#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvi s VAL 2 N 0.00 0.50 -0.22 1.12 0.11 -0.59 -0.32 120.40 121.00 1nvi s VAL 2 Ca 0.00 -0.12 -0.17 0.00 -2.93 0.00 0.00 61.98 58.76 1nvi s VAL 2 Cb 0.00 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1nvi s VAL 2 CO 0.00 0.21 0.48 -0.75 -3.33 0.00 0.00 175.10 171.71 1nvi s LYS 3 N 0.84 4.14 -0.17 1.54 2.20 -0.77 -0.90 119.74 126.63 1nvi s LYS 3 Ca -0.11 0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 55.79 1nvi s LYS 3 Cb -0.14 -3.59 -0.01 0.00 -1.51 0.00 0.00 37.83 32.58 1nvi s LYS 3 CO 0.00 -0.19 -0.08 0.08 -0.36 0.00 0.00 175.35 174.80 1nvi s VAL 4 N 1.78 3.33 0.12 4.02 1.01 0.68 -0.65 120.40 130.69 1nvi s VAL 4 Ca 0.21 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1nvi s VAL 4 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1nvi s VAL 4 CO 0.09 0.48 -0.07 -0.76 0.00 0.00 0.00 175.10 174.84 1nvi s LEU 5 N 0.81 3.15 0.05 3.92 1.43 0.80 -0.62 118.68 128.23 1nvi s LEU 5 Ca -0.03 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 1nvi s LEU 5 Cb -0.15 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1nvi s LEU 5 CO 0.01 0.15 -0.14 -0.36 0.23 0.00 0.00 176.35 176.24 1nvi s PHE 6 N -1.37 1.24 0.08 0.29 0.40 -0.70 -1.55 117.98 116.35 1nvi s PHE 6 Ca 0.24 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1nvi s PHE 6 Cb -0.11 -0.72 -0.04 0.00 0.51 0.00 0.00 43.02 42.66 1nvi s PHE 6 CO 0.15 0.04 -0.06 -0.06 0.70 0.00 0.00 175.22 176.00 1nvi s PHE 7 N -0.98 0.76 0.00 0.36 0.40 -1.14 -4.62 117.98 112.75 1nvi s PHE 7 Ca 0.01 -0.86 0.00 0.00 -0.60 0.00 0.00 56.93 55.48 1nvi s PHE 7 Cb -0.09 -0.46 0.00 0.00 0.51 0.00 0.00 43.02 42.98 1nvi s PHE 7 CO 0.02 -0.18 0.00 0.00 0.70 0.00 0.00 175.22 175.75 1nvi n ALA 8 N 0.31 0.00 -0.23 5.36 0.00 -1.26 -2.23 120.51 122.45 1nvi n ALA 8 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.42 1nvi n ALA 8 Cb 0.60 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.46 1nvi n ALA 8 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1nvi h GLN 9 N 0.00 0.59 -0.23 0.00 7.50 -1.99 -1.26 115.11 119.73 1nvi h GLN 9 Ca 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 1nvi h GLN 9 Cb 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.39 1nvi h GLN 9 CO 0.00 0.39 0.09 0.28 -1.50 0.00 0.00 178.83 178.09 1nvi h VAL 10 N 0.61 1.17 -0.41 -0.54 2.07 -1.74 -1.69 116.25 115.71 1nvi h VAL 10 Ca 0.42 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1nvi h VAL 10 Cb 0.74 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1nvi h VAL 10 CO -0.18 0.17 0.25 -0.09 0.02 0.00 0.00 177.57 177.75 1nvi h ARG 11 N 0.21 0.50 -0.64 1.57 2.43 -1.03 -1.31 114.38 116.12 1nvi h ARG 11 Ca 0.08 