#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 0.00 -0.09 1.20 2.43 -1.99 -2.60 114.38 113.33 3lws h ARG 3 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3lws h ARG 3 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3lws h ARG 3 CO 0.00 0.43 -0.03 1.25 -1.51 0.00 0.00 179.97 180.10 3lws h LEU 4 N 0.00 0.18 -0.48 3.80 5.85 -1.92 0.61 115.31 123.35 3lws h LEU 4 Ca -0.00 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.34 3lws h LEU 4 Cb 0.95 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 3lws h LEU 4 CO 0.06 0.53 0.30 -0.09 -0.34 0.00 0.00 178.44 178.89 3lws h ARG 5 N -0.17 0.58 -0.32 1.25 2.43 -1.63 -2.15 114.38 114.38 3lws h ARG 5 Ca 0.02 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3lws h ARG 5 Cb 0.46 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3lws h ARG 5 CO 0.01 0.39 0.14 1.15 -1.51 0.00 0.00 179.97 180.15 3lws h THR 6 N 0.60 1.17 -0.91 0.20 2.02 -1.45 -2.02 112.91 112.52 3lws h THR 6 Ca 0.18 -0.51 0.12 0.00 0.77 0.00 0.00 66.41 66.97 3lws h THR 6 Cb -0.02 0.91 -0.07 0.00 -1.74 0.00 0.00 68.15 67.23 3lws h THR 6 CO -0.07 0.18 0.58 0.77 0.37 0.00 0.00 175.52 177.36 3lws h SER 7 N 0.38 0.77 0.07 4.18 4.64 -0.68 -2.36 113.55 120.55 3lws h SER 7 Ca 0.11 0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.27 3lws h SER 7 Cb 0.15 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3lws h SER 7 CO -0.01 0.42 -0.73 0.15 -0.87 0.00 0.00 176.83 175.79 3lws h PHE 8 N 0.83 0.78 -0.01 4.77 3.57 -1.12 -3.29 116.94 122.47 3lws h PHE 8 Ca 0.44 -0.34 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 3lws h PHE 8 Cb 0.54 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3lws h PHE 8 CO -0.00 1.12 -0.60 1.96 -2.23 0.00 0.00 178.31 178.56 3lws h GLN 9 N 0.40 0.04 0.00 1.11 4.20 -0.88 -3.03 115.11 116.95 3lws h GLN 9 Ca -0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3lws h GLN 9 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 3lws h GLN 9 CO 0.14 0.63 0.00 1.96 -0.67 0.00 0.00 178.83 180.89 3lws h GLN 10 N 0.03 0.00 -7.06 1.46 1.08 -1.51 -3.47 115.11 105.64 3lws h GLN 10 Ca -0.01 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 3lws h GLN 10 Cb 1.07 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 28.64 3lws h GLN 10 CO 0.08 0.00 0.57 0.95 -0.95 0.00 0.00 178.83 179.48 3lws s THR 11 N -3.30 2.16 -2.40 -0.54 -4.23 -1.14 -4.91 115.64 101.27 3lws s THR 11 Ca 0.06 0.12 0.28 0.00 -1.18 0.00 0.00 61.69 60.96 3lws s THR 11 Cb 0.08 -3.06 0.50 0.00 1.34 0.00 0.00 72.50 71.36 3lws s THR 11 CO 0.59 -0.01 1.70 0.35 -0.54 0.00 0.00 174.62 176.72 3lws n THR 12 N -1.25 0.00 -3.44 3.99 -2.24 -0.02 -4.88 114.28 106.44 3lws n THR 12 Ca 0.12 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 3lws n THR 12 Cb 0.46 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.19 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 -2.08 -0.59 0.05 3.38 0.00 -1.14 -5.05 107.32 101.89 3lws s GLY 13 Ca 0.36 0.45 -0.04 0.00 0.00 0.00 0.00 44.72 45.48 3lws s GLY 13 CO 0.36 0.13 0.05 1.20 0.00 0.00 0.00 173.10 174.84 3lws s GLN 14 N -3.76 0.62 0.11 2.90 1.11 -1.26 0.33 119.66 119.71 3lws s GLN 14 Ca 0.01 -0.98 0.16 0.00 0.01 0.00 0.00 55.36 54.56 3lws s GLN 14 Cb -0.01 0.23 -0.10 0.00 -1.01 0.00 0.00 33.01 32.12 3lws s GLN 14 CO -0.13 -0.15 0.97 -0.84 0.01 0.00 0.00 175.29 175.16 3lws h ILE 15 N 3.35 0.64 -3.33 1.08 3.07 -1.48 -3.11 117.51 117.73 3lws h ILE 15 Ca -0.33 -2.13 -0.65 0.00 1.55 0.00 0.00 64.86 63.29 3lws h ILE 15 Cb 1.17 2.17 -0.12 0.00 -0.27 0.00 0.00 36.82 39.76 3lws h ILE 15 CO 0.58 0.37 -0.65 -0.94 -1.05 0.00 0.00 178.15 176.45 3lws s SER 16 N -5.98 5.12 0.00 2.16 1.04 -1.26 -4.13 113.70 110.65 3lws s SER 16 Ca -0.01 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3lws s SER 16 Cb 0.08 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.92 3lws s SER 16 CO 0.80 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.84 3lws n GLY 17 N 0.86 -2.09 0.00 7.32 0.00 -0.02 -4.66 105.19 106.61 3lws n GLY 17 Ca -0.12 -1.50 0.06 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.06 0.00 0.00 1.61 8.25 -1.26 -1.83 115.22 121.93 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 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 30.96 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 1.56 0.85 3.75 -1.41 0.00 -1.26 -3.99 105.19 104.70 3lws n GLY 19 Ca -0.00 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.58 4.40 -1.09 1.61 3.01 -1.26 -4.91 119.74 119.92 3lws s LYS 20 Ca 0.00 2.11 -0.19 0.00 -1.01 0.00 0.00 55.97 56.88 3lws s LYS 20 Cb 0.00 -3.14 0.10 0.00 -1.01 0.00 0.00 37.83 33.79 3lws s LYS 20 CO 0.00 -0.18 1.41 0.50 0.51 0.00 0.00 175.35 177.59 3lws s ARG 21 N -1.00 3.78 0.46 1.68 3.52 -1.26 -4.86 118.95 121.27 3lws s ARG 21 Ca 0.52 -1.81 0.03 0.00 -0.13 0.00 0.00 55.73 54.34 3lws s ARG 21 Cb -0.38 -5.20 -0.03 0.00 -1.56 0.00 0.00 34.95 27.79 3lws s ARG 21 CO 0.45 -1.99 0.04 0.54 -0.81 0.00 0.00 175.30 173.53 3lws s ASN 22 N 3.95 3.60 0.40 -2.12 2.20 -1.26 -5.04 114.94 116.67 3lws s ASN 22 Ca 0.43 -1.60 0.08 0.00 -0.94 0.00 0.00 52.86 50.82 3lws s ASN 22 Cb -0.01 0.35 0.82 0.00 -2.00 0.00 0.00 41.25 40.41 3lws s ASN 22 CO -0.04 -0.80 1.99 0.58 -2.94 0.00 0.00 177.10 175.89 3lws h VAL 23 N 1.58 1.13 -0.72 3.54 2.07 -2.02 -2.15 116.25 119.69 3lws h VAL 23 Ca -0.41 -0.45 0.21 0.00 0.82 0.00 0.00 66.70 66.86 3lws h VAL 23 Cb 1.29 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3lws h VAL 23 CO 0.70 0.17 0.57 1.23 0.02 0.00 0.00 177.57 180.25 3lws h GLY 24 N 0.61 0.00 0.78 2.17 0.00 -1.96 0.18 103.07 104.85 3lws h GLY 24 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.48 3lws h GLY 24 CO -0.01 0.00 0.60 -2.08 0.00 0.00 0.00 176.54 175.06 3lws h VAL 25 N 0.00 1.10 -0.02 4.60 2.07 -1.72 -1.20 116.25 121.08 3lws h VAL 25 Ca 0.34 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 3lws h VAL 25 Cb 1.47 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3lws h VAL 25 CO -0.00 0.20 -0.36 0.25 0.02 0.00 0.00 177.57 177.68 3lws h LEU 26 N 1.12 0.35 -0.96 2.57 5.85 -0.85 -3.20 115.31 120.20 3lws h LEU 26 Ca 0.40 -0.73 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 3lws h LEU 26 Cb 0.11 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3lws h LEU 26 CO -0.16 1.03 0.44 0.11 -0.34 0.00 0.00 178.44 179.53 3lws h LYS 27 N -0.29 1.18 -0.26 1.25 1.57 -1.20 -2.59 116.57 116.23 3lws h LYS 27 Ca -0.04 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3lws h LYS 27 Cb 1.06 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 3lws h LYS 27 CO 0.07 0.87 -0.02 1.15 -0.57 0.00 0.00 179.45 180.96 3lws h THR 28 N 1.18 0.79 -0.43 -0.16 2.02 -1.32 -0.95 112.91 114.04 3lws h THR 28 Ca 0.29 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.47 3lws h THR 28 Cb 0.05 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3lws h THR 28 CO -0.04 0.01 0.29 0.00 0.37 0.00 0.00 175.52 176.14 3lws h ALA 29 N 1.24 1.73 -0.00 6.16 0.00 -1.46 -2.80 119.26 124.13 3lws h ALA 29 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3lws h ALA 29 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3lws h ALA 29 CO -0.23 0.24 -0.59 1.19 0.00 0.00 0.00 179.25 179.86 3lws n PHE 30 N -4.47 0.00 0.01 0.00 3.01 -1.03 -4.55 117.46 110.42 3lws n PHE 30 Ca 0.04 0.00 0.22 0.00 1.01 0.00 0.00 57.45 58.72 3lws n PHE 30 Cb 0.08 -0.18 0.72 0.00 -0.01 0.00 0.00 39.48 40.10 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 3.09 2.40 0.00 4.37 0.00 -0.89 -1.35 119.26 126.87 3lws h ALA 31 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3lws h ALA 31 Cb 0.51 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3lws h ALA 31 CO 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 179.25 178.51 3lws n ALA 32 N -2.53 2.19 -2.71 0.00 0.00 -1.26 -5.03 120.51 111.17 3lws n ALA 32 Ca 0.10 -2.23 -0.37 0.00 0.00 0.00 0.00 53.44 50.94 3lws n ALA 32 Cb 0.67 -0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.38 5.28 0.24 0.00 1.01 -0.51 -5.05 120.40 118.98 3lws s VAL 33 Ca 0.24 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 3lws s VAL 33 Cb 0.21 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 3lws s VAL 33 CO 0.02 0.35 1.41 0.00 0.00 0.00 0.00 175.10 176.88 3lws s ALA 34 N 0.74 3.61 0.30 5.51 0.00 -1.26 -4.90 121.76 125.76 3lws s ALA 34 Ca 0.17 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.44 3lws s ALA 34 Cb -0.13 -3.54 0.66 0.00 0.00 0.00 0.00 23.12 20.10 3lws s ALA 34 CO 0.05 -0.70 1.81 -0.44 0.00 0.00 0.00 175.76 176.48 3lws h ASP 35 N 5.13 0.85 -1.90 0.00 3.32 -1.96 -3.47 116.42 118.38 3lws h ASP 35 Ca -0.46 0.07 -0.50 0.00 0.02 0.00 0.00 57.03 56.17 3lws h ASP 35 Cb 1.22 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.62 3lws h ASP 35 CO 0.78 0.38 1.20 -1.61 -1.72 0.00 0.00 179.24 178.26 3lws s GLU 36 N -5.89 2.89 0.02 3.56 8.01 -1.26 -5.05 118.70 120.97 3lws s GLU 36 Ca -0.11 0.07 0.07 0.00 0.01 0.00 0.00 54.97 55.00 3lws s GLU 36 Cb 0.24 -4.47 -0.02 0.00 -4.31 0.00 0.00 34.13 25.57 3lws s GLU 36 CO 0.81 -2.56 -0.20 0.00 0.01 0.00 0.00 175.26 173.32 3lws s ALA 38 N 7.68 1.67 0.60 5.21 0.00 -1.26 -5.24 121.76 130.43 3lws s ALA 38 Ca 0.54 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 51.37 3lws s ALA 38 Cb -0.09 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 3lws s ALA 38 CO 0.14 0.39 1.19 0.45 0.00 0.00 0.00 175.76 177.92 3lws s SER 39 N -0.86 5.17 1.02 0.00 0.15 -1.26 -4.65 113.70 113.28 3lws s SER 39 Ca 0.07 2.32 -0.12 0.00 0.70 0.00 0.00 55.95 58.93 3lws s SER 39 Cb -0.08 -2.59 0.20 0.00 -1.71 0.00 0.00 66.02 61.84 3lws s SER 39 CO 0.01 -1.60 1.08 1.51 1.20 0.00 0.00 173.24 175.44 3lws s ASP 40 N -1.74 2.14 -0.19 5.45 -4.77 -1.20 -4.29 116.67 112.08 3lws s ASP 40 Ca 0.76 1.76 -0.05 0.00 -3.30 0.00 0.00 52.55 51.72 3lws s ASP 40 Cb -0.29 -2.38 0.07 0.00 -1.09 0.00 0.00 42.92 39.24 3lws s ASP 40 CO 0.34 -3.51 0.13 -1.58 0.70 0.00 0.00 175.17 171.24 3lws s GLN 41 N -4.62 0.11 -1.36 2.11 0.74 0.20 -4.53 119.66 112.31 3lws s GLN 41 Ca 0.67 -0.03 -0.13 0.00 0.05 0.00 0.00 55.36 55.91 3lws s GLN 41 Cb -0.23 -1.61 0.01 0.00 1.10 0.00 0.00 33.01 32.29 3lws s GLN 41 CO 0.61 -0.69 0.40 0.66 -0.55 0.00 0.00 175.29 175.72 3lws n TYR 42 N 5.29 -1.47 0.00 1.67 4.01 -0.63 -1.86 117.16 124.18 3lws n TYR 42 Ca -0.06 0.45 0.00 0.00 -0.16 0.00 0.00 57.90 58.13 3lws n TYR 42 Cb 0.49 -3.08 0.00 0.00 -0.31 0.00 0.00 39.34 36.43 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 -2.19 1.97 3.38 2.72 0.00 -1.26 -5.01 105.19 104.81 3lws n GLY 43 Ca -0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 3lws n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lws s THR 44 N -2.33 0.71 0.00 2.61 -4.23 -0.77 -4.78 115.64 106.84 3lws s THR 44 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3lws s THR 44 Cb 0.00 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.21 3lws s THR 44 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3lws n GLY 45 N -0.61 -0.53 3.73 3.99 0.00 -1.26 -0.63 105.19 109.89 3lws n GLY 45 Ca -0.01 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.80 1.95 0.00 4.61 0.00 -1.26 -2.70 121.76 122.56 3lws s ALA 46 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3lws s ALA 46 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3lws s ALA 46 CO 0.00 -2.14 0.00 -0.89 0.00 0.00 0.00 175.76 172.73 3lws n ILE 47 N -3.63 0.00 -0.04 0.00 5.41 -1.26 -3.27 119.36 116.57 3lws n ILE 47 Ca 0.11 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.74 3lws n ILE 47 Cb 0.52 