#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvi s GLU 3 N 0.00 4.24 -0.06 0.00 2.12 -1.26 -4.92 118.70 118.82 1nvi s GLU 3 Ca 0.00 1.10 0.04 0.00 0.36 0.00 0.00 54.97 56.47 1nvi s GLU 3 Cb 0.00 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 32.14 1nvi s GLU 3 CO 0.00 0.01 -0.18 0.99 -0.54 0.00 0.00 175.26 175.54 1nvi s THR 4 N -2.12 1.51 -0.18 -1.70 2.01 -1.26 -2.40 115.64 111.50 1nvi s THR 4 Ca 0.60 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 1nvi s THR 4 Cb -0.10 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 71.10 1nvi s THR 4 CO 0.14 0.43 -0.12 -0.75 -0.69 0.00 0.00 174.62 173.63 1nvi s LYS 5 N 0.22 3.24 -0.11 4.92 2.20 0.11 -5.00 119.74 125.32 1nvi s LYS 5 Ca -0.09 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 54.82 1nvi s LYS 5 Cb -0.14 -2.75 0.01 0.00 -1.51 0.00 0.00 37.83 33.44 1nvi s LYS 5 CO 0.04 -0.10 -0.16 0.42 -0.36 0.00 0.00 175.35 175.19 1nvi s ILE 6 N 1.13 1.55 -0.06 5.43 -1.09 -1.26 -0.91 121.20 126.00 1nvi s ILE 6 Ca 0.01 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 1nvi s ILE 6 Cb -0.14 -1.41 0.02 0.00 -1.58 0.00 0.00 42.46 39.34 1nvi s ILE 6 CO -0.04 0.45 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.39 1nvi s VAL 7 N 1.00 0.61 -0.18 2.92 1.01 -0.52 -5.01 120.40 120.24 1nvi s VAL 7 Ca -0.06 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1nvi s VAL 7 Cb -0.15 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.61 1nvi s VAL 7 CO -0.02 0.26 -0.11 -0.69 0.00 0.00 0.00 175.10 174.54 1nvi s VAL 8 N 1.23 1.57 -0.07 2.92 1.01 -1.26 -1.07 120.40 124.73 1nvi s VAL 8 Ca -0.06 -0.84 -0.32 0.00 0.00 0.00 0.00 61.98 60.77 1nvi s VAL 8 Cb -0.14 -1.59 0.12 0.00 0.00 0.00 0.00 36.38 34.78 1nvi s VAL 8 CO -0.02 0.27 1.22 -0.83 0.00 0.00 0.00 175.10 175.75 1nvi s GLY 9 N 1.45 -0.36 0.44 4.51 0.00 -1.13 -4.99 107.32 107.23 1nvi s GLY 9 Ca 0.01 1.00 0.24 0.00 0.00 0.00 0.00 44.72 45.97 1nvi s GLY 9 CO -0.09 0.27 1.76 -0.56 0.00 0.00 0.00 173.10 174.48 1nvi h PRO 10 N 2.00 0.00 -6.97 2.90 0.13 -1.90 -2.56 132.00 125.61 1nvi h PRO 10 Ca -0.22 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.38 1nvi h PRO 10 Cb 1.19 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.41 1nvi h PRO 10 CO 0.26 0.19 0.61 1.14 -0.23 0.00 0.00 178.00 179.97 1nvi s GLN 11 N -3.48 3.84 0.75 0.86 0.00 -1.26 -4.70 119.66 115.67 1nvi s GLN 11 Ca 0.02 2.16 -0.13 0.00 -0.00 0.00 0.00 55.36 57.42 1nvi s GLN 11 Cb 0.09 -2.67 0.05 0.00 0.00 0.00 0.00 33.01 30.48 1nvi s GLN 11 CO 0.64 -0.60 1.13 -1.25 0.00 0.00 0.00 175.29 175.21 1nvi s PRO 12 N -2.37 2.23 0.34 9.60 0.04 -1.26 -4.89 135.00 138.69 1nvi s PRO 12 Ca 0.59 1.41 0.10 0.00 0.04 0.00 0.00 61.00 63.14 1nvi s PRO 12 Cb -0.38 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 1nvi s PRO 12 CO 0.48 -1.69 -0.10 -0.59 0.04 0.00 0.00 177.00 175.14 1nvi s PHE 13 N -2.50 2.41 -0.10 0.56 -0.12 -1.26 -5.14 117.98 111.82 1nvi s PHE 13 Ca 0.66 -0.49 0.00 0.00 -0.05 0.00 0.00 56.93 57.06 1nvi s PHE 13 Cb -0.21 -1.37 0.02 0.00 -0.63 0.00 0.00 43.02 40.83 1nvi s PHE 13 CO 0.49 0.59 -0.10 0.45 -0.05 0.00 0.00 175.22 176.60 1nvi s SER 14 N -3.61 2.12 0.33 1.98 0.15 -1.26 -5.01 113.70 108.41 1nvi s SER 14 Ca 0.32 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.69 1nvi s SER 14 Cb 0.02 -0.88 0.65 0.00 -1.71 0.00 0.00 66.02 64.10 1nvi s SER 14 CO 0.17 -0.07 1.93 0.58 1.20 0.00 0.00 173.24 177.05 1nvi h VAL 15 N 6.10 1.03 -0.08 4.45 2.07 -2.01 -0.67 116.25 127.14 1nvi h VAL 15 Ca -0.31 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1nvi h VAL 15 Cb 1.15 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1nvi h VAL 15 CO 0.44 0.16 -0.03 1.23 0.02 0.00 0.00 177.57 179.39 1nvi h GLY 16 N 0.87 0.12 1.52 2.17 0.00 -2.00 0.10 103.07 105.85 1nvi h GLY 16 Ca 0.36 -0.06 -0.27 0.00 0.00 0.00 0.00 47.33 47.36 1nvi h GLY 16 CO -0.13 0.05 -1.20 0.83 0.00 0.00 0.00 176.54 176.10 1nvi h GLU 17 N 0.12 0.38 0.00 4.80 5.08 -1.60 -3.38 114.58 119.98 1nvi h GLU 17 Ca 0.03 -0.56 -0.22 0.00 -1.00 0.00 0.00 59.36 57.60 1nvi h GLU 17 Cb 0.14 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1nvi h GLU 17 CO 0.01 1.24 -1.12 0.93 -1.00 0.00 0.00 179.01 179.07 1nvi h GLU 18 N 0.15 0.00 -0.20 2.33 4.39 -0.42 -3.38 114.58 117.44 1nvi h GLU 18 Ca -0.14 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 1nvi h GLU 18 Cb 1.89 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.53 1nvi h GLU 18 CO 0.21 0.92 0.04 -0.92 -1.16 0.00 0.00 179.01 178.10 1nvi h TYR 19 N 0.00 0.35 -0.82 4.33 3.20 -1.01 -3.16 116.97 119.86 1nvi h TYR 19 Ca -0.06 -0.04 0.10 0.00 3.14 0.00 0.00 58.73 61.87 1nvi h TYR 19 Cb 1.81 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 39.91 1nvi h TYR 19 CO 0.00 0.46 0.46 -1.35 -1.64 0.00 0.00 178.16 176.09 1nvi h PRO 20 N 0.14 0.75 -0.45 1.82 0.11 -1.77 -0.47 132.00 132.12 1nvi h PRO 20 Ca 0.06 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 1nvi