#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvw s THR 2 N 0.00 4.26 -0.10 3.17 2.01 -1.23 -4.84 115.64 118.91 1nvw s THR 2 Ca 0.00 0.96 0.02 0.00 0.31 0.00 0.00 61.69 62.98 1nvw s THR 2 Cb 0.00 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 1nvw s THR 2 CO 0.00 -0.74 -0.18 -0.70 -0.69 0.00 0.00 174.62 172.31 1nvw s GLU 3 N -4.42 3.08 0.00 4.92 2.12 -1.26 -1.20 118.70 121.94 1nvw s GLU 3 Ca 0.60 -0.78 0.06 0.00 0.36 0.00 0.00 54.97 55.21 1nvw s GLU 3 Cb -0.13 -2.44 -0.03 0.00 0.26 0.00 0.00 34.13 31.80 1nvw s GLU 3 CO 0.41 0.27 -0.18 0.71 -0.54 0.00 0.00 175.26 175.92 1nvw s TYR 4 N 0.17 2.57 -0.41 5.30 2.02 -0.45 -4.96 117.35 121.58 1nvw s TYR 4 Ca -0.10 -0.25 -0.05 0.00 -0.37 0.00 0.00 57.07 56.30 1nvw s TYR 4 Cb -0.16 -1.52 0.11 0.00 -0.40 0.00 0.00 41.96 39.99 1nvw s TYR 4 CO 0.06 0.19 0.22 0.15 -1.57 0.00 0.00 175.55 174.60 1nvw s LYS 5 N -1.09 2.17 -0.05 -0.62 1.02 -1.26 -0.75 119.74 119.17 1nvw s LYS 5 Ca 0.13 -1.74 -0.05 0.00 0.02 0.00 0.00 55.97 54.33 1nvw s LYS 5 Cb -0.10 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 1nvw s LYS 5 CO 0.03 -1.06 0.18 -0.51 -0.92 0.00 0.00 175.35 173.07 1nvw s LEU 6 N 1.22 4.38 -0.06 3.17 1.43 0.05 -0.74 118.68 128.13 1nvw s LEU 6 Ca 0.06 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 1nvw s LEU 6 Cb -0.23 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.58 1nvw s LEU 6 CO -0.03 0.32 -0.15 -0.69 0.23 0.00 0.00 176.35 176.03 1nvw s VAL 7 N -1.20 1.29 -0.32 -1.59 1.01 -0.63 -0.93 120.40 118.03 1nvw s VAL 7 Ca 0.23 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1nvw s VAL 7 Cb -0.13 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1nvw s VAL 7 CO 0.13 0.38 0.14 -0.69 0.00 0.00 0.00 175.10 175.06 1nvw s VAL 8 N 0.42 4.37 0.32 2.92 1.01 -0.41 -0.58 120.40 128.45 1nvw s VAL 8 Ca -0.11 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.36 1nvw s VAL 8 Cb -0.14 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.90 1nvw s VAL 8 CO 0.04 0.02 -0.09 0.68 0.00 0.00 0.00 175.10 175.75 1nvw s VAL 9 N 1.56 2.06 0.00 2.92 -7.23 0.15 -3.03 120.40 116.83 1nvw s VAL 9 Ca 0.03 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 1nvw s VAL 9 Cb -0.17 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1nvw s VAL 9 CO 0.05 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 1nvw n GLY 10 N -0.72 4.04 3.47 2.32 0.00 -1.26 -1.01 105.19 112.02 1nvw n GLY 10 Ca -0.05 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 1nvw n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvw n ALA 11 N -1.78 -1.21 -1.78 4.61 0.00 -1.26 -4.02 120.51 115.08 1nvw n ALA 11 Ca 0.00 0.07 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 1nvw n ALA 11 Cb 0.00 -1.82 -0.01 0.00 0.00 0.00 0.00 19.45 17.63 1nvw n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nvw s GLY 12 N -1.04 2.79 0.00 0.00 0.00 -1.22 -2.80 107.32 105.06 1nvw s GLY 12 Ca 0.66 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.91 1nvw s GLY 12 CO 0.56 2.27 0.00 0.61 0.00 0.00 0.00 173.10 176.55 1nvw n GLY 13 N 0.83 1.63 0.28 0.20 0.00 -1.26 -4.92 105.19 101.96 1nvw n GLY 13 Ca 0.02 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.20 1nvw n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1nvw h VAL 14 N 0.00 0.26 0.00 1.61 -1.51 -1.87 -3.46 116.25 111.27 1nvw h VAL 14 Ca 0.00 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1nvw h VAL 14 Cb 0.00 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1nvw h VAL 14 CO 0.00 0.07 0.00 0.61 -1.23 0.00 0.00 177.57 177.02 1nvw n GLY 15 N -0.39 1.66 0.26 5.19 0.00 -1.26 -4.43 105.19 106.21 1nvw n GLY 15 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 1nvw n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvw h LYS 16 N 0.26 0.41 -0.24 1.61 1.57 -1.90 -0.67 116.57 117.61 1nvw h LYS 16 Ca 0.00 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 1nvw h LYS 16 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1nvw h LYS 16 CO 0.00 0.27 -0.59 0.77 -0.57 0.00 0.00 179.45 179.34 1nvw h SER 17 N 0.42 0.94 -0.35 0.86 0.02 -1.96 -2.86 113.55 110.62 1nvw h SER 17 Ca 0.36 -0.56 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1nvw h SER 17 Cb 0.50 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1nvw h SER 17 CO -0.36 1.33 0.22 0.00 -1.14 0.00 0.00 176.83 176.87 1nvw h ALA 18 N 0.63 0.45 -0.51 3.77 0.00 -1.77 -0.51 119.26 121.32 1nvw h ALA 18 Ca -0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1nvw h ALA 18 Cb 1.20 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1nvw h ALA 18 CO 0.13 -0.07 0.27 -0.07 0.00 0.00 0.00 179.25 179.52 1nvw h LEU 19 N 0.46 0.41 -0.43 0.00 3.38 -1.17 -0.82 115.31 117.14 1nvw h LEU 19 Ca 0.13 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1nvw h LEU 19 Cb -0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1nvw h LEU 19 CO -0.02 0.29 0.04 0.74 0.09 0.00 0.00 178.44 179.57 1nvw h THR 20 N 0.54 1.25 0.00 0.22 2.02 -1.23 -1.37 112.91 114.34 1nvw h THR 20 Ca 0.22 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 1nvw h THR 20 Cb 0.10 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1nvw h THR 20 CO -0.14 0.33 -0.24 0.40 0.37 0.00 0.00 175.52 176.24 1nvw h ILE 21 N 0.59 0.58 -0.20 3.11 2.04 -0.91 0.06 117.51 122.78 1nvw h ILE 21 Ca 0.13 -1.17 -0.20 0.00 1.00 0.00 0.00 64.86 64.61 1nvw h ILE 21 Cb 0.43 1.79 0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1nvw h ILE 21 CO 0.01 0.23 -0.66 -0.61 0.00 0.00 0.00 178.15 177.13 1nvw h GLN 22 N 0.00 0.80 -0.17 2.37 5.75 -0.91 0.53 115.11 123.48 1nvw h GLN 22 Ca -0.00 -0.60 -0.04 0.00 -0.15 0.00 0.00 58.65 57.86 1nvw h GLN 22 Cb 0.78 