.03 -0.67 -0.00 0.78 0.00 0.00 0.00 179.25 179.39 3lws h GLY 194 N 0.02 0.00 1.87 0.00 0.00 -0.40 -2.49 103.07 102.08 3lws h GLY 194 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3lws h GLY 194 CO -0.01 0.00 -0.01 1.04 0.00 0.00 0.00 176.54 177.56 3lws n LEU 195 N -3.15 0.02 -4.52 3.11 4.77 -0.91 -4.89 117.00 111.43 3lws n LEU 195 Ca -0.03 0.43 -0.26 0.00 -0.03 0.00 0.00 56.01 56.13 3lws n LEU 195 Cb 0.11 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.66 3lws n LEU 195 CO 0.22 0.00 -0.44 -0.36 -1.33 0.00 0.00 177.39 175.48 3lws s PHE 196 N -2.90 2.51 0.10 -1.77 0.40 -0.94 -4.67 117.98 110.71 3lws s PHE 196 Ca 0.17 -0.27 -0.10 0.00 -0.60 0.00 0.00 56.93 56.14 3lws s PHE 196 Cb 0.19 -1.20 -0.17 0.00 0.51 0.00 0.00 43.02 42.35 3lws s PHE 196 CO 0.52 0.54 1.24 -0.44 0.70 0.00 0.00 175.22 177.78 3lws h ASP 197 N 2.81 0.74 -5.18 1.36 3.32 -0.81 -3.47 116.42 115.19 3lws h ASP 197 Ca -0.46 -0.60 -0.11 0.00 0.02 0.00 0.00 57.03 55.88 3lws h ASP 197 Cb 1.22 -0.23 -0.15 0.00 0.22 0.00 0.00 39.33 40.39 3lws h ASP 197 CO 0.54 1.40 -0.56 -0.94 -1.72 0.00 0.00 179.24 177.96 3lws s SER 198 N -7.20 0.31 -0.07 6.45 1.04 -1.13 -4.20 113.70 108.90 3lws s SER 198 Ca -0.08 -0.79 -0.07 0.00 0.48 0.00 0.00 55.95 55.49 3lws s SER 198 Cb 0.08 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.46 3lws s SER 198 CO 0.90 -0.61 0.20 -0.63 0.98 0.00 0.00 173.24 174.07 3lws s ILE 199 N -3.57 0.00 -0.08 -1.02 1.09 0.26 -1.49 121.20 116.39 3lws s ILE 199 Ca 0.03 -0.01 0.03 0.00 -1.10 0.00 0.00 60.65 59.60 3lws s ILE 199 Cb 0.05 -0.28 -0.02 0.00 -1.06 0.00 0.00 42.46 41.14 3lws s ILE 199 CO -0.09 -0.01 -0.16 -0.47 -0.10 0.00 0.00 174.94 174.12 3lws s TYR 200 N 0.08 2.70 0.08 3.97 5.04 -0.34 -0.01 117.35 128.86 3lws s TYR 200 Ca -0.00 -0.43 0.04 0.00 -2.44 0.00 0.00 57.07 54.23 3lws s TYR 200 Cb -0.01 -1.70 -0.03 0.00 0.35 0.00 0.00 41.96 40.56 3lws s TYR 200 CO 0.00 -0.03 -0.10 0.96 -1.34 0.00 0.00 175.55 175.04 3lws s ILE 201 N -0.24 0.88 0.13 3.14 -4.36 0.05 -0.84 121.20 119.96 3lws s ILE 201 Ca 0.01 -1.45 0.09 0.00 -0.26 0.00 0.00 60.65 59.03 3lws s ILE 201 Cb -0.13 -1.14 -0.04 0.00 1.25 0.00 0.00 42.46 42.40 3lws s ILE 201 CO 0.03 -0.46 -0.14 -0.55 0.24 0.00 0.00 174.94 174.06 3lws s SER 202 N -2.12 4.11 -0.03 4.36 0.15 -1.26 -0.54 113.70 118.37 3lws s SER 202 Ca 0.01 -0.53 0.14 0.00 0.70 0.00 0.00 55.95 56.26 3lws s SER 202 Cb -0.06 -0.66 0.41 0.00 -1.71 0.00 0.00 66.02 64.00 3lws s SER 202 CO 0.00 0.15 1.34 0.49 1.20 0.00 0.00 173.24 176.43 3lws n PHE 203 N 0.54 0.66 -2.32 3.44 3.72 -0.76 -4.82 117.46 117.91 3lws n PHE 203 Ca -0.14 -0.55 -0.19 0.00 -0.05 0.00 0.00 57.45 56.52 3lws n PHE 203 Cb 0.53 -0.07 0.02 0.00 -0.94 0.00 0.00 39.48 39.03 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 2.50 -0.06 1.38 4.11 -1.26 -0.29 117.16 124.14 3lws n TYR 204 Ca 0.15 -2.45 0.05 0.00 -0.00 0.00 0.00 57.90 55.66 3lws n TYR 204 Cb 0.54 -0.27 0.10 0.00 -0.00 0.00 0.00 39.34 39.71 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 -0.59 -0.13 0.23 -7.48 0.00 -1.26 -4.20 105.19 91.75 3lws n GLY 206 Ca 0.33 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.60 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 1.31 0.99 3.38 -1.88 -3.48 115.31 115.63 3lws h LEU 207 Ca 0.14 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 3lws h LEU 207 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3lws h LEU 207 CO -0.13 0.21 -0.24 0.61 0.09 0.00 0.00 178.44 178.98 3lws n GLY 208 N 0.11 0.05 0.00 0.83 0.00 -1.26 -4.68 105.19 100.24 3lws n GLY 208 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.07 -1.27 0.13 -0.02 0.00 0.60 -4.96 105.19 98.60 3lws n GLY 209 Ca -0.11 -1.58 -0.24 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.82 1.57 -3.93 -0.61 5.41 -1.26 -4.52 119.36 115.20 3lws n ILE 210 Ca 0.00 -0.38 0.01 0.00 1.00 0.00 0.00 62.75 63.38 3lws n ILE 210 Cb 0.00 -1.79 0.01 0.00 -0.71 0.00 0.00 39.64 37.15 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 -2.48 -2.28 0.00 -1.39 0.00 -1.26 -4.87 121.76 109.47 3lws s ALA 211 Ca -0.32 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3lws s ALA 211 Cb 0.10 0.81 0.00 0.00 0.00 0.00 0.00 23.12 24.03 3lws s ALA 211 CO 0.60 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.64 3lws n GLY 212 N -0.82 2.38 3.22 0.00 0.00 -1.16 -4.69 105.19 104.12 3lws n GLY 212 Ca 0.01 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.89 -0.44 -0.11 4.61 0.00 0.18 -1.84 121.76 121.28 3lws s ALA 213 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.66 3lws s ALA 213 Cb 0.00 0.43 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 3lws s ALA 213 CO 0.00 -0.47 -0.23 0.42 0.00 0.00 0.00 175.76 175.48 3lws s ILE 214 N -3.28 2.17 -0.23 0.00 -1.09 0.29 -0.76 121.20 118.30 3lws s ILE 214 Ca 0.00 -0.98 -0.06 0.00 -2.23 0.00 0.00 60.65 57.39 3lws s ILE 214 Cb 0.02 -1.84 -0.02 0.00 -1.58 0.00 0.00 42.46 39.04 3lws s ILE 214 CO -0.08 0.56 0.02 -0.22 -1.23 0.00 0.00 174.94 173.99 3lws s LEU 215 N 0.36 3.25 0.12 2.97 2.96 -0.38 -0.77 118.68 127.18 3lws s LEU 215 Ca -0.18 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.55 3lws s LEU 215 Cb -0.18 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3lws s LEU 215 CO 0.08 -0.01 -0.17 0.00 -1.32 0.00 0.00 176.35 174.93 3lws s ALA 