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1nvi h ARG 11 Cb 0.18 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1nvi h ARG 11 CO -0.01 0.33 0.37 0.93 -1.51 0.00 0.00 179.97 180.09 1nvi h GLU 12 N 0.51 0.87 -0.21 0.20 5.08 -1.14 -1.03 114.58 118.87 1nvi h GLU 12 Ca 0.16 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 1nvi h GLU 12 Cb -0.02 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1nvi h GLU 12 CO -0.06 0.63 -0.60 -0.07 -1.00 0.00 0.00 179.01 177.91 1nvi h LEU 13 N 0.86 0.89 -0.59 1.33 3.38 -1.17 -3.14 115.31 116.87 1nvi h LEU 13 Ca 0.23 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1nvi h LEU 13 Cb -0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1nvi h LEU 13 CO -0.04 1.31 -0.10 -0.37 0.09 0.00 0.00 178.44 179.33 1nvi h VAL 14 N 0.51 0.19 -0.04 1.22 -1.51 -1.20 -3.45 116.25 111.97 1nvi h VAL 14 Ca -0.02 -1.03 -0.02 0.00 -1.23 0.00 0.00 66.70 64.40 1nvi h VAL 14 Cb 1.22 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 32.25 1nvi h VAL 14 CO 0.13 0.10 -0.02 0.61 -1.23 0.00 0.00 177.57 177.16 1nvi n GLY 15 N 0.67 0.48 3.29 5.19 0.00 -0.40 -5.03 105.19 109.39 1nvi n GLY 15 Ca 0.02 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 1nvi n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nvi s THR 16 N -2.01 0.07 0.18 2.61 -1.32 -1.22 -5.05 115.64 108.90 1nvi s THR 16 Ca 0.00 -0.56 0.08 0.00 -1.21 0.00 0.00 61.69 60.00 1nvi s THR 16 Cb 0.00 -0.95 -0.14 0.00 -1.51 0.00 0.00 72.50 69.90 1nvi s THR 16 CO 0.00 -0.31 1.41 0.44 -2.21 0.00 0.00 174.62 173.94 1nvi h ASP 17 N 3.10 0.01 -4.38 8.08 3.45 -1.87 -3.43 116.42 121.38 1nvi h ASP 17 Ca -0.31 -0.01 0.06 0.00 0.43 0.00 0.00 57.03 57.20 1nvi h ASP 17 Cb 1.20 -0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.76 1nvi h ASP 17 CO 0.45 0.86 0.47 0.00 -1.57 0.00 0.00 179.24 179.45 1nvi s ALA 18 N -3.06 -1.88 -0.11 3.45 0.00 -1.26 -1.72 121.76 117.18 1nvi s ALA 18 Ca 0.00 1.42 -0.19 0.00 0.00 0.00 0.00 51.96 53.19 1nvi s ALA 18 Cb 0.11 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.92 1nvi s ALA 18 CO 0.80 -0.40 0.46 -0.08 0.00 0.00 0.00 175.76 176.55 1nvi s THR 19 N -1.55 0.02 -0.36 0.00 -1.32 0.21 -5.00 115.64 107.64 1nvi s THR 19 Ca -0.02 -0.14 -0.11 0.00 -1.21 0.00 0.00 61.69 60.21 1nvi s THR 19 Cb -0.00 -0.71 0.02 0.00 -1.51 0.00 0.00 72.50 70.29 1nvi s THR 19 CO 0.01 -0.07 0.21 -1.61 -2.21 0.00 0.00 174.62 170.94 1nvi s GLU 20 N -0.44 2.98 -0.32 7.08 2.02 -1.26 -0.23 118.70 128.54 1nvi s GLU 20 Ca -0.06 -0.98 -0.11 0.00 0.02 0.00 0.00 54.97 53.85 1nvi s GLU 20 Cb -0.03 -3.73 -0.02 0.00 0.10 0.00 0.00 34.13 30.45 1nvi s GLU 20 CO 0.03 -0.64 0.19 0.54 0.02 0.00 0.00 175.26 175.41 1nvi s VAL 21 N 1.59 4.95 -1.31 2.63 0.11 -0.07 -4.95 120.40 123.35 1nvi s VAL 21 Ca 0.03 -0.27 -0.11 0.00 -2.93 0.00 0.00 61.98 58.70 1nvi s VAL 21 Cb -0.19 -3.51 0.14 0.00 -1.53 0.00 0.00 36.38 31.29 1nvi s VAL 21 CO 0.07 0.06 1.88 0.00 -3.33 0.00 0.00 175.10 173.78 1nvi n ALA 22 N 5.04 5.17 -3.48 1.54 0.00 -1.26 -1.53 120.51 125.98 1nvi n ALA 22 Ca -0.13 -4.22 -0.15 0.00 0.00 0.00 0.00 53.44 48.94 1nvi n ALA 22 Cb 0.50 -3.11 -0.04 0.00 0.00 0.00 0.00 19.45 16.80 1nvi n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nvi s ALA 23 N 1.15 -1.70 -0.15 0.00 0.00 -1.26 -4.90 121.76 114.89 1nvi s ALA 23 Ca 0.42 0.95 -0.09 0.00 0.00 0.00 0.00 51.96 53.24 1nvi s ALA 23 Cb 0.09 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 1nvi s ALA 23 CO -0.01 -0.55 0.15 0.34 0.00 0.00 0.00 175.76 175.69 1nvi s ASP 24 N -1.91 6.33 0.03 0.00 -1.08 -1.26 -4.35 116.67 114.43 1nvi s ASP 24 Ca -0.05 0.39 0.04 0.00 -0.52 0.00 0.00 52.55 52.41 1nvi s ASP 24 Cb -0.00 -2.09 -0.02 0.00 -1.46 0.00 0.00 42.92 39.35 1nvi s ASP 24 CO -0.01 0.29 -0.11 -0.36 0.52 0.00 0.00 175.17 175.50 1nvi s PHE 25 N -0.36 0.96 0.22 -5.34 0.40 -1.26 -5.07 117.98 107.53 1nvi s PHE 25 Ca 0.12 -0.32 -0.05 0.00 -0.60 0.00 0.00 56.93 56.09 1nvi s PHE 25 Cb -0.12 -0.58 0.19 0.00 0.51 0.00 0.00 43.02 43.03 1nvi s PHE 25 CO 0.02 -0.00 1.65 -1.00 0.70 0.00 0.00 175.22 176.58 1nvi h PRO 26 N 5.12 0.81 -4.36 0.24 0.13 -1.96 -3.38 132.00 128.60 1nvi h PRO 26 Ca -0.35 -0.30 -0.18 0.00 -0.87 0.00 0.00 66.00 64.30 1nvi h PRO 26 Cb 1.19 -0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.12 1nvi h PRO 26 CO 0.45 0.92 -0.59 0.95 -0.23 0.00 0.00 178.00 179.50 1nvi s THR 27 N -4.69 0.09 0.24 1.56 -4.23 -1.26 -2.02 115.64 105.32 1nvi s THR 27 Ca -0.10 -1.84 -0.05 0.00 -1.18 0.00 0.00 61.69 58.52 1nvi s THR 27 Cb 0.13 -2.06 0.20 0.00 1.34 0.00 0.00 72.50 72.11 1nvi s THR 27 CO 0.83 -0.40 1.75 0.58 -0.54 0.00 0.00 174.62 176.85 1nvi h VAL 28 N 2.79 0.75 -0.79 2.29 2.07 -1.33 -1.85 116.25 120.18 1nvi h VAL 28 Ca -0.35 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1nvi h VAL 28 Cb 1.21 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1nvi h VAL 28 CO 0.57 0.10 0.31 -0.08 0.02 0.00 0.00 177.57 178.48 1nvi h GLU 29 N 0.52 1.18 -0.60 1.57 4.57 -1.24 0.18 114.58 120.76 1nvi h GLU 29 Ca 0.39 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1nvi h GLU 29 Cb 0.51 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1nvi h GLU 29 CO -0.34 0.96 0.26 0.00 -1.18 0.00 0.00 179.01 178.71 1nvi h ALA 30 N 1.16 0.78 -0.31 2.92 0.00 -1.69 -0.24 119.26 121.88 1nvi h ALA 30 Ca 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1nvi h ALA 30 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nvi h ALA 30 CO -0.02 0.37 