h PRO 20 Cb 0.29 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1nvi h PRO 20 CO 0.00 0.50 0.22 2.35 -0.21 0.00 0.00 178.00 180.85 1nvi h TRP 21 N 0.77 0.65 -0.78 0.65 7.01 -1.79 -1.99 115.95 120.48 1nvi h TRP 21 Ca 0.40 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.40 1nvi h TRP 21 Cb 0.38 -0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 27.19 1nvi h TRP 21 CO -0.06 0.53 0.49 1.25 -2.79 0.00 0.00 178.44 177.86 1nvi h LEU 22 N 0.59 0.81 -0.79 0.65 5.85 -1.30 -2.98 115.31 118.13 1nvi h LEU 22 Ca 0.16 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1nvi h LEU 22 Cb 0.12 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1nvi h LEU 22 CO -0.02 0.55 0.00 0.00 -0.34 0.00 0.00 178.44 178.63 1nvi n ALA 23 N -2.33 2.58 -0.21 1.25 0.00 -0.27 -4.44 120.51 117.09 1nvi n ALA 23 Ca 0.09 -0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.09 1nvi n ALA 23 Cb 0.10 -1.21 0.06 0.00 0.00 0.00 0.00 19.45 18.41 1nvi n ALA 23 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1nvi h GLU 24 N 1.79 0.68 -6.23 0.00 4.81 -1.21 -3.43 114.58 111.00 1nvi h GLU 24 Ca 0.00 -0.04 -0.56 0.00 -0.13 0.00 0.00 59.36 58.63 1nvi h GLU 24 Cb 0.39 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 1nvi h GLU 24 CO 0.00 0.45 0.72 1.03 -0.73 0.00 0.00 179.01 180.48 1nvi s ARG 25 N -6.12 4.33 0.51 1.92 0.52 -1.26 -4.93 118.95 113.93 1nvi s ARG 25 Ca -0.13 1.55 0.27 0.00 -0.52 0.00 0.00 55.73 56.90 1nvi s ARG 25 Cb 0.14 -3.61 1.39 0.00 0.52 0.00 0.00 34.95 33.40 1nvi s ARG 25 CO 0.75 -0.49 2.05 -0.44 0.02 0.00 0.00 175.30 177.19 1nvi h ASP 26 N 7.50 0.00 1.29 0.23 3.32 -1.99 -2.84 116.42 123.94 1nvi h ASP 26 Ca -0.30 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 1nvi h ASP 26 Cb 1.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 1nvi h ASP 26 CO 0.91 0.13 -0.15 1.05 -1.72 0.00 0.00 179.24 179.45 1nvi h GLU 27 N 0.00 0.00 -5.32 3.56 9.09 -1.97 -3.38 114.58 116.57 1nvi h GLU 27 Ca -0.00 0.00 -0.66 0.00 0.05 0.00 0.00 59.36 58.75 1nvi h GLU 27 Cb 0.38 0.00 -0.15 0.00 -1.65 0.00 0.00 28.75 27.32 1nvi h GLU 27 CO 0.02 0.15 0.79 -0.51 0.05 0.00 0.00 179.01 179.51 1nvi s ASP 28 N -6.11 6.43 0.37 3.06 1.01 -1.07 -4.50 116.67 115.86 1nvi s ASP 28 Ca 0.03 -1.55 0.27 0.00 0.71 0.00 0.00 52.55 52.01 1nvi s ASP 28 Cb 0.08 -2.43 1.15 0.00 1.01 0.00 0.00 42.92 42.74 1nvi s ASP 28 CO 0.64 -1.27 1.82 1.23 0.21 0.00 0.00 175.17 177.80 1nvi h GLY 29 N 11.06 0.00 -5.41 0.21 0.00 -1.55 -3.44 103.07 103.94 1nvi h GLY 29 Ca -0.02 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.73 1nvi h GLY 29 CO 1.17 0.00 -0.84 0.00 0.00 0.00 0.00 176.54 176.87 1nvi s ALA 30 N -3.46 1.62 -0.12 3.60 0.00 -0.37 -4.95 121.76 118.08 1nvi s ALA 30 Ca 0.03 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1nvi s ALA 30 Cb 0.09 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.65 1nvi s ALA 30 CO 0.44 0.25 -0.08 0.08 0.00 0.00 0.00 175.76 176.45 1nvi s VAL 31 N 0.23 1.06 -0.13 0.00 1.01 -1.26 -1.91 120.40 119.41 1nvi s VAL 31 Ca -0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1nvi s VAL 31 Cb -0.14 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 1nvi s VAL 31 CO 0.04 0.36 -0.12 -0.69 0.00 0.00 0.00 175.10 174.69 1nvi s VAL 32 N 1.69 3.19 0.13 2.92 1.01 -0.45 -5.00 120.40 123.90 1nvi s VAL 32 Ca 0.05 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.52 1nvi s VAL 32 Cb -0.13 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1nvi s VAL 32 CO -0.08 0.53 -0.25 0.42 0.00 0.00 0.00 175.10 175.71 1nvi s THR 33 N 0.26 2.14 -0.05 3.92 -4.23 -1.26 -1.41 115.64 115.01 1nvi s THR 33 Ca -0.08 -1.73 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 1nvi s THR 33 Cb -0.15 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.78 1nvi s THR 33 CO 0.05 0.04 -0.13 0.12 -0.54 0.00 0.00 174.62 174.16 1nvi s PHE 34 N -1.13 1.39 -0.12 3.99 5.36 0.35 -5.00 117.98 122.82 1nvi s PHE 34 Ca 0.13 -0.45 0.03 0.00 -0.96 0.00 0.00 56.93 55.68 1nvi s PHE 34 Cb -0.10 -0.99 0.01 0.00 -0.34 0.00 0.00 43.02 41.60 1nvi s PHE 34 CO 0.06 -0.20 -0.19 0.99 -1.46 0.00 0.00 175.22 174.41 1nvi s THR 35 N 0.40 1.81 -0.13 0.12 2.01 -1.26 -1.14 115.64 117.45 1nvi s THR 35 Ca -0.09 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 1nvi s THR 35 Cb -0.13 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1nvi s THR 35 CO 0.02 0.50 -0.00 -0.83 -0.69 0.00 0.00 174.62 173.62 1nvi s GLY 36 N 0.75 1.81 0.18 4.40 0.00 -0.49 -5.00 107.32 108.98 1nvi s GLY 36 Ca -0.10 -0.80 0.09 0.00 0.00 0.00 0.00 44.72 43.91 1nvi s GLY 36 CO 0.01 -0.26 -0.19 0.54 0.00 0.00 0.00 173.10 173.21 1nvi s LYS 37 N -0.16 1.34 -0.01 2.90 1.02 -1.26 -0.28 119.74 123.29 1nvi s LYS 37 Ca 0.05 -1.46 -0.30 0.00 0.02 0.00 0.00 55.97 54.27 1nvi s LYS 37 Cb -0.13 -1.41 -0.06 0.00 -0.52 0.00 0.00 37.83 35.71 1nvi s LYS 37 CO 0.02 0.28 1.51 0.08 -0.92 0.00 0.00 175.35 176.33 1nvi s VAL 38 N -2.11 3.57 -1.37 3.17 1.01 0.08 -4.88 120.40 119.88 1nvi s VAL 38 Ca 0.18 0.89 -0.07 0.00 0.00 0.00 0.00 61.98 62.98 1nvi s VAL 38 Cb -0.06 -3.57 0.09 0.00 0.00 0.00 0.00 36.38 32.85 1nvi s VAL 38 CO 0.08 -0.03 2.40 0.54 0.00 0.00 0.00 175.10 178.09 1nvi n ARG 39 N 5.98 4.30 0.00 2.72 1.74 -1.26 0.22 116.66 130.36 1nvi n ARG 39 Ca 0.15 -3.27 0.00 0.00 -0.77 0.00 0.00 57.85 53.96 1nvi n ARG 39 Cb 0.43 -2.