0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.43 1nvw h GLN 22 CO 0.03 1.21 -0.06 1.25 -2.65 0.00 0.00 178.83 178.61 1nvw h LEU 23 N 0.55 0.35 -0.13 -2.39 5.85 -0.80 -0.68 115.31 118.06 1nvw h LEU 23 Ca -0.03 -0.39 -0.24 0.00 0.84 0.00 0.00 57.88 58.07 1nvw h LEU 23 Cb 1.28 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.23 1nvw h LEU 23 CO 0.14 0.66 -0.91 0.40 -0.34 0.00 0.00 178.44 178.39 1nvw h ILE 24 N 0.03 1.32 0.00 4.05 1.08 -1.02 -3.39 117.51 119.58 1nvw h ILE 24 Ca 0.04 -2.21 0.00 0.00 -0.39 0.00 0.00 64.86 62.30 1nvw h ILE 24 Cb 0.52 2.25 0.00 0.00 -3.07 0.00 0.00 36.82 36.52 1nvw h ILE 24 CO 0.02 0.68 0.00 0.00 -0.69 0.00 0.00 178.15 178.16 1nvw n GLN 25 N -3.85 5.53 -3.20 2.37 6.02 0.17 -5.00 117.38 119.42 1nvw n GLN 25 Ca -0.08 -0.09 -0.21 0.00 -0.01 0.00 0.00 57.00 56.61 1nvw n GLN 25 Cb 0.81 -0.59 0.05 0.00 1.02 0.00 0.00 30.24 31.54 1nvw n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1nvw n ASN 26 N -0.81 -5.88 -4.05 1.08 4.13 -0.26 -4.99 115.26 104.47 1nvw n ASN 26 Ca 0.00 -0.36 -0.22 0.00 1.68 0.00 0.00 54.58 55.67 1nvw n ASN 26 Cb 0.00 -4.61 -0.16 0.00 -1.54 0.00 0.00 39.78 33.47 1nvw n ASN 26 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1nvw s HIS 27 N -3.20 1.21 -0.36 3.10 5.65 -1.24 -5.01 115.29 115.43 1nvw s HIS 27 Ca 0.39 -0.31 -0.13 0.00 0.25 0.00 0.00 55.06 55.26 1nvw s HIS 27 Cb -0.17 -0.83 -0.00 0.00 -1.18 0.00 0.00 32.58 30.40 1nvw s HIS 27 CO 0.49 -0.11 0.26 0.12 -0.65 0.00 0.00 174.74 174.85 1nvw s PHE 28 N 0.07 3.23 -0.41 3.88 5.99 -1.26 -3.35 117.98 126.12 1nvw s PHE 28 Ca -0.02 -0.39 -0.28 0.00 0.00 0.00 0.00 56.93 56.24 1nvw s PHE 28 Cb -0.09 -2.51 -0.00 0.00 0.00 0.00 0.00 43.02 40.42 1nvw s PHE 28 CO 0.01 -0.46 1.61 0.08 -0.00 0.00 0.00 175.22 176.46 1nvw s VAL 29 N 1.70 3.67 -0.44 3.12 1.01 -1.26 -4.88 120.40 123.31 1nvw s VAL 29 Ca 0.05 0.65 0.23 0.00 0.00 0.00 0.00 61.98 62.92 1nvw s VAL 29 Cb -0.18 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.28 1nvw s VAL 29 CO 0.10 -0.67 1.23 -0.78 0.00 0.00 0.00 175.10 174.98 1nvw h ASP 30 N 12.02 0.00 -1.93 3.32 3.58 -2.01 -3.47 116.42 127.93 1nvw h ASP 30 Ca -0.30 -0.09 -0.44 0.00 0.42 0.00 0.00 57.03 56.62 1nvw h ASP 30 Cb 1.13 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.20 1nvw h ASP 30 CO 1.09 0.05 -0.26 -1.83 -2.88 0.00 0.00 179.24 175.40 1nvw s GLU 31 N -3.26 3.00 -0.24 0.28 1.03 -1.26 -5.09 118.70 113.16 1nvw s GLU 31 Ca 0.03 -0.96 -0.09 0.00 0.03 0.00 0.00 54.97 53.98 1nvw s GLU 31 Cb 0.11 -2.74 -0.04 0.00 -0.80 0.00 0.00 34.13 30.66 1nvw s GLU 31 CO 0.75 -0.13 0.13 -0.47 -1.33 0.00 0.00 175.26 174.21 1nvw s TYR 32 N -2.32 3.24 -0.30 4.83 6.14 -1.26 -5.04 117.35 122.64 1nvw s TYR 32 Ca 0.49 0.06 -0.03 0.00 0.64 0.00 0.00 57.07 58.23 1nvw s TYR 32 Cb -0.10 -2.25 0.11 0.00 0.42 0.00 0.00 41.96 40.15 1nvw s TYR 32 CO 0.33 -0.03 0.16 -0.51 0.64 0.00 0.00 175.55 176.15 1nvw s ASP 33 N 1.15 3.20 0.11 4.32 1.01 -1.26 -5.13 116.67 120.06 1nvw s ASP 33 Ca 0.06 -1.34 -0.35 0.00 0.71 0.00 0.00 52.55 51.63 1nvw s ASP 33 Cb -0.14 -0.24 -0.17 0.00 1.01 0.00 0.00 42.92 43.38 1nvw s ASP 33 CO 0.05 -0.41 1.10 -2.65 0.21 0.00 0.00 175.17 173.47 1nvw n PRO 34 N 5.09 0.70 -3.47 8.23 -0.02 -1.26 -4.97 135.00 139.30 1nvw n PRO 34 Ca -0.03 0.25 -0.36 0.00 -2.02 0.00 0.00 63.50 61.34 1nvw n PRO 34 Cb 0.42 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 32.12 1nvw n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1nvw s THR 35 N -0.08 4.98 -0.15 3.45 2.01 -1.26 -4.98 115.64 119.61 1nvw s THR 35 Ca 0.80 0.75 -0.10 0.00 0.31 0.00 0.00 61.69 63.45 1nvw s THR 35 Cb -1.00 -3.71 -0.07 0.00 0.01 0.00 0.00 72.50 67.73 1nvw s THR 35 CO 0.53 0.41 -0.23 -0.38 -0.69 0.00 0.00 174.62 174.26 1nvw n ILE 36 N 1.28 1.09 -3.25 1.82 5.41 -1.26 -4.04 119.36 120.41 1nvw n ILE 36 Ca -0.10 -0.11 0.03 0.00 1.00 0.00 0.00 62.75 63.58 1nvw n ILE 36 Cb 0.52 -1.84 -0.03 0.00 -0.71 0.00 0.00 39.64 37.58 1nvw n ILE 36 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1nvw s GLU 37 N -2.40 0.15 0.08 0.38 -1.05 -1.26 -3.96 118.70 110.64 1nvw s GLU 37 Ca -0.23 0.34 0.03 0.00 -0.15 0.00 0.00 54.97 54.96 1nvw s GLU 37 Cb 0.08 0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.94 1nvw s GLU 37 CO 0.30 -0.07 -0.09 -0.51 0.95 0.00 0.00 175.26 175.84 1nvw s ASP 38 N 2.39 1.25 0.02 0.83 1.01 -0.76 -5.02 116.67 116.39 1nvw s ASP 38 Ca -0.01 -0.78 0.04 0.00 0.71 0.00 0.00 52.55 52.50 1nvw s ASP 38 Cb -0.05 0.03 -0.01 0.00 1.01 0.00 0.00 42.92 43.90 1nvw s ASP 38 CO -0.15 -0.28 -0.11 -0.55 0.21 0.00 0.00 175.17 174.28 1nvw s SER 39 N -2.34 1.30 0.03 0.27 0.15 -1.26 -0.59 113.70 111.26 1nvw s SER 39 Ca 0.03 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.37 1nvw s SER 39 Cb -0.03 -0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 64.16 1nvw s SER 39 CO -0.01 0.05 -0.06 -0.31 1.20 0.00 0.00 173.24 174.11 1nvw s TYR 40 N -0.60 0.53 -0.02 3.44 1.51 -0.15 -4.99 117.35 117.06 1nvw s TYR 40 Ca 0.01 -0.42 0.07 0.00 -1.01 0.00 0.00 57.07 55.73 1nvw s TYR 40 Cb -0.06 -0.33 -0.02 0.00 -0.11 0.00 0.00 41.96 41.45 1nvw s TYR 40 CO 0.00 -0.09 -0.25 0.50 -1.11 0.00 0.00 175.55 174.61 1nvw s ARG 41 N -1.25 2.05 -0.15 -0.62 6.06 -1.26 -0.41 118.95 123.38 1nvw s ARG 41 Ca -0.09 -0.88 -0.06 0.00 -2.50 0.00 0.00 55.73 52.20 1nvw s ARG 41 Cb -0.08 -1.96 0.07 0.00 0.06 0.00 0.00 34.95 33.04 1nvw s ARG 41 CO 0.00 0.52 0.32 0.21 -2.50 0.00 0.00 175.30 173.84 1nvw s LYS 42 N -0.54 0.23 -0.22 5.12 2.20 -0.33 -4.99 119.74 121.20 1nvw s LYS 42 Ca 0.08 0.79 -0.17 0.00 -0.36 0.00 0.00 55.97 56.32 1nvw s LYS 42 Cb -0.10 0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.23 1nvw s