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.39 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 1.25 0.33 1.39 2.10 -1.89 -2.54 117.51 118.15 3lws h ILE 48 Ca 0.00 -0.82 -0.02 0.00 1.08 0.00 0.00 64.86 65.10 3lws h ILE 48 Cb 0.00 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.29 3lws h ILE 48 CO 0.00 0.24 -0.16 -0.33 -1.08 0.00 0.00 178.15 176.82 3lws h GLU 49 N -0.04 -0.42 -0.95 2.19 5.08 -1.72 0.21 114.58 118.93 3lws h GLU 49 Ca 0.04 0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.66 3lws h GLU 49 Cb 0.37 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 29.59 3lws h GLU 49 CO 0.01 -0.15 0.49 -1.35 -1.00 0.00 0.00 179.01 177.01 3lws h PRO 50 N -0.66 0.48 -0.34 2.33 0.11 -1.80 -0.26 132.00 131.86 3lws h PRO 50 Ca -0.04 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.87 3lws h PRO 50 Cb 0.47 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 3lws h PRO 50 CO 0.07 0.32 -0.45 0.35 -0.21 0.00 0.00 178.00 178.08 3lws h PHE 51 N 0.49 1.11 -0.66 0.65 3.04 -0.97 -0.10 116.94 120.50 3lws h PHE 51 Ca 0.60 -0.36 -0.05 0.00 3.98 0.00 0.00 57.97 62.13 3lws h PHE 51 Cb 1.14 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 39.40 3lws h PHE 51 CO -0.07 1.19 0.20 0.93 -2.02 0.00 0.00 178.31 178.54 3lws h GLU 52 N 0.70 1.03 -0.19 1.11 5.08 -0.17 -1.87 114.58 120.27 3lws h GLU 52 Ca 0.04 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3lws h GLU 52 Cb 1.06 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3lws h GLU 52 CO 0.11 0.90 0.07 1.96 -1.00 0.00 0.00 179.01 181.05 3lws h GLN 53 N 0.96 0.28 -0.46 2.33 4.20 -0.85 -0.97 115.11 120.61 3lws h GLN 53 Ca 0.21 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.96 3lws h GLN 53 Cb 0.31 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 27.95 3lws h GLN 53 CO -0.01 0.37 -0.19 -0.22 -0.67 0.00 0.00 178.83 178.11 3lws h LYS 54 N 0.14 -0.09 0.00 1.46 3.64 -0.78 -2.02 116.57 118.92 3lws h LYS 54 Ca 0.06 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 3lws h LYS 54 Cb 0.19 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3lws h LYS 54 CO -0.00 -0.06 -0.79 0.74 -2.27 0.00 0.00 179.45 177.07 3lws h PHE 55 N -0.09 0.00 -0.37 1.91 0.04 -1.13 0.14 116.94 117.43 3lws h PHE 55 Ca 0.22 0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.05 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 -0.45 0.79 0.00 0.00 -0.60 0.00 0.00 178.31 178.04 3lws h ALA 56 N 1.21 0.34 -0.19 2.45 0.00 -0.87 0.04 119.26 122.24 3lws h ALA 56 Ca -0.01 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3lws h ALA 56 Cb 1.43 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3lws h ALA 56 CO 0.10 -0.40 -0.03 -0.44 0.00 0.00 0.00 179.25 178.49 3lws h ASP 57 N 0.10 0.36 -0.93 0.00 5.19 -1.05 0.16 116.42 120.26 3lws h ASP 57 Ca 0.18 -0.35 0.15 0.00 -0.62 0.00 0.00 57.03 56.40 3lws h ASP 57 Cb 0.25 -0.10 -0.08 0.00 0.18 0.00 0.00 39.33 39.58 3lws h ASP 57 CO -0.30 0.62 0.59 0.58 -3.12 0.00 0.00 179.24 177.61 3lws h VAL 58 N 0.09 0.82 -0.01 -1.35 2.07 -0.74 -2.15 116.25 114.98 3lws h VAL 58 Ca 0.05 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3lws h VAL 58 Cb 0.45 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3lws h VAL 58 CO 0.02 0.13 -0.39 0.18 0.02 0.00 0.00 177.57 177.52 3lws n LEU 59 N -4.60 1.38 -2.60 2.57 4.77 -0.02 -3.05 117.00 115.46 3lws n LEU 59 Ca 0.19 -0.45 -0.06 0.00 -0.03 0.00 0.00 56.01 55.66 3lws n LEU 59 Cb 0.49 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 3lws n LEU 59 CO 0.28 0.26 0.06 0.61 -1.33 0.00 0.00 177.39 177.27 3lws n GLY 60 N 1.39 -1.19 0.14 -0.72 0.00 0.55 -4.51 105.19 100.85 3lws n GLY 60 Ca 0.10 0.96 -0.22 0.00 0.00 0.00 0.00 46.02 46.86 3lws n GLY 60 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3lws h ASP 62 N 1.53 0.56 -5.14 1.61 3.32 -1.84 -3.47 116.42 112.98 3lws h ASP 62 Ca 0.00 -0.93 0.12 0.00 0.02 0.00 0.00 57.03 56.24 3lws h ASP 62 Cb 0.82 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.11 3lws h ASP 62 CO 0.17 1.81 0.38 -0.62 -1.72 0.00 0.00 179.24 179.25 3lws s ASP 63 N -7.22 -0.24 -0.06 6.45 2.15 -0.97 -4.85 116.67 111.93 3lws s ASP 63 Ca -0.18 -0.43 -0.27 0.00 0.43 0.00 0.00 52.55 52.10 3lws s ASP 63 Cb 0.06 0.58 0.06 0.00 -0.30 0.00 0.00 42.92 43.32 3lws s ASP 63 CO 0.83 -1.05 0.61 0.00 -0.17 0.00 0.00 175.17 175.38 3lws s ALA 64 N -3.53 -1.57 -0.11 3.66 0.00 -1.26 -2.08 121.76 116.86 3lws s ALA 64 Ca 0.11 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.27 3lws s ALA 64 Cb -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.03 3lws s ALA 64 CO 0.02 -0.34 -0.19 0.08 0.00 0.00 0.00 175.76 175.33 3lws s VAL 65 N -1.09 1.75 -0.22 0.00 1.01 0.13 -4.75 120.40 117.22 3lws s VAL 65 Ca -0.11 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 3lws s VAL 65 Cb -0.01 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3lws s VAL 65 CO 0.08 0.49 1.25 0.12 0.00 0.00 0.00 175.10 177.05 3lws s PHE 66 N 0.74 2.84 0.05 5.22 5.36 -1.26 -0.87 117.98 130.06 3lws s PHE 66 Ca -0.11 1.00 0.03 0.00 -0.96 0.00 0.00 56.93 56.89 3lws s PHE 66 Cb -0.16 -3.64 -0.04 0.00 -0.34 0.00 0.00 43.02 38.85 3lws s PHE 66 CO 0.02 -1.58 0.04 -0.06 -1.46 0.00 0.00 175.22 172.18 3lws s PHE 67 N 3.80 3.13 0.42 10.12 0.40 0.17 -4.97 117.98 131.05 3lws s PHE 67 Ca 0.54 0.07 0.10 0.00 -0.60 0.00 0.00 56.93 57.05 3lws s PHE 67 Cb -0.19 -1.63 0.91 0.00 0.51 0.00 0.00 43.02 42.62 3lws s PHE 67 CO 0.17 0.50 2.01 -1.00 0.70 0.00 0.00 175.22 177.60 3lws h PRO 68 N 3.71 0.28 -3.58 0.24 0.13 -1.83 0.34 132.00 131.29 3lws h PRO 68 Ca -0.48 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.49 3lws h PRO 68 Cb 1.17 -0.05 -0.19 0.00 0.13 0.00 0.00 31.00 32.06 3lws h PRO 68 CO 0.62 0.29 -0.46 -1.54 -0.23 0.00 0.00 178.00 176.68 3lws s SER 69 N -6.87 0.06 0.33 1.44 1.04 -1.26 -2.52 113.70 105.92 3lws s SER 69 Ca -0.06 -0.33 0.13 0.00 0.48 0.00 0.00 55.95 56.17 3lws s SER 69 Cb 0.16 0.24 0.55 0.00 0.10 0.00 0.00 66.02 67.08 3lws s SER 69 CO 0.72 -0.47 1.71 1.23 0.98 0.00 0.00 173.24 177.42 3lws h GLY 70 N 3.84 0.00 -0.11 7.32 0.00 -1.85 -1.02 103.07 111.25 3lws h GLY 70 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 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 -3.86 0.00 0.00 4.70 -1.04 -1.26 -1.31 114.28 111.51 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 0.52 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 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 -0.31 0.00 0.08 2.41 0.00 -0.39 -2.84 120.51 119.46 3lws n ALA 73 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3lws n ALA 73 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.25 -0.60 0.00 4.20 -1.47 -0.90 115.11 116.58 3lws h GLN 74 Ca 0.00 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.37 3lws h GLN 74 Cb 0.00 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3lws h GLN 74 CO 0.00 1.01 0.14 1.96 -0.67 0.00 0.00 178.83 181.28 3lws h GLN 75 N 0.13 0.93 -0.21 1.46 4.20 -1.75 -1.99 115.11 117.87 3lws h GLN 75 Ca -0.06 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 3lws h GLN 75 Cb 1.57 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 3lws h GLN 75 CO 0.15 0.83 -0.10 0.28 -0.67 0.00 0.00 178.83 179.32 3lws h VAL 76 N 0.89 1.30 -0.32 -0.54 2.07 -1.79 -1.93 116.25 115.93 3lws h VAL 76 Ca 0.19 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 66.62 3lws h VAL 76 Cb 0.32 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.62 3lws h VAL 76 CO -0.00 0.35 -0.33 0.00 0.02 0.00 0.00 177.57 177.62 3lws h ALA 77 N 0.71 -0.24 -0.33 1.67 0.00 -0.95 -1.17 119.26 118.95 3lws h ALA 77 Ca 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3lws h ALA 77 Cb 0.59 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3lws h ALA 77 CO 0.03 -0.75 0.18 -0.07 0.00 0.00 0.00 179.25 178.64 3lws h LEU 78 N -0.29 0.41 -0.91 0.00 3.38 -1.35 -2.00 115.31 114.54 3lws h LEU 78 Ca 0.15 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3lws h LEU 78 Cb 0.54 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3lws h LEU 78 CO -0.48 0.37 0.58 -0.09 0.09 0.00 0.00 178.44 178.91 3lws h ARG 79 N 0.41 1.07 -0.04 1.13 9.65 -1.07 0.12 114.38 125.65 3lws h ARG 79 Ca 0.12 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3lws h ARG 79 Cb 0.05 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 28.39 3lws h ARG 79 CO -0.02 0.71 0.01 0.82 2.80 0.00 0.00 179.97 184.29 3lws h ILE 80 N 1.10 1.15 -0.85 1.20 2.04 -0.87 0.37 117.51 121.65 3lws h ILE 80 Ca 0.38 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.83 3lws h ILE 80 Cb 0.08 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 3lws h ILE 80 CO -0.15 0.12 0.54 -0.50 0.00 0.00 0.00 178.15 178.17 3lws h TRP 81 N -0.12 1.02 -0.09 1.37 -0.00 -1.04 0.28 115.95 117.38 3lws h TRP 81 Ca 0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.93 3lws h TRP 81 Cb 0.18 -0.34 -0.00 0.00 -0.00 0.00 0.00 29.16 29.00 3lws h TRP 81 CO -0.01 0.58 0.05 1.03 -0.00 0.00 0.00 178.44 180.08 3lws h SER 82 N 1.05 0.11 -0.31 -3.49 0.87 -0.81 0.56 113.55 111.53 3lws h SER 82 Ca 0.34 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.87 3lws h SER 82 Cb 0.03 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 3lws h SER 82 CO -0.12 0.14 0.09 0.44 -0.53 0.00 0.00 176.83 176.85 3lws h ASP 83 N 0.06 0.09 -0.10 6.23 3.32 -0.68 -1.62 116.42 123.72 3lws h ASP 83 Ca 0.03 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 3lws h ASP 83 Cb 0.06 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3lws h ASP 83 CO -0.01 0.08 -0.22 -0.08 -1.72 0.00 0.00 179.24 177.30 3lws h GLU 84 N 0.22 0.52 -0.01 3.56 4.81 0.22 -2.93 114.58 120.96 3lws h GLU 84 Ca 0.14 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3lws h GLU 84 Cb 0.12 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3lws h GLU 84 CO -0.16 0.70 -0.06 0.25 -0.73 0.00 0.00 179.01 179.02 3lws n THR 85 N -4.14 0.00 -4.07 0.32 -2.24 0.19 -4.91 114.28 99.43 3lws n THR 85 Ca -0.00 -0.19 -0.33 0.00 -2.27 0.00 0.00 64.05 61.26 3lws n THR 85 Cb 0.39 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 -0.19 -4.03 -3.83 3.42 8.00 -0.85 -4.99 116.55 114.08 3lws n ASP 86 Ca 0.18 -0.90 -0.21 0.00 0.71 0.00 0.00 54.79 54.57 3lws n ASP 86 Cb 0.32 -3.32 -0.17 0.00 -0.02 0.00 0.00 41.12 37.93 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 -3.31 1.18 -0.17 -2.24 3.84 -0.67 -5.04 114.94 108.53 3lws s ASN 87 Ca 0.70 -0.10 0.12 0.00 0.21 0.00 0.00 52.86 53.79 3lws s ASN 87 Cb -0.36 -0.42 0.64 0.00 -0.55 0.00 0.00 41.25 40.55 3lws s ASN 87 CO 0.88 -0.12 1.48 0.54 -2.79 0.00 0.00 177.10 177.08 3lws n ARG 88 N 4.57 3.90 -5.20 0.43 5.12 -1.26 -4.37 116.66 119.85 3lws n ARG 88 Ca -0.17 -2.45 -0.31 0.00 -1.93 0.00 0.00 57.85 52.99 3lws n ARG 88 Cb 0.50 -2.04 -0.17 0.00 -1.16 0.00 0.00 32.46 29.60 3lws n ARG 88 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3lws s THR 89 N -2.26 2.00 0.35 0.55 2.01 -1.26 -1.52 115.64 115.50 3lws s THR 89 Ca 0.43 -1.01 0.09 0.00 0.31 0.00 0.00 61.69 61.51 3lws s THR 89 Cb 0.32 -1.71 -0.06 0.00 0.01 0.00 0.00 72.50 71.05 3lws s THR 89 CO 0.14 0.55 -0.03 0.68 -0.69 0.00 0.00 174.62 175.27 3lws s VAL 90 N 0.11 2.40 -0.02 3.82 -7.23 -0.76 0.40 120.40 119.11 3lws s VAL 90 Ca -0.11 -2.07 -0.02 0.00 -1.81 0.00 0.00 61.98 57.96 3lws s VAL 90 Cb -0.16 -2.75 0.01 0.00 0.56 0.00 0.00 36.38 34.04 3lws s VAL 90 CO 0.06 -0.18 0.06 0.00 -0.31 0.00 0.00 175.10 174.73 3lws s ALA 91 N -2.57 -0.16 0.14 1.32 0.00 -0.27 -0.75 121.76 119.47 3lws s ALA 91 Ca 0.34 0.18 -0.25 0.00 0.00 0.00 0.00 51.96 52.23 