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.16 1nvi n ARG 39 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1nvi n VAL 47 N 2.29 0.00 -4.04 1.55 0.31 -1.26 -4.61 118.33 112.56 1nvi n VAL 47 Ca 0.62 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.61 1nvi n VAL 47 Cb 0.26 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.04 1nvi n VAL 47 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1nvi s ASN 48 N 0.00 4.19 0.44 4.52 -0.87 -1.26 -4.98 114.94 116.98 1nvi s ASN 48 Ca 0.00 -1.10 -0.24 0.00 -1.57 0.00 0.00 52.86 49.94 1nvi s ASN 48 Cb 0.00 -1.58 -0.08 0.00 -0.02 0.00 0.00 41.25 39.57 1nvi s ASN 48 CO 0.00 -0.14 1.24 0.00 -2.57 0.00 0.00 177.10 175.63 1nvi s ALA 49 N 1.21 3.08 -0.10 0.60 0.00 -1.26 -4.51 121.76 120.77 1nvi s ALA 49 Ca -0.04 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.00 1nvi s ALA 49 Cb -0.18 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 1nvi s ALA 49 CO -0.06 -0.79 -0.02 -1.17 0.00 0.00 0.00 175.76 173.72 1nvi s LEU 50 N -2.79 3.45 0.01 0.00 2.96 -0.53 -1.68 118.68 120.10 1nvi s LEU 50 Ca 0.61 0.06 0.07 0.00 -0.22 0.00 0.00 54.13 54.65 1nvi s LEU 50 Cb -0.34 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 1nvi s LEU 50 CO 0.42 0.32 -0.20 0.42 -1.32 0.00 0.00 176.35 175.99 1nvi s THR 51 N -0.56 2.58 -0.33 3.68 -4.23 0.31 -0.39 115.64 116.71 1nvi s THR 51 Ca 0.09 -1.09 -0.04 0.00 -1.18 0.00 0.00 61.69 59.46 1nvi s THR 51 Cb -0.12 -2.02 0.05 0.00 1.34 0.00 0.00 72.50 71.75 1nvi s THR 51 CO 0.02 0.46 0.07 -0.76 -0.54 0.00 0.00 174.62 173.87 1nvi s LEU 52 N -1.05 4.23 0.30 4.79 1.43 -0.40 -1.40 118.68 126.58 1nvi s LEU 52 Ca 0.12 -1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 51.85 1nvi s LEU 52 Cb -0.10 -1.81 -0.08 0.00 0.03 0.00 0.00 46.19 44.23 1nvi s LEU 52 CO 0.02 -0.32 0.66 -0.70 0.23 0.00 0.00 176.35 176.24 1nvi s GLU 53 N 1.33 3.88 0.24 1.70 2.12 -0.25 -1.82 118.70 125.90 1nvi s GLU 53 Ca -0.02 0.46 -0.07 0.00 0.36 0.00 0.00 54.97 55.70 1nvi s GLU 53 Cb -0.20 -2.51 -0.02 0.00 0.26 0.00 0.00 34.13 31.66 1nvi s GLU 53 CO 0.01 0.19 0.34 -3.38 -0.54 0.00 0.00 175.26 171.88 1nvi s HIS 54 N -1.98 0.74 -0.50 5.30 -3.43 -1.26 -1.37 115.29 112.79 1nvi s HIS 54 Ca 0.51 -1.03 -0.14 0.00 -0.80 0.00 0.00 55.06 53.60 1nvi s HIS 54 Cb -0.11 -0.13 0.11 0.00 -1.43 0.00 0.00 32.58 31.03 1nvi s HIS 54 CO 0.21 -0.86 0.42 -0.47 -2.00 0.00 0.00 174.74 172.04 1nvi s TYR 55 N -4.00 3.30 0.30 0.38 6.14 -1.13 -5.02 117.35 117.32 1nvi s TYR 55 Ca 0.30 -1.39 -0.30 0.00 0.64 0.00 0.00 57.07 56.32 1nvi s TYR 55 Cb 0.02 -3.54 -0.12 0.00 0.42 0.00 0.00 41.96 38.74 1nvi s TYR 55 CO 0.11 -0.96 1.42 -2.30 0.64 0.00 0.00 175.55 174.46 1nvi n PRO 56 N 5.13 2.27 0.00 4.97 -0.02 -1.26 -1.57 135.00 144.52 1nvi n PRO 56 Ca -0.12 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1nvi n PRO 56 Cb 0.41 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1nvi n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvi n GLY 57 N 1.57 2.11 0.27 -1.23 0.00 -1.26 -4.63 105.19 102.03 1nvi n GLY 57 Ca 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.77 1nvi n GLY 57 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nvi h MET 58 N 0.00 0.40 -0.12 1.61 -1.53 -1.96 -2.41 114.93 110.92 1nvi h MET 58 Ca 0.00 -0.07 -0.00 0.00 -3.44 0.00 0.00 59.70 56.19 1nvi h MET 58 Cb 0.00 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 30.98 1nvi h MET 58 CO 0.00 0.42 0.06 0.00 0.14 0.00 0.00 176.91 177.54 1nvi h THR 59 N 0.40 1.10 -0.71 -0.77 1.03 -1.55 0.17 112.91 112.57 1nvi h THR 59 Ca 0.09 -0.28 -0.07 0.00 -0.01 0.00 0.00 66.41 66.14 1nvi h THR 59 Cb 0.25 1.07 -0.03 0.00 -1.07 0.00 0.00 68.15 68.37 1nvi h THR 59 CO 0.00 0.09 0.17 -0.33 -0.01 0.00 0.00 175.52 175.45 1nvi h GLU 60 N 0.08 1.14 -0.34 0.00 3.07 -1.81 -1.67 114.58 115.06 1nvi h GLU 60 Ca 0.04 -0.28 -0.02 0.00 -0.50 0.00 0.00 59.36 58.60 1nvi h GLU 60 Cb 0.09 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1nvi h GLU 60 CO -0.01 1.01 0.12 -0.22 -1.40 0.00 0.00 179.01 178.51 1nvi h LYS 61 N 1.08 0.52 -0.46 2.33 3.64 -1.17 -1.44 116.57 121.08 1nvi h LYS 61 Ca 0.22 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1nvi h LYS 61 Cb 0.38 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1nvi h LYS 61 CO 0.00 0.54 0.28 0.00 -2.27 0.00 0.00 179.45 178.00 1nvi h ALA 62 N 0.96 0.58 -0.48 5.00 0.00 -0.39 -1.05 119.26 123.88 1nvi h ALA 62 Ca 0.11 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1nvi h ALA 62 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1nvi h ALA 