0.17 1.25 0.00 0.00 0.00 179.25 181.02 1nvi h LEU 31 N 0.83 0.39 -0.38 0.00 5.85 -0.91 -2.39 115.31 118.71 1nvi h LEU 31 Ca 0.20 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1nvi h LEU 31 Cb 0.17 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1nvi h LEU 31 CO -0.02 0.38 0.17 -0.09 -0.34 0.00 0.00 178.44 178.54 1nvi h ARG 32 N 0.38 0.34 -0.42 1.25 2.43 -0.19 -0.86 114.38 117.31 1nvi h ARG 32 Ca 0.11 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1nvi h ARG 32 Cb 0.08 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1nvi h ARG 32 CO -0.02 0.23 0.24 1.96 -1.51 0.00 0.00 179.97 180.87 1nvi h GLN 33 N 0.35 0.57 -0.29 0.20 4.20 -0.94 0.11 115.11 119.32 1nvi h GLN 33 Ca 0.16 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 1nvi h GLN 33 Cb 0.10 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1nvi h GLN 33 CO -0.13 0.45 -0.20 0.45 -0.67 0.00 0.00 178.83 178.72 1nvi h HIS 34 N 0.55 0.59 -0.24 2.96 3.86 -1.00 -2.08 115.15 119.78 1nvi h HIS 34 Ca 0.15 -0.11 -0.12 0.00 -1.16 0.00 0.00 60.37 59.12 1nvi h HIS 34 Cb 0.03 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1nvi h HIS 34 CO -0.03 0.70 -0.33 0.52 0.86 0.00 0.00 177.93 179.65 1nvi h MET 35 N 0.48 0.65 -0.51 2.45 2.86 -0.85 -3.19 114.93 116.82 1nvi h MET 35 Ca 0.08 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1nvi h MET 35 Cb 0.62 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 1nvi h MET 35 CO 0.04 0.99 0.32 0.00 1.06 0.00 0.00 176.91 179.32 1nvi h ALA 36 N 0.65 1.59 0.00 6.32 0.00 -0.84 -2.58 119.26 124.42 1nvi h ALA 36 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nvi h ALA 36 Cb 0.91 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1nvi h ALA 36 CO 0.08 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1nvi n ALA 37 N -2.46 2.33 -0.17 0.00 0.00 -0.80 -2.56 120.51 116.85 1nvi n ALA 37 Ca 0.05 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.26 1nvi n ALA 37 Cb 0.07 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.15 1nvi n ALA 37 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1nvi h GLN 38 N 0.00 0.73 -2.07 0.00 4.20 -1.55 -3.48 115.11 112.93 1nvi h GLN 38 Ca 0.00 -0.13 0.24 0.00 0.06 0.00 0.00 58.65 58.81 1nvi h GLN 38 Cb 0.05 -0.12 -0.08 0.00 0.30 0.00 0.00 27.48 27.63 1nvi h GLN 38 CO 0.00 0.65 0.65 -1.54 -0.67 0.00 0.00 178.83 177.93 1nvi s SER 39 N -5.97 -0.08 0.27 1.46 1.04 -1.25 -5.04 113.70 104.13 1nvi s SER 39 Ca -0.13 -0.36 -0.04 0.00 0.48 0.00 0.00 55.95 55.90 1nvi s SER 39 Cb 0.11 0.36 0.35 0.00 0.10 0.00 0.00 66.02 66.94 1nvi s SER 39 CO 0.77 -0.67 1.92 0.44 0.98 0.00 0.00 173.24 176.68 1nvi h ASP 40 N 2.00 1.08 0.05 7.02 3.32 -1.93 -1.62 116.42 126.34 1nvi h ASP 40 Ca -0.27 