3lws s ALA 91 Cb 0.02 -0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.11 3lws s ALA 91 CO 0.18 -0.03 1.03 1.52 0.00 0.00 0.00 175.76 178.46 3lws s TYR 92 N 0.02 -0.05 0.63 0.00 -0.85 -0.87 -0.77 117.35 115.46 3lws s TYR 92 Ca -0.00 -0.26 -0.18 0.00 -0.52 0.00 0.00 57.07 56.10 3lws s TYR 92 Cb -0.01 0.65 -0.02 0.00 0.38 0.00 0.00 41.96 42.97 3lws s TYR 92 CO 0.00 -0.79 1.26 -1.58 -1.52 0.00 0.00 175.55 172.92 3lws s HIS 93 N -2.80 2.19 0.59 -3.49 5.65 -1.26 -0.57 115.29 115.60 3lws s HIS 93 Ca 0.16 1.50 0.41 0.00 0.25 0.00 0.00 55.06 57.38 3lws s HIS 93 Cb -0.01 -3.61 2.22 0.00 -1.18 0.00 0.00 32.58 29.99 3lws s HIS 93 CO 0.03 -2.66 2.31 -1.35 -0.65 0.00 0.00 174.74 172.41 3lws h PRO 94 N 0.64 0.00 -0.43 2.88 0.11 -1.87 -2.35 132.00 130.98 3lws h PRO 94 Ca -0.51 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 3lws h PRO 94 Cb 1.32 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.35 3lws h PRO 94 CO 0.54 0.01 0.07 1.28 -0.21 0.00 0.00 178.00 179.68 3lws n LEU 95 N -3.19 4.57 -4.68 2.35 4.77 -1.26 -4.79 117.00 114.78 3lws n LEU 95 Ca -0.03 -3.35 -0.44 0.00 -0.03 0.00 0.00 56.01 52.16 3lws n LEU 95 Cb 0.11 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 3lws n LEU 95 CO 0.22 0.92 1.02 0.00 -1.33 0.00 0.00 177.39 178.23 3lws h HIS 97 N 4.19 0.89 -0.02 0.00 2.76 -1.94 0.18 115.15 121.20 3lws h HIS 97 Ca -0.45 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 57.66 3lws h HIS 97 Cb 1.27 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.99 3lws h HIS 97 CO 0.56 -0.17 -0.42 -0.07 -1.30 0.00 0.00 177.93 176.53 3lws h LEU 98 N 0.32 0.05 -0.20 0.26 4.07 -1.94 0.14 115.31 118.01 3lws h LEU 98 Ca 0.72 -0.02 -0.21 0.00 0.08 0.00 0.00 57.88 58.45 3lws h LEU 98 Cb 1.63 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 43.36 3lws h LEU 98 CO -0.61 0.47 -0.70 -0.08 -1.08 0.00 0.00 178.44 176.44 3lws h GLU 99 N 0.04 0.83 0.00 1.13 4.57 -1.01 -3.41 114.58 116.74 3lws h GLU 99 Ca 0.00 -0.62 0.00 0.00 -1.18 0.00 0.00 59.36 57.56 3lws h GLU 99 Cb 0.77 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3lws h GLU 99 CO 0.06 1.24 -0.35 0.44 -1.18 0.00 0.00 179.01 179.22 3lws n ILE 100 N -3.96 0.00 -0.38 2.32 -5.35 -0.92 -4.67 119.36 106.40 3lws n ILE 100 Ca -0.06 -0.34 0.01 0.00 -0.27 0.00 0.00 62.75 62.09 3lws n ILE 100 Cb 0.71 0.84 0.02 0.00 -1.74 0.00 0.00 39.64 39.47 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 -1.18 0.00 -1.54 4.28 8.25 0.03 -4.73 115.22 120.33 3lws n HIS 101 Ca 0.00 -0.48 0.06 0.00 -0.26 0.00 0.00 57.72 57.04 3lws n HIS 101 Cb 0.01 -0.06 0.10 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.55 0.84 -3.37 -0.41 1.02 -1.23 -5.00 120.64 111.95 3lws n GLU 102 Ca 0.02 -2.17 -0.24 0.00 -0.02 0.00 0.00 57.16 54.76 3lws n GLU 102 Cb 0.36 -1.10 -0.00 0.00 -0.02 0.00 0.00 31.44 30.68 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 -0.81 -3.54 -2.06 3.49 1.13 -1.26 -1.22 117.38 113.11 3lws n GLN 103 Ca 0.11 0.51 -0.18 0.00 -1.94 0.00 0.00 57.00 55.50 3lws n GLN 103 Cb 0.71 -5.23 -0.03 0.00 0.11 0.00 0.00 30.24 25.80 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 -2.33 -5.16 -0.29 1.08 8.00 -1.26 -4.91 116.55 111.68 3lws n ASP 104 Ca -0.02 0.14 0.11 0.00 0.71 0.00 0.00 54.79 55.72 3lws n ASP 104 Cb 0.55 -4.23 0.27 0.00 -0.02 0.00 0.00 41.12 37.69 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 1.41 0.98 0.44 0.00 -1.43 -0.82 103.07 103.65 3lws h GLY 105 Ca -0.40 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3lws h GLY 105 CO 0.51 -0.21 0.11 -2.00 0.00 0.00 0.00 176.54 174.95 3lws h LEU 106 N 0.42 0.18 -0.85 3.11 5.85 -1.85 0.90 115.31 123.07 3lws h LEU 106 Ca 0.51 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 59.13 3lws h LEU 106 Cb 0.92 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 3lws h LEU 106 CO -0.49 0.14 -0.50 0.11 -0.34 0.00 0.00 178.44 177.35 3lws h LYS 107 N 0.23 0.00 0.00 1.25 1.57 -1.43 -2.26 116.57 115.93 3lws h LYS 107 Ca 0.07 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.62 3lws h LYS 107 Cb -0.01 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 3lws h LYS 107 CO -0.03 0.50 -1.34 0.93 -0.57 0.00 0.00 179.45 178.94 3lws h GLU 108 N 0.00 0.00 0.00 3.15 4.39 -0.91 -3.35 114.58 117.86 3lws h GLU 108 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3lws h GLU 108 Cb 1.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3lws h GLU 108 CO 0.07 0.62 -1.08 1.28 -1.16 0.00 0.00 179.01 178.74 3lws n LEU 109 N -3.13 0.77 -3.97 1.33 4.77 0.29 -4.97 117.00 112.08 3lws n LEU 109 Ca -0.09 -0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 55.48 3lws n LEU 109 Cb 0.96 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.90 3lws n LEU 109 CO 0.45 0.18 -0.34 -1.00 -1.33 0.00 0.00 177.39 175.34 3lws s HIS 110 N -3.09 0.25 -0.13 -1.77 3.76 -0.85 -5.05 115.29 108.41 3lws s HIS 110 Ca 0.06 -0.51 -0.05 0.00 -0.15 0.00 0.00 55.06 54.41 3lws s HIS 110 Cb 0.16 -0.18 -0.22 0.00 1.11 0.00 0.00 32.58 33.45 3lws s HIS 110 CO 0.85 -0.20 3.14 -0.35 -0.85 0.00 0.00 174.74 177.32 3lws n PRO 111 N 1.56 1.85 -5.03 8.40 -0.04 -1.26 -4.47 135.00 136.01 3lws n PRO 111 Ca -0.24 -0.96 -0.32 0.00 -0.04 0.00 0.00 63.50 61.94 3lws n PRO 111 Cb 0.55 -2.00 -0.14 0.00 -0.04 0.00 0.00 33.50 31.87 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 1.40 2.68 0.13 0.52 1.01 -1.26 -4.88 121.20 120.80 3lws s ILE 112 Ca 0.58 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 60.42 3lws s ILE 112 Cb 0.26 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3lws s ILE 112 CO -0.00 0.58 0.06 -1.61 0.00 0.00 0.00 174.94 173.96 3lws s GLU 113 N -0.48 2.70 0.05 2.79 2.02 -0.58 -4.58 118.70 120.63 3lws s GLU 113 Ca 0.06 -0.86 0.08 0.00 0.02 0.00 0.00 54.97 54.26 3lws s GLU 113 Cb -0.12 -2.58 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 3lws s GLU 113 CO 0.01 0.51 -0.22 0.95 0.02 0.00 0.00 175.26 176.54 3lws s THR 114 N -1.54 1.75 -0.20 3.63 -4.23 -1.26 -1.84 115.64 111.96 3lws s THR 114 Ca 0.28 -1.25 -0.04 0.00 -1.18 0.00 0.00 61.69 59.51 3lws s THR 114 Cb -0.11 -1.52 -0.02 0.00 1.34 0.00 0.00 72.50 72.20 3lws s THR 114 CO 0.21 0.22 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.84 3lws s ILE 115 N -0.82 3.59 -0.17 2.99 1.01 0.07 -4.95 121.20 122.93 3lws s ILE 115 Ca 0.08 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 60.05 3lws s ILE 115 Cb -0.09 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 3lws s ILE 115 CO 0.02 0.44 0.79 -0.76 0.00 0.00 0.00 174.94 175.43 3lws s LEU 116 N 1.05 4.18 -0.22 2.97 1.43 -1.26 -2.04 118.68 124.80 3lws s LEU 116 Ca 0.01 1.12 -0.06 0.00 -1.03 0.00 0.00 54.13 54.17 3lws s LEU 116 Cb -0.15 -3.16 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 3lws s LEU 116 CO 0.00 -0.35 0.02 -0.69 0.23 0.00 0.00 176.35 175.56 3lws s VAL 117 N 2.00 4.06 0.00 -1.59 1.01 0.27 -4.87 120.40 121.28 3lws s VAL 117 Ca 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3lws s VAL 117 Cb -0.17 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3lws s VAL 117 CO 0.13 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3lws n GLY 118 N 4.50 -0.80 3.59 4.51 0.00 -1.26 -4.30 105.19 111.43 3lws n GLY 118 Ca -0.17 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.57 2.99 0.54 4.61 0.00 -1.26 -4.91 121.76 122.16 3lws s ALA 119 Ca 0.00 -1.11 0.26 0.00 0.00 0.00 0.00 51.96 51.11 3lws s ALA 119 Cb 0.00 -1.04 1.41 0.00 0.00 0.00 0.00 23.12 23.49 3lws s ALA 119 CO 0.00 0.63 2.00 0.00 0.00 0.00 0.00 175.76 178.38 3lws h ALA 120 N 4.16 2.46 -0.04 0.00 0.00 -1.96 -2.50 119.26 121.38 3lws h ALA 120 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3lws h ALA 120 Cb 1.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3lws h ALA 120 CO 0.53 -0.65 0.00 -0.40 0.00 0.00 0.00 179.25 178.74 3lws n ASP 121 N -4.33 1.80 -3.45 0.00 5.75 -1.26 -4.83 116.55 110.23 3lws n ASP 121 Ca 0.09 -1.61 -0.13 0.00 -0.01 0.00 0.00 54.79 53.14 3lws n ASP 121 Cb 0.60 -0.01 -0.04 0.00 -1.03 0.00 0.00 41.12 40.64 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 -1.97 1.82 0.00 0.11 1.70 -0.94 -4.98 118.95 114.68 3lws s ARG 122 Ca 0.36 -1.59 0.00 0.00 -0.47 0.00 0.00 55.73 54.03 3lws s ARG 122 Cb 0.21 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 35.04 3lws s ARG 122 CO 0.32 -0.76 0.00 1.28 -1.08 0.00 0.00 175.30 175.06 3lws n LEU 123 N -0.50 0.00 -4.08 -1.89 4.77 -1.26 -4.51 117.00 109.53 3lws n LEU 123 Ca -0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 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 0.28 0.00 -0.23 0.42 -1.33 0.00 0.00 177.39 176.53 3lws s THR 125 N 0.00 0.11 0.24 -5.08 -4.23 -1.26 -4.74 115.64 100.68 3lws s THR 125 Ca 0.00 -1.73 -0.02 0.00 -1.18 0.00 0.00 61.69 58.76 3lws s THR 125 Cb 0.00 -1.88 0.06 0.00 1.34 0.00 0.00 72.50 72.02 3lws s THR 125 CO 0.00 -0.51 1.68 0.25 -0.54 0.00 0.00 174.62 175.50 3lws h LEU 126 N 2.82 0.70 -1.01 4.79 5.85 -1.99 -0.83 115.31 125.64 3lws h LEU 126 Ca -0.34 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.16 3lws h LEU 126 Cb 1.20 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 3lws h LEU 126 CO 0.57 0.89 0.66 0.44 -0.34 0.00 0.00 178.44 180.66 3lws h ASP 127 N 0.62 1.16 -0.28 1.25 3.32 -2.04 0.27 116.42 120.71 3lws h ASP 127 Ca 0.09 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3lws h ASP 127 Cb 0.67 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3lws h ASP 127 CO 0.05 0.84 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.96 3lws h GLU 128 N 1.36 0.70 -0.04 3.56 5.08 -1.77 -1.29 114.58 122.18 3lws h GLU 128 Ca 0.37 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3lws h GLU 128 Cb -0.15 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 3lws h GLU 128 CO -0.08 0.80 0.01 0.82 -1.00 0.00 0.00 179.01 179.56 3lws h ILE 129 N 0.63 1.17 -0.33 3.13 2.04 -0.79 -3.14 117.51 120.23 3lws h ILE 129 Ca 0.11 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.51 3lws h ILE 129 Cb 0.57 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 3lws h ILE 129 CO 0.04 0.14 0.23 0.11 0.00 0.00 0.00 178.15 178.66 3lws h LYS 130 N -0.15 0.18 -0.01 2.37 1.57 -0.82 -1.11 116.57 118.60 3lws h LYS 130 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3lws h LYS 130 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3lws h LYS 130 CO -0.00 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 179.00 3lws n ALA 131 N -2.55 2.58 -2.39 3.86 0.00 -0.50 -4.85 120.51 116.67 3lws n ALA 131 Ca 0.04 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 3lws n ALA 131 Cb 0.27 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.46 4.37 1.25 0.00 1.43 -0.42 -5.04 118.68 118.80 3lws s LEU 132 Ca 0.22 2.06 -0.16 0.00 -1.03 0.00 0.00 54.13 55.22 3lws s LEU 132 Cb 0.10 -3.58 0.29 0.00 0.03 0.00 0.00 46.19 43.04 3lws s LEU 132 CO 0.17 -0.49 0.83 -0.81 0.23 0.00 0.00 176.35 176.28 3lws n PRO 133 N 3.93 -3.00 -1.86 1.29 -0.04 -1.26 -4.87 135.00 129.18 3lws n PRO 133 Ca 0.09 -0.86 -0.42 0.00 -0.04 0.00 0.00 63.50 62.27 3lws n PRO 133 Cb 0.46 -2.03 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.43 6.57 0.29 3.54 1.01 -1.26 -4.97 116.67 119.41 3lws s ASP 134 Ca 0.66 2.46 0.04 0.00 0.71 0.00 0.00 52.55 56.42 3lws s ASP 134 Cb -0.21 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.12 3lws s ASP 134 CO 0.63 -0.97 0.02 0.27 0.21 0.00 0.00 175.17 175.34 3lws s ILE 135 N 3.86 1.21 0.06 0.77 -4.36 -1.26 -4.88 121.20 116.61 3lws s ILE 135 Ca 0.79 -2.03 -0.09 0.00 -0.26 0.00 0.00 60.65 59.06 3lws s ILE 135 Cb -0.38 -2.62 -0.31 0.00 1.25 0.00 0.00 42.46 40.40 3lws s ILE 135 CO 0.35 -0.13 1.10 0.00 0.24 0.00 0.00 174.94 176.49 3lws h ALA 136 N 2.24 0.01 -2.05 2.27 0.00 -0.25 -3.43 119.26 118.04 3lws h ALA 136 Ca -0.40 -0.86 -0.05 0.00 0.00 0.00 0.00 54.91 53.61 3lws h ALA 136 Cb 1.24 0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.89 3lws h ALA 136 CO 0.68 0.84 0.11 0.00 0.00 0.00 0.00 179.25 180.88 3lws s LEU 138 N 0.36 3.13 -0.19 0.00 2.96 0.23 -1.12 118.68 124.05 3lws s LEU 138 Ca -0.00 -0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 3lws s LEU 138 Cb -0.05 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 3lws s LEU 138 CO 0.01 0.19 0.02 -0.22 -1.32 0.00 0.00 176.35 175.03 3lws s LEU 139 N 0.21 3.45 0.06 -0.68 0.20 0.05 -1.09 118.68 120.88 3lws s LEU 139 Ca -0.04 -0.10 0.05 0.00 0.69 0.00 0.00 54.13 54.73 3lws s LEU 139 Cb -0.14 -1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 43.71 3lws s LEU 139 CO 0.03 0.11 -0.04 -0.76 -0.29 0.00 0.00 176.35 175.40 3lws s LEU 140 N 0.76 3.29 -0.25 -0.68 1.43 -0.60 -4.37 118.68 118.26 3lws s LEU 140 Ca 0.01 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3lws s LEU 140 Cb -0.14 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 44.14 3lws s LEU 140 CO 0.02 0.22 -0.12 -0.70 0.23 0.00 0.00 176.35 176.00 3lws s GLU 141 N -1.96 2.42 -0.33 1.70 2.12 -1.26 0.18 118.70 121.56 3lws s GLU 141 Ca 0.22 -1.23 -0.09 0.00 0.36 0.00 0.00 54.97 54.23 3lws s GLU 141 Cb -0.11 -2.84 0.01 0.00 0.26 0.00 0.00 34.13 31.45 3lws s GLU 141 CO 0.13 -0.50 0.14 -0.51 -0.54 0.00 0.00 175.26 173.99 3lws s LEU 142 N 1.15 4.26 0.76 2.70 1.43 -1.03 -2.57 118.68 125.39 3lws s LEU 142 Ca -0.06 -0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 52.15 3lws s LEU 142 Cb -0.18 -1.96 0.10 0.00 0.03 0.00 0.00 46.19 44.17 3lws s LEU 142 CO -0.06 -0.27 1.08 -2.16 0.23 0.00 0.00 176.35 175.17 3lws s PRO 143 N 1.53 1.82 -0.73 1.29 0.04 -1.26 -4.05 135.00 133.64 3lws s PRO 143 Ca 0.02 -0.37 -0.26 0.00 0.04 0.00 0.00 61.00 60.44 3lws s PRO 143 Cb -0.18 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 3lws s PRO 143 CO 0.05 -1.52 1.72 -1.14 0.04 0.00 0.00 177.00 176.15 3lws s GLN 144 N -5.38 2.82 0.16 4.56 2.00 -0.01 -4.83 119.66 118.98 3lws s GLN 144 Ca 0.64 0.09 -0.11 0.00 -2.00 0.00 0.00 55.36 53.98 3lws s GLN 144 Cb -0.09 -4.56 0.04 0.00 0.80 0.00 0.00 33.01 29.20 3lws s GLN 144 CO 0.47 -2.69 1.63 -0.09 -0.50 0.00 0.00 175.29 174.11 3lws h ARG 145 N 12.71 0.94 0.00 1.67 1.12 -1.86 -0.33 114.38 128.62 3lws h ARG 145 Ca -0.15 -0.28 0.00 0.00 -1.11 0.00 0.00 59.98 58.44 3lws h ARG 145 Cb 1.09 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.96 3lws h ARG 145 CO 1.25 0.93 0.00 0.93 -3.11 0.00 0.00 179.97 179.96 3lws h GLU 146 N 0.82 0.00 -0.54 0.20 4.39 -1.88 -0.38 114.58 117.19 3lws h GLU 146 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3lws h GLU 146 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3lws h GLU 146 CO 0.02 0.00 0.00 0.44 -1.16 0.00 0.00 179.01 178.31 3lws n ILE 147 N -2.89 1.80 0.00 3.13 -5.35 -1.20 -4.97 119.36 109.89 3lws n ILE 147 Ca 0.00 -1.29 0.00 0.00 -0.27 0.00 0.00 62.75 61.20 3lws n ILE 147 Cb 0.25 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.27 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 0.75 0.80 0.42 3.28 0.00 -0.15 -4.65 105.19 105.65 3lws n GLY 148 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.87 0.81 3.49 -0.02 0.00 -0.14 -3.58 105.19 104.89 3lws n GLY 149 Ca 0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.14 3.09 0.01 1.61 -7.23 -1.17 -4.40 120.40 110.17 3lws s VAL 150 Ca 0.00 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 3lws s VAL 150 Cb 0.00 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.66 3lws s VAL 150 CO 0.00 0.48 -0.03 0.00 -0.31 0.00 0.00 175.10 175.24 3lws s ALA 151 N -0.84 0.15 0.78 1.32 0.00 -1.26 -0.83 121.76 121.08 3lws s ALA 151 Ca 0.14 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 3lws s ALA 151 Cb -0.11 0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.14 3lws s ALA 151 CO 0.03 -0.06 1.11 -1.25 0.00 0.00 0.00 175.76 175.60 3lws s PRO 152 N -0.80 2.08 0.71 0.00 0.04 -1.26 -5.01 135.00 130.76 3lws s PRO 152 Ca -0.08 1.32 -0.14 0.00 0.04 0.00 0.00 61.00 62.14 3lws s PRO 152 Cb -0.05 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.64 3lws s PRO 152 CO -0.00 -1.80 1.14 0.00 0.04 0.00 0.00 177.00 176.38 3lws s ALA 153 N -2.71 2.28 0.28 8.56 0.00 -1.26 -4.84 121.76 124.07 3lws s ALA 153 Ca 0.64 0.62 0.01 0.00 0.00 0.00 0.00 51.96 53.23 3lws s ALA 153 Cb -0.20 -3.37 0.55 0.00 0.00 0.00 0.00 23.12 20.11 3lws s ALA 153 CO 0.54 -1.59 1.83 0.35 0.00 0.00 0.00 175.76 176.88 3lws h PHE 154 N -0.30 1.11 -0.67 0.00 3.57 -1.95 -1.43 116.94 117.27 3lws h PHE 154 Ca -0.46 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 3lws h PHE 154 Cb 1.26 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 3lws h PHE 154 CO 0.52 0.42 0.41 0.66 -2.23 0.00 0.00 178.31 178.10 3lws h SER 155 N 0.96 0.79 -0.30 0.41 4.64 -2.00 -1.04 113.55 117.01 3lws h SER 155 Ca 0.49 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.66 3lws h SER 155 Cb 0.51 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3lws h SER 155 CO -0.27 0.60 -0.23 -0.33 -0.87 0.00 0.00 176.83 175.73 3lws h GLU 156 N 0.92 0.79 -0.45 4.77 5.08 -1.65 -2.20 114.58 121.83 3lws h GLU 156 Ca 0.24 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3lws h GLU 156 Cb -0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3lws h GLU 156 CO -0.05 0.94 0.17 -0.07 -1.00 0.00 0.00 179.01 179.00 3lws h LEU 157 N 0.69 0.59 -0.22 1.33 3.38 -0.48 -0.88 115.31 119.72 3lws h LEU 157 Ca 0.09 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 3lws h LEU 157 Cb 0.75 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.35 3lws h LEU 157 CO 0.06 0.55 -0.71 -0.33 0.09 0.00 0.00 178.44 178.10 3lws h GLU 158 N 0.64 0.80 -0.65 1.13 5.08 -1.09 0.49 114.58 120.98 3lws h GLU 158 Ca 0.16 -0.60 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 3lws h GLU 158 Cb 0.16 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3lws h GLU 158 CO -0.01 1.22 0.12 1.15 -1.00 0.00 0.00 179.01 180.49 3lws h THR 159 N 0.57 1.26 -0.67 1.13 2.02 -1.27 -0.14 112.91 115.81 3lws h THR 159 Ca -0.03 -1.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.08 3lws h THR 159 Cb 1.33 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 3lws h THR 159 CO 0.15 0.38 0.15 0.40 0.37 0.00 0.00 175.52 176.97 3lws h ILE 160 N 0.98 1.26 -0.41 3.11 2.04 -1.01 -1.64 117.51 121.85 3lws h ILE 160 Ca 0.20 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 3lws h ILE 160 Cb 0.42 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3lws h ILE 160 CO 0.01 0.37 0.12 -1.28 0.00 0.00 0.00 178.15 177.37 3lws h SER 161 N 1.01 0.60 -0.43 1.72 0.87 -0.55 -1.61 113.55 115.16 3lws h SER 161 Ca 0.21 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3lws h SER 161 Cb 0.38 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 3lws h SER 161 CO 0.00 0.66 0.05 -0.09 -0.53 0.00 0.00 176.83 176.93 3lws h ARG 162 N 0.52 0.73 0.68 2.24 2.43 -0.94 -1.35 114.38 118.69 3lws h ARG 162 Ca 0.13 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3lws h ARG 162 Cb 0.28 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3lws h ARG 162 CO -0.00 0.77 -0.33 -0.92 -1.51 0.00 0.00 179.97 177.98 3lws h TYR 163 N 0.59 -0.85 -0.65 2.20 3.20 -1.20 -0.13 116.97 120.13 3lws h TYR 163 Ca 0.13 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.10 3lws h TYR 163 Cb 0.41 0.28 -0.09 0.00 1.54 0.00 0.00 36.73 38.87 3lws h TYR 163 CO 0.03 -0.52 0.19 0.00 -1.64 0.00 0.00 178.16 176.22 3lws h ARG 165 N 0.33 1.14 0.00 0.00 2.43 -1.01 0.28 114.38 117.55 3lws h ARG 165 Ca 0.35 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3lws h ARG 165 Cb 0.51 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3lws h ARG 165 CO -0.39 0.76 0.00 -1.91 -1.51 0.00 0.00 179.97 176.91 3lws n GLU 166 N -4.49 0.25 0.00 0.20 4.07 -0.08 -2.68 120.64 117.91 3lws n GLU 166 Ca 0.12 0.31 0.09 0.00 -0.06 0.00 0.00 57.16 57.61 3lws n GLU 166 Cb 0.07 -1.85 0.07 0.00 -0.06 0.00 0.00 31.44 29.68 3lws n GLU 166 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3lws n ARG 167 N -2.30 1.52 -1.75 5.31 1.74 -0.50 -4.99 116.66 115.69 3lws n ARG 167 Ca 0.04 -1.56 -0.13 0.00 -0.77 0.00 0.00 57.85 55.43 3lws n ARG 167 Cb 0.36 -1.35 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 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 1.03 0.73 3.67 -0.13 0.00 -0.16 -5.01 105.19 105.32 3lws n GLY 168 Ca 0.10 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.57 5.17 0.18 -0.61 1.01 -0.09 -4.98 121.20 119.31 3lws s ILE 169 Ca 0.00 0.80 -0.30 0.00 0.00 0.00 0.00 60.65 61.15 3lws s ILE 169 Cb 0.00 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.62 3lws s ILE 169 CO 0.00 0.23 1.13 -0.13 0.00 0.00 0.00 174.94 176.17 3lws s ARG 170 N 1.38 4.56 -0.30 2.79 1.81 -0.91 -4.14 118.95 124.13 3lws s ARG 170 Ca 0.21 1.76 -0.07 0.00 -1.72 0.00 0.00 55.73 55.91 3lws s ARG 170 Cb -0.15 -3.27 0.01 0.00 -0.45 0.00 0.00 34.95 31.09 3lws s ARG 170 CO 0.09 0.03 0.09 -1.17 -0.68 0.00 0.00 175.30 173.65 3lws s LEU 171 N -0.32 3.91 -0.13 2.53 2.96 -1.26 -0.60 118.68 125.77 3lws s LEU 171 Ca 0.50 -0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3lws s LEU 171 Cb -0.30 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 3lws s LEU 171 CO 0.35 -0.20 -0.03 -2.28 -1.32 0.00 0.00 176.35 172.87 3lws s HIS 172 N 1.51 3.04 -0.32 5.38 5.65 -0.25 0.45 115.29 130.75 3lws s HIS 172 Ca 0.03 -0.15 -0.16 0.00 0.25 0.00 0.00 55.06 55.02 3lws s HIS 172 Cb -0.17 -1.89 -0.02 0.00 -1.18 0.00 0.00 32.58 29.32 3lws s HIS 172 CO 0.03 0.12 0.43 -1.17 -0.65 0.00 0.00 174.74 173.50 3lws s LEU 173 N -0.05 4.25 -0.88 8.88 2.96 -0.60 -1.56 118.68 131.69 3lws s LEU 173 Ca 0.02 0.06 -0.25 0.00 -0.22 0.00 0.00 54.13 53.74 3lws s LEU 173 Cb -0.13 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.11 3lws s LEU 173 CO 0.02 -0.33 1.52 -0.62 -1.32 0.00 0.00 176.35 175.62 3lws s ASP 174 N 1.70 6.05 -0.54 3.68 -1.08 0.13 -1.01 116.67 125.60 3lws s ASP 174 Ca 0.16 -0.85 0.01 0.00 -0.52 0.00 0.00 52.55 51.35 3lws s ASP 174 Cb -0.16 -2.56 0.46 0.00 -1.46 0.00 0.00 42.92 39.20 3lws s ASP 174 CO 0.11 -1.90 1.77 0.61 0.52 0.00 0.00 175.17 176.29 3lws n GLY 175 N 6.32 6.01 0.42 2.66 0.00 0.33 -2.47 105.19 118.46 3lws n GLY 175 Ca 0.24 -2.39 0.25 0.00 0.00 0.00 0.00 46.02 44.13 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 2.02 2.36 -0.48 4.61 0.00 -1.84 -1.92 119.26 124.01 3lws h ALA 176 Ca 0.53 0.06 -0.35 0.00 0.00 0.00 0.00 54.91 55.15 3lws h ALA 176 Cb 1.08 0.05 -0.30 0.00 0.00 0.00 0.00 17.79 18.62 3lws h ALA 176 CO 1.31 -0.78 -0.76 0.54 0.00 0.00 0.00 179.25 179.56 3lws n ARG 177 N -4.59 2.74 0.12 0.00 1.74 -1.26 -4.28 116.66 111.12 3lws n ARG 177 Ca 0.26 -3.78 -0.14 0.00 -0.77 0.00 0.00 57.85 53.43 3lws n ARG 177 Cb 0.96 -1.94 -0.08 0.00 -1.02 0.00 0.00 32.46 30.38 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 1.83 -0.22 -1.44 0.55 5.85 -1.48 -2.92 115.31 117.49 3lws h LEU 178 Ca 0.20 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3lws h LEU 178 Cb 1.38 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 3lws h LEU 178 CO 0.47 -0.05 0.40 -0.26 -0.34 0.00 0.00 178.44 178.66 3lws h PHE 179 N -0.38 0.72 0.00 1.25 0.04 -1.89 -3.08 116.94 113.59 3lws h PHE 179 Ca -0.03 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3lws h