LYS 42 CO -0.01 -0.24 0.44 -1.14 -0.36 0.00 0.00 175.35 174.04 1nvw s GLN 43 N 2.17 4.13 -0.01 4.03 0.74 -1.26 -0.16 119.66 129.29 1nvw s GLN 43 Ca -0.02 0.24 -0.13 0.00 0.05 0.00 0.00 55.36 55.49 1nvw s GLN 43 Cb -0.11 -3.58 0.02 0.00 1.10 0.00 0.00 33.01 30.43 1nvw s GLN 43 CO -0.10 -0.16 0.27 0.54 -0.55 0.00 0.00 175.29 175.29 1nvw s VAL 44 N 1.70 0.06 -0.40 1.34 0.11 -0.46 -4.99 120.40 117.76 1nvw s VAL 44 Ca 0.20 -0.51 -0.16 0.00 -2.93 0.00 0.00 61.98 58.58 1nvw s VAL 44 Cb -0.15 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1nvw s VAL 44 CO 0.09 -0.28 0.37 -0.69 -3.33 0.00 0.00 175.10 171.26 1nvw s VAL 45 N -1.31 5.17 -0.15 2.04 1.01 -1.26 -0.09 120.40 125.81 1nvw s VAL 45 Ca -0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1nvw s VAL 45 Cb -0.06 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1nvw s VAL 45 CO 0.04 -0.30 -0.11 -0.63 0.00 0.00 0.00 175.10 174.10 1nvw s ILE 46 N 1.95 3.21 -1.29 2.22 1.01 -0.12 -4.66 121.20 123.52 1nvw s ILE 46 Ca 0.09 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 1nvw s ILE 46 Cb -0.18 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.92 1nvw s ILE 46 CO 0.12 0.51 0.57 0.47 0.00 0.00 0.00 174.94 176.61 1nvw n ASP 47 N 3.71 -2.41 -0.10 3.58 8.00 -1.26 -0.94 116.55 127.14 1nvw n ASP 47 Ca -0.18 -1.03 -0.01 0.00 0.71 0.00 0.00 54.79 54.27 1nvw n ASP 47 Cb 0.52 -3.07 -0.01 0.00 -0.02 0.00 0.00 41.12 38.55 1nvw n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nvw n GLY 48 N -1.88 0.14 3.13 0.44 0.00 -1.26 -4.96 105.19 100.80 1nvw n GLY 48 Ca -0.22 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1nvw n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nvw s GLU 49 N -2.03 2.60 -0.12 1.61 2.12 -0.12 -5.11 118.70 117.66 1nvw s GLU 49 Ca 0.00 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.32 1nvw s GLU 49 Cb 0.00 -2.07 -0.02 0.00 0.26 0.00 0.00 34.13 32.30 1nvw s GLU 49 CO 0.00 0.05 1.26 0.99 -0.54 0.00 0.00 175.26 177.02 1nvw s THR 50 N 0.66 4.24 0.23 -1.70 2.01 -1.26 -0.94 115.64 118.87 1nvw s THR 50 Ca -0.13 1.53 0.11 0.00 0.31 0.00 0.00 61.69 63.50 1nvw s THR 50 Cb -0.16 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 1nvw s THR 50 CO 0.03 -0.09 -0.14 0.00 -0.69 0.00 0.00 174.62 173.73 1nvw s LEU 52 N -3.17 4.14 -0.11 0.00 2.96 -0.34 -1.35 118.68 120.81 1nvw s LEU 52 Ca 0.27 -1.88 -0.23 0.00 -0.22 0.00 0.00 54.13 52.07 1nvw s LEU 52 Cb -0.07 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 1nvw s LEU 52 CO 0.15 -0.33 0.69 -0.76 -1.32 0.00 0.00 176.35 174.78 1nvw s LEU 53 N 1.03 4.27 -0.33 -0.68 1.02 0.77 -1.34 118.68 123.42 1nvw s LEU 53 Ca 0.05 1.10 -0.05 0.00 0.02 0.00 0.00 54.13 55.25 1nvw s LEU 53 Cb -0.19 -3.04 0.04 0.00 0.02 0.00 0.00 46.19 43.02 1nvw s LEU 53 CO -0.09 -0.17 0.08 -1.81 0.02 0.00 0.00 176.35 174.38 1nvw s ASP 54 N 0.90 5.22 -0.26 2.29 1.01 0.07 -1.19 116.67 124.72 1nvw s ASP 54 Ca 0.35 -1.16 -0.06 0.00 0.71 0.00 0.00 52.55 52.39 1nvw s ASP 54 Cb -0.17 -1.83 -0.01 0.00 1.01 0.00 0.00 42.92 41.92 1nvw s ASP 54 CO 0.15 -0.31 0.04 -0.63 0.21 0.00 0.00 175.17 174.64 1nvw s ILE 55 N 1.37 3.94 -0.35 0.77 1.01 0.46 -0.77 121.20 127.62 1nvw s ILE 55 Ca -0.02 -0.43 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 1nvw s ILE 55 Cb -0.20 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1nvw s ILE 55 CO 0.02 0.28 0.29 -0.22 0.00 0.00 0.00 174.94 175.31 1nvw s LEU 56 N 1.54 4.57 -0.28 2.97 2.96 -0.10 -0.98 118.68 129.36 1nvw s LEU 56 Ca 0.05 -0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 53.36 1nvw s LEU 56 Cb -0.16 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 1nvw s LEU 56 CO 0.01 -0.30 0.50 -0.62 -1.32 0.00 0.00 176.35 174.62 1nvw s ASP 57 N 1.73 6.39 0.56 3.68 2.15 0.25 -1.29 116.67 130.13 1nvw s ASP 57 Ca 0.08 0.38 0.07 0.00 0.43 0.00 0.00 52.55 53.52 1nvw s ASP 57 Cb -0.17 -2.27 0.07 0.00 -0.30 0.00 0.00 42.92 40.25 1nvw s ASP 57 CO 0.11 -0.32 0.77 0.42 -0.17 0.00 0.00 175.17 175.97 1nvw s THR 58 N 2.31 2.39 -0.26 1.71 -4.23 -1.17 -1.83 115.64 114.57 1nvw s THR 58 Ca 0.20 -0.92 -0.18 0.00 -1.18 0.00 0.00 61.69 59.62 1nvw s THR 58 Cb -0.16 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 1nvw s THR 58 CO 0.10 0.00 0.50 0.00 -0.54 0.00 0.00 174.62 174.69 1nvw s ALA 59 N -2.66 3.59 0.24 3.99 0.00 -1.25 -4.75 121.76 120.90 1nvw s ALA 59 Ca 0.60 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 1nvw s ALA 59 Cb -0.07 -2.87 0.25 0.00 0.00 0.00 0.00 23.12 20.43 1nvw s ALA 59 CO 0.38 -0.72 1.71 0.78 0.00 0.00 0.00 175.76 177.91 1nvw h GLY 60 N 8.72 0.90 -5.58 0.00 0.00 -1.81 -3.43 103.07 101.87 1nvw h GLY 60 Ca -0.29 -0.65 -0.39 0.00 0.00 0.00 0.00 47.33 46.00 1nvw h GLY 60 CO 0.71 0.60 1.42 -1.06 0.00 0.00 0.00 176.54 178.21 1nvw n GLN 61 N -4.18 0.00 0.00 4.80 1.13 -1.26 -3.37 117.38 114.50 1nvw n GLN 61 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1nvw n GLN 61 Cb 0.34 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.53 1nvw n GLN 61 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1nvw n GLU 62 N 6.59 0.15 -2.09 -1.09 1.02 -1.26 -3.31 120.64 120.65 1nvw n GLU 62 Ca 0.53 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.39 1nvw n GLU 62 Cb 0.03 -1.00 0.02 0.00 -0.02 0.00 0.00 31.44 30.47 1nvw n GLU 62 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nvw n GLU 63 N -0.46 3.34 -3.32 3.49 1.02 -1.26 -4.83 120.64 118.62 1nvw n GLU 63 Ca 0.00 -4.11 -0.25 0.00 -0.02 0.00 0.00 57.16 52.77 1nvw n GLU 63 Cb 0.00 -2.27 -0.09 0.00 -0.02 0.00 0.00 31.44 29.06 1nvw n GLU 63 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1nvw n TYR 64 N -0.64 -0.94 -0.69 -0.32 4.02 -1.21 -5.13 117.16 