62 CO -0.01 0.06 0.08 -0.07 0.00 0.00 0.00 179.25 179.32 1nvi h LEU 63 N 0.61 0.76 -1.20 0.00 3.38 -1.17 -0.93 115.31 116.75 1nvi h LEU 63 Ca 0.16 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1nvi h LEU 63 Cb -0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1nvi h LEU 63 CO -0.03 0.82 0.54 0.00 0.09 0.00 0.00 178.44 179.87 1nvi h ALA 64 N 0.96 1.44 -0.22 1.53 0.00 -1.01 -2.25 119.26 119.71 1nvi h ALA 64 Ca 0.14 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1nvi h ALA 64 Cb 0.39 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1nvi h ALA 64 CO 0.01 0.50 -0.53 0.93 0.00 0.00 0.00 179.25 180.16 1nvi h GLU 65 N 1.08 0.64 -0.42 0.00 5.08 -0.52 -1.23 114.58 119.21 1nvi h GLU 65 Ca 0.31 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1nvi h GLU 65 Cb -0.07 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1nvi h GLU 65 CO -0.08 1.01 0.15 0.82 -1.00 0.00 0.00 179.01 179.91 1nvi h ILE 66 N 0.50 1.21 -0.58 3.13 2.04 -0.86 -1.54 117.51 121.40 1nvi h ILE 66 Ca 0.01 -0.66 -0.10 0.00 1.00 0.00 0.00 64.86 65.12 1nvi h ILE 66 Cb 1.09 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1nvi h ILE 66 CO 0.11 0.24 -0.02 0.58 0.00 0.00 0.00 178.15 179.05 1nvi h VAL 67 N 0.53 1.26 -0.48 1.67 2.07 -1.34 -1.62 116.25 118.34 1nvi h VAL 67 Ca 0.14 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.58 1nvi h VAL 67 Cb 0.22 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 1nvi h VAL 67 CO -0.01 0.42 0.10 0.44 0.02 0.00 0.00 177.57 178.54 1nvi h ASP 68 N 0.94 0.01 -0.48 0.57 3.45 -0.96 -0.85 116.42 119.09 1nvi h ASP 68 Ca 0.16 0.08 -0.09 0.00 0.43 0.00 0.00 57.03 57.62 1nvi h ASP 68 Cb 0.57 0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.43 1nvi h ASP 68 CO 0.03 0.03 -0.01 -0.08 -1.57 0.00 0.00 179.24 177.65 1nvi h GLU 69 N 0.24 0.92 -0.85 3.56 4.81 -1.04 -2.33 114.58 119.89 1nvi h GLU 69 Ca 0.24 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1nvi h GLU 69 Cb 0.32 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1nvi h GLU 69 CO -0.31 0.92 0.44 0.00 -0.73 0.00 0.00 179.01 179.32 1nvi h ALA 70 N 1.14 1.10 0.00 2.92 0.00 -0.73 -2.00 119.26 121.69 1nvi h ALA 70 Ca 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1nvi h ALA 70 Cb 0.52 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1nvi h ALA 70 CO 0.03 0.63 -0.20 0.00 0.00 0.00 0.00 179.25 179.71 1nvi h ARG 71 N 1.20 0.00 0.00 0.00 3.08 -0.83 -0.68 114.38 117.16 1nvi h ARG 71 Ca 0.30 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.21 1nvi h ARG 71 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1nvi h ARG 71 CO -0.04 0.20 -0.64 -0.91 -1.07 0.00 0.00 179.97 177.51 1nvi h ASN 72 N 0.00 0.00 0.38 7.04 -0.26 -0.83 -3.33 115.58 118.57 1nvi h ASN 72 Ca -0.00 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.43 1nvi h ASN 72 Cb 0.50 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.71 1nvi h ASN 72 CO 0.03 0.64 -1.83 0.54 -1.06 0.00 0.00 177.43 175.74 1nvi n ARG 73 N -3.69 0.66 -4.15 0.81 1.74 -0.85 -4.96 116.66 106.22 1nvi n ARG 73 Ca -0.01 0.26 -0.17 0.00 -0.77 0.00 0.00 57.85 57.16 1nvi n ARG 73 Cb 0.65 -1.75 -0.12 0.00 -1.02 0.00 0.00 32.46 30.22 1nvi n ARG 73 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1nvi s TRP 74 N -2.58 1.08 -0.90 -1.55 0.51 -0.32 -5.09 118.94 110.10 1nvi s TRP 74 Ca -0.08 -0.46 -0.24 0.00 -2.12 0.00 0.00 56.10 53.20 1nvi s TRP 74 Cb 0.08 -0.62 0.05 0.00 -0.81 0.00 0.00 33.47 32.17 1nvi s TRP 74 CO 0.81 0.02 1.33 -1.25 -0.51 0.00 0.00 176.95 177.36 1nvi s PRO 75 N -1.66 3.43 0.02 4.98 0.04 -1.26 -4.39 135.00 136.16 1nvi s PRO 75 Ca -0.04 -0.89 0.01 0.00 0.04 0.00 0.00 61.00 60.12 1nvi s PRO 75 Cb -0.10 -4.87 -0.04 0.00 0.04 0.00 0.00 34.50 29.53 1nvi s PRO 75 CO 0.02 -2.12 0.08 -0.51 0.04 0.00 0.00 177.00 174.51 1nvi s LEU 76 N 4.92 3.86 0.00 -3.56 1.43 -1.26 -4.41 118.68 119.66 1nvi s LEU 76 Ca 0.40 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1nvi s LEU 76 Cb -0.04 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1nvi s LEU 76 CO -0.01 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.43 1nvi n GLY 77 N 0.99 0.65 3.76 -3.19 0.00 -0.12 -4.59 105.19 102.70 1nvi n GLY 77 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1nvi n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvi s ARG 78 N 1.57 4.52 -0.02 1.61 0.52 -1.26 -4.44 118.95 121.45 1nvi s ARG 78 Ca 0.00 1.74 0.02 0.00 -0.52 0.00 0.00 55.73 56.97 1nvi s ARG 78 Cb 0.00 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.43 1nvi s ARG 78 CO 0.00 0.13 -0.07 0.08 0.02 0.00 0.00 175.30 175.45 1nvi s VAL 79 N -1.27 0.63 -0.06 3.52 1.01 -1.01 -1.84 120.40 121.38 1nvi s VAL 79 Ca 0.48 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1nvi s VAL 79 Cb -0.30 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1nvi s VAL 79 CO 0.38 0.20 -0.14 -0.89 0.00 0.00 0.00 175.10 174.65 1nvi s THR 80 N 0.09 1.21 -0.10 3.92 2.01 -0.21 -0.71 