PHE 179 Cb 0.29 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.20 3lws h PHE 179 CO -0.03 0.43 0.00 0.39 -0.60 0.00 0.00 178.31 178.50 3lws n GLU 180 N -4.46 0.01 0.00 1.51 4.71 -1.10 -4.40 120.64 116.92 3lws n GLU 180 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 3lws n GLU 180 Cb 0.09 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 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 0.99 0.00 -0.25 -4.62 4.77 -1.17 -4.32 117.00 112.40 3lws n LEU 182 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3lws n LEU 182 Cb 0.01 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 3lws n LEU 182 CO 0.00 0.00 1.15 -0.65 -1.33 0.00 0.00 177.39 176.56 3lws h PRO 183 N 0.00 0.86 0.04 3.23 0.11 -1.85 -1.01 132.00 133.39 3lws h PRO 183 Ca 0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3lws h PRO 183 Cb 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.92 3lws h PRO 183 CO 0.00 0.57 -0.02 -0.92 -0.21 0.00 0.00 178.00 177.42 3lws h TYR 184 N 0.88 -0.05 0.00 0.65 3.20 -1.86 -3.13 116.97 116.66 3lws h TYR 184 Ca 0.27 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 3lws h TYR 184 Cb -0.01 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 3lws h TYR 184 CO -0.04 0.34 -0.00 1.88 -1.64 0.00 0.00 178.16 178.70 3lws h TYR 185 N -0.46 0.00 -6.05 -3.82 0.05 -1.88 -3.46 116.97 101.34 3lws h TYR 185 Ca -0.01 0.00 -0.43 0.00 0.05 0.00 0.00 58.73 58.35 3lws h TYR 185 Cb 0.42 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.22 3lws h TYR 185 CO 0.06 0.00 -0.75 0.39 -1.05 0.00 0.00 178.16 176.82 3lws n GLU 186 N -4.11 -6.35 -4.17 4.88 1.02 -0.39 -5.00 120.64 106.52 3lws n GLU 186 Ca -0.03 0.70 -0.15 0.00 -0.02 0.00 0.00 57.16 57.67 3lws n GLU 186 Cb 0.09 -5.61 -0.11 0.00 -0.02 0.00 0.00 31.44 25.79 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 -6.28 0.83 0.67 3.49 -0.14 -1.17 -5.09 119.74 112.06 3lws s LYS 187 Ca 0.45 -1.13 -0.08 0.00 -1.36 0.00 0.00 55.97 53.86 3lws s LYS 187 Cb -0.22 -0.54 0.03 0.00 -1.68 0.00 0.00 37.83 35.42 3lws s LYS 187 CO 0.78 0.09 1.01 0.95 -0.76 0.00 0.00 175.35 177.43 3lws s THR 188 N -2.31 3.15 0.23 2.17 -4.23 -1.26 -4.72 115.64 108.67 3lws s THR 188 Ca 0.04 0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.57 3lws s THR 188 Cb -0.04 -3.32 0.22 0.00 1.34 0.00 0.00 72.50 70.70 3lws s THR 188 CO 0.00 -0.37 1.91 0.00 -0.54 0.00 0.00 174.62 175.62 3lws h ALA 189 N -0.50 1.14 -0.13 3.99 0.00 -1.98 -2.50 119.26 119.28 3lws h ALA 189 Ca -0.45 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 3lws h ALA 189 Cb 1.28 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3lws h ALA 189 CO 0.62 0.55 -0.12 0.00 0.00 0.00 0.00 179.25 180.30 3lws h ALA 190 N 1.33 1.55 -0.20 0.00 0.00 -1.78 -1.40 119.26 118.76 3lws h ALA 190 Ca 0.33 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3lws h ALA 190 Cb -0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3lws h ALA 190 CO -0.07 0.32 -0.26 0.93 0.00 0.00 0.00 179.25 180.17 3lws h GLU 191 N 0.20 0.54 0.18 0.00 5.08 -1.79 0.24 114.58 119.03 3lws h GLU 191 Ca 0.04 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3lws h GLU 191 Cb 0.35 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3lws h GLU 191 CO 0.02 0.90 -0.09 0.82 -1.00 0.00 0.00 179.01 179.66 3lws h ILE 192 N 0.21 0.94 -0.73 3.13 1.08 -1.50 -3.21 117.51 117.43 3lws h ILE 192 Ca 0.03 -0.75 0.14 0.00 -0.39 0.00 0.00 64.86 63.89 3lws h ILE 192 Cb 0.83 1.37 -0.05 0.00 -3.07 0.00 0.00 36.82 35.90 3lws h ILE 192 CO 0.06 0.17 0.49 0.00 -0.69 0.00 0.00 178.15 178.18 3lws h ALA 193 N 0.10 2.09 0.00 1.87 0.00 -1.24 -2.53 119.26 119.55 3lws h ALA 193 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3lws h ALA 193 Cb 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3lws h ALA 193 CO 0.04 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.42 3lws n GLY 194 N -1.52 -1.02 0.12 0.00 0.00 0.84 -1.36 105.19 102.25 3lws n GLY 194 Ca 0.14 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.41 3lws n GLY 194 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3lws h LEU 195 N 0.00 0.00-10.18 0.99 3.38 -1.58 -3.48 115.31 104.44 3lws h LEU 195 Ca 0.00 -0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3lws h LEU 195 Cb 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3lws h LEU 195 CO 0.00 0.00 -0.37 -0.36 0.09 0.00 0.00 178.44 177.80 3lws s PHE 196 N -3.12 2.44 -0.20 1.13 0.40 -0.47 -4.76 117.98 113.40 3lws s PHE 196 Ca 0.10 -0.58 -0.13 0.00 -0.60 0.00 0.00 56.93 55.72 3lws s PHE 196 Cb 0.11 -2.10 -0.20 0.00 0.51 0.00 0.00 43.02 41.35 3lws s PHE 196 CO 0.61 -0.18 0.10 -0.25 0.70 0.00 0.00 175.22 176.20 3lws n ASP 197 N -1.57 1.98 -4.24 1.36 8.00 0.17 -4.97 116.55 117.27 3lws n ASP 197 Ca 0.02 0.27 -0.14 0.00 0.71 0.00 0.00 54.79 55.65 3lws n ASP 197 Cb 0.63 -0.84 -0.10 0.00 -0.02 0.00 0.00 41.12 40.79 3lws n ASP 197 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3lws s SER 198 N -6.99 1.73 0.00 -2.24 1.04 -1.21 -4.27 113.70 101.76 3lws s SER 198 Ca -0.30 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.15 3lws s SER 198 Cb 0.08 -0.00 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 3lws s SER 198 CO 0.63 -0.33 -0.02 -0.63 0.98 0.00 0.00 173.24 173.86 3lws s ILE 199 N -3.25 0.18 -0.13 -1.02 1.09 -0.16 -1.56 121.20 116.34 3lws s ILE 199 Ca 0.15 -0.21 -0.01 0.00 -1.10 0.00 0.00 60.65 59.48 3lws s ILE 199 Cb 0.02 -0.18 -0.02 0.00 -1.06 0.00 0.00 42.46 41.22 3lws s ILE 199 CO 0.00 -0.02 -0.08 -0.47 -0.10 0.00 0.00 174.94 174.27 3lws s TYR 200 N -0.24 2.91 0.15 3.97 5.04 -0.18 -0.68 117.35 128.33 3lws s TYR 200 Ca -0.01 -0.40 0.07 0.00 -2.44 0.00 0.00 57.07 54.28 3lws s TYR 200 Cb -0.02 -1.87 -0.04 0.00 0.35 0.00 0.00 41.96 40.38 3lws s TYR 200 CO -0.00 -0.06 -0.14 0.96 -1.34 0.00 0.00 175.55 174.97 3lws s ILE 201 N 0.18 1.48 0.07 3.14 -4.36 -0.61 -0.51 121.20 120.59 3lws s ILE 201 Ca -0.05 -1.90 0.09 0.00 -0.26 0.00 0.00 60.65 58.54 3lws s ILE 201 Cb -0.14 -1.73 -0.03 0.00 1.25 0.00 0.00 42.46 41.80 3lws s ILE 201 CO 0.04 -0.48 -0.22 -0.55 0.24 0.00 0.00 174.94 173.97 3lws s SER 202 N -2.75 3.52 -0.07 4.36 0.15 -1.26 -1.32 113.70 116.33 3lws s SER 202 Ca 0.14 -0.56 0.16 0.00 0.70 0.00 0.00 55.95 56.39 3lws s SER 202 Cb -0.03 -0.43 0.55 0.00 -1.71 0.00 0.00 66.02 64.40 3lws s SER 202 CO 0.04 0.23 1.47 0.49 1.20 0.00 0.00 173.24 176.67 3lws n PHE 203 N 1.38 1.00 -2.43 3.44 3.72 -0.92 -4.82 117.46 118.84 3lws n PHE 203 Ca -0.17 -0.60 -0.19 0.00 -0.05 0.00 0.00 57.45 56.44 3lws n PHE 203 Cb 0.52 -0.15 0.02 0.00 -0.94 0.00 0.00 39.48 38.93 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 0.77 2.52 -0.13 1.38 4.11 -1.26 0.03 117.16 124.57 3lws n TYR 204 Ca 0.20 -2.67 0.13 0.00 -0.00 0.00 0.00 57.90 55.57 3lws n TYR 204 Cb 0.70 -0.23 0.24 0.00 -0.00 0.00 0.00 39.34 40.06 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 -0.48 -0.32 0.25 -7.48 0.00 -1.26 -4.24 105.19 91.65 3lws n GLY 206 Ca 0.31 0.34 0.15 0.00 0.00 0.00 0.00 46.02 46.81 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 0.78 0.99 3.38 -1.87 -3.48 115.31 115.10 3lws h LEU 207 Ca 0.35 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.18 3lws h LEU 207 Cb 0.93 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 3lws h LEU 207 CO -0.32 0.00 -0.17 0.61 0.09 0.00 0.00 178.44 178.65 3lws n GLY 208 N 0.54 0.39 0.00 0.83 0.00 -1.26 -4.57 105.19 101.12 3lws n GLY 208 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.41 -0.97 0.52 -0.02 0.00 0.10 -4.94 105.19 98.48 3lws n GLY 209 Ca -0.08 -1.45 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.16 0.89 -3.76 -0.61 5.41 -1.25 -4.52 119.36 115.36 3lws n ILE 210 Ca 0.00 -0.18 -0.09 0.00 1.00 0.00 0.00 62.75 63.48 3lws n ILE 210 Cb 0.00 -1.73 0.02 0.00 -0.71 0.00 0.00 39.64 37.22 3lws n ILE 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3lws n ALA 211 N -3.72 -1.55 0.00 -1.39 0.00 -1.26 -4.86 120.51 107.72 3lws n ALA 211 Ca -0.29 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 51.94 3lws n ALA 211 Cb 0.69 0.96 0.00 0.00 0.00 0.00 0.00 19.45 21.10 3lws n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lws n GLY 212 N -0.50 2.91 3.38 0.00 0.00 -1.05 -4.66 105.19 105.27 3lws n GLY 212 Ca -0.08 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.26 -0.09 4.61 0.00 0.12 -2.17 121.76 120.08 3lws s ALA 213 Ca 0.00 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.81 3lws s ALA 213 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 3lws s ALA 213 CO 0.00 -0.31 -0.11 0.42 0.00 0.00 0.00 175.76 175.76 3lws s ILE 214 N -1.17 3.34 -0.18 0.00 -1.09 -0.44 0.43 121.20 122.09 3lws s ILE 214 Ca -0.12 -0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 57.69 3lws s ILE 214 Cb -0.03 -2.37 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 3lws s ILE 214 CO 0.07 0.56 -0.09 -0.22 -1.23 0.00 0.00 174.94 174.04 3lws s LEU 215 N -0.34 2.82 0.06 2.97 2.96 -0.05 -1.57 118.68 125.54 3lws s LEU 215 Ca 0.04 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.67 3lws s LEU 215 Cb -0.13 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3lws s LEU 215 CO 0.02 0.07 -0.20 0.00 -1.32 0.00 0.00 176.35 174.93 3lws s ALA 216 N 0.91 1.68 0.00 5.97 0.00 0.14 0.17 121.76 130.63 3lws s ALA 216 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.86 3lws s ALA 216 Cb -0.15 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3lws s ALA 216 CO 0.00 0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.53 3lws n GLY 217 N 1.61 -0.88 3.59 0.00 0.00 -0.89 -0.99 105.19 107.64 3lws n GLY 217 Ca -0.18 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.33 0.12 0.09 1.61 0.02 -1.26 -2.30 135.00 132.94 3lws s PRO 218 Ca 0.00 1.08 -0.20 0.00 0.02 0.00 0.00 61.00 61.90 3lws s PRO 218 Cb 0.00 -1.66 -0.09 0.00 0.02 0.00 0.00 34.50 32.78 3lws s PRO 218 CO 0.00 -3.10 1.60 0.00 -0.33 0.00 0.00 177.00 175.18 3lws h ALA 219 N -2.18 0.28 -0.23 -1.55 0.00 -1.92 -0.84 119.26 112.82 3lws h ALA 219 Ca -0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 3lws h ALA 219 Cb 1.