216 N 1.43 1.65 0.00 5.97 0.00 0.98 -0.28 121.76 131.52 3lws s ALA 216 Ca 0.05 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3lws s ALA 216 Cb -0.15 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.82 3lws s ALA 216 CO 0.01 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.41 3lws n GLY 217 N 0.78 -0.53 3.69 0.00 0.00 -0.98 -0.58 105.19 107.56 3lws n GLY 217 Ca -0.17 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 3lws n GLY 217 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3lws n PRO 218 N 0.00 0.10 -0.09 1.61 -0.02 -1.26 -2.16 135.00 133.17 3lws n PRO 218 Ca 0.00 0.11 -0.08 0.00 -2.02 0.00 0.00 63.50 61.51 3lws n PRO 218 Cb 0.00 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.04 3lws n PRO 218 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lws h ALA 219 N -1.03 -0.22 -0.45 3.55 0.00 -1.91 -1.44 119.26 117.77 3lws h ALA 219 Ca -0.46 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3lws h ALA 219 Cb 1.30 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 3lws h ALA 219 CO 0.45 -0.74 0.13 0.00 0.00 0.00 0.00 179.25 179.09 3lws h ALA 220 N 0.70 0.59 -0.41 0.00 0.00 -1.99 -1.50 119.26 116.63 3lws h ALA 220 Ca 0.16 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3lws h ALA 220 Cb 0.54 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 3lws h ALA 220 CO -0.50 0.25 -0.18 0.35 0.00 0.00 0.00 179.25 179.18 3lws h PHE 221 N 0.59 -0.43 -0.21 0.00 3.57 -1.90 -1.97 116.94 116.58 3lws h PHE 221 Ca 0.14 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 3lws h PHE 221 Cb 0.29 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3lws h PHE 221 CO 0.02 -0.26 -0.11 0.00 -2.23 0.00 0.00 178.31 175.73 3lws h GLN 223 N 0.32 0.65 -0.56 0.00 4.20 -0.72 -1.65 115.11 117.35 3lws h GLN 223 Ca 0.07 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 3lws h GLN 223 Cb 0.39 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3lws h GLN 223 CO 0.02 0.65 0.04 1.15 -0.67 0.00 0.00 178.83 180.02 3lws h THR 224 N 0.53 1.25 -0.77 -0.54 2.02 -1.11 -2.89 112.91 111.39 3lws h THR 224 Ca 0.13 -1.04 0.04 0.00 0.77 0.00 0.00 66.41 66.31 3lws h THR 224 Cb 0.27 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 3lws h THR 224 CO -0.00 0.38 0.51 0.00 0.37 0.00 0.00 175.52 176.77 3lws h ALA 225 N 1.16 1.54 -0.16 6.16 0.00 -0.68 -1.22 119.26 126.07 3lws h ALA 225 Ca 0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3lws h ALA 225 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3lws h ALA 225 CO 0.02 0.38 -0.28 0.00 0.00 0.00 0.00 179.25 179.37 3lws h ARG 226 N 0.94 0.29 -0.15 0.00 3.08 -1.11 0.20 114.38 117.63 3lws h ARG 226 Ca 0.31 -0.10 -0.16 0.00 0.07 0.00 0.00 59.98 60.10 3lws h ARG 226 Cb 0.05 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.09 3lws h ARG 226 CO -0.09 0.55 -0.52 0.82 -1.07 0.00 0.00 179.97 179.66 3lws h ILE 227 N 0.26 1.33 -0.77 2.04 2.04 -1.10 -2.69 117.51 118.62 3lws h ILE 227 Ca 0.04 -1.78 -0.04 0.00 1.00 0.00 0.00 64.86 64.08 3lws h ILE 227 Cb 0.63 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 3lws h ILE 227 CO 0.05 0.55 0.32 -0.50 0.00 0.00 0.00 178.15 178.56 3lws h TRP 228 N 0.28 1.16 -0.74 1.37 4.06 -1.28 -1.36 115.95 119.44 3lws h TRP 228 Ca -0.02 -0.08 0.10 0.00 2.06 0.00 0.00 58.89 60.95 3lws h TRP 228 Cb 1.14 -0.35 -0.07 0.00 -1.00 0.00 0.00 29.16 28.88 3lws h TRP 228 CO 0.10 0.87 0.37 -0.22 -3.56 0.00 0.00 178.44 176.01 3lws h LYS 229 N 1.12 0.60 -0.56 0.49 3.64 -0.48 0.11 116.57 121.49 3lws h LYS 229 Ca 0.26 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 3lws h LYS 229 Cb 0.20 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3lws h LYS 229 CO -0.02 0.40 0.10 -0.09 -2.27 0.00 0.00 179.45 177.56 3lws h ARG 230 N 0.62 0.93 -0.90 1.90 9.65 -1.14 -0.87 114.38 124.56 3lws h ARG 230 Ca 0.37 -0.25 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 3lws h ARG 230 Cb 0.41 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 3lws h ARG 230 CO -0.28 0.89 0.51 0.00 2.80 0.00 0.00 179.97 183.89 3lws h ARG 231 N 0.83 1.25 0.00 0.20 3.08 -0.19 -2.04 114.38 117.50 3lws h ARG 231 Ca 0.17 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3lws h ARG 231 Cb 0.40 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3lws h ARG 231 CO 0.01 0.90 0.00 0.66 -1.07 0.00 0.00 179.97 180.47 3lws n TYR 232 N -4.34 0.42 -1.44 3.04 4.02 0.29 -4.90 117.16 114.26 3lws n TYR 232 Ca 0.10 0.16 -0.01 0.00 -0.01 0.00 0.00 57.90 58.13 3lws n TYR 232 Cb 0.09 -0.76 -0.00 0.00 -0.02 0.00 0.00 39.34 38.64 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 0.13 0.42 0.88 2.72 0.00 -0.77 -4.93 105.19 103.63 3lws n GLY 233 Ca 0.03 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.09 0.82 2.93 -0.02 0.00 -0.35 -4.70 105.19 101.79 3lws n GLY 234 Ca -0.02 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 1.15 5.82 -4.77 1.61 2.03 -1.13 -4.61 116.55 116.66 3lws n ASP 235 Ca 0.13 -3.28 -0.36 0.00 0.52 0.00 0.00 54.79 51.81 3lws n ASP 235 Cb 0.57 -1.37 0.01 0.00 -0.72 0.00 0.00 41.12 39.61 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 -1.59 3.76 0.28 -2.67 1.02 -1.26 -4.80 118.68 113.43 3lws s LEU 236 Ca 0.35 2.26 0.03 0.00 0.02 0.00 0.00 54.13 56.78 3lws s LEU 236 Cb 0.07 -4.54 0.64 0.00 0.02 0.00 0.00 46.19 42.38 3lws s LEU 236 CO 0.06 -1.29 1.77 -0.29 0.02 0.00 0.00 176.35 176.62 3lws h ILE 237 N 1.20 0.72 -3.12 -0.59 2.10 -1.94 -3.29 117.51 112.59 3lws h ILE 237 Ca -0.50 -0.24 -0.52 0.00 1.08 0.00 0.00 64.86 64.68 3lws h ILE 237 Cb 1.27 -0.05 -0.40 0.00 -1.09 0.00 0.00 36.82 36.55 3lws h ILE 237 CO 0.57 0.13 -0.76 -0.44 -1.08 0.00 0.00 178.15 176.56 3lws s SER 238 N -5.42 3.08 0.00 2.19 0.01 -1.26 -2.00 113.70 110.30 3lws s SER 238 Ca -0.12 -0.99 0.15 0.00 1.31 0.00 0.00 55.95 56.31 3lws s SER 238 Cb 0.23 -0.52 0.37 0.00 0.21 0.00 0.00 66.02 66.31 3lws s SER 238 CO 0.79 -0.36 1.29 0.18 0.41 0.00 0.00 173.24 175.55 3lws n LEU 239 N 5.10 3.11 -0.27 2.44 4.77 -1.26 -4.69 117.00 126.20 3lws n LEU 239 Ca -0.07 -1.78 0.07 0.00 -0.03 0.00 0.00 56.01 54.19 3lws n LEU 239 Cb 0.46 -0.26 0.30 0.00 -2.33 0.00 0.00 43.42 41.59 3lws n LEU 239 CO 0.11 0.74 1.23 0.10 -1.33 0.00 0.00 177.39 178.24 3lws h TYR 240 N 2.94 0.93 -0.60 -1.77 -0.00 -1.93 -1.60 116.97 114.94 3lws h TYR 240 Ca 0.00 0.02 0.15 0.00 0.00 0.00 0.00 58.73 58.91 3lws h TYR 240 Cb 0.79 -0.30 -0.03 0.00 0.00 0.00 0.00 36.73 37.19 3lws h TYR 240 CO 0.26 0.45 0.42 -1.35 -0.00 0.00 0.00 178.16 177.94 3lws h PRO 241 N 0.88 0.13 0.00 0.10 0.11 -2.01 0.17 132.00 131.38 3lws h PRO 241 Ca 0.39 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 66.25 3lws h PRO 241 Cb 0.35 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 3lws h PRO 241 CO -0.16 0.08 -1.50 1.88 -0.21 0.00 0.00 178.00 178.09 3lws h TYR 242 N 0.13 0.00 -0.03 0.65 0.05 -1.77 -3.31 116.97 112.68 3lws h TYR 242 Ca 0.29 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.88 3lws h TYR 242 Cb 0.97 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.72 3lws h TYR 242 CO -0.00 0.87 -0.71 0.82 -1.05 0.00 0.00 178.16 178.09 3lws h ILE 243 N 0.00 1.36 -0.14 -2.88 2.04 0.19 -0.99 117.51 117.08 3lws h ILE 243 Ca -0.21 -2.06 -0.01 0.00 1.00 0.00 0.00 64.86 63.57 3lws h ILE 243 Cb 1.85 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 40.33 3lws h ILE 243 CO 0.08 0.62 0.03 0.58 0.00 0.00 0.00 178.15 179.46 3lws h VAL 244 N 0.12 1.20 -0.38 1.67 2.07 -1.12 -1.07 116.25 118.74 3lws h VAL 244 Ca -0.08 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3lws h VAL 244 Cb 1.39 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 3lws h VAL 244 CO 0.14 0.19 0.21 0.77 0.02 0.00 0.00 177.57 178.90 3lws h SER 245 N 0.03 0.48 -0.29 0.57 4.64 -1.65 -0.74 113.55 116.58 3lws h SER 245 Ca 0.04 -0.09 0.06 0.00 -0.47 0.00 0.00 61.79 61.33 3lws h SER 245 Cb 0.26 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 62.17 3lws h SER 245 CO 0.00 0.43 -0.11 0.00 -0.87 0.00 0.00 176.83 176.29 3lws h ALA 246 N 1.06 0.14 -0.52 5.18 0.00 -1.03 -0.41 119.26 123.69 3lws h ALA 246 Ca 0.13 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3lws h ALA 246 Cb 0.06 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3lws h ALA 246 CO -0.02 -0.50 0.18 0.22 0.00 0.00 0.00 179.25 179.13 3lws h ASP 247 N -0.05 0.74 -0.34 0.00 3.58 -1.08 -0.49 116.42 118.78 3lws h ASP 247 Ca 0.14 -0.19 0.04 0.00 0.42 0.00 0.00 57.03 57.44 3lws h ASP 247 Cb 0.27 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 3lws h ASP 247 CO -0.32 0.73 0.11 0.22 -2.88 0.00 0.00 179.24 177.10 3lws h TYR 248 N 0.71 0.19 0.00 0.28 3.20 -0.67 0.66 116.97 121.34 3lws h TYR 248 Ca 0.17 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 3lws h TYR 248 Cb 0.24 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3lws h TYR 248 CO 0.01 0.08 -0.57 1.88 -1.64 0.00 0.00 178.16 177.92 3lws h TYR 249 N 0.25 0.00 0.43 -3.82 0.05 -0.96 -0.61 116.97 112.30 3lws h TYR 249 Ca 0.15 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 3lws h TYR 249 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 3lws h TYR 249 CO -0.15 0.57 -0.21 -0.92 -1.05 0.00 0.00 178.16 176.41 3lws h TYR 250 N 0.00 -0.53 -0.81 4.88 3.20 -0.82 -0.54 116.97 122.35 3lws h TYR 250 Ca -0.01 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 3lws h TYR 250 Cb 1.14 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.55 3lws h TYR 250 CO 0.00 -0.30 0.49 0.93 -1.64 0.00 0.00 178.16 177.65 3lws h GLU 251 N -0.64 1.09 -0.76 1.82 4.39 -0.74 -0.67 114.58 119.08 3lws h GLU 251 Ca -0.06 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.50 3lws h GLU 251 Cb 0.47 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3lws h GLU 251 CO 0.10 0.76 0.26 1.25 -1.16 0.00 0.00 179.01 180.22 3lws h LEU 252 N 1.11 1.08 -1.10 1.33 5.85 -0.98 -3.35 115.31 119.25 3lws h LEU 252 Ca 0.29 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3lws h LEU 252 Cb -0.06 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.69 3lws h LEU 252 CO -0.06 0.98 -0.00 0.54 -0.34 0.00 0.00 178.44 179.56 3lws n ARG 253 N -4.28 -0.47 0.17 1.25 1.74 -0.22 -4.69 116.66 110.16 3lws n ARG 253 Ca 0.06 -0.67 0.17 0.00 -0.77 0.00 0.00 57.85 56.64 3lws n ARG 253 Cb 0.21 -1.05 0.78 0.00 -1.02 0.00 0.00 32.46 31.38 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 0.58 0.00 -0.32 5.56 2.10 -1.27 -1.47 116.57 121.74 3lws h LYS 254 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 3lws h LYS 254 Cb 0.12 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.42 3lws h LYS 254 CO 0.00 0.00 0.01 -0.25 -2.00 0.00 0.00 179.45 177.21 3lws n ASP 255 N -3.99 3.67 -3.71 7.07 8.00 -1.26 -4.92 