112.26 1nvw n TYR 64 Ca 0.46 -3.28 -0.07 0.00 -0.01 0.00 0.00 57.90 55.00 1nvw n TYR 64 Cb 0.74 0.19 0.06 0.00 -0.02 0.00 0.00 39.34 40.30 1nvw n TYR 64 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1nvw n SER 65 N 2.53 -1.10 0.00 7.72 7.64 -1.26 -3.82 113.62 125.33 1nvw n SER 65 Ca 0.28 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.45 1nvw n SER 65 Cb 0.49 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1nvw n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nvw n ALA 66 N -3.39 0.00 0.20 -0.43 0.00 -1.26 -4.00 120.51 111.62 1nvw n ALA 66 Ca -0.05 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.56 1nvw n ALA 66 Cb 0.13 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.39 1nvw n ALA 66 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1nvw h MET 67 N 0.00 0.00 0.00 0.00 2.07 -2.01 -3.08 114.93 111.91 1nvw h MET 67 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1nvw h MET 67 Cb 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1nvw h MET 67 CO 0.00 0.00 0.00 0.54 1.07 0.00 0.00 176.91 178.52 1nvw n ARG 68 N -3.92 0.00 -0.41 1.72 1.74 -1.25 -3.00 116.66 111.54 1nvw n ARG 68 Ca 0.02 0.26 0.39 0.00 -0.77 0.00 0.00 57.85 57.75 1nvw n ARG 68 Cb 0.31 -1.16 0.65 0.00 -1.02 0.00 0.00 32.46 31.24 1nvw n ARG 68 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1nvw h ASP 69 N 0.00 0.00 -0.63 0.55 5.19 -1.92 0.23 116.42 119.85 1nvw h ASP 69 Ca 0.00 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 1nvw h ASP 69 Cb 0.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 1nvw h ASP 69 CO 0.00 0.00 0.37 1.56 -3.12 0.00 0.00 179.24 178.05 1nvw h GLN 70 N 0.00 0.70 0.00 3.56 4.20 -1.44 -3.12 115.11 119.01 1nvw h GLN 70 Ca 0.66 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.33 1nvw h GLN 70 Cb 3.10 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 30.72 1nvw h GLN 70 CO -0.01 0.47 -1.38 2.48 -0.67 0.00 0.00 178.83 179.72 1nvw n TYR 71 N -4.74 0.62 1.04 2.96 0.18 0.06 -3.99 117.16 113.28 1nvw n TYR 71 Ca 0.06 0.18 0.13 0.00 1.88 0.00 0.00 57.90 60.15 1nvw n TYR 71 Cb 0.10 -0.80 0.60 0.00 -0.38 0.00 0.00 39.34 38.87 1nvw n TYR 71 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 1nvw n MET 72 N -2.53 0.14 -0.05 -3.48 2.81 -1.16 -3.17 117.12 109.67 1nvw n MET 72 Ca -0.02 0.04 -0.15 0.00 -1.81 0.00 0.00 57.70 55.76 1nvw n MET 72 Cb 0.56 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.51 1nvw n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nvw h ARG 73 N 0.00 0.66 0.05 0.03 2.47 -1.67 -3.35 114.38 112.57 1nvw h ARG 73 Ca 0.00 -0.45 -0.30 0.00 -1.26 0.00 0.00 59.98 57.97 1nvw h ARG 73 Cb 0.38 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.73 1nvw h ARG 73 CO 0.00 1.07 -1.64 1.79 0.56 0.00 0.00 179.97 181.75 1nvw h THR 74 N 0.34 0.97 -3.84 2.04 1.35 -1.80 -3.48 112.91 108.50 1nvw h THR 74 Ca -0.00 -2.73 -0.55 0.00 -0.55 0.00 0.00 66.41 62.57 1nvw h THR 74 Cb 1.08 2.57 0.12 0.00 -1.73 0.00 0.00 68.15 70.19 1nvw h THR 74 CO 0.10 0.70 0.64 0.61 -0.25 0.00 0.00 175.52 177.32 1nvw n GLY 75 N 1.64 0.88 0.08 5.82 0.00 -1.19 -4.92 105.19 107.50 1nvw n GLY 75 Ca -0.18 0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1nvw n GLY 75 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nvw n GLU 76 N -0.11 3.41 -3.80 1.61 0.28 0.09 -4.98 120.64 117.13 1nvw n GLU 76 Ca 0.05 -0.24 -0.12 0.00 -0.16 0.00 0.00 57.16 56.69 1nvw n GLU 76 Cb 0.41 -0.95 -0.11 0.00 1.43 0.00 0.00 31.44 32.22 1nvw n GLU 76 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1nvw s GLY 77 N -1.53 -0.14 -0.02 -1.84 0.00 -0.98 -4.21 107.32 98.60 1nvw s GLY 77 Ca 0.05 0.52 0.05 0.00 0.00 0.00 0.00 44.72 45.34 1nvw s GLY 77 CO 0.28 0.41 -0.17 -1.36 0.00 0.00 0.00 173.10 172.26 1nvw s PHE 78 N -0.22 1.60 -0.39 1.90 0.40 0.16 -1.60 117.98 119.82 1nvw s PHE 78 Ca -0.03 -0.36 -0.10 0.00 -0.60 0.00 0.00 56.93 55.84 1nvw s PHE 78 Cb -0.03 -1.05 0.05 0.00 0.51 0.00 0.00 43.02 42.50 1nvw s PHE 78 CO 0.01 -0.07 0.21 -1.17 0.70 0.00 0.00 175.22 174.89 1nvw s LEU 79 N -0.25 4.82 -0.45 -0.37 2.96 0.26 -1.59 118.68 124.06 1nvw s LEU 79 Ca 0.03 -1.20 -0.18 0.00 -0.22 0.00 0.00 54.13 52.56 1nvw s LEU 79 Cb -0.08 -1.99 0.04 0.00 0.50 0.00 0.00 46.19 44.66 1nvw s LEU 79 CO 0.00 -0.43 0.52 0.00 -1.32 0.00 0.00 176.35 175.12 1nvw s VAL 81 N 2.34 4.51 0.03 0.00 1.01 -0.18 -0.15 120.40 127.95 1nvw s VAL 81 Ca 0.14 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 1nvw s VAL 81 Cb -0.18 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.11 1nvw s VAL 81 CO 0.13 0.21 0.37 0.72 0.00 0.00 0.00 175.10 176.54 1nvw s PHE 82 N -1.30 -0.21 -0.06 5.22 -0.12 -0.33 -4.11 117.98 117.07 1nvw s PHE 82 Ca 0.26 0.18 -0.13 0.00 -0.05 0.00 0.00 56.93 57.19 1nvw s PHE 82 Cb -0.12 0.17 -0.05 0.00 -0.63 0.00 0.00 43.02 42.38 1nvw s PHE 82 CO 0.18 -0.52 0.33 0.00 -0.05 0.00 0.00 175.22 175.16 1nvw s ALA 83 N -2.27 3.71 -1.65 1.99 0.00 -1.26 0.21 121.76 122.48 1nvw s ALA 83 Ca -0.07 -0.35 0.11 0.00 0.00 0.00 0.00 51.96 51.65 1nvw s ALA 83 Cb -0.01 -2.31 0.58 0.00 0.00 0.00 0.00 23.12 21.37 1nvw s ALA 83 CO -0.01 0.42 1.17 0.44 0.00 0.00 0.00 175.76 177.78 1nvw n ILE 84 N 2.26 0.46 -1.05 0.00 -5.35 -0.35 -1.69 119.36 113.63 1nvw n ILE 84 Ca -0.15 0.11 0.10 0.00 -0.27 0.00 0.00 62.75 62.55 1nvw n ILE 84 Cb 0.53 -0.94 0.16 0.00 -1.74 0.00 0.00 39.64 37.64 1nvw n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1nvw n ASN 85 N -1.17 2.57 -3.58 7.28 6.94 -1.26 -0.96 115.26 125.07 1nvw n ASN 85 Ca 0.06 -3.07 -0.29 0.00 -0.02 0.00 0.00 54.58 51.26 1nvw n ASN 85 Cb 0.07 -0.44 -0.13 0.00 -2.36 0.00 0.00 39.78 36.92 1nvw n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1nvw