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3lws h ALA 219 CO 0.48 -0.10 0.11 0.00 0.00 0.00 0.00 179.25 179.74 3lws h ALA 220 N 0.89 0.29 -0.72 0.00 0.00 -1.99 -0.13 119.26 117.60 3lws h ALA 220 Ca 0.07 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.02 3lws h ALA 220 Cb 0.23 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 3lws h ALA 220 CO -0.00 -0.15 0.30 0.35 0.00 0.00 0.00 179.25 179.75 3lws h PHE 221 N 0.23 0.51 -0.20 0.00 3.57 -1.92 -1.61 116.94 117.54 3lws h PHE 221 Ca 0.08 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.43 3lws h PHE 221 Cb 0.12 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 3lws h PHE 221 CO -0.02 0.10 -0.61 0.00 -2.23 0.00 0.00 178.31 175.55 3lws h GLN 223 N 0.49 0.12 -0.71 0.00 4.20 -0.79 -1.77 115.11 116.65 3lws h GLN 223 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3lws h GLN 223 Cb 1.19 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 3lws h GLN 223 CO 0.12 0.08 0.46 1.15 -0.67 0.00 0.00 178.83 179.96 3lws h THR 224 N 0.12 1.19 -0.54 -0.54 2.02 -1.26 -2.86 112.91 111.03 3lws h THR 224 Ca 0.14 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3lws h THR 224 Cb 0.17 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 3lws h THR 224 CO -0.22 0.19 0.35 0.00 0.37 0.00 0.00 175.52 176.21 3lws h ALA 225 N 1.25 1.60 -0.39 6.16 0.00 -0.76 -1.50 119.26 125.61 3lws h ALA 225 Ca 0.26 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3lws h ALA 225 Cb -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3lws h ALA 225 CO -0.05 0.37 -0.10 0.00 0.00 0.00 0.00 179.25 179.47 3lws h ARG 226 N 0.74 0.68 -0.56 0.00 3.08 -1.14 0.22 114.38 117.40 3lws h ARG 226 Ca 0.20 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3lws h ARG 226 Cb -0.07 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3lws h ARG 226 CO -0.04 0.76 -0.00 0.82 -1.07 0.00 0.00 179.97 180.44 3lws h ILE 227 N 0.62 1.26 -0.32 2.04 1.08 -1.11 -2.16 117.51 118.93 3lws h ILE 227 Ca 0.11 -1.13 -0.13 0.00 -0.39 0.00 0.00 64.86 63.32 3lws h ILE 227 Cb 0.53 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 3lws h ILE 227 CO 0.03 0.40 -0.34 -0.50 -0.69 0.00 0.00 178.15 177.05 3lws h TRP 228 N 0.87 0.84 -0.62 1.37 4.06 -0.84 -2.43 115.95 119.21 3lws h TRP 228 Ca 0.16 -0.23 0.09 0.00 2.06 0.00 0.00 58.89 60.96 3lws h TRP 228 Cb 0.55 -0.19 -0.07 0.00 -1.00 0.00 0.00 29.16 28.46 3lws h TRP 228 CO 0.04 0.96 0.27 -0.22 -3.56 0.00 0.00 178.44 175.93 3lws h LYS 229 N 0.60 0.46 -0.36 0.49 3.64 -0.47 -0.50 116.57 120.43 3lws h LYS 229 Ca 0.06 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3lws h LYS 229 Cb 0.87 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 3lws h LYS 229 CO 0.08 0.31 0.19 -0.09 -2.27 0.00 0.00 179.45 177.66 3lws h ARG 230 N 0.48 0.51 -0.49 1.90 9.65 -0.99 -1.63 114.38 123.80 3lws h ARG 230 Ca 0.30 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 59.15 3lws h ARG 230 Cb 0.33 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.78 3lws h ARG 230 CO -0.27 0.43 0.27 0.00 2.80 0.00 0.00 179.97 183.20 3lws h ARG 231 N 0.45 0.52 0.00 0.20 3.08 -0.94 -1.95 114.38 115.75 3lws h ARG 231 Ca 0.13 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3lws h ARG 231 Cb 0.07 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3lws h ARG 231 CO -0.02 0.35 -0.01 1.88 -1.07 0.00 0.00 179.97 181.10 3lws h TYR 232 N 0.54 0.00 0.00 3.04 -1.99 -1.11 -3.47 116.97 113.98 3lws h TYR 232 Ca 0.20 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.93 3lws h TYR 232 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 3lws h TYR 232 CO -0.08 0.01 0.00 0.41 -0.00 0.00 0.00 178.16 178.50 3lws n GLY 233 N -0.88 0.49 0.30 3.88 0.00 -0.73 -4.95 105.19 103.29 3lws n GLY 233 Ca -0.02 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.73 -0.41 2.52 -0.02 0.00 -0.64 -4.64 105.19 100.27 3lws n GLY 234 Ca 0.00 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.59 7.73 -4.76 1.61 2.03 -1.17 -4.60 116.55 116.81 3lws n ASP 235 Ca 0.08 -3.10 -0.37 0.00 0.52 0.00 0.00 54.79 51.93 3lws n ASP 235 Cb 0.41 -1.39 0.03 0.00 -0.72 0.00 0.00 41.12 39.44 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 -1.70 3.81 0.27 -2.67 1.02 -1.26 -4.74 118.68 113.41 3lws s LEU 236 Ca 0.53 2.49 -0.01 0.00 0.02 0.00 0.00 54.13 57.16 3lws s LEU 236 Cb 0.17 -4.41 0.61 0.00 0.02 0.00 0.00 46.19 42.58 3lws s LEU 236 CO -0.08 -1.42 1.64 -0.29 0.02 0.00 0.00 176.35 176.23 3lws h ILE 237 N 1.31 0.33 -3.10 -0.59 2.10 -1.94 -3.31 117.51 112.32 3lws h ILE 237 Ca -0.50 -0.06 -0.54 0.00 1.08 0.00 0.00 64.86 64.84 3lws h ILE 237 Cb 1.29 0.14 -0.40 0.00 -1.09 0.00 0.00 36.82 36.75 3lws h ILE 237 CO 0.57 0.03 -0.76 -0.44 -1.08 0.00 0.00 178.15 176.47 3lws s SER 238 N -5.13 3.39 0.00 2.19 0.01 -1.26 -1.60 113.70 111.30 3lws s SER 238 Ca -0.13 -1.19 0.21 0.00 1.31 0.00 0.00 55.95 56.16 3lws s SER 238 Cb 0.24 -0.60 0.55 0.00 0.21 0.00 0.00 66.02 66.43 3lws s SER 238 CO 0.77 -0.38 1.45 0.18 0.41 0.00 0.00 173.24 175.67 3lws n LEU 239 N 5.05 2.67 -0.02 2.44 4.77 -1.26 -4.63 117.00 126.02 3lws n LEU 239 Ca -0.06 -1.17 0.17 0.00 -0.03 0.00 0.00 56.01 54.92 3lws n LEU 239 Cb 0.44 -0.21 0.63 0.00 -2.33 0.00 0.00 43.42 41.95 3lws n LEU 239 CO 0.10 0.59 1.18 0.10 -1.33 0.00 0.00 177.39 178.03 3lws h TYR 240 N 3.40 0.15 -0.07 -1.77 -0.00 -1.94 -1.06 116.97 115.69 3lws h TYR 240 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.75 3lws h TYR 240 Cb 0.75 -0.05 -0.00 0.00 0.00 0.00 0.00 36.73 37.43 3lws h TYR 240 CO 0.21 0.06 0.05 -1.35 -0.00 0.00 0.00 178.16 177.14 3lws h PRO 241 N 0.14 0.00 0.05 0.10 0.11 -2.01 -1.61 132.00 128.78 3lws h PRO 241 Ca 0.26 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.03 3lws h PRO 241 Cb 0.84 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 3lws h PRO 241 CO -0.03 0.00 -1.94 0.66 -0.21 0.00 0.00 178.00 176.47 3lws n TYR 242 N -4.39 0.95 -0.02 0.65 4.01 -0.46 -3.75 117.16 114.14 3lws n TYR 242 Ca -0.01 0.27 -0.13 0.00 -0.16 0.00 0.00 57.90 57.86 3lws n TYR 242 Cb 0.16 -1.15 -0.10 0.00 -0.31 0.00 0.00 39.34 37.94 3lws n TYR 242 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3lws h ILE 243 N 0.03 1.42 -0.47 -0.72 2.04 -1.17 -1.24 117.51 117.39 3lws h ILE 243 Ca -0.39 -1.24 -0.04 0.00 1.00 0.00 0.00 64.86 64.19 3lws h ILE 243 Cb 2.03 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 40.35 3lws h ILE 243 CO 0.07 0.32 0.15 0.58 0.00 0.00 0.00 178.15 179.27 3lws h VAL 244 N -0.51 1.22 -0.26 1.67 2.07 -1.52 -0.52 116.25 118.41 3lws h VAL 244 Ca 0.00 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 3lws h VAL 244 Cb 0.53 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3lws h VAL 244 CO 0.00 0.27 -0.09 0.77 0.02 0.00 0.00 177.57 178.55 3lws h SER 245 N 0.63 0.39 -0.10 0.57 4.64 -1.65 -1.42 113.55 116.62 3lws h SER 245 Ca 0.15 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 3lws h SER 245 Cb 0.26 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3lws h SER 245 CO -0.01 0.52 0.01 0.00 -0.87 0.00 0.00 176.83 176.49 3lws h ALA 246 N 1.53 0.13 -0.40 5.18 0.00 -0.59 -2.41 119.26 122.69 3lws h ALA 246 Ca 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3lws h ALA 246 Cb 0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3lws h ALA 246 CO 0.02 -0.21 0.09 0.22 0.00 0.00 0.00 179.25 179.37 3lws h ASP 247 N -0.08 0.56 0.19 0.00 3.58 -0.93 0.66 116.42 120.41 3lws h ASP 247 Ca 0.03 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 3lws h ASP 247 Cb 0.30 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.21 3lws h ASP 247 CO 0.00 0.57 -0.09 0.22 -2.88 0.00 0.00 179.24 177.06 3lws h TYR 248 N 0.59 -0.24 -0.00 0.28 3.20 -1.16 -1.17 116.97 118.46 3lws h TYR 248 Ca 0.13 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.86 3lws h TYR 248 Cb 0.24 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3lws h TYR 248 CO 0.01 0.03 -0.65 1.88 -1.64 0.00 0.00 178.16 177.79 3lws h TYR 249 N -0.51 0.00 -0.16 -3.82 0.05 -1.32 -0.75 116.97 110.47 3lws h TYR 249 Ca -0.03 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3lws h TYR 249 Cb 0.38 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 3lws h TYR 249 CO 0.01 0.65 0.10 -0.92 -1.05 0.00 0.00 178.16 176.95 3lws h TYR 250 N 0.00 0.20 -0.47 4.88 3.20 -0.86 -0.65 116.97 123.27 3lws h TYR 250 Ca -0.01 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3lws h TYR 250 Cb 1.15 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 3lws h TYR 250 CO 0.00 0.13 -0.05 0.93 -1.64 0.00 0.00 178.16 177.53 3lws h GLU 251 N 0.21 0.80 -0.41 1.82 4.39 -1.03 0.33 114.58 120.69 3lws h GLU 251 Ca 0.06 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.44 3lws h GLU 251 Cb -0.03 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 3lws h GLU 251 CO -0.01 0.84 -0.06 1.25 -1.16 0.00 0.00 179.01 179.87 3lws h LEU 252 N 0.74 0.67 -0.21 1.33 5.85 -0.95 -3.38 115.31 119.36 3lws h LEU 252 Ca 0.14 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3lws h LEU 252 Cb 0.51 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3lws h LEU 252 CO 0.03 0.78 0.00 0.54 -0.34 0.00 0.00 178.44 179.45 3lws n ARG 253 N -4.20 4.93 0.10 1.25 1.74 -0.27 -4.77 116.66 115.45 3lws n ARG 253 Ca 0.02 -0.11 0.20 0.00 -0.77 0.00 0.00 57.85 57.19 3lws n ARG 253 Cb 0.32 -0.59 0.75 0.00 -1.02 0.00 0.00 32.46 31.92 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 0.00 0.00 -0.54 5.56 2.10 -1.12 -0.09 116.57 122.49 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 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 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 -3.67 3.57 -3.70 7.07 8.00 -1.26 -4.94 116.55 121.62 3lws n ASP 255 Ca 0.07 -2.07 -0.39 0.00 0.71 0.00 0.00 54.79 53.10 3lws n ASP 255 Cb 0.61 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 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 1.03 4.61 0.00 -1.24 1.74 -0.05 -4.72 116.66 118.03 3lws n ARG 256 Ca 0.19 -4.64 0.00 0.00 -0.77 0.00 0.00 57.85 52.62 3lws n ARG 256 Cb 0.57 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 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 0.56 0.00 0.21 -0.13 0.00 -1.26 -1.24 105.19 103.32 3lws n GLY 258 Ca 0.35 0.00 -0.10 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 0.55 -0.47 1.61 3.07 -1.99 -1.82 115.11 116.05 3lws h GLN 259 Ca 0.00 -0.37 -0.05 0.00 0.09 0.00 0.00 58.65 58.32 3lws h GLN 259 Cb 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 27.48 27.59 3lws h GLN 259 CO 0.00 0.98 0.08 1.88 0.09 0.00 0.00 178.83 181.87 3lws h TYR 260 N 0.41 0.74 -0.26 0.06 0.05 -1.52 0.13 116.97 116.58 3lws h TYR 260 Ca -0.00 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.67 3lws h TYR 260 Cb 1.15 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.67 3lws h TYR 260 CO 0.05 0.65 0.01 -0.92 -1.05 0.00 0.00 178.16 176.90 3lws h TYR 261 N 0.69 0.50 -0.72 4.88 3.20 -1.77 0.41 116.97 124.16 3lws h TYR 261 Ca 0.15 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3lws h TYR 261 Cb 0.31 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3lws h TYR 261 CO 0.02 0.61 0.28 0.93 -1.64 0.00 0.00 178.16 178.35 3lws h GLU 262 N 0.24 1.08 -0.17 1.82 4.39 -1.07 -1.96 114.58 118.92 3lws h GLU 262 Ca 0.07 -0.20 -0.15 0.00 0.34 0.00 0.00 59.36 59.43 3lws h GLU 262 Cb 0.41 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3lws h GLU 262 CO 0.01 0.90 -0.51 1.96 -1.16 0.00 0.00 179.01 180.21 3lws h GLN 263 N 1.04 0.46 -0.64 2.33 4.20 -0.79 -2.09 115.11 119.63 3lws h GLN 263 Ca 0.24 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3lws h GLN 263 Cb 0.23 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3lws h GLN 263 CO -0.02 0.87 0.34 0.00 -0.67 0.00 0.00 178.83 179.35 3lws h ALA 264 N 1.08 1.41 -0.25 3.87 0.00 0.04 -0.04 119.26 125.38 3lws h ALA 264 Ca 0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3lws h ALA 264 Cb 1.