115.64 121.86 1nvi s THR 80 Ca -0.01 -0.54 -0.00 0.00 0.31 0.00 0.00 61.69 61.44 1nvi s THR 80 Cb -0.06 -1.08 0.02 0.00 0.01 0.00 0.00 72.50 71.39 1nvi s THR 80 CO -0.00 0.37 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.55 1nvi s VAL 81 N 0.49 0.84 -0.07 3.82 1.01 -0.08 -0.55 120.40 125.84 1nvi s VAL 81 Ca -0.12 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1nvi s VAL 81 Cb -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1nvi s VAL 81 CO 0.03 0.33 -0.19 -0.63 0.00 0.00 0.00 175.10 174.65 1nvi s ILE 82 N 1.66 1.62 -0.05 2.22 1.01 -0.01 -1.44 121.20 126.22 1nvi s ILE 82 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1nvi s ILE 82 Cb -0.13 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.95 1nvi s ILE 82 CO -0.06 0.46 -0.03 -2.28 0.00 0.00 0.00 174.94 173.04 1nvi s HIS 83 N 0.36 0.68 0.56 3.97 2.46 -0.24 -0.89 115.29 122.19 1nvi s HIS 83 Ca -0.14 -0.18 -0.11 0.00 0.47 0.00 0.00 55.06 55.11 1nvi s HIS 83 Cb -0.16 -0.68 -0.05 0.00 -0.13 0.00 0.00 32.58 31.57 1nvi s HIS 83 CO 0.06 -0.23 0.95 1.03 -2.47 0.00 0.00 174.74 174.08 1nvi s ARG 84 N 1.24 3.66 0.34 2.88 0.52 -0.39 -2.84 118.95 124.36 1nvi s ARG 84 Ca -0.06 0.64 0.04 0.00 -0.52 0.00 0.00 55.73 55.84 1nvi s ARG 84 Cb -0.14 -2.18 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 1nvi s ARG 84 CO -0.02 -0.40 0.18 0.96 0.02 0.00 0.00 175.30 176.04 1nvi s ILE 85 N -2.93 0.32 0.00 1.52 -4.36 -0.96 -4.84 121.20 109.94 1nvi s ILE 85 Ca 0.54 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 1nvi s ILE 85 Cb -0.11 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 41.15 1nvi s ILE 85 CO 0.47 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.26 1nvi n GLY 86 N -0.69 -1.19 3.74 6.27 0.00 -0.75 -4.13 105.19 108.43 1nvi n GLY 86 Ca 0.01 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 1nvi n GLY 86 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nvi s GLU 87 N 0.00 4.45 0.24 1.61 -1.05 -1.26 -1.28 118.70 121.41 1nvi s GLU 87 Ca 0.00 0.96 0.04 0.00 -0.15 0.00 0.00 54.97 55.82 1nvi s GLU 87 Cb 0.00 -3.39 -0.05 0.00 -0.44 0.00 0.00 34.13 30.25 1nvi s GLU 87 CO 0.00 0.21 -0.02 -0.51 0.95 0.00 0.00 175.26 175.89 1nvi s LEU 88 N 0.24 2.29 0.18 1.83 1.43 0.48 -5.00 118.68 120.12 1nvi s LEU 88 Ca 0.37 -1.20 0.08 0.00 -1.03 0.00 0.00 54.13 52.36 1nvi s LEU 88 Cb -0.19 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 1nvi s LEU 88 CO 0.21 -0.46 -0.18 0.26 0.23 0.00 0.00 176.35 176.41 1nvi s TRP 89 N -3.31 1.82 -0.11 0.29 0.52 -1.26 -1.45 118.94 115.43 1nvi s TRP 89 Ca 0.28 -0.48 -0.39 0.00 0.02 0.00 0.00 56.10 55.52 1nvi s TRP 89 Cb 0.05 -0.89 -0.17 0.00 -1.15 0.00 0.00 33.47 31.31 1nvi s TRP 89 CO 0.09 0.35 1.48 -2.30 0.02 0.00 0.00 176.95 176.59 1nvi n PRO 90 N 0.12 0.90 0.00 4.98 -0.02 -1.26 -1.34 135.00 138.38 1nvi n PRO 90 Ca -0.12 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1nvi n PRO 90 Cb 0.58 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1nvi n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvi n GLY 91 N 3.14 2.32 3.77 -1.23 0.00 0.13 -4.94 105.19 108.38 1nvi n GLY 91 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1nvi n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nvi s ASP 92 N -1.39 6.42 -0.09 1.61 1.01 -0.45 -4.72 116.67 119.06 1nvi s ASP 92 Ca 0.00 2.41 -0.25 0.00 0.71 0.00 0.00 52.55 55.42 1nvi s ASP 92 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 1nvi s ASP 92 CO 0.00 -0.75 0.78 -1.61 0.21 0.00 0.00 175.17 173.80 1nvi s GLU 93 N -2.34 4.41 -0.16 8.23 2.02 -1.26 -0.74 118.70 128.85 1nvi s GLU 93 Ca 0.58 1.01 0.09 0.00 0.02 0.00 0.00 54.97 56.66 1nvi s GLU 93 Cb -0.32 -3.49 -0.16 0.00 0.10 0.00 0.00 34.13 30.26 1nvi s GLU 93 CO 0.40 -0.08 -0.03 1.51 0.02 0.00 0.00 175.26 177.08 1nvi n ILE 94 N 4.10 1.06 -3.84 -1.63 3.06 0.62 -4.84 119.36 117.89 1nvi n ILE 94 Ca 0.02 -0.56 -0.12 0.00 -2.50 0.00 0.00 62.75 59.59 1nvi n ILE 94 Cb 0.50 -0.82 -0.12 0.00 0.54 0.00 0.00 39.64 39.75 1nvi n ILE 94 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1nvi s VAL 95 N -2.37 0.01 -0.04 9.51 0.11 -1.01 -1.27 120.40 125.35 1nvi s VAL 95 Ca -0.14 -0.12 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 1nvi s VAL 95 Cb 0.05 -0.23 0.02 0.00 -1.53 0.00 0.00 36.38 34.69 1nvi s VAL 95 CO 0.55 -0.07 -0.03 0.12 -3.33 0.00 0.00 175.10 172.34 1nvi s PHE 96 N -0.17 0.62 -0.10 1.54 5.36 -0.07 -1.40 117.98 123.76 1nvi s PHE 96 Ca -0.02 -0.14 0.01 0.00 -0.96 0.00 0.00 56.93 55.81 1nvi s PHE 96 Cb -0.02 -0.59 0.02 0.00 -0.34 0.00 0.00 43.02 42.09 1nvi s PHE 96 CO 0.00 -0.17 -0.13 0.08 -1.46 0.00 0.00 175.22 173.54 1nvi s VAL 97 N 0.94 1.34 -0.06 3.12 1.01 -0.29 -0.83 120.40 125.63 1nvi s VAL 97 Ca -0.11 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1nvi s VAL 97 Cb -0.14 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1nvi s VAL 97 CO -0.00 0.41 -0.17 -0.83 0.00 0.00 0.00 175.10 174.50 1nvi s GLY 98 N 1.09 