s ASN 86 N -2.73 3.32 0.49 0.53 3.84 -0.68 -4.78 114.94 114.94 1nvw s ASN 86 Ca 0.33 -2.34 0.16 0.00 0.21 0.00 0.00 52.86 51.22 1nvw s ASN 86 Cb 0.29 -0.70 1.19 0.00 -0.55 0.00 0.00 41.25 41.48 1nvw s ASN 86 CO 0.04 -0.30 2.09 0.74 -2.79 0.00 0.00 177.10 176.89 1nvw h THR 87 N 5.20 0.97 -0.18 -5.21 2.02 -1.86 -1.65 112.91 112.20 1nvw h THR 87 Ca 0.02 -0.05 -0.11 0.00 0.77 0.00 0.00 66.41 67.03 1nvw h THR 87 Cb 0.95 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1nvw h THR 87 CO 0.37 0.03 -0.38 0.50 0.37 0.00 0.00 175.52 176.40 1nvw h LYS 88 N 0.14 0.40 -0.18 6.66 3.11 -1.94 -2.21 116.57 122.55 1nvw h LYS 88 Ca 0.09 -0.19 -0.10 0.00 -2.81 0.00 0.00 60.65 57.64 1nvw h LYS 88 Cb 0.19 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.41 1nvw h LYS 88 CO -0.01 0.73 -0.35 0.66 -2.81 0.00 0.00 179.45 177.67 1nvw h SER 89 N 0.34 0.38 -0.22 4.20 4.64 -1.64 -2.52 113.55 118.72 1nvw h SER 89 Ca 0.03 -0.15 -0.16 0.00 -0.47 0.00 0.00 61.79 61.05 1nvw h SER 89 Cb 0.83 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1nvw h SER 89 CO 0.07 0.71 -0.43 0.15 -0.87 0.00 0.00 176.83 176.45 1nvw h PHE 90 N 0.32 0.94 0.00 4.77 3.57 -1.28 -2.87 116.94 122.39 1nvw h PHE 90 Ca 0.04 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1nvw h PHE 90 Cb 0.76 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1nvw h PHE 90 CO 0.02 1.07 0.00 0.39 -2.23 0.00 0.00 178.31 177.56 1nvw n GLU 91 N -4.03 0.26 0.04 1.11 1.02 -0.85 -2.25 120.64 115.93 1nvw n GLU 91 Ca -0.02 0.09 0.11 0.00 -0.02 0.00 0.00 57.16 57.32 1nvw n GLU 91 Cb 0.56 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.49 1nvw n GLU 91 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1nvw n ASP 92 N -1.32 0.60 -0.20 1.62 8.00 -0.98 -4.38 116.55 119.89 1nvw n ASP 92 Ca 0.09 -0.09 0.01 0.00 0.71 0.00 0.00 54.79 55.51 1nvw n ASP 92 Cb 0.19 0.80 0.10 0.00 -0.02 0.00 0.00 41.12 42.18 1nvw n ASP 92 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1nvw h ILE 93 N 0.00 0.51 -0.08 0.53 1.08 -1.45 -0.31 117.51 117.79 1nvw h ILE 93 Ca 0.00 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1nvw h ILE 93 Cb 0.79 0.38 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1nvw h ILE 93 CO 0.00 0.02 0.06 1.12 -0.69 0.00 0.00 178.15 178.66 1nvw h HIS 94 N 0.12 0.08 0.28 1.37 2.07 -1.79 -1.72 115.15 115.56 1nvw h HIS 94 Ca 0.31 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.82 1nvw h HIS 94 Cb 0.50 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.46 1nvw h HIS 94 CO -0.35 0.05 -0.13 1.96 -3.07 0.00 0.00 177.93 176.38 1nvw h GLN 95 N 0.08 -0.36 -0.62 5.12 4.20 -1.32 -0.66 115.11 121.54 1nvw h GLN 95 Ca 0.03 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.80 1nvw h GLN 95 Cb 0.03 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 1nvw h GLN 95 CO -0.01 -0.22 0.37 1.88 -0.67 0.00 0.00 178.83 180.19 1nvw h TYR 96 N -0.40 0.70 -0.58 2.96 0.05 -1.28 -0.32 116.97 118.10 1nvw h TYR 96 Ca -0.04 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1nvw h TYR 96 Cb 0.31 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 1nvw h TYR 96 CO -0.05 0.38 0.34 -0.09 -1.05 0.00 0.00 178.16 177.69 1nvw h ARG 97 N 0.73 0.80 -0.42 4.88 1.12 -1.16 -0.50 114.38 119.82 1nvw h ARG 97 Ca 0.26 -0.08 -0.05 0.00 -1.11 0.00 0.00 59.98 59.00 1nvw h ARG 97 Cb 0.06 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 29.84 1nvw h ARG 97 CO -0.12 0.59 0.07 0.93 -3.11 0.00 0.00 179.97 178.32 1nvw h GLU 98 N 0.78 0.70 -0.84 0.20 5.08 -0.73 -0.78 114.58 119.00 1nvw h GLU 98 Ca 0.21 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1nvw h GLU 98 Cb 0.01 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1nvw h GLU 98 CO -0.04 0.74 0.42 0.37 -1.00 0.00 0.00 179.01 179.51 1nvw h GLN 99 N 0.56 1.20 0.19 2.33 4.15 -0.75 -1.12 115.11 121.67 1nvw h GLN 99 Ca 0.13 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1nvw h GLN 99 Cb 0.38 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1nvw h GLN 99 CO 0.01 0.91 -0.09 0.82 -1.93 0.00 0.00 178.83 178.55 1nvw h ILE 100 N 1.19 0.90 -0.96 2.39 2.04 -0.98 0.59 117.51 122.69 1nvw h ILE 100 Ca 0.29 -0.84 0.27 0.00 1.00 0.00 0.00 64.86 65.58 1nvw h ILE 100 Cb 0.09 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1nvw h ILE 100 CO -0.04 0.18 0.68 0.50 0.00 0.00 0.00 178.15 179.47 1nvw h LYS 101 N -0.70 0.05 0.00 2.37 3.64 -1.03 -0.64 116.57 120.27 1nvw h LYS 101 Ca -0.03 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1nvw h LYS 101 Cb 0.49 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1nvw h LYS 101 CO 0.04 0.03 -0.22 -0.09 -2.27 0.00 0.00 179.45 176.94 1nvw h ARG 102 N 0.05 0.00 0.03 1.90 2.43 -1.04 -0.96 114.38 116.80 1nvw h ARG 102 Ca 0.46 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.66 1nvw h ARG 102 Cb 1.76 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.26 1nvw h ARG 102 CO -0.03 0.24 -0.49 0.28 -1.51 0.00 0.00 179.97 178.46 1nvw h VAL 103 N -1.00 0.06 0.00 0.20 2.07 -0.37 0.92 116.25 118.14 1nvw h VAL 103 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1nvw h VAL 103 Cb 0.38 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1nvw h VAL 103 CO -0.02 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.86 1nvw n LYS 104 N -5.47 0.02 -3.28 1.57 5.02 -0.29 -4.94 118.16 110.79 1nvw n LYS 104 Ca -0.07 0.22 -0.25 0.00 -2.02 0.00 0.00 58.31 56.19 1nvw n LYS 104 Cb 0.39 -1.54 0.02 0.00 -0.02 0.00 0.00 35.03 33.88 1nvw n LYS 104 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1nvw n ASP 105 N -1.59 -6.43 -3.61 4.39 -0.08 0.32 -5.02 116.55 104.53 1nvw n ASP 105 Ca 0.04 0.02 -0.03 0.00 -1.51 0.00 