116.55 121.41 3lws n ASP 255 Ca 0.03 -3.20 -0.32 0.00 0.71 0.00 0.00 54.79 52.00 3lws n ASP 255 Cb 0.36 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 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 -0.62 2.96 0.00 -1.24 1.74 -0.56 -4.82 116.66 114.13 3lws n ARG 256 Ca 0.26 -4.60 0.00 0.00 -0.77 0.00 0.00 57.85 52.73 3lws n ARG 256 Cb 0.97 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 1.28 0.00 0.30 -0.13 0.00 -1.26 -1.83 105.19 103.55 3lws n GLY 258 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 1.03 -0.95 1.61 3.07 -2.00 -1.21 115.11 116.66 3lws h GLN 259 Ca 0.00 -0.36 0.00 0.00 0.09 0.00 0.00 58.65 58.38 3lws h GLN 259 Cb 0.00 -0.08 -0.05 0.00 0.08 0.00 0.00 27.48 27.44 3lws h GLN 259 CO 0.00 1.05 0.59 1.88 0.09 0.00 0.00 178.83 182.44 3lws h TYR 260 N 0.92 1.23 -0.28 0.06 0.05 -1.70 -0.27 116.97 116.99 3lws h TYR 260 Ca 0.15 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 3lws h TYR 260 Cb 0.64 -0.41 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 3lws h TYR 260 CO 0.04 0.80 0.03 -0.92 -1.05 0.00 0.00 178.16 177.06 3lws h TYR 261 N 1.30 0.51 -0.58 4.88 3.20 -1.75 -0.93 116.97 123.60 3lws h TYR 261 Ca 0.34 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 3lws h TYR 261 Cb -0.09 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 3lws h TYR 261 CO 0.00 0.60 0.16 0.93 -1.64 0.00 0.00 178.16 178.21 3lws h GLU 262 N 0.28 0.89 -0.36 1.82 4.39 -0.71 -1.73 114.58 119.17 3lws h GLU 262 Ca 0.08 -0.18 -0.15 0.00 0.34 0.00 0.00 59.36 59.45 3lws h GLU 262 Cb 0.38 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3lws h GLU 262 CO 0.01 0.79 -0.38 1.96 -1.16 0.00 0.00 179.01 180.23 3lws h GLN 263 N 0.86 0.86 -0.38 2.33 4.20 -0.94 -1.70 115.11 120.35 3lws h GLN 263 Ca 0.19 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 3lws h GLN 263 Cb 0.29 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3lws h GLN 263 CO -0.00 1.09 0.18 0.00 -0.67 0.00 0.00 178.83 179.42 3lws h ALA 264 N 0.86 0.49 -0.93 3.87 0.00 -0.99 0.38 119.26 122.93 3lws h ALA 264 Ca 0.06 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3lws h ALA 264 Cb 0.95 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3lws h ALA 264 CO 0.09 0.05 0.61 0.87 0.00 0.00 0.00 179.25 180.87 3lws h LYS 265 N 0.47 1.13 -0.25 0.00 1.57 -1.14 -0.74 116.57 117.60 3lws h LYS 265 Ca 0.13 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3lws h LYS 265 Cb 0.12 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3lws h LYS 265 CO -0.02 0.75 0.09 1.96 -0.57 0.00 0.00 179.45 181.66 3lws h GLN 266 N 1.16 0.38 -0.53 3.15 1.08 -0.71 -2.72 115.11 116.93 3lws h GLN 266 Ca 0.37 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.49 3lws h GLN 266 Cb 0.02 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 3lws h GLN 266 CO -0.11 0.45 0.31 -0.07 -0.95 0.00 0.00 178.83 178.45 3lws h LEU 267 N 0.25 0.63 -1.15 1.46 3.38 -0.65 -2.51 115.31 116.72 3lws h LEU 267 Ca 0.08 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3lws h LEU 267 Cb 0.21 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3lws h LEU 267 CO -0.00 0.51 0.58 0.00 0.09 0.00 0.00 178.44 179.62 3lws h ALA 268 N 1.15 1.46 -0.48 1.53 0.00 -1.10 -1.11 119.26 120.72 3lws h ALA 268 Ca 0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3lws h ALA 268 Cb -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3lws h ALA 268 CO -0.03 0.44 0.14 1.49 0.00 0.00 0.00 179.25 181.29 3lws h GLU 269 N 1.09 0.75 -0.80 0.00 4.81 -1.19 0.80 114.58 120.04 3lws h GLU 269 Ca 0.36 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3lws h GLU 269 Cb 0.06 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3lws h GLU 269 CO -0.11 0.71 0.46 1.96 -0.73 0.00 0.00 179.01 181.30 3lws h GLN 270 N 0.64 1.10 -0.18 1.92 1.08 -0.93 -2.73 115.11 116.01 3lws h GLN 270 Ca 0.15 -0.11 -0.17 0.00 -1.45 0.00 0.00 58.65 57.07 3lws h GLN 270 Cb 0.28 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3lws h GLN 270 CO -0.00 0.79 -0.55 0.74 -0.95 0.00 0.00 178.83 178.85 3lws h PHE 271 N 1.10 0.91 0.00 2.96 0.04 -0.88 -3.14 116.94 117.93 3lws h PHE 271 Ca 0.28 -0.36 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 3lws h PHE 271 Cb -0.01 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 3lws h PHE 271 CO -0.00 1.16 -0.23 -0.91 -0.60 0.00 0.00 178.31 177.73 3lws h ASN 272 N 0.39 0.00 0.46 2.17 2.35 -0.82 -1.69 115.58 118.44 3lws h ASN 272 Ca -0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3lws h ASN 272 Cb 1.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.54 3lws h ASN 272 CO 0.12 0.23 -0.08 0.00 -1.65 0.00 0.00 177.43 176.05 3lws h ALA 273 N 1.77 1.16 -2.61 -0.83 0.00 -1.43 -3.45 119.26 113.88 3lws h ALA 273 Ca -0.00 -0.07 -0.52 0.00 0.00 0.00 0.00 54.91 54.31 3lws h ALA 273 Cb 0.51 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3lws h ALA 273 CO 0.03 0.10 0.55 -0.51 0.00 0.00 0.00 179.25 179.41 3lws s LEU 274 N -6.83 4.43 0.24 0.00 1.43 -0.64 -5.00 118.68 112.32 3lws s LEU 274 Ca -0.02 2.15 -0.30 0.00 -1.03 0.00 0.00 54.13 54.93 3lws s LEU 274 Cb 0.12 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.65 3lws s LEU 274 CO 0.55 -0.37 1.29 -2.16 0.23 0.00 0.00 176.35 175.88 3lws s PRO 275 N 0.11 4.41 0.00 1.29 0.04 -1.26 -2.63 135.00 136.95 3lws s PRO 275 Ca 0.54 