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3lws h ALA 264 CO 0.09 0.49 -0.50 0.87 0.00 0.00 0.00 179.25 180.20 3lws h LYS 265 N 0.89 0.68 -0.48 0.00 1.57 -1.03 -0.08 116.57 118.12 3lws h LYS 265 Ca 0.23 -0.40 -0.10 0.00 -1.87 0.00 0.00 60.65 58.51 3lws h LYS 265 Cb 0.03 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3lws h LYS 265 CO -0.04 1.02 -0.09 1.96 -0.57 0.00 0.00 179.45 181.74 3lws h GLN 266 N 0.53 0.90 -0.65 3.15 4.20 -1.21 -2.47 115.11 119.57 3lws h GLN 266 Ca 0.02 -0.33 -0.09 0.00 0.06 0.00 0.00 58.65 58.32 3lws h GLN 266 Cb 1.05 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 3lws h GLN 266 CO 0.10 0.98 0.07 -0.07 -0.67 0.00 0.00 178.83 179.24 3lws h LEU 267 N 0.75 1.06 -0.11 1.46 3.38 -0.88 -2.70 115.31 118.27 3lws h LEU 267 Ca 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3lws h LEU 267 Cb 0.63 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3lws h LEU 267 CO 0.04 1.07 0.02 0.00 0.09 0.00 0.00 178.44 179.66 3lws h ALA 268 N 1.05 0.14 -0.60 1.53 0.00 -0.89 -2.05 119.26 118.44 3lws h ALA 268 Ca 0.19 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3lws h ALA 268 Cb 0.48 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.11 3lws h ALA 268 CO 0.02 -0.22 -0.22 1.49 0.00 0.00 0.00 179.25 180.32 3lws h GLU 269 N -0.04 -0.06 -0.21 0.00 4.81 -1.47 0.35 114.58 117.96 3lws h GLU 269 Ca 0.03 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3lws h GLU 269 Cb 0.26 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 3lws h GLU 269 CO 0.00 -0.04 -0.02 1.96 -0.73 0.00 0.00 179.01 180.18 3lws h GLN 270 N -0.07 0.03 -0.43 1.92 1.08 -1.30 0.14 115.11 116.49 3lws h GLN 270 Ca 0.28 -0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.39 3lws h GLN 270 Cb 0.50 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 3lws h GLN 270 CO -0.65 0.02 -0.07 0.74 -0.95 0.00 0.00 178.83 177.92 3lws h PHE 271 N 0.04 0.81 0.00 2.96 0.04 -0.77 -2.85 116.94 117.17 3lws h PHE 271 Ca 0.10 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 60.64 3lws h PHE 271 Cb 0.14 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3lws h PHE 271 CO -0.20 0.80 -0.46 -0.91 -0.60 0.00 0.00 178.31 176.94 3lws h ASN 272 N 0.69 0.00 0.11 2.17 2.35 0.12 -2.19 115.58 118.83 3lws h ASN 272 Ca 0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3lws h ASN 272 Cb 0.53 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 3lws h ASN 272 CO 0.03 0.46 -0.00 0.00 -1.65 0.00 0.00 177.43 176.26 3lws h ALA 273 N 1.54 1.07 -2.23 -0.83 0.00 -0.49 -3.45 119.26 114.87 3lws h ALA 273 Ca -0.00 -0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.43 3lws h ALA 273 Cb 0.84 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3lws h ALA 273 CO 0.06 0.01 0.24 -0.51 0.00 0.00 0.00 179.25 179.04 3lws s LEU 274 N -6.36 4.06 0.17 0.00 1.43 -0.82 -5.04 118.68 112.12 3lws s LEU 274 Ca -0.04 1.54 -0.30 0.00 -1.03 0.00 0.00 54.13 54.30 3lws s LEU 274 Cb 0.13 -4.24 -0.07 0.00 0.03 0.00 0.00 46.19 42.04 3lws s LEU 274 CO 0.44 -0.24 1.04 -2.84 0.23 0.00 0.00 176.35 174.98 3lws s PRO 275 N -2.87 4.66 -0.81 1.29 0.02 -1.26 -3.61 135.00 132.42 3lws s PRO 275 Ca 0.56 1.61 0.00 0.00 0.02 0.00 0.00 61.00 63.20 3lws s PRO 275 Cb -0.11 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.11 3lws s PRO 275 CO 0.16 0.18 0.00 0.41 -0.33 0.00 0.00 177.00 177.43 3lws n GLY 276 N 1.98 0.55 2.85 0.52 0.00 -1.26 -4.93 105.19 104.90 3lws n GLY 276 Ca 0.02 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.36 0.02 0.12 1.61 1.01 -1.24 -1.58 120.40 117.98 3lws s VAL 277 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 3lws s VAL 277 Cb 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 36.38 36.35 3lws s VAL 277 CO 0.00 0.03 0.37 -1.38 0.00 0.00 0.00 175.10 174.12 3lws s HIS 278 N 0.24 -0.15 0.13 5.22 -3.43 -0.72 -4.55 115.29 112.03 3lws s HIS 278 Ca -0.02 -0.19 0.05 0.00 -0.80 0.00 0.00 55.06 54.10 3lws s HIS 278 Cb -0.03 0.21 -0.04 0.00 -1.43 0.00 0.00 32.58 31.29 3lws s HIS 278 CO -0.01 -0.67 0.08 0.95 -2.00 0.00 0.00 174.74 173.09 3lws s THR 279 N -3.80 4.34 -0.10 -5.38 -4.23 -1.26 -1.09 115.64 104.12 3lws s THR 279 Ca 0.03 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.54 3lws s THR 279 Cb 0.02 -3.16 0.02 0.00 1.34 0.00 0.00 72.50 70.72 3lws s THR 279 CO -0.12 -0.01 -0.14 0.42 -0.54 0.00 0.00 174.62 174.24 3lws s THR 280 N -1.58 1.41 0.95 3.99 -4.23 -0.40 -3.42 115.64 112.36 3lws s THR 280 Ca 0.29 -0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 60.09 3lws s THR 280 Cb -0.11 -1.30 0.16 0.00 1.34 0.00 0.00 72.50 72.59 3lws s THR 280 CO 0.22 0.42 1.10 -2.16 -0.54 0.00 0.00 174.62 173.66 3lws s PRO 281 N 1.02 0.81 0.10 3.99 0.04 -1.26 -0.82 135.00 138.89 3lws s PRO 281 Ca -0.06 0.56 -0.24 0.00 0.04 0.00 0.00 61.00 61.30 3lws s PRO 281 Cb -0.15 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 3lws s PRO 281 CO -0.02 -2.48 1.70 1.49 0.04 0.00 0.00 177.00 177.74 3lws h GLU 282 N -1.71 -0.15 -4.75 4.56 4.81 -1.96 -3.37 114.58 112.00 3lws h GLU 282 Ca -0.52 0.01 -0.68 0.00 -0.13 0.00 0.00 59.36 58.04 3lws h GLU 282 Cb 1.32 0.04 -0.34 0.00 0.63 0.00 0.00 28.75 30.39 3lws h GLU 282 CO 0.58 -0.10 -0.70 0.08 -0.73 0.00 0.00 179.01 178.13 3lws s VAL 283 N -6.16 2.89 0.55 0.32 1.01 -1.26 -4.75 120.40 112.99 3lws s VAL 283 Ca -0.14 -1.52 -0.19 0.00 0.00 0.00 0.00 61.98 60.13 3lws s VAL 283 Cb 0.07 -2.72 -0.08 0.00 0.00 0.00 0.00 36.38 33.65 3lws s VAL 283 CO 0.66 -0.18 0.65 -2.65 0.00 0.00 0.00 175.10 173.59 3lws n PRO 284 N 4.58 0.66 -0.59 2.72 -0.02 -1.26 -4.91 135.00 136.18 3lws n PRO 284 Ca -0.11 0.25 0.08 0.00 -2.02 0.00 0.00 63.50 61.70 3lws n PRO 284 Cb 0.43 -1.80 0.31 0.00 -0.02 0.00 0.00 33.50 32.42 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 -1.51 2.28 -3.09 -1.45 0.24 -1.26 -4.89 118.33 108.65 3lws n VAL 285 Ca 0.12 -1.56 0.00 0.00 -2.04 0.00 0.00 64.34 60.86 3lws n VAL 285 Cb 0.46 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 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 0.17 0.00 -0.79 -1.34 3.41 -1.26 -4.51 113.62 109.30 3lws n SER 286 Ca 0.23 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 3lws n SER 286 Cb 0.95 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 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 -0.22 1.52 0.00 4.04 6.94 -1.26 -4.52 115.26 121.76 3lws n ASN 287 Ca 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 54.58 53.16 3lws n ASN 287 Cb 0.00 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.07 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 0.44 0.00 -3.92 -2.53 -1.74 -0.61 0.58 117.46 109.68 3lws n PHE 289 Ca 0.00 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.57 3lws n PHE 289 Cb 0.28 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.24 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 3.52 -0.14 2.97 3.76 -0.00 -1.01 115.29 122.39 3lws s HIS 290 Ca 0.00 0.28 0.01 0.00 -0.15 0.00 0.00 55.06 55.20 3lws s HIS 290 Cb 0.00 -1.78 0.02 0.00 1.11 0.00 0.00 32.58 31.93 3lws s HIS 290 CO 0.00 0.61 -0.18 -1.17 -0.85 0.00 0.00 174.74 173.15 3lws s LEU 291 N -2.33 1.89 -0.09 0.89 2.96 0.42 -1.27 118.68 121.14 3lws s LEU 291 Ca 0.33 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3lws s LEU 291 Cb -0.13 -1.28 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 3lws s LEU 291 CO 0.25 0.02 -0.20 -1.00 -1.32 0.00 0.00 176.35 174.09 3lws s HIS 292 N 1.10 2.61 -0.16 5.38 3.76 -0.25 -1.08 115.29 126.66 3lws s HIS 292 Ca -0.02 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 3lws s HIS 292 Cb -0.14 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.84 3lws s HIS 292 CO -0.06 -0.25 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.36 3lws s PHE 293 N 0.11 2.78 0.16 1.40 0.40 0.14 -1.76 117.98 121.19 3lws s PHE 293 Ca -0.10 -1.18 -0.32 0.00 -0.60 0.00 0.00 56.93 54.74 3lws s PHE 293 Cb -0.16 -1.90 -0.10 0.00 0.51 0.00 0.00 43.02 41.38 3lws s PHE 293 CO 0.06 -0.56 1.55 -0.51 0.70 0.00 0.00 175.22 176.46 3lws s ASP 294 N 0.95 6.61 0.00 1.36 1.01 -0.62 -0.58 116.67 125.40 3lws s ASP 294 Ca -0.03 2.59 0.00 0.00 0.71 0.00 0.00 52.55 55.82 3lws s ASP 294 Cb -0.15 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.19 3lws s ASP 294 CO -0.03 -0.81 0.00 0.61 0.21 0.00 0.00 175.17 175.15 3lws n GLY 295 N 3.74 2.82 3.92 0.21 0.00 -0.09 -4.88 105.19 110.91 3lws n GLY 295 Ca 0.14 -1.97 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.90 2.69 0.36 1.61 -1.52 -1.26 -2.62 119.66 116.02 3lws s GLN 296 Ca 0.00 -0.12 0.07 0.00 -1.95 0.00 0.00 55.36 53.36 3lws s GLN 296 Cb 0.00 -2.26 0.70 0.00 -0.22 0.00 0.00 33.01 31.24 3lws s GLN 296 CO 0.00 -0.86 1.90 0.00 -0.25 0.00 0.00 175.29 176.09 3lws h ALA 297 N -0.28 1.45 -1.25 6.09 0.00 -1.93 0.21 119.26 123.54 3lws h ALA 297 Ca -0.45 -0.19 0.36 0.00 0.00 0.00 0.00 54.91 54.63 3lws h ALA 297 Cb 1.28 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3lws h ALA 297 CO 0.60 0.39 0.87 0.00 0.00 0.00 0.00 179.25 181.11 3lws h ALA 298 N 1.58 2.94 0.00 0.00 0.00 -2.00 0.27 119.26 122.06 3lws h ALA 298 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3lws h ALA 298 Cb 0.33 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3lws h ALA 298 CO 0.01 -1.36 -2.02 -0.25 0.00 0.00 0.00 179.25 175.64 3lws n ASP 299 N -4.33 0.19 -0.11 0.00 8.00 0.62 -4.60 116.55 116.32 3lws n ASP 299 Ca 0.29 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.56 3lws n ASP 299 Cb 1.26 1.82 -0.12 0.00 -0.02 0.00 0.00 41.12 44.07 3lws n ASP 299 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3lws n ILE 300 N -2.30 1.54 -0.20 0.53 2.08 -0.45 -4.31 119.36 116.24 3lws n ILE 300 Ca -0.08 -0.48 0.01 0.00 0.56 0.00 0.00 62.75 62.76 3lws n ILE 300 Cb 0.63 -1.66 0.10 0.00 -0.75 0.00 0.00 39.64 37.96 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 -0.41 -0.25 0.34 4.38 0.87 -0.72 0.64 113.55 118.40 3lws h SER 301 Ca -0.58 0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.10 3lws h SER 301 Cb 1.77 0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 63.99 3lws h SER 301 CO -0.19 -0.11 -0.13 -0.65 -0.53 0.00 0.00 176.83 175.23 3lws h PRO 302 N 0.12 0.00 0.01 2.24 0.11 -1.81 -0.93 132.00 131.75 3lws h PRO 302 Ca 0.32 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.43 3lws h PRO 302 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3lws h PRO 302 CO -0.52 0.13 -0.00 0.87 -0.21 0.00 0.00 178.00 178.27 3lws h LYS 303 N 0.00 -0.01 -0.29 1.05 1.57 0.07 -3.17 116.57 115.79 3lws h LYS 303 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3lws h LYS 303 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3lws h LYS 303 CO 0.02 0.34 -0.24 -0.07 -0.57 0.00 0.00 179.45 178.92 3lws h LEU 304 N -0.36 0.57 -0.38 2.94 3.38 -1.21 -2.62 115.31 117.63 3lws h LEU 304 Ca -0.00 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.81 3lws h LEU 304 Cb 0.35 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3lws h LEU 304 CO 0.00 0.81 0.14 -0.33 0.09 0.00 0.00 178.44 179.15 3lws h GLU 305 N 0.50 0.28 -0.39 1.13 5.08 -1.25 -2.03 114.58 117.90 3lws h GLU 305 Ca 0.07 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 3lws h GLU 305 Cb 0.69 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3lws h GLU 305 CO 0.05 0.19 -0.33 0.37 -1.00 0.00 0.00 179.01 178.29 3lws h GLN 306 N 0.29 0.91 -0.74 2.33 4.15 -1.50 0.20 115.11 120.75 3lws h GLN 306 Ca 0.17 -0.46 -0.00 0.00 0.77 0.00 0.00 58.65 59.13 3lws h GLN 306 Cb 0.15 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 3lws h GLN 306 CO -0.17 1.11 0.45 0.28 -1.93 0.00 0.00 178.83 178.57 3lws h VAL 307 N 0.72 1.20 0.03 2.39 2.07 -1.46 -1.50 116.25 119.71 3lws h VAL 307 Ca 0.07 -0.44 -0.23 0.00 0.82 0.00 0.00 66.70 66.92 3lws h VAL 307 Cb 0.91 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3lws h VAL 307 CO 0.08 0.21 -1.13 1.56 0.02 0.00 0.00 177.57 178.32 3lws h GLN 308 N 1.02 0.07 -0.17 1.57 4.20 -0.94 -0.80 115.11 120.06 3lws h GLN 308 Ca 0.27 -0.11 -0.14 0.00 0.06 0.00 0.00 58.65 58.73 3lws h GLN 308 Cb -0.05 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3lws h GLN 308 CO -0.05 1.01 -0.47 0.93 -0.67 0.00 0.00 178.83 179.57 3lws h GLU 309 N 0.02 0.45 0.03 1.46 5.08 -0.56 -1.58 114.58 119.48 3lws h GLU 309 Ca -0.07 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 3lws h GLU 309 Cb 1.84 0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.11 3lws h GLU 309 CO 0.14 0.83 -0.20 0.93 -1.00 0.00 0.00 179.01 179.71 3lws h GLU 310 N 0.36 0.08 0.00 2.33 5.08 -1.31 -3.38 114.58 117.75 3lws h GLU 310 Ca 0.02 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3lws h GLU 310 Cb 0.97 