0.00 54.79 53.31 1nvw n ASP 105 Cb 0.21 -3.16 -0.02 0.00 2.34 0.00 0.00 41.12 40.49 1nvw n ASP 105 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1nvw s SER 106 N -2.08 -0.08 0.00 1.67 0.15 -0.40 -5.01 113.70 107.93 1nvw s SER 106 Ca 0.28 -0.01 0.15 0.00 0.70 0.00 0.00 55.95 57.07 1nvw s SER 106 Cb -0.04 0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.43 1nvw s SER 106 CO 0.84 -0.16 0.91 -0.67 1.20 0.00 0.00 173.24 175.35 1nvw n ASP 107 N -0.11 1.96 -2.85 5.45 2.03 -1.26 -4.51 116.55 117.26 1nvw n ASP 107 Ca 0.01 -1.48 -0.22 0.00 0.52 0.00 0.00 54.79 53.62 1nvw n ASP 107 Cb 0.58 0.19 -0.02 0.00 -0.72 0.00 0.00 41.12 41.16 1nvw n ASP 107 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1nvw n ASP 108 N 0.44 3.20 -4.69 1.67 5.75 -1.26 -5.06 116.55 116.60 1nvw n ASP 108 Ca 0.08 -3.39 -0.41 0.00 -0.01 0.00 0.00 54.79 51.06 1nvw n ASP 108 Cb 0.35 -0.55 -0.04 0.00 -1.03 0.00 0.00 41.12 39.85 1nvw n ASP 108 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1nvw s VAL 109 N -4.02 4.94 -0.39 2.12 1.01 -1.26 -4.97 120.40 117.83 1nvw s VAL 109 Ca 0.43 1.58 -0.33 0.00 0.00 0.00 0.00 61.98 63.66 1nvw s VAL 109 Cb 0.35 -4.11 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 1nvw s VAL 109 CO -0.11 0.11 2.25 -2.65 0.00 0.00 0.00 175.10 174.70 1nvw n PRO 110 N 4.67 1.12 -4.14 2.72 -0.02 -1.26 -4.90 135.00 133.19 1nvw n PRO 110 Ca 0.02 0.27 -0.11 0.00 -2.02 0.00 0.00 63.50 61.66 1nvw n PRO 110 Cb 0.50 -2.61 -0.08 0.00 -0.02 0.00 0.00 33.50 31.29 1nvw n PRO 110 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nvw s MET 111 N 6.64 1.34 -0.01 -0.52 0.23 -1.26 -0.67 119.30 125.05 1nvw s MET 111 Ca 1.09 -1.52 0.00 0.00 -1.03 0.00 0.00 55.69 54.23 1nvw s MET 111 Cb -0.74 0.34 0.01 0.00 -1.53 0.00 0.00 34.83 32.91 1nvw s MET 111 CO 0.45 -0.49 0.00 0.08 -2.03 0.00 0.00 175.02 173.03 1nvw s VAL 112 N -4.07 0.08 -0.22 5.16 1.01 -0.62 -4.45 120.40 117.30 1nvw s VAL 112 Ca 0.34 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 62.15 1nvw s VAL 112 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 1nvw s VAL 112 CO 0.12 0.07 0.69 -0.22 0.00 0.00 0.00 175.10 175.77 1nvw s LEU 113 N 0.52 4.11 -0.19 3.92 2.96 -0.67 -1.64 118.68 127.70 1nvw s LEU 113 Ca -0.05 0.88 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 1nvw s LEU 113 Cb -0.07 -2.98 0.02 0.00 0.50 0.00 0.00 46.19 43.66 1nvw s LEU 113 CO -0.01 -0.37 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.78 1nvw s VAL 114 N 2.30 2.18 -0.45 1.68 1.01 0.78 -0.85 120.40 127.06 1nvw s VAL 114 Ca 0.30 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1nvw s VAL 114 Cb -0.16 -1.94 0.08 0.00 0.00 0.00 0.00 36.38 34.35 1nvw s VAL 114 CO 0.09 0.49 0.33 -0.83 0.00 0.00 0.00 175.10 175.19 1nvw s GLY 115 N 1.29 2.01 0.60 4.51 0.00 -0.85 -1.18 107.32 113.70 1nvw s GLY 115 Ca 0.04 -2.13 -0.01 0.00 0.00 0.00 0.00 44.72 42.63 1nvw s GLY 115 CO -0.12 1.01 0.85 0.21 0.00 0.00 0.00 173.10 175.06 1nvw s ASN 116 N 2.37 5.06 -0.71 1.64 2.47 0.13 -1.08 114.94 124.83 1nvw s ASN 116 Ca 0.04 0.03 -0.04 0.00 0.42 0.00 0.00 52.86 53.31 1nvw s ASN 116 Cb -0.24 -0.81 0.00 0.00 -1.45 0.00 0.00 41.25 38.76 1nvw s ASN 116 CO 0.04 -1.33 0.50 0.29 -3.72 0.00 0.00 177.10 172.88 1nvw n LYS 117 N -2.52 -3.47 0.00 0.43 5.02 -0.69 -1.21 118.16 115.72 1nvw n LYS 117 Ca 0.09 0.43 0.09 0.00 -2.02 0.00 0.00 58.31 56.89 1nvw n LYS 117 Cb 0.60 -4.24 0.51 0.00 -0.02 0.00 0.00 35.03 31.87 1nvw n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nvw h ASP 119 N 0.00 0.08 -3.96 0.00 2.03 -1.92 -3.46 116.42 109.20 1nvw h ASP 119 Ca 0.00 -0.11 -0.52 0.00 -0.73 0.00 0.00 57.03 55.67 1nvw h ASP 119 Cb 0.00 -0.03 0.08 0.00 -0.83 0.00 0.00 39.33 38.55 1nvw h ASP 119 CO 0.00 1.09 0.58 -0.76 -1.03 0.00 0.00 179.24 179.12 1nvw s LEU 120 N -6.61 4.17 0.12 0.15 1.43 -1.02 -4.97 118.68 111.96 1nvw s LEU 120 Ca -0.02 2.58 0.12 0.00 -1.03 0.00 0.00 54.13 55.78 1nvw s LEU 120 Cb 0.09 -3.98 -0.12 0.00 0.03 0.00 0.00 46.19 42.20 1nvw s LEU 120 CO 0.83 -0.88 1.12 0.00 0.23 0.00 0.00 176.35 177.65 1nvw h ALA 121 N 2.53 0.57 0.00 4.21 0.00 -1.89 -3.41 119.26 121.27 1nvw h ALA 121 Ca -0.50 -0.88 -0.68 0.00 0.00 0.00 0.00 54.91 52.86 1nvw h ALA 121 Cb 1.25 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1nvw h ALA 121 CO 0.62 1.08 3.20 0.00 0.00 0.00 0.00 179.25 184.15 1nvw n ALA 122 N -2.36 5.76 -2.50 0.00 0.00 -1.26 -4.96 120.51 115.19 1nvw n ALA 122 Ca -0.04 -3.63 -0.42 0.00 0.00 0.00 0.00 53.44 49.34 1nvw n ALA 122 Cb 0.89 -3.48 -0.03 0.00 0.00 0.00 0.00 19.45 16.82 1nvw n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1nvw s ARG 123 N 3.16 4.43 0.00 0.00 3.52 -1.26 -4.56 118.95 124.24 1nvw s ARG 123 Ca 0.53 1.66 0.00 0.00 -0.13 0.00 0.00 55.73 57.79 1nvw s ARG 123 Cb 0.15 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 1nvw s ARG 123 CO -0.06 -0.29 0.68 0.25 -0.81 0.00 0.00 175.30 175.07 1nvw n THR 124 N 4.19 0.34 -4.10 4.11 -2.24 -0.14 -4.95 114.28 111.49 1nvw n THR 124 Ca 0.09 -0.67 -0.28 0.00 -2.27 0.00 0.00 64.05 60.92 1nvw n THR 124 Cb 0.47 0.83 -0.17 0.00 -2.10 0.00 0.00 70.33 69.37 1nvw n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nvw s VAL 125 N -0.36 1.28 0.06 2.28 1.01 -0.84 -4.76 120.40 119.07 1nvw s VAL 125 Ca 0.00 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 1nvw s VAL 125 Cb 0.00 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 1nvw s VAL 125 CO 0.00 0.41 0.77 -1.61 0.00 0.00 0.00 175.10 174.67 1nvw s GLU 126 N 1.41 4.51 0.37 2.72 0.41 -1.26 -4.93 118.70 121.92 1nvw s GLU 126 Ca 0.01 1.09 0.17 0.00 -0.41 0.00 0.00 54.97 55.82 1nvw s GLU 126 Cb -0.13 -3.36 1.09 0.00 -1.78 0.00 