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.64 3lws s PRO 275 Cb -0.31 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.06 3lws s PRO 275 CO 0.34 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.60 3lws n GLY 276 N 1.87 0.53 2.79 0.56 0.00 -1.26 -4.88 105.19 104.80 3lws n GLY 276 Ca 0.04 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 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 0.05 0.17 1.61 1.01 -1.08 -1.09 120.40 119.06 3lws s VAL 277 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 3lws s VAL 277 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 3lws s VAL 277 CO 0.00 0.12 0.20 -1.38 0.00 0.00 0.00 175.10 174.03 3lws s HIS 278 N 1.08 0.68 0.21 5.22 -3.43 -0.18 -4.39 115.29 114.49 3lws s HIS 278 Ca -0.09 -1.03 0.06 0.00 -0.80 0.00 0.00 55.06 53.20 3lws s HIS 278 Cb -0.13 -0.27 -0.04 0.00 -1.43 0.00 0.00 32.58 30.71 3lws s HIS 278 CO -0.02 -0.66 0.18 0.95 -2.00 0.00 0.00 174.74 173.18 3lws s THR 279 N -4.03 4.53 -0.09 -5.38 -4.23 -1.26 -0.78 115.64 104.40 3lws s THR 279 Ca 0.24 -1.21 -0.01 0.00 -1.18 0.00 0.00 61.69 59.52 3lws s THR 279 Cb 0.05 -3.38 0.03 0.00 1.34 0.00 0.00 72.50 70.54 3lws s THR 279 CO 0.03 -0.23 -0.01 0.42 -0.54 0.00 0.00 174.62 174.30 3lws s THR 280 N -1.94 0.49 0.94 3.99 -4.23 -0.41 -3.32 115.64 111.17 3lws s THR 280 Ca 0.32 -0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.71 3lws s THR 280 Cb -0.09 -0.66 0.16 0.00 1.34 0.00 0.00 72.50 73.25 3lws s THR 280 CO 0.25 0.23 1.09 -2.16 -0.54 0.00 0.00 174.62 173.49 3lws s PRO 281 N 1.92 0.86 0.16 3.99 0.04 -1.26 -0.30 135.00 140.41 3lws s PRO 281 Ca 0.04 1.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.99 3lws s PRO 281 Cb -0.13 -1.74 0.06 0.00 0.04 0.00 0.00 34.50 32.73 3lws s PRO 281 CO -0.06 -2.58 1.80 1.49 0.04 0.00 0.00 177.00 177.69 3lws h GLU 282 N -1.81 0.49 -4.96 4.56 4.81 -1.96 -3.38 114.58 112.34 3lws h GLU 282 Ca -0.50 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.04 3lws h GLU 282 Cb 1.28 -0.11 -0.31 0.00 0.63 0.00 0.00 28.75 30.25 3lws h GLU 282 CO 0.50 0.33 -0.75 0.08 -0.73 0.00 0.00 179.01 178.43 3lws s VAL 283 N -6.15 2.97 0.66 0.32 1.01 -1.26 -4.77 120.40 113.18 3lws s VAL 283 Ca -0.13 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 3lws s VAL 283 Cb 0.12 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3lws s VAL 283 CO 0.73 0.33 1.29 -2.84 0.00 0.00 0.00 175.10 174.61 3lws s PRO 284 N 1.38 2.49 -0.09 2.72 0.02 -1.26 -4.94 135.00 135.32 3lws s PRO 284 Ca 0.03 2.06 0.13 0.00 0.02 0.00 0.00 61.00 63.25 3lws s PRO 284 Cb -0.15 -1.84 0.39 0.00 0.02 0.00 0.00 34.50 32.92 3lws s PRO 284 CO -0.05 -1.64 1.31 1.33 -0.33 0.00 0.00 177.00 177.62 3lws n VAL 285 N -1.98 1.66 -2.55 3.83 0.24 -1.26 -4.89 118.33 113.38 3lws n VAL 285 Ca 0.16 -1.49 0.00 0.00 -2.04 0.00 0.00 64.34 60.97 3lws n VAL 285 Cb 0.48 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 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 -0.14 0.00 -1.09 -1.34 3.41 -1.26 -4.53 113.62 108.67 3lws n SER 286 Ca 0.16 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 3lws n SER 286 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.23 3.15 0.00 4.04 6.94 -1.26 -4.56 115.26 123.34 3lws n ASN 287 Ca 0.00 -1.93 0.00 0.00 -0.02 0.00 0.00 54.58 52.63 3lws n ASN 287 Cb 0.00 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 36.86 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 0.70 0.00 -3.95 -2.53 -1.74 -0.74 -0.38 117.46 108.82 3lws n PHE 289 Ca 0.00 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.55 3lws n PHE 289 Cb 0.47 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.41 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 3.50 -0.29 2.97 3.76 0.59 -1.29 115.29 122.53 3lws s HIS 290 Ca 0.00 0.36 -0.02 0.00 -0.15 0.00 0.00 55.06 55.25 3lws s HIS 290 Cb 0.00 -1.83 0.04 0.00 1.11 0.00 0.00 32.58 31.90 3lws s HIS 290 CO 0.00 0.64 -0.00 -1.17 -0.85 0.00 0.00 174.74 173.36 3lws s LEU 291 N -1.69 3.80 -0.18 0.89 2.96 0.81 -1.28 118.68 123.99 3lws s LEU 291 Ca 0.24 -1.18 -0.09 0.00 -0.22 0.00 0.00 54.13 52.88 3lws s LEU 291 Cb -0.12 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 3lws s LEU 291 CO 0.14 -0.24 0.11 -1.00 -1.32 0.00 0.00 176.35 174.04 3lws s HIS 292 N 1.28 3.37 -0.12 5.38 3.76 0.04 -1.23 115.29 127.77 3lws s HIS 292 Ca -0.04 0.26 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 3lws s HIS 292 Cb -0.19 -2.10 -0.01 0.00 1.11 0.00 0.00 32.58 31.39 3lws s HIS 292 CO -0.01 0.29 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.94 3lws s PHE 293 N 0.20 2.72 0.30 1.40 0.40 -0.21 -1.01 117.98 121.78 3lws s PHE 293 Ca 0.07 -0.80 -0.29 0.00 -0.60 0.00 0.00 56.93 55.31 3lws s PHE 293 Cb -0.12 -1.80 -0.10 0.00 0.51 0.00 0.00 43.02 41.51 3lws s PHE 293 CO -0.01 -0.29 1.43 -0.51 0.70 0.00 0.00 175.22 176.54 3lws s ASP 294 N 0.35 6.59 0.00 1.36 1.01 -0.25 -1.12 116.67 124.61 3lws s ASP 294 Ca -0.14 2.79 0.00 0.00 0.71 0.00 0.00 52.55 55.91 3lws s ASP 294 Cb -0.17 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.12 3lws s ASP 294 CO 0.07 -0.72 0.00 0.61 0.21 0.00 0.00 175.17 175.34 3lws n GLY 295 N 1.46 1.37 3.91 0.21 0.00 -0.62 -4.85 105.19 106.66 3lws n GLY 295 Ca 0.04 -2.01 -0.20 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.00 2.61 0.35 1.61 -1.52 -1.26 -2.35 119.66 117.11 3lws s GLN 296 Ca 0.00 -1.46 0.06 0.00 -1.95 0.00 0.00 55.36 52.02 3lws s GLN 296 Cb 0.00 -2.48 0.74 0.00 -0.22 0.00 0.00 33.01 31.05 3lws s GLN 296 CO 0.00 -0.22 1.93 0.00 -0.25 0.00 0.00 175.29 176.75 3lws h ALA 297 N 0.92 1.72 -0.02 6.09 0.00 -1.94 0.17 119.26 126.20 3lws h ALA 297 Ca -0.41 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.49 3lws h ALA 297 Cb 1.27 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3lws h ALA 297 CO 0.54 0.13 0.02 0.00 0.00 0.00 0.00 179.25 179.93 3lws h ALA 298 N 1.59 2.00 0.19 0.00 0.00 -2.00 0.18 119.26 121.22 3lws h ALA 298 Ca 0.36 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.99 3lws h ALA 298 Cb 0.38 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.20 3lws h ALA 298 CO -0.13 -0.03 -1.27 -0.44 0.00 0.00 0.00 179.25 177.38 3lws h ASP 299 N 0.00 0.61 0.07 0.00 3.32 -1.10 -3.43 116.42 115.90 3lws h ASP 299 Ca 0.01 -0.92 -0.37 0.00 0.02 0.00 0.00 57.03 55.76 3lws h ASP 299 Cb 0.04 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 3lws h ASP 299 CO -0.00 1.60 -2.18 -0.38 -1.72 0.00 0.00 179.24 176.55 3lws n ILE 300 N -3.88 1.66 -0.24 0.35 2.08 -0.47 -4.41 119.36 114.45 3lws n ILE 300 Ca -0.18 -0.61 0.02 0.00 0.56 0.00 0.00 62.75 62.53 3lws n ILE 300 Cb 0.97 -1.62 0.09 0.00 -0.75 0.00 0.00 39.64 38.34 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 0.02 -0.59 -0.65 4.38 0.87 -0.87 -1.22 113.55 115.49 3lws h SER 301 Ca -0.49 0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.33 3lws h SER 301 Cb 1.97 0.42 -0.04 0.00 -0.44 0.00 0.00 62.40 64.31 3lws h SER 301 CO 0.01 -0.22 0.43 -0.65 -0.53 0.00 0.00 176.83 175.87 3lws h PRO 302 N 0.02 0.66 0.04 2.24 0.11 -1.77 0.20 132.00 133.50 3lws h PRO 302 Ca 0.35 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.42 3lws h PRO 302 Cb 0.56 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3lws h PRO 302 CO -0.71 0.44 -0.02 0.87 -0.21 0.00 0.00 178.00 178.37 3lws h LYS 303 N 0.68 -0.05 -0.61 1.05 1.57 -1.45 -2.11 116.57 115.65 3lws h LYS 303 Ca 0.27 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 3lws h LYS 303 Cb 0.22 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3lws h LYS 303 CO -0.08 0.16 0.32 -0.07 -0.57 0.00 0.00 179.45 179.21 3lws h LEU 304 N -0.26 0.78 -0.14 2.94 3.38 -1.05 -1.65 115.31 119.31 3lws h LEU 304 Ca -0.01 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.90 3lws h LEU 304 Cb 0.24 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3lws h LEU 304 CO 0.01 0.66 -0.34 -0.08 0.09 0.00 0.00 178.44 178.79 3lws h GLU 305 N 0.84 -0.40 0.37 1.13 4.81 -0.52 0.12 114.58 120.92 3lws h GLU 305 Ca 0.21 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3lws h GLU 305 Cb 0.07 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3lws h GLU 305 CO -0.03 -0.26 -0.25 0.37 -0.73 0.00 0.00 179.01 178.11 3lws h GLN 306 N -0.41 -0.58 -0.67 1.92 4.15 -1.12 0.10 115.11 118.51 3lws h GLN 306 Ca 0.09 0.04 0.14 0.00 0.77 0.00 0.00 58.65 59.69 3lws h GLN 306 Cb 0.56 0.13 -0.12 0.00 0.21 0.00 0.00 27.48 28.26 3lws h GLN 306 CO -0.36 -0.39 -0.11 0.28 -1.93 0.00 0.00 178.83 176.32 3lws h VAL 307 N -0.60 0.36 -0.16 2.39 2.07 -1.10 -1.60 116.25 117.62 3lws h VAL 307 Ca -0.04 -0.01 -0.14 0.00 0.82 0.00 0.00 66.70 67.34 3lws h VAL 307 Cb 0.51 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3lws h VAL 307 CO 0.02 0.01 -0.43 1.56 0.02 0.00 0.00 177.57 178.75 3lws h GLN 308 N 0.04 0.57 -0.32 1.57 4.20 -0.39 -1.88 115.11 118.90 3lws h GLN 308 Ca 0.34 -0.40 0.06 0.00 0.06 0.00 0.00 58.65 58.71 3lws h GLN 308 Cb 0.54 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.32 3lws h GLN 308 CO -0.65 1.02 -0.08 0.93 -0.67 0.00 0.00 178.83 179.38 3lws h GLU 309 N 0.22 0.00 0.04 1.46 5.08 -0.33 0.29 114.58 121.33 3lws h GLU 309 Ca -0.01 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3lws h GLU 309 Cb 1.05 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3lws h GLU 309 CO 0.09 0.00 -0.02 0.93 -1.00 0.00 0.00 179.01 179.01 3lws h GLU 310 N 0.00 -0.05 0.01 2.33 5.08 -1.27 -3.31 114.58 117.36 3lws h GLU 310 Ca 0.15 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.32 3lws h GLU 310 Cb 0.23 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3lws h GLU 310 CO -0.32 0.46 -0.91 1.79 -1.00 0.00 0.00 179.01 179.02 3lws h THR 311 N -0.59 1.62 -0.08 1.13 1.35 -1.34 -3.48 112.91 111.51 3lws h THR 311 Ca -0.01 -3.01 -0.04 0.00 -0.55 0.00 0.00 66.41 62.81 3lws h THR 311 Cb 0.54 2.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.59 3lws h THR 311 CO 0.01 0.86 -0.03 0.61 -0.25 0.00 0.00 175.52 176.72 3lws n GLY 312 N 1.06 0.50 3.45 5.82 0.00 0.09 -4.95 105.19 111.15 3lws n GLY 312 Ca -0.01 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.40 3.66 -0.51 0.99 2.96 -1.26 0.40 118.68 124.52 3lws s LEU 313 Ca 0.00 -0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.33 3lws s LEU 313 Cb 0.00 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.76 3lws s LEU 313 CO 0.00 -0.08 1.20 -0.83 -1.32 0.00 0.00 176.35 175.32 3lws s GLY 314 N 1.62 1.20 -0.13 7.98 0.00 0.17 -4.60 107.32 113.55 3lws s GLY 314 Ca 0.06 -0.57 -0.07 0.00 0.00 0.00 0.00 44.72 44.14 3lws s GLY 314 CO 0.05 2.51 0.33 0.69 0.00 0.00 0.00 173.10 176.67 3lws n PHE 315 N 8.25 1.19 -3.65 1.90 3.01 -1.26 -1.51 117.46 125.39 3lws n PHE 315 Ca 0.11 0.25 -0.16 0.00 1.01 0.00 0.00 57.45 58.67 3lws n PHE 315 Cb 0.49 -1.15 -0.15 0.00 -0.01 0.00 0.00 39.48 38.66 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 -2.55 -0.31 -0.54 -4.37 1.01 -1.26 -4.83 120.40 107.55 3lws s VAL 316 Ca -0.23 0.29 0.23 0.00 0.00 0.00 0.00 61.98 62.26 3lws s VAL 316 Cb 0.07 -0.38 -0.14 0.00 0.00 0.00 0.00 36.38 35.93 3lws s VAL 316 CO 0.76 0.10 0.95 0.61 0.00 0.00 0.00 175.10 177.52 3lws n GLY 317 N 5.33 -1.19 3.54 4.51 0.00 -1.26 -4.73 105.19 111.39 3lws n GLY 317 Ca -0.05 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 3lws n GLY 317 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3lws s TYR 318 N -3.24 -0.39 0.17 1.61 1.13 -1.26 -3.80 117.35 111.56 3lws s TYR 318 Ca 0.02 0.50 0.11 0.00 -1.41 0.00 0.00 57.07 56.29 3lws s TYR 318 Cb 0.14 0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 41.44 3lws s TYR 318 CO 0.82 -0.47 -0.24 -0.51 -2.51 0.00 0.00 175.55 172.64 3lws s LEU 319 N -1.74 2.44 -0.19 -3.49 1.43 -1.26 -4.55 118.68 111.32 3lws s LEU 319 Ca 0.00 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 3lws s LEU 319 Cb -0.01 -1.24 0.04 0.00 0.03 0.00 0.00 46.19 45.02 3lws s LEU 319 CO -0.02 0.14 -0.11 -0.69 0.23 0.00 0.00 176.35 175.90 3lws s VAL 320 N -1.44 1.65 0.28 -1.59 1.01 0.37 -4.90 120.40 115.78 3lws s VAL 320 Ca 0.19 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 3lws s VAL 320 Cb -0.09 -1.69 -0.10 0.00 0.00 0.00 0.00 36.38 34.51 3lws s VAL 320 CO 0.09 0.23 1.21 -1.81 0.00 0.00 0.00 175.10 174.82 3lws s ASP 321 N 1.41 7.02 0.00 3.32 1.01 -1.26 -0.95 116.67 127.21 3lws s ASP 321 Ca -0.00 2.44 0.00 0.00 0.71 0.00 0.00 52.55 55.70 3lws s ASP 321 Cb -0.16 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.14 3lws s ASP 321 CO -0.09 -0.36 0.00 0.29 0.21 0.00 0.00 175.17 175.22 3lws n LYS 322 N 1.36 1.94 -2.57 8.23 4.76 0.57 -4.95 118.16 127.51 3lws n LYS 322 Ca 0.01 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.04 3lws n LYS 322 Cb 0.43 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.59 3lws n LYS 322 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3lws s ASP 323 N 0.87 6.29 0.00 4.39 1.01 -1.26 -3.94 116.67 124.03 3lws s ASP 323 Ca 0.00 -0.87 0.00 0.00 0.71 0.00 0.00 52.55 52.39 3lws s ASP 323 Cb 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.37 3lws s ASP 323 CO 0.00 -1.69 0.00 0.61 0.21 0.00 0.00 175.17 174.30 3lws n GLY 324 N 5.93 0.68 3.46 0.21 0.00 -1.26 -4.98 105.19 109.23 3lws n GLY 324 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.91 0.44 0.10 1.61 1.13 -1.25 -1.59 117.35 114.88 3lws s TYR 325 Ca 0.00 -0.78 0.03 0.00 -1.41 0.00 0.00 57.07 54.91 3lws s TYR 325 Cb 0.00 0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.86 3lws s TYR 325 CO 0.00 -0.86 -0.09 0.00 -2.51 0.00 0.00 175.55 172.08 3lws s SER 327 N -2.57 0.45 0.06 0.00 0.15 -0.13 -1.04 113.70 110.61 3lws s SER 327 Ca 0.07 -0.46 -0.03 0.00 0.70 0.00 0.00 55.95 56.23 3lws s SER 327 Cb -0.01 0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.33 3lws s SER 327 CO -0.01 -0.23 0.03 0.28 1.20 0.00 0.00 173.24 174.52 3lws s THR 328 N -1.26 0.20 -0.17 6.45 -1.32 -0.37 -0.48 115.64 118.70 3lws s THR 328 Ca -0.12 -1.63 -0.05 0.00 -1.21 0.00 0.00 61.69 58.68 3lws s THR 328 Cb -0.09 -1.46 -0.03 0.00 -1.51 0.00 0.00 72.50 69.41 3lws s THR 328 CO -0.00 -0.90 0.01 -0.70 -2.21 0.00 0.00 174.62 170.81 3lws s GLU 329 N -3.88 3.81 -0.19 7.08 2.12 -1.26 -0.13 118.70 126.25 3lws s GLU 329 Ca 0.06 -0.44 -0.04 0.00 0.36 0.00 0.00 54.97 54.92 3lws s GLU 329 Cb 0.07 -3.05 -0.02 0.00 0.26 0.00 0.00 34.13 31.39 3lws s GLU 329 CO -0.10 0.26 -0.03 0.42 -0.54 0.00 0.00 175.26 175.27 3lws s ILE 330 N 0.35 3.70 -0.16 -3.70 -1.09 -0.41 -4.98 121.20 114.91 3lws s ILE 330 Ca -0.01 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 3lws s ILE 330 Cb -0.13 -2.65 0.03 0.00 -1.58 0.00 0.00 42.46 38.12 3lws s ILE 330 CO 0.02 0.45 -0.13 -0.44 -1.23 0.00 0.00 174.94 173.61 3lws s SER 331 N 0.88 2.83 0.11 3.58 0.01 -1.26 -1.78 113.70 118.06 3lws s SER 331 Ca -0.00 -0.57 -0.28 0.00 1.31 0.00 0.00 55.95 56.41 3lws s SER 331 Cb -0.15 -1.18 -0.06 0.00 0.21 0.00 0.00 66.02 64.84 3lws s SER 331 CO 0.01 -0.08 0.86 -0.69 0.41 0.00 0.00 173.24 173.76 3lws s VAL 332 N 1.47 4.51 0.00 3.43 1.01 0.49 -0.80 120.40 130.51 3lws s VAL 332 Ca 0.04 1.87 0.00 0.00 0.00 0.00 0.00 61.98 63.88 3lws s VAL 332 Cb -0.13 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.02 3lws s VAL 332 CO -0.10 0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3lws n GLY 333 N 2.11 4.98 0.23 4.51 0.00 -1.20 -4.83 105.19 110.99 3lws n GLY 333 Ca -0.01 -0.98 0.10 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.36 1.61 3.32 -1.78 -3.24 116.42 115.97 3lws h ASP 334 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3lws h ASP 334 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3lws h ASP 334 CO 0.00 0.22 0.22 0.00 -1.72 0.00 0.00 179.24 177.96 3lws h ALA 335 N 1.78 0.45 -0.49 3.45 0.00 -1.47 -3.01 119.26 119.97 3lws h ALA 335 Ca -0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3lws h ALA 335 Cb 0.57 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3lws h ALA 335 CO 0.03 -0.06 0.20 -0.92 0.00 0.00 0.00 179.25 178.49 3lws h TYR 336 N 0.47 0.35 0.00 