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3lws h GLU 310 CO 0.08 1.04 -0.53 1.79 -1.00 0.00 0.00 179.01 180.39 3lws h THR 311 N -0.81 0.00 -0.56 1.13 1.35 -1.26 -3.48 112.91 109.28 3lws h THR 311 Ca -0.03 -0.88 -0.24 0.00 -0.55 0.00 0.00 66.41 64.71 3lws h THR 311 Cb 1.13 1.59 -0.10 0.00 -1.73 0.00 0.00 68.15 69.05 3lws h THR 311 CO 0.04 0.00 -0.22 0.61 -0.25 0.00 0.00 175.52 175.70 3lws n GLY 312 N 1.19 1.13 3.51 5.82 0.00 -0.59 -4.94 105.19 111.31 3lws n GLY 312 Ca 0.02 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.68 3.44 -0.32 0.99 2.96 -1.26 -0.84 118.68 120.97 3lws s LEU 313 Ca 0.00 -0.11 -0.21 0.00 -0.22 0.00 0.00 54.13 53.59 3lws s LEU 313 Cb 0.00 -1.87 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 3lws s LEU 313 CO 0.00 0.10 0.68 -0.83 -1.32 0.00 0.00 176.35 174.98 3lws s GLY 314 N 0.78 1.75 -0.28 7.98 0.00 0.15 -4.53 107.32 113.17 3lws s GLY 314 Ca 0.01 -0.63 -0.13 0.00 0.00 0.00 0.00 44.72 43.98 3lws s GLY 314 CO 0.02 1.56 -0.35 0.69 0.00 0.00 0.00 173.10 175.02 3lws n PHE 315 N 6.03 0.00 -3.76 1.90 3.01 -1.26 -1.22 117.46 122.16 3lws n PHE 315 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.32 3lws n PHE 315 Cb 0.49 -1.00 -0.16 0.00 -0.01 0.00 0.00 39.48 38.80 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 -2.51 -0.06 -1.61 -4.37 1.01 -1.26 -4.78 120.40 106.83 3lws s VAL 316 Ca -0.39 0.22 0.16 0.00 0.00 0.00 0.00 61.98 61.97 3lws s VAL 316 Cb 0.14 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.43 3lws s VAL 316 CO 0.50 0.09 0.89 0.61 0.00 0.00 0.00 175.10 177.19 3lws n GLY 317 N 4.24 0.02 3.59 4.51 0.00 -1.26 -4.67 105.19 111.62 3lws n GLY 317 Ca -0.27 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.71 -0.31 -0.03 1.61 1.13 -1.26 -3.71 117.35 113.07 3lws s TYR 318 Ca 0.15 0.52 0.06 0.00 -1.41 0.00 0.00 57.07 56.38 3lws s TYR 318 Cb 0.13 0.46 -0.01 0.00 -1.10 0.00 0.00 41.96 41.44 3lws s TYR 318 CO 0.34 -0.29 -0.20 -0.51 -2.51 0.00 0.00 175.55 172.38 3lws s LEU 319 N -1.14 2.00 -0.21 -3.49 1.43 -1.26 -4.50 118.68 111.51 3lws s LEU 319 Ca 0.00 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 3lws s LEU 319 Cb -0.01 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.14 3lws s LEU 319 CO -0.00 0.21 -0.04 -0.69 0.23 0.00 0.00 176.35 176.06 3lws s VAL 320 N -0.25 3.43 0.05 -1.59 1.01 0.26 -4.88 120.40 118.44 3lws s VAL 320 Ca 0.02 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 3lws s VAL 320 Cb -0.10 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3lws s VAL 320 CO 0.01 0.43 0.91 -1.81 0.00 0.00 0.00 175.10 174.64 3lws s ASP 321 N 1.33 7.37 0.00 3.32 1.01 -1.26 -0.38 116.67 128.06 3lws s ASP 321 Ca 0.04 1.64 0.00 0.00 0.71 0.00 0.00 52.55 54.94 3lws s ASP 321 Cb -0.14 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.24 3lws s ASP 321 CO -0.02 -0.12 0.00 0.29 0.21 0.00 0.00 175.17 175.53 3lws n LYS 322 N 3.24 1.94 -2.75 8.23 4.76 0.49 -4.98 118.16 129.09 3lws n LYS 322 Ca 0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 3lws n LYS 322 Cb 0.50 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.66 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 -0.12 6.50 0.00 4.39 2.15 -1.26 -3.92 116.67 124.41 3lws s ASP 323 Ca 0.00 -1.59 0.00 0.00 0.43 0.00 0.00 52.55 51.39 3lws s ASP 323 Cb 0.00 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 3lws s ASP 323 CO 0.00 -1.34 0.00 0.61 -0.17 0.00 0.00 175.17 174.27 3lws n GLY 324 N 6.03 0.51 3.51 2.66 0.00 -1.26 -5.04 105.19 111.60 3lws n GLY 324 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.23 0.73 0.03 1.61 1.13 -1.25 -0.91 117.35 116.47 3lws s TYR 325 Ca 0.00 -1.03 -0.01 0.00 -1.41 0.00 0.00 57.07 54.62 3lws s TYR 325 Cb 0.00 0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.84 3lws s TYR 325 CO 0.00 -1.02 -0.03 0.00 -2.51 0.00 0.00 175.55 171.99 3lws s SER 327 N -2.05 1.89 0.31 0.00 0.01 0.49 -0.69 113.70 113.67 3lws s SER 327 Ca -0.07 -0.98 -0.11 0.00 1.31 0.00 0.00 55.95 56.10 3lws s SER 327 Cb -0.03 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.19 3lws s SER 327 CO -0.05 -0.29 0.57 0.28 0.41 0.00 0.00 173.24 174.17 3lws s THR 328 N -3.10 0.00 -0.01 1.44 -1.32 -0.24 -0.57 115.64 111.84 3lws s THR 328 Ca 0.16 -1.33 0.05 0.00 -1.21 0.00 0.00 61.69 59.36 3lws s THR 328 Cb 0.01 -2.49 -0.03 0.00 -1.51 0.00 0.00 72.50 68.49 3lws s THR 328 CO 0.02 0.00 -0.15 -0.70 -2.21 0.00 0.00 174.62 171.58 3lws s GLU 329 N -3.29 2.34 -0.10 7.08 2.12 -1.26 -0.44 118.70 125.14 3lws s GLU 329 Ca 0.22 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.76 3lws s GLU 329 Cb -0.02 -2.31 0.01 0.00 0.26 0.00 0.00 34.13 32.07 3lws s GLU 329 CO 0.13 0.59 -0.16 0.42 -0.54 0.00 0.00 175.26 175.70 3lws s ILE 330 N -0.84 1.51 -0.14 -3.70 -1.09 -0.18 -4.94 121.20 111.82 3lws s ILE 330 Ca 0.13 -0.66 -0.01 0.00 -2.23 0.00 0.00 60.65 57.89 3lws s ILE 330 Cb -0.11 -1.37 0.04 0.00 -1.58 0.00 0.00 42.46 39.44 3lws s ILE 330 CO 0.03 0.44 -0.05 -0.44 -1.23 0.00 0.00 174.94 173.70 3lws s SER 331 N 0.87 2.48 0.08 3.58 0.01 -1.26 -1.57 113.70 117.89 3lws s SER 331 Ca -0.09 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.38 3lws s SER 331 Cb -0.15 -0.81 -0.06 0.00 0.21 0.00 0.00 66.02 65.21 3lws s SER 331 CO 0.00 -0.17 1.14 -0.69 0.41 0.00 0.00 173.24 173.93 3lws s VAL 332 N 1.71 4.13 0.00 3.43 1.01 0.20 -0.84 120.40 130.04 3lws s VAL 332 Ca 0.03 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.61 3lws s VAL 332 Cb -0.14 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3lws s VAL 332 CO -0.08 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.80 3lws n GLY 333 N 2.85 5.46 0.15 4.51 0.00 -1.16 -4.76 105.19 112.24 3lws n GLY 333 Ca 0.07 -1.23 0.01 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.76 1.61 3.32 -1.77 -3.29 116.42 115.53 3lws h ASP 334 Ca 0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 3lws h ASP 334 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 3lws h ASP 334 CO 0.00 0.53 0.42 0.00 -1.72 0.00 0.00 179.24 178.48 3lws h ALA 335 N 1.47 1.06 -0.72 3.45 0.00 -1.49 -2.60 119.26 120.42 3lws h ALA 335 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3lws h ALA 335 Cb 1.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3lws h ALA 335 CO 0.07 0.07 0.36 -0.92 0.00 0.00 0.00 179.25 178.82 3lws h TYR 336 N 0.73 1.03 0.00 0.00 3.20 -1.60 -1.92 116.97 118.41 3lws h TYR 336 Ca 0.36 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 3lws h TYR 336 Cb 0.31 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3lws h TYR 336 CO -0.07 0.76 -0.00 0.78 -1.64 0.00 0.00 178.16 177.98 3lws h GLY 337 N 1.01 0.00 1.46 1.82 0.00 -1.66 -2.62 103.07 103.08 3lws h GLY 337 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3lws h GLY 337 CO -0.03 0.00 -0.20 1.18 0.00 0.00 0.00 176.54 177.48 3lws n GLU 338 N -3.12 0.11 -3.07 4.80 1.02 -0.72 -4.73 120.64 114.92 3lws n GLU 338 Ca -0.02 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.68 3lws n GLU 338 Cb 0.12 -1.50 -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 -2.92 4.09 1.05 -4.62 1.43 -0.99 -5.06 118.68 111.66 3lws s LEU 339 Ca 0.15 0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 53.93 3lws s LEU 339 Cb 0.19 -2.93 0.22 0.00 0.03 0.00 0.00 46.19 43.69 3lws s LEU 339 CO 0.58 -0.38 1.08 1.51 0.23 0.00 0.00 176.35 179.38 3lws s ASP 340 N 1.38 2.16 0.00 2.29 1.47 -1.26 -4.85 116.67 117.86 3lws s ASP 340 Ca 0.29 1.21 0.14 0.00 1.18 0.00 0.00 52.55 55.37 3lws s ASP 340 Cb -0.16 -1.90 0.73 0.00 -0.34 0.00 0.00 42.92 41.25 3lws s ASP 340 CO 0.09 -3.42 1.33 1.67 0.68 0.00 0.00 175.17 175.52 3lws n GLN 341 N -4.37 0.26 -0.08 2.11 -0.06 -1.26 -2.72 117.38 111.26 3lws n GLN 341 Ca 0.04 0.11 -0.20 0.00 -2.00 0.00 0.00 57.00 54.96 3lws n GLN 341 Cb 0.57 -1.50 -0.13 0.00 -4.06 0.00 0.00 30.24 25.12 3lws n GLN 341 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 3lws n GLN 342 N -1.21 0.69 -0.24 3.69 3.00 -1.26 -3.91 117.38 118.14 3lws n GLN 342 Ca 0.08 0.21 -0.06 0.00 -0.01 0.00 0.00 57.00 57.22 3lws n GLN 342 Cb 0.09 -1.60 0.05 0.00 0.00 0.00 0.00 30.24 28.78 3lws n GLN 342 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 3lws h THR 343 N -0.06 1.21 -0.57 5.09 2.02 -1.88 -1.17 112.91 117.55 3lws h THR 343 Ca -0.52 -0.51 0.10 0.00 0.77 0.00 0.00 66.41 66.25 3lws h THR 343 Cb 1.91 0.32 -0.08 0.00 -1.74 0.00 0.00 68.15 68.57 3lws h THR 343 CO -0.05 0.22 0.15 0.03 0.37 0.00 0.00 175.52 176.25 3lws h ARG 344 N 0.92 0.29 0.02 6.66 3.08 -1.72 -1.19 114.38 122.43 3lws h ARG 344 Ca 0.24 -0.02 -0.26 0.00 0.07 0.00 0.00 59.98 60.01 3lws h ARG 344 Cb 0.03 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.03 3lws h ARG 344 CO -0.04 0.19 -1.05 -0.44 -1.07 0.00 0.00 179.97 177.56 3lws h ASP 345 N 0.30 0.83 -0.90 7.04 3.32 -1.60 1.00 116.42 126.40 3lws h ASP 345 Ca 0.29 -0.68 0.07 0.00 0.02 0.00 0.00 57.03 56.74 3lws h ASP 345 Cb 0.40 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.63 3lws h ASP 345 CO -0.35 1.48 0.56 0.00 -1.72 0.00 0.00 179.24 179.22 3lws h ALA 346 N 0.46 1.27 0.18 3.45 0.00 -1.08 0.92 119.26 124.45 3lws h ALA 346 Ca -0.13 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.47 3lws h ALA 346 Cb 1.70 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 19.28 3lws h ALA 346 CO 0.20 0.29 -1.33 0.78 0.00 0.00 0.00 179.25 179.18 3lws h GLY 347 N 1.00 0.53 1.64 0.00 0.00 -1.05 -2.84 103.07 102.34 3lws h GLY 347 Ca 0.40 -1.27 -0.17 0.00 0.00 0.00 0.00 47.33 46.29 3lws h GLY 347 CO -0.19 1.11 -0.69 0.74 0.00 0.00 0.00 176.54 177.51 3lws h PHE 348 N 0.15 0.47 -0.49 5.60 0.04 -0.72 -1.33 116.94 120.66 3lws h PHE 348 Ca -0.20 -0.20 -0.06 0.00 2.80 0.00 0.00 57.97 60.31 3lws h PHE 348 Cb 2.03 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 40.08 3lws h PHE 348 CO 0.10 0.94 0.06 0.00 -0.60 0.00 0.00 178.31 178.81 3lws h ALA 349 N 1.01 1.20 -0.04 2.45 0.00 -0.89 0.64 119.26 123.62 3lws h ALA 349 Ca -0.02 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 3lws h ALA 349 Cb 1.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3lws h ALA 349 CO 0.12 0.54 -0.78 -0.09 0.00 0.00 0.00 179.25 179.04 3lws h ARG 350 N 0.73 0.30 -0.23 0.00 9.65 -1.47 -2.03 114.38 121.34 3lws h ARG 350 Ca 0.15 -0.27 -0.02 0.00 -1.10 0.00 0.00 59.98 58.74 3lws h ARG 350 Cb 0.35 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 3lws h ARG 350 CO 0.01 0.94 0.06 1.25 2.80 0.00 0.00 179.97 185.03 3lws h LEU 351 N 0.20 0.34 -1.84 3.80 5.85 -0.84 -2.72 115.31 120.11 3lws h LEU 351 Ca -0.04 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 3lws h LEU 351 Cb 1.36 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 3lws h LEU 351 CO 0.13 0.47 -0.14 -0.09 -0.34 0.00 0.00 178.44 178.47 3lws h ARG 352 N 0.20 0.00 0.00 1.25 2.43 0.36 0.20 114.38 118.82 3lws h ARG 352 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3lws h ARG 352 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3lws h ARG 352 CO -0.00 0.14 0.00 1.96 -1.51 0.00 0.00 179.97 180.56 3lws h GLN 353 N 0.00 0.00 0.00 0.20 4.20 -1.30 -3.24 115.11 114.97 3lws h GLN 353 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3lws h GLN 353 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3lws h GLN 353 CO 0.02 0.00 -0.38 0.00 -0.67 0.00 0.00 178.83 177.80 3lws h ALA 354 N 2.06 0.77 0.00 3.87 0.00 -0.30 -3.51 119.26 122.15 3lws h ALA 354 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3lws h ALA 354 Cb 0.78 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3lws h ALA 354 CO 0.00 0.47 0.00 1.19 0.00 0.00 0.00 179.25 180.91