0.00 34.13 29.95 1nvw s GLU 126 CO -0.07 0.30 1.70 0.77 -0.49 0.00 0.00 175.26 177.48 1nvw h SER 127 N 5.56 0.50 -0.71 -0.19 0.02 -2.00 0.30 113.55 117.05 1nvw h SER 127 Ca -0.44 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 1nvw h SER 127 Cb 1.21 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.78 1nvw h SER 127 CO 0.71 -0.02 0.46 -0.09 -1.14 0.00 0.00 176.83 176.74 1nvw h ARG 128 N 0.37 0.89 -0.07 3.45 9.65 -1.98 0.34 114.38 127.04 1nvw h ARG 128 Ca 0.69 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.50 1nvw h ARG 128 Cb 1.64 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 30.02 1nvw h ARG 128 CO -0.46 0.59 0.01 0.37 2.80 0.00 0.00 179.97 183.28 1nvw h GLN 129 N 0.92 0.11 0.01 0.20 4.15 -0.81 0.08 115.11 119.78 1nvw h GLN 129 Ca 0.27 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1nvw h GLN 129 Cb -0.05 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 1nvw h GLN 129 CO -0.08 0.33 -0.02 0.00 -1.93 0.00 0.00 178.83 177.13 1nvw h ALA 130 N 0.78 -0.03 -0.62 3.38 0.00 -1.17 -1.91 119.26 119.70 1nvw h ALA 130 Ca 0.02 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1nvw h ALA 130 Cb 0.27 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 1nvw h ALA 130 CO 0.00 -0.52 0.18 0.37 0.00 0.00 0.00 179.25 179.28 1nvw h GLN 131 N -0.04 0.32 -0.76 0.00 5.75 -0.23 0.44 115.11 120.59 1nvw h GLN 131 Ca 0.00 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1nvw h GLN 131 Cb 0.04 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 1nvw h GLN 131 CO -0.01 0.21 0.50 -0.44 -2.65 0.00 0.00 178.83 176.44 1nvw h ASP 132 N 0.32 0.88 -0.39 -0.69 3.32 -0.55 0.03 116.42 119.34 1nvw h ASP 132 Ca 0.32 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 1nvw h ASP 132 Cb 0.45 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1nvw h ASP 132 CO -0.37 0.65 -0.09 0.25 -1.72 0.00 0.00 179.24 177.95 1nvw h LEU 133 N 1.04 0.76 -0.66 1.55 5.85 -0.21 -1.62 115.31 122.01 1nvw h LEU 133 Ca 0.28 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1nvw h LEU 133 Cb -0.11 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 1nvw h LEU 133 CO -0.06 0.95 0.31 0.00 -0.34 0.00 0.00 178.44 179.30 1nvw h ALA 134 N 0.84 0.85 -0.70 1.25 0.00 -0.38 -1.64 119.26 119.48 1nvw h ALA 134 Ca 0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1nvw h ALA 134 Cb 0.61 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1nvw h ALA 134 CO 0.04 0.42 0.26 0.00 0.00 0.00 0.00 179.25 179.97 1nvw h ARG 135 N 0.92 1.06 -0.33 0.00 3.08 -0.87 0.24 114.38 118.47 1nvw h ARG 135 Ca 0.23 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1nvw h ARG 135 Cb 0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1nvw h ARG 135 CO -0.03 0.89 0.14 0.66 -1.07 0.00 0.00 179.97 180.57 1nvw h SER 136 N 1.01 0.41 0.68 7.04 4.64 -0.79 -0.53 113.55 126.00 1nvw h SER 136 Ca 0.23 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1nvw h SER 136 Cb 0.25 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1nvw h SER 136 CO -0.01 0.37 -0.41 -1.22 -0.87 0.00 0.00 176.83 174.69 1nvw n TYR 137 N -4.41 0.12 -2.27 4.77 4.01 -0.66 -4.94 117.16 113.77 1nvw n TYR 137 Ca 0.02 0.03 -0.06 0.00 -0.16 0.00 0.00 57.90 57.73 1nvw n TYR 137 Cb 0.13 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.77 1nvw n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nvw n GLY 138 N 1.47 0.21 3.30 2.72 0.00 0.63 -5.05 105.19 108.47 1nvw n GLY 138 Ca 0.05 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 1nvw n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nvw s ILE 139 N -2.47 1.49 0.55 -0.61 -4.36 -0.01 -5.01 121.20 110.78 1nvw s ILE 139 Ca 0.04 -2.10 -0.16 0.00 -0.26 0.00 0.00 60.65 58.17 1nvw s ILE 139 Cb -0.02 -1.91 -0.06 0.00 1.25 0.00 0.00 42.46 41.72 1nvw s ILE 139 CO 0.05 -0.63 1.02 -2.16 0.24 0.00 0.00 174.94 173.46 1nvw s PRO 140 N -3.56 3.64 -0.16 0.37 0.04 -1.26 -4.10 135.00 129.97 1nvw s PRO 140 Ca 0.19 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1nvw s PRO 140 Cb -0.00 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1nvw s PRO 140 CO 0.04 -0.54 -0.15 -0.47 0.04 0.00 0.00 177.00 175.92 1nvw s TYR 141 N -2.52 2.79 -0.10 0.56 5.04 -1.26 -1.67 117.35 120.19 1nvw s TYR 141 Ca 0.61 -1.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 1nvw s TYR 141 Cb -0.13 -1.91 0.02 0.00 0.35 0.00 0.00 41.96 40.29 1nvw s TYR 141 CO 0.34 -0.52 -0.09 0.42 -1.34 0.00 0.00 175.55 174.35 1nvw s ILE 142 N 0.92 1.06 -0.00 3.14 1.01 -0.03 -4.99 121.20 122.32 1nvw s ILE 142 Ca -0.03 -0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.08 1nvw s ILE 142 Cb -0.15 -1.04 -0.06 0.00 0.01 0.00 0.00 42.46 41.22 1nvw s ILE 142 CO -0.02 0.36 0.54 -1.61 0.00 0.00 0.00 174.94 174.21 1nvw s GLU 143 N 1.39 4.22 0.35 2.79 2.02 -1.26 -2.01 118.70 126.21 1nvw s GLU 143 Ca -0.01 0.64 0.05 0.00 0.02 0.00 0.00 54.97 55.67 1nvw s GLU 143 Cb -0.14 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 1nvw s GLU 143 CO -0.05 0.46 0.21 0.95 0.02 0.00 0.00 175.26 176.86 1nvw s THR 144 N -0.46 0.23 -0.26 3.63 -4.23 -0.24 -4.48 115.64 109.83 1nvw s THR 144 Ca 0.28 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.79 1nvw s THR 144 Cb -0.18 -2.43 0.14 0.00 1.34 0.00 0.00 72.50 71.37 1nvw s THR 144 CO 0.16 0.00 0.36 -0.55 -0.54 0.00 0.00 174.62 174.05 1nvw s SER 145 N -3.45 0.59 0.52 3.99 0.15 -0.35 -0.89 113.70 114.25 1nvw s SER 145 Ca 0.34 -0.15 0.35 0.00 0.70 0.00 0.00 55.95 57.19 1nvw s SER 145 Cb 0.03 0.97 1.76 0.00 -1.71 0.00 0.00 66.02 67.06 1nvw s SER 145 CO 0.22 -0.33 2.06 0.00 1.20 0.00 0.00 173.24 176.39 1nvw h ALA 146 N 8.20 1.00 0.05 5.45 0.00 -1.89 0.62 119.26 132.68 1nvw h ALA 146 