0.98 0.01 4.51 0.00 0.29 -0.49 107.32 113.70 1nvi s GLY 98 Ca -0.05 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.00 1nvi s GLY 98 CO -0.02 -0.24 -0.06 0.14 0.00 0.00 0.00 173.10 172.91 1nvi s VAL 99 N 0.24 0.48 0.19 1.40 1.01 -0.50 -1.04 120.40 122.18 1nvi s VAL 99 Ca -0.09 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.48 1nvi s VAL 99 Cb -0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1nvi s VAL 99 CO 0.04 -0.02 -0.19 0.42 0.00 0.00 0.00 175.10 175.34 1nvi s THR 100 N -0.51 1.99 0.26 3.92 -4.23 -0.77 -1.34 115.64 114.98 1nvi s THR 100 Ca -0.01 -2.02 -0.21 0.00 -1.18 0.00 0.00 61.69 58.27 1nvi s THR 100 Cb -0.05 -1.97 0.02 0.00 1.34 0.00 0.00 72.50 71.85 1nvi s THR 100 CO 0.00 -0.31 0.69 -0.55 -0.54 0.00 0.00 174.62 173.90 1nvi s SER 101 N -2.82 -0.28 0.30 3.99 0.15 -0.80 -0.94 113.70 113.29 1nvi s SER 101 Ca 0.19 -0.57 0.01 0.00 0.70 0.00 0.00 55.95 56.28 1nvi s SER 101 Cb -0.06 0.70 0.46 0.00 -1.71 0.00 0.00 66.02 65.41 1nvi s SER 101 CO 0.08 -1.29 1.83 0.00 1.20 0.00 0.00 173.24 175.06 1nvi h ALA 102 N 2.02 1.24 -2.26 5.45 0.00 -1.79 -0.91 119.26 123.02 1nvi h ALA 102 Ca -0.21 -0.22 -0.31 0.00 0.00 0.00 0.00 54.91 54.16 1nvi h ALA 102 Cb 1.26 -0.18 -0.15 0.00 0.00 0.00 0.00 17.79 18.71 1nvi h ALA 102 CO 0.26 0.51 -0.71 -1.01 0.00 0.00 0.00 179.25 178.30 1nvi s HIS 103 N -5.05 1.21 0.20 0.00 3.76 -1.26 -3.64 115.29 110.50 1nvi s HIS 103 Ca -0.09 -0.77 -0.02 0.00 -0.15 0.00 0.00 55.06 54.03 1nvi s HIS 103 Cb 0.15 -0.63 0.13 0.00 1.11 0.00 0.00 32.58 33.34 1nvi s HIS 103 CO 0.79 0.05 1.51 0.07 -0.85 0.00 0.00 174.74 176.31 1nvi h ARG 104 N 2.84 0.52 -0.55 1.40 0.11 -1.94 -3.22 114.38 113.54 1nvi h ARG 104 Ca -0.36 -0.33 -0.07 0.00 0.10 0.00 0.00 59.98 59.32 1nvi h ARG 104 Cb 1.19 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.28 1nvi h ARG 104 CO 0.63 0.94 0.07 0.66 0.10 0.00 0.00 179.97 182.37 1nvi h SER 105 N 0.39 0.84 -0.63 0.08 4.64 -1.99 -1.57 113.55 115.29 1nvi h SER 105 Ca 0.00 -0.18 -0.09 0.00 -0.47 0.00 0.00 61.79 61.05 1nvi h SER 105 Cb 1.10 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 1nvi h SER 105 CO 0.10 0.86 0.05 0.28 -0.87 0.00 0.00 176.83 177.25 1nvi h SER 106 N 0.83 1.06 -0.44 4.97 0.02 -1.97 -1.17 113.55 116.85 1nvi h SER 106 Ca 0.17 -0.29 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1nvi h SER 106 Cb 0.39 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1nvi h SER 106 CO 0.01 1.08 -0.04 0.00 -1.14 0.00 0.00 176.83 176.74 1nvi h ALA 107 N 1.02 0.59 -0.41 3.77 0.00 -1.48 -0.70 119.26 122.05 1nvi h ALA 107 Ca 0.19 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1nvi h ALA 107 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1nvi h ALA 107 CO 0.02 0.42 -0.01 0.74 0.00 0.00 0.00 179.25 180.43 1nvi h PHE 108 N 0.63 0.80 0.10 0.00 -1.00 -1.22 -1.22 116.94 115.03 1nvi h PHE 108 Ca 0.12 -0.14 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1nvi h PHE 108 Cb 0.55 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.90 1nvi h PHE 108 CO 0.04 0.80 -0.05 0.93 -1.61 0.00 0.00 178.31 178.43 1nvi h GLU 109 N 0.56 -0.13 -0.75 1.51 5.08 -1.17 -2.50 114.58 117.19 1nvi h GLU 109 Ca 0.12 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1nvi h GLU 109 Cb 0.49 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1nvi h GLU 109 CO 0.02 0.24 0.34 0.00 -1.00 0.00 0.00 179.01 178.61 1nvi h ALA 110 N 0.29 1.19 -0.84 3.43 0.00 -1.16 -0.13 119.26 122.05 1nvi h ALA 110 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1nvi h ALA 110 Cb 0.44 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1nvi h ALA 110 CO 0.02 0.61 0.55 0.78 0.00 0.00 0.00 179.25 181.21 1nvi h GLY 111 N 1.11 1.18 1.16 0.00 0.00 -1.18 -0.58 103.07 104.75 1nvi h GLY 111 Ca 0.26 -0.44 -0.24 0.00 0.00 0.00 0.00 47.33 46.90 1nvi h GLY 111 CO -0.03 0.44 -0.92 -1.61 0.00 0.00 0.00 176.54 174.41 1nvi h GLN 112 N 1.13 0.70 -0.46 4.80 4.15 -0.99 -2.87 115.11 121.58 1nvi h GLN 112 Ca 0.31 -0.70 0.07 0.00 0.77 0.00 0.00 58.65 59.10 1nvi h GLN 112 Cb -0.12 0.18 -0.06 0.00 0.21 0.00 0.00 27.48 27.69 1nvi h GLN 112 CO -0.07 1.29 0.09 0.35 -1.93 0.00 0.00 178.83 178.56 1nvi h PHE 113 N 0.39 0.15 -0.84 3.99 3.57 -0.87 -0.22 116.94 123.11 1nvi h PHE 113 Ca -0.10 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 1nvi h PHE 113 Cb 1.57 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.28 1nvi h PHE 113 CO 0.10 0.00 0.41 0.82 -2.23 0.00 0.00 178.31 177.42 1nvi h ILE 114 N 0.23 1.26 -0.41 1.41 2.04 -1.05 -1.14 117.51 119.83 1nvi h ILE 114 Ca 0.23 -0.71 -0.15 0.00 1.00 0.00 0.00 64.86 65.22 1nvi h ILE 114 Cb 0.29 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1nvi h ILE 114 CO -0.29 0.31 -0.34 0.24 0.00 0.00 0.00 178.15 178.07 1nvi h MET 115 N 1.19 0.95 -0.57 2.37 2.86 -1.25 -0.27 114.93 120.21 1nvi h MET 115 Ca 0.29 -0.47 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 1nvi h MET 115 Cb 