0.00 3.20 -1.55 -1.83 116.97 117.60 3lws h TYR 336 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3lws h TYR 336 Cb -0.02 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3lws h TYR 336 CO -0.04 0.13 0.00 0.41 -1.64 0.00 0.00 178.16 177.02 3lws n GLY 337 N -1.26 -0.81 0.41 1.82 0.00 -1.14 -1.18 105.19 103.02 3lws n GLY 337 Ca 0.05 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3lws n GLY 337 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3lws n GLU 338 N -1.56 1.33 -3.08 1.61 1.02 -0.69 -4.80 120.64 114.46 3lws n GLU 338 Ca 0.02 -0.82 -0.41 0.00 -0.02 0.00 0.00 57.16 55.93 3lws n GLU 338 Cb 0.10 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.24 4.11 0.94 -4.62 1.43 -0.33 -5.06 118.68 112.92 3lws s LEU 339 Ca 0.31 0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 53.84 3lws s LEU 339 Cb 0.20 -2.87 0.15 0.00 0.03 0.00 0.00 46.19 43.70 3lws s LEU 339 CO 0.42 -0.47 1.12 1.51 0.23 0.00 0.00 176.35 179.17 3lws s ASP 340 N 1.58 3.22 0.23 2.29 1.47 -1.26 -4.75 116.67 119.45 3lws s ASP 340 Ca 0.27 1.02 -0.06 0.00 1.18 0.00 0.00 52.55 54.95 3lws s ASP 340 Cb -0.15 -1.62 0.22 0.00 -0.34 0.00 0.00 42.92 41.03 3lws s ASP 340 CO 0.11 -2.74 1.84 -0.61 0.68 0.00 0.00 175.17 174.45 3lws h GLN 341 N -1.63 1.21 -0.47 2.11 5.75 -1.99 -0.49 115.11 119.61 3lws h GLN 341 Ca -0.52 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 57.72 3lws h GLN 341 Cb 1.33 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 3lws h GLN 341 CO 0.61 0.92 -0.09 0.37 -2.65 0.00 0.00 178.83 177.98 3lws h GLN 342 N 1.21 0.89 -0.84 1.69 5.75 -1.98 0.19 115.11 122.02 3lws h GLN 342 Ca 0.30 -0.33 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3lws h GLN 342 Cb 0.09 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 3lws h GLN 342 CO -0.04 0.98 0.44 1.15 -2.65 0.00 0.00 178.83 178.70 3lws h THR 343 N 0.73 1.25 -0.09 2.39 2.02 -1.82 0.25 112.91 117.64 3lws h THR 343 Ca 0.12 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 3lws h THR 343 Cb 0.64 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3lws h THR 343 CO 0.04 0.29 -0.06 0.03 0.37 0.00 0.00 175.52 176.19 3lws h ARG 344 N 1.18 0.20 -0.64 6.66 3.08 -0.70 -2.71 114.38 121.44 3lws h ARG 344 Ca 0.29 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.26 3lws h ARG 344 Cb 0.06 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3lws h ARG 344 CO -0.04 0.58 0.42 -0.44 -1.07 0.00 0.00 179.97 179.42 3lws h ASP 345 N -0.19 0.73 -0.55 7.04 5.19 -0.46 -1.21 116.42 126.97 3lws h ASP 345 Ca 0.02 -0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 3lws h ASP 345 Cb 0.53 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 3lws h ASP 345 CO 0.02 0.53 -0.04 0.00 -3.12 0.00 0.00 179.24 176.62 3lws h ALA 346 N 1.24 0.75 0.31 3.45 0.00 -1.01 -1.90 119.26 122.09 3lws h ALA 346 Ca 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3lws h ALA 346 Cb -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3lws h ALA 346 CO -0.05 0.61 -0.15 0.78 0.00 0.00 0.00 179.25 180.44 3lws h GLY 347 N 0.88 -0.44 1.83 0.00 0.00 -1.24 -2.16 103.07 101.94 3lws h GLY 347 Ca 0.15 0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 3lws h GLY 347 CO 0.04 -0.16 -0.18 0.74 0.00 0.00 0.00 176.54 176.97 3lws h PHE 348 N -0.42 0.22 -0.38 5.60 0.04 -1.23 0.27 116.94 121.04 3lws h PHE 348 Ca -0.04 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.61 3lws h PHE 348 Cb 0.32 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 3lws h PHE 348 CO -0.06 0.39 -0.10 0.00 -0.60 0.00 0.00 178.31 177.94 3lws h ALA 349 N 1.62 0.53 -0.70 2.45 0.00 -1.28 0.23 119.26 122.10 3lws h ALA 349 Ca 0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3lws h ALA 349 Cb 0.44 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3lws h ALA 349 CO 0.03 0.40 0.21 -0.09 0.00 0.00 0.00 179.25 179.80 3lws h ARG 350 N 0.55 1.09 -0.45 0.00 9.65 -0.62 0.11 114.38 124.71 3lws h ARG 350 Ca 0.10 -0.23 -0.06 0.00 -1.10 0.00 0.00 59.98 58.68 3lws h ARG 350 Cb 0.62 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 3lws h ARG 350 CO 0.04 0.94 0.04 1.25 2.80 0.00 0.00 179.97 185.03 3lws h LEU 351 N 1.05 0.74 -1.07 3.80 5.85 -0.43 -2.78 115.31 122.48 3lws h LEU 351 Ca 0.23 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.74 3lws h LEU 351 Cb 0.31 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 3lws h LEU 351 CO -0.01 0.84 0.62 0.03 -0.34 0.00 0.00 178.44 179.59 3lws h ARG 352 N 0.62 1.06 -0.27 1.25 3.08 0.02 -1.26 114.38 118.89 3lws h ARG 352 Ca 0.13 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3lws h ARG 352 Cb 0.44 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3lws h ARG 352 CO 0.02 0.70 0.13 1.96 -1.07 0.00 0.00 179.97 181.71 3lws h GLN 353 N 1.09 0.36 0.00 0.04 4.20 -0.57 -2.86 115.11 117.37 3lws h GLN 353 Ca 0.42 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 59.00 3lws h GLN 353 Cb 0.23 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3lws h GLN 353 CO -0.17 0.28 -0.50 0.00 -0.67 0.00 0.00 178.83 177.76 3lws h ALA 354 N 1.78 0.87 0.00 3.87 0.00 -0.97 -3.51 119.26 121.29 3lws h ALA 354 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3lws h ALA 354 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3lws h ALA 354 CO -0.01 0.63 0.00 1.19 0.00 0.00 0.00 179.25 181.05