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 1nvw h ALA 146 Cb 1.13 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.94 1nvw h ALA 146 CO 0.28 0.00 -0.71 -0.22 0.00 0.00 0.00 179.25 178.60 1nvw h LYS 147 N 0.00 0.40 -0.02 0.00 3.64 -1.94 -3.37 116.57 115.28 1nvw h LYS 147 Ca 0.00 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1nvw h LYS 147 Cb 0.17 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1nvw h LYS 147 CO 0.00 1.17 -0.20 0.25 -2.27 0.00 0.00 179.45 178.40 1nvw n THR 148 N -4.16 0.00 -0.09 1.00 -2.24 -1.05 -4.88 114.28 102.86 1nvw n THR 148 Ca -0.12 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1nvw n THR 148 Cb 0.74 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 70.28 1nvw n THR 148 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nvw n ARG 149 N 0.50 0.00 -1.64 -0.78 1.74 0.18 -4.96 116.66 111.70 1nvw n ARG 149 Ca 0.09 0.00 -0.56 0.00 -0.77 0.00 0.00 57.85 56.62 1nvw n ARG 149 Cb 0.44 -1.71 -0.07 0.00 -1.02 0.00 0.00 32.46 30.09 1nvw n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1nvw n GLN 150 N -2.00 1.14 -0.54 5.56 7.27 -1.19 -0.89 117.38 126.72 1nvw n GLN 150 Ca 0.00 0.40 0.00 0.00 0.07 0.00 0.00 57.00 57.47 1nvw n GLN 150 Cb 0.00 -2.17 0.00 0.00 2.41 0.00 0.00 30.24 30.48 1nvw n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1nvw n GLY 151 N 4.84 0.77 0.09 1.69 0.00 -1.26 -1.22 105.19 110.09 1nvw n GLY 151 Ca 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 1nvw n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nvw h VAL 152 N 0.00 0.91 -0.55 1.61 2.07 -1.32 -1.37 116.25 117.60 1nvw h VAL 152 Ca 0.00 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 1nvw h VAL 152 Cb 0.00 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1nvw h VAL 152 CO 0.00 0.01 -0.03 -0.33 0.02 0.00 0.00 177.57 177.24 1nvw h GLU 153 N 0.06 0.99 -0.45 1.57 5.08 -1.91 -2.89 114.58 117.04 1nvw h GLU 153 Ca 0.06 -0.33 0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1nvw h GLU 153 Cb 0.07 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.15 1nvw h GLU 153 CO -0.10 1.01 -0.19 0.22 -1.00 0.00 0.00 179.01 178.94 1nvw h ASP 154 N 0.87 -0.67 0.85 1.42 1.82 -1.83 0.29 116.42 119.18 1nvw h ASP 154 Ca 0.15 0.16 -0.04 0.00 -0.39 0.00 0.00 57.03 56.91 1nvw h ASP 154 Cb 0.58 0.37 0.01 0.00 0.68 0.00 0.00 39.33 40.97 1nvw h ASP 154 CO 0.03 -0.23 -0.41 0.00 -1.61 0.00 0.00 179.24 177.03 1nvw h ALA 155 N 1.24 -1.15 -0.25 -0.78 0.00 -1.12 -0.26 119.26 116.93 1nvw h ALA 155 Ca 0.22 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1nvw h ALA 155 Cb 0.43 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1nvw h ALA 155 CO -0.52 -1.13 0.14 0.74 0.00 0.00 0.00 179.25 178.49 1nvw h PHE 156 N -1.18 0.27 0.00 0.00 0.04 -1.30 -2.27 116.94 112.50 1nvw h PHE 156 Ca -0.12 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 1nvw h PHE 156 Cb 0.88 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 1nvw h PHE 156 CO -0.01 0.16 -0.39 1.88 -0.60 0.00 0.00 178.31 179.34 1nvw h TYR 157 N 0.30 0.00 -0.50 -0.55 0.05 -0.46 -2.19 116.97 113.62 1nvw h TYR 157 Ca 0.10 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.78 1nvw h TYR 157 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 1nvw h TYR 157 CO -0.08 0.39 -0.09 1.15 -1.05 0.00 0.00 178.16 178.48 1nvw h THR 158 N 0.00 1.27 -0.66 -2.88 2.02 -0.81 -1.93 112.91 109.92 1nvw h THR 158 Ca -0.00 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 1nvw h THR 158 Cb 0.88 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1nvw h THR 158 CO 0.05 0.43 0.33 0.25 0.37 0.00 0.00 175.52 176.95 1nvw h LEU 159 N 0.81 0.83 -0.38 2.58 5.85 -1.02 -1.65 115.31 122.32 1nvw h LEU 159 Ca 0.13 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1nvw h LEU 159 Cb 0.64 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1nvw h LEU 159 CO 0.04 0.69 0.16 0.58 -0.34 0.00 0.00 178.44 179.57 1nvw h VAL 160 N 0.92 1.19 -0.29 1.05 2.07 -0.98 -1.93 116.25 118.28 1nvw h VAL 160 Ca 0.23 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1nvw h VAL 160 Cb 0.07 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1nvw h VAL 160 CO -0.03 0.21 0.05 0.03 0.02 0.00 0.00 177.57 177.85 1nvw h ARG 161 N 0.48 0.42 -0.18 1.57 3.08 -0.75 -1.39 114.38 117.60 1nvw h ARG 161 Ca 0.13 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 1nvw h ARG 161 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1nvw h ARG 161 CO -0.01 0.41 -0.47 0.93 -1.07 0.00 0.00 179.97 179.75 1nvw h GLU 162 N 0.41 0.46 -0.07 0.04 5.08 -0.91 -1.06 114.58 118.54 1nvw h GLU 162 Ca 0.10 -0.26 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 1nvw h GLU 162 Cb 0.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1nvw h GLU 162 CO -0.00 0.84 -0.59 0.82 -1.00 0.00 0.00 179.01 179.08 1nvw h ILE 163 N 0.37 1.38 -0.18 3.13 2.04 -0.71 -2.06 117.51 121.49 1nvw h ILE 163 Ca 0.02 -1.95 -0.16 0.00 1.00 0.00 0.00 64.86 63.77 1nvw h ILE 163 Cb 0.97 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1nvw h ILE 163 CO 0.08 0.58 -0.53 -0.09 0.00 0.00 0.00 178.15 178.19 1nvw h ARG 164 N 0.17 0.68 -0.00 2.37 2.43 -1.08 -3.21 114.38 115.73 1nvw h ARG 164 Ca -0.00 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1nvw h ARG 164 Cb 1.08 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1nvw h ARG 164 CO 0.09 1.11 -0.09 1.04 -1.51 0.00 0.00 179.97 180.61 1nvw n GLN 165 N -4.14 0.68 0.00 0.20 6.02 -0.42 -5.10 117.38 114.62 1nvw n GLN 165 Ca -0.06 -0.20 0.15 0.00 -0.01 0.00 0.00 57.00 56.87 1nvw n GLN 165 Cb 0.61 -1.50 0.76 0.00 1.02 0.00 0.00 30.24 31.14 1nvw n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63