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1nvi h MET 115 CO -0.04 1.13 0.19 -0.44 1.06 0.00 0.00 176.91 178.82 1nvi h ASP 116 N 0.79 0.82 -0.22 1.22 3.32 -0.57 -1.14 116.42 120.63 1nvi h ASP 116 Ca 0.08 -0.20 -0.18 0.00 0.02 0.00 0.00 57.03 56.74 1nvi h ASP 116 Cb 0.93 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 1nvi h ASP 116 CO 0.09 0.80 -0.56 1.88 -1.72 0.00 0.00 179.24 179.73 1nvi h TYR 117 N 0.80 1.03 -0.97 4.55 0.99 -1.18 -3.01 116.97 119.19 1nvi h TYR 117 Ca 0.19 -0.37 0.02 0.00 2.00 0.00 0.00 58.73 60.56 1nvi h TYR 117 Cb 0.26 -0.19 -0.05 0.00 1.00 0.00 0.00 36.73 37.75 1nvi h TYR 117 CO 0.02 1.19 0.64 1.25 -0.00 0.00 0.00 178.16 181.25 1nvi h LEU 118 N 0.63 1.08 -1.09 3.88 6.46 -0.83 0.31 115.31 125.76 1nvi h LEU 118 Ca 0.01 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1nvi h LEU 118 Cb 1.16 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.83 1nvi h LEU 118 CO 0.12 0.77 0.00 0.11 -0.62 0.00 0.00 178.44 178.82 1nvi h LYS 119 N 1.27 0.00 0.00 1.25 1.57 -1.12 -2.67 116.57 116.86 1nvi h LYS 119 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1nvi h LYS 119 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1nvi h LYS 119 CO -0.10 0.00 -0.87 0.25 -0.57 0.00 0.00 179.45 178.16 1nvi n THR 120 N -2.68 0.00 0.00 -0.16 -2.24 -0.79 -4.85 114.28 103.57 1nvi n THR 120 Ca 0.01 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1nvi n THR 120 Cb 0.27 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1nvi n THR 120 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nvi n ARG 121 N -1.47 3.76 -3.09 -0.78 1.74 0.10 -5.01 116.66 111.91 1nvi n ARG 121 Ca -0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1nvi n ARG 121 Cb 0.10 -0.56 -0.05 0.00 -1.02 0.00 0.00 32.46 30.93 1nvi n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nvi s ALA 122 N -1.02 3.52 -1.03 7.54 0.00 -1.01 -4.95 121.76 124.81 1nvi s ALA 122 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 1nvi s ALA 122 Cb 0.00 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1nvi s ALA 122 CO 0.00 -0.51 1.90 -1.25 0.00 0.00 0.00 175.76 175.91 1nvi s PRO 123 N 1.80 2.65 0.03 0.00 0.04 -1.26 -4.90 135.00 133.36 1nvi s PRO 123 Ca 0.31 -0.73 0.03 0.00 0.04 0.00 0.00 61.00 60.65 1nvi s PRO 123 Cb -0.16 -5.17 -0.02 0.00 0.04 0.00 0.00 34.50 29.19 1nvi s PRO 123 CO 0.11 -3.49 -0.11 -0.06 0.04 0.00 0.00 177.00 173.49 1nvi s PHE 124 N 9.90 0.92 -0.03 0.56 0.40 -1.26 -2.84 117.98 125.63 1nvi s PHE 124 Ca 0.67 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 1nvi s PHE 124 Cb -0.04 -0.55 0.02 0.00 0.51 0.00 0.00 43.02 42.96 1nvi s PHE 124 CO 0.04 -0.01 -0.02 -1.58 0.70 0.00 0.00 175.22 174.36 1nvi s TRP 125 N -0.83 0.43 -0.18 0.36 0.51 -0.47 -4.99 118.94 113.77 1nvi s TRP 125 Ca -0.01 -0.06 -0.11 0.00 -2.12 0.00 0.00 56.10 53.79 1nvi s TRP 125 Cb -0.07 -0.44 -0.05 0.00 -0.81 0.00 0.00 33.47 32.10 1nvi s TRP 125 CO 0.01 -0.12 0.18 0.15 -0.51 0.00 0.00 176.95 176.66 1nvi s LYS 126 N 0.76 4.11 -0.08 4.98 1.02 -1.26 -1.09 119.74 128.18 1nvi s LYS 126 Ca -0.08 -0.12 0.05 0.00 0.02 0.00 0.00 55.97 55.83 1nvi s LYS 126 Cb -0.12 -3.39 -0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1nvi s LYS 126 CO -0.01 0.35 -0.24 0.50 -0.92 0.00 0.00 175.35 175.03 1nvi s ARG 127 N 0.20 2.80 0.40 1.68 3.52 -0.50 -1.60 118.95 125.45 1nvi s ARG 127 Ca 0.11 -0.86 0.08 0.00 -0.13 0.00 0.00 55.73 54.93 1nvi s ARG 127 Cb -0.12 -2.20 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 1nvi s ARG 127 CO 0.00 0.24 0.54 -1.21 -0.81 0.00 0.00 175.30 174.06 1nvi s GLU 128 N 0.19 2.89 -0.25 5.12 2.02 0.17 -0.53 118.70 128.31 1nvi s GLU 128 Ca -0.14 -1.19 -0.09 0.00 0.02 0.00 0.00 54.97 53.57 1nvi s GLU 128 Cb -0.16 -2.76 -0.16 0.00 0.10 0.00 0.00 34.13 31.15 1nvi s GLU 128 CO 0.07 -0.18 -0.18 0.00 0.02 0.00 0.00 175.26 174.99 1nvi n ALA 129 N -1.79 1.19 -0.66 5.21 0.00 -0.67 -2.26 120.51 121.53 1nvi n ALA 129 Ca 0.06 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1nvi n ALA 129 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1nvi n ALA 129 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nvi n THR 130 N -3.89 0.00 -0.40 0.00 -2.24 -1.25 -3.80 114.28 102.70 1nvi n THR 130 Ca -0.47 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.23 1nvi n THR 130 Cb 0.91 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.07 1nvi n THR 130 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1nvi n PRO 131 N -1.17 -0.38 -1.08 -0.78 -0.02 -1.26 -2.53 135.00 127.78 1nvi n PRO 131 Ca 0.00 1.47 -0.16 0.00 -2.02 0.00 0.00 63.50 62.79 1nvi n PRO 131 Cb 0.00 -2.16 0.22 0.00 -0.02 0.00 0.00 33.50 31.53 1nvi n PRO 131 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1nvi n GLU 132 N -5.26 2.75 0.00 -0.52 4.07 -1.26 -5.00 120.64 115.41 1nvi n GLU 132 Ca 0.04 -2.84 0.00 0.00 -0.06 0.00 0.00 57.16 54.29 1nvi n GLU 132 Cb 0.28 -2.13 0.00 0.00 -0.06 0.00 0.00 31.44 29.53 1nvi n GLU 132 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nvi n GLY 133 N -0.66 2.11 3.83 8.31 0.00 -1.05 -5.10 105.19 112.64 1nvi n GLY 133 Ca 0.49 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 1nvi n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nvi s ASP 134 N 0.00 6.87 -0.04 1.61 1.01 -1.25 -3.88 116.67 120.99 1nvi s ASP 134 Ca 0.00 1.46 -0.02 0.00 0.71 0.00 0.00 52.55 54.70 1nvi s ASP 134 Cb 0.00 -2.45 0.03 0.00 1.01 0.00 0.00 42.92 41.52 1nvi s ASP 134 CO 0.00 -0.25 0.07 -0.60 0.21 0.00 0.00 175.17 174.60 1nvi s ARG 135 N -2.97 -0.07 0.00 8.23 3.52 -0.96 -4.97 118.95 121.73 1nvi s ARG 135 Ca 0.56 0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 56.25 1nvi s ARG 135 Cb -0.10 -0.49 -0.05 0.00 -1.56 0.00 0.00 34.95 32.74 1nvi s ARG 135 CO 0.16 -0.33 1.33 -1.58 -0.81 0.00 0.00 175.30 174.07 1nvi s TRP 136 N 2.18 3.04 0.39 5.12 0.52 -1.26 -0.65 118.94 128.27 1nvi s TRP 136 Ca 0.05 0.99 -0.27 0.00 0.02 0.00 0.00 56.10 56.88 1nvi s TRP 136 Cb -0.12 -3.58 -0.11 0.00 -1.15 0.00 0.00 33.47 28.52 1nvi s TRP 136 CO -0.03 -2.02 1.41 0.28 0.02 0.00 0.00 176.95 176.61 1nvi n VAL 137 N 4.51 2.23 -3.24 4.03 0.31 -0.63 -4.96 118.33 120.58 1nvi n VAL 137 Ca 0.12 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.56 1nvi n VAL 137 Cb 0.44 -1.82 -0.06 0.00 -0.91 0.00 0.00 33.84 31.50 1nvi n VAL 137 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1nvi s GLU 138 N -2.14 4.27 0.77 5.55 2.02 -1.26 -4.84 118.70 123.06 1nvi s GLU 138 Ca 0.56 0.71 -0.11 0.00 0.02 0.00 0.00 54.97 56.15 1nvi s GLU 138 Cb -0.49 -3.31 0.05 0.00 0.10 0.00 0.00 34.13 30.48 1nvi s GLU 138 CO 0.62 0.45 1.08 0.00 0.02 0.00 0.00 175.26 177.43 1nvi s ALA 139 N -0.46 2.31 -0.07 5.21 0.00 -1.26 -5.07 121.76 122.42 1nvi s ALA 139 Ca 0.30 0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.38 1nvi s ALA 139 Cb -0.18 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1nvi s ALA 139 CO 0.17 -1.64 -0.24 1.03 0.00 0.00 0.00 175.76 175.08 1nvi s ARG 140 N -5.00 2.74 0.45 0.00 0.52 -1.26 -5.01 118.95 111.38 1nvi s ARG 140 Ca 0.60 -0.88 0.11 0.00 -0.52 0.00 0.00 55.73 55.04 1nvi s ARG 140 Cb -0.16 -2.24 1.01 0.00 0.52 0.00 0.00 34.95 34.08 1nvi s ARG 140 CO 0.55 0.33 2.07 1.49 0.02 0.00 0.00 175.30 179.76 1nvi h GLU 141 N 6.25 0.29 -0.41 3.54 4.57 -2.00 -2.30 114.58 124.52 1nvi h GLU 141 Ca -0.28 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 57.91 1nvi h GLU 141 Cb 1.20 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 1nvi h GLU 141 CO 0.48 0.22 0.27 0.66 -1.18 0.00 0.00 179.01 179.46 1nvi h SER 142 N 0.30 0.35 -0.06 1.04 4.64 -1.99 -0.38 113.55 117.44 1nvi h SER 142 Ca 0.08 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.27 1nvi h SER 142 Cb 0.02 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1nvi h SER 142 CO -0.01 0.24 -0.36 0.44 -0.87 0.00 0.00 176.83 176.27 1nvi h ASP 143 N 0.41 0.59 -0.76 4.97 3.32 -1.83 -1.21 116.42 121.91 1nvi h ASP 143 Ca 0.17 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.98 1nvi h ASP 143 Cb 0.17 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1nvi h ASP 143 CO -0.04 0.90 0.50 1.56 -1.72 0.00 0.00 179.24 180.44 1nvi h GLN 144 N 0.47 1.00 -0.40 3.56 1.08 -1.12 -1.84 115.11 117.87 1nvi h GLN 144 Ca 0.05 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1nvi h GLN 144 Cb 0.85 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 28.04 1nvi h GLN 144 CO 0.07 0.67 0.13 1.96 -0.95 0.00 0.00 178.83 180.71 1nvi h GLN 145 N 1.03 0.62 -0.64 1.46 4.20 -1.14 -2.04 115.11 118.60 1nvi h GLN 145 Ca 0.28 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.89 1nvi h GLN 145 Cb -0.11 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.55 1nvi h GLN 145 CO -0.06 0.62 0.42 0.00 -0.67 0.00 0.00 178.83 179.14 1nvi h ALA 146 N 0.97 1.67 0.15 3.87 0.00 -1.06 -2.72 119.26 122.14 1nvi h ALA 146 Ca 0.13 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 1nvi h ALA 146 Cb 0.25 -0.21 0.03 0.00 0.00 0.00 0.00 17.79 17.87 1nvi h ALA 146 CO -0.00 0.26 -1.14 0.00 0.00 0.00 0.00 179.25 178.37 1nvi h ALA 147 N 1.63 -0.06 0.00 0.00 0.00 -1.09 -3.34 119.26 116.39 1nvi h ALA 147 Ca 0.26 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1nvi h ALA 147 Cb 0.10 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nvi h ALA 147 CO -0.07 0.58 0.00 0.87 0.00 0.00 0.00 179.25 180.62 1nvi h LYS 148 N 0.05 0.00 0.00 0.00 1.57 -1.26 -3.12 116.57 113.81 1nvi h LYS 148 Ca -0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1nvi h LYS 148 Cb 1.85 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.16 1nvi h LYS 148 CO 0.22 0.00 -0.06 0.07 -0.57 0.00 0.00 179.45 179.10 1nvi h ARG 149 N 0.00 0.00 -0.00 3.15 -0.00 -1.61 -3.51 114.38 112.41 1nvi h ARG 149 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1nvi h ARG 149 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.70 1nvi h ARG 149 CO 0.00 0.06 0.00 0.91 -0.00 0.00 0.00 179.97 180.94