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.63 1nvi h ASP 40 Cb 1.21 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1nvi h ASP 40 CO 0.29 0.75 -0.46 0.08 -1.72 0.00 0.00 179.24 178.18 1nvi h ARG 41 N 1.26 0.49 -0.47 3.56 0.11 -1.93 -1.86 114.38 115.53 1nvi h ARG 41 Ca 0.38 -0.27 -0.12 0.00 0.10 0.00 0.00 59.98 60.07 1nvi h ARG 41 Cb -0.03 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.04 1nvi h ARG 41 CO -0.11 0.85 -0.18 -1.49 0.10 0.00 0.00 179.97 179.14 1nvi h TRP 42 N 0.39 1.06 -0.52 4.08 4.06 -1.71 -1.62 115.95 121.71 1nvi h TRP 42 Ca 0.03 -0.24 -0.09 0.00 2.06 0.00 0.00 58.89 60.64 1nvi h TRP 42 Cb 0.96 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.84 1nvi h TRP 42 CO 0.03 1.03 -0.04 0.00 -3.56 0.00 0.00 178.44 175.90 1nvi h ALA 43 N 0.96 0.70 -0.41 1.49 0.00 -1.03 -1.63 119.26 119.34 1nvi h ALA 43 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nvi h ALA 43 Cb 0.74 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1nvi h ALA 43 CO 0.06 0.55 0.26 1.25 0.00 0.00 0.00 179.25 181.37 1nvi h LEU 44 N 0.81 0.48 -0.67 0.00 7.12 -1.30 -0.66 115.31 121.10 1nvi h LEU 44 Ca 0.14 -0.03 -0.10 0.00 0.13 0.00 0.00 57.88 58.02 1nvi h LEU 44 Cb 0.58 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 1nvi h LEU 44 CO 0.04 0.37 -0.09 0.00 -0.13 0.00 0.00 178.44 178.62 1nvi h ALA 45 N 1.13 0.86 -0.43 1.25 0.00 -1.15 -3.27 119.26 117.65 1nvi h ALA 45 Ca 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1nvi h ALA 45 Cb -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1nvi h ALA 45 CO -0.03 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.15 1nvi n LEU 46 N -4.16 3.17 -4.74 0.00 4.77 -0.63 -4.75 117.00 110.67 1nvi n LEU 46 Ca 0.02 -1.94 -0.37 0.00 -0.03 0.00 0.00 56.01 53.69 1nvi n LEU 46 Cb 0.38 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1nvi n LEU 46 CO 0.44 0.78 0.89 -0.70 -1.33 0.00 0.00 177.39 177.48 1nvi s GLU 47 N -1.01 2.71 0.00 3.23 2.12 -0.26 -5.00 118.70 120.48 1nvi s GLU 47 Ca 0.30 2.01 0.00 0.00 0.36 0.00 0.00 54.97 57.64 1nvi s GLU 47 Cb 0.16 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.65 1nvi s GLU 47 CO 0.21 -1.46 0.00 -0.25 -0.54 0.00 0.00 175.26 173.21 1nvi n ASP 48 N -1.76 0.00 -0.40 -1.70 9.92 -1.26 -4.62 116.55 116.73 1nvi n ASP 48 Ca 0.15 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.53 1nvi n ASP 48 Cb 0.48 0.00 0.50 0.00 -0.64 0.00 0.00 41.12 41.46 1nvi n ASP 48 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nvi n GLY 49 N -1.01 -0.11 0.09 0.44 0.00 -1.26 -3.71 105.19 99.63 1nvi n GLY 49 Ca 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 1nvi n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1nvi n LYS 50 N -0.01 0.64 -1.62 1.61 -0.00 -1.26 -5.01 118.16 112.51 1nvi n LYS 50 Ca 0.17 0.22 -0.45 0.00 -0.00 0.00 0.00 58.31 58.25 1nvi n LYS 50 Cb 0.28 -1.75 -0.02 0.00 -0.00 0.00 0.00 35.03 33.54 1nvi n LYS 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1nvi n LEU 51 N -2.94 2.21 -4.80 -5.58 7.94 -1.24 -4.28 117.00 108.30 1nvi n LEU 51 Ca -0.18 1.17 -0.22 0.00 -1.11 0.00 0.00 56.01 55.67 1nvi n LEU 51 Cb 1.01 -1.32 -0.05 0.00 0.53 0.00 0.00 43.42 43.59 1nvi n LEU 51 CO 0.44 -1.09 -0.18 -0.76 -1.11 0.00 0.00 177.39 174.69 1nvi s LEU 52 N 0.23 3.69 -0.01 -1.96 1.43 0.20 -4.97 118.68 117.28 1nvi s LEU 52 Ca 0.63 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.32 1nvi s LEU 52 Cb -0.71 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.29 1nvi s LEU 52 CO 0.57 -0.08 0.11 0.00 0.23 0.00 0.00 176.35 177.18 1nvi s ALA 53 N -2.19 -0.27 -0.01 4.21 0.00 -1.26 -2.04 121.76 120.21 1nvi s ALA 53 Ca 0.34 -0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.33 1nvi s ALA 53 Cb -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1nvi s ALA 53 CO 0.24 -0.15 -0.16 0.00 0.00 0.00 0.00 175.76 175.69 1nvi s ALA 54 N -0.89 1.32 -0.13 0.00 0.00 -0.49 -1.77 121.76 119.80 1nvi s ALA 54 Ca -0.10 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1nvi s ALA 54 Cb -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1nvi s ALA 54 CO 0.01 0.32 -0.19 0.08 0.00 0.00 0.00 175.76 175.97 1nvi s VAL 55 N -0.41 2.36 -1.60 0.00 1.01 -0.55 -0.95 120.40 120.26 1nvi s VAL 55 Ca 0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1nvi s VAL 55 Cb -0.06 -1.96 0.10 0.00 0.00 0.00 0.00 36.38 34.46 1nvi s VAL 55 CO -0.00 0.54 0.65 0.59 0.00 0.00 0.00 175.10 176.88 1nvi n ASN 56 N 3.87 -2.29 -1.65 3.32 3.02 0.35 -2.10 115.26 119.78 1nvi n ASN 56 Ca -0.19 -1.01 -0.14 0.00 -0.03 0.00 0.00 54.58 53.21 1nvi n ASN 56 Cb 0.52 -2.87 -0.01 0.00 -0.61 0.00 0.00 39.78 36.82 1nvi n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nvi n GLN 57 N -4.42 -1.24 -4.61 3.52 6.02 -1.26 -5.02 117.38 110.38 1nvi n GLN 57 Ca -0.06 0.69 -0.25 0.00 -0.01 0.00 0.00 57.00 57.37 1nvi n GLN 57 Cb 0.56 -4.98 -0.17 0.00 1.02 0.00 0.00 30.24 26.68 1nvi n GLN 57 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1nvi s THR 58 N -2.72 1.17 0.42 5.09 2.01 -0.89 -5.11 115.64 115.60 1nvi s THR 58 Ca 0.01 -0.50 -0.26 0.00 0.31 0.00 0.00 61.69 61.25 1nvi s THR 58 Cb -0.00 -1.06 -0.09 0.00 0.01 0.00 0.00 72.50 71.35 1nvi s THR 58 CO 0.01 0.36 1.44 0.18 -0.69 0.00 0.00 174.62 175.93 1nvi n LEU 59 N 3.81 4.94 -3.72 4.42 4.77 -1.26 -1.48 117.00 128.49 1nvi n LEU 59 Ca -0.23 1.16 -0.14 0.00 -0.03 0.00 0.00 56.01 56.77 1nvi n LEU 59 Cb 0.52 -1.60 -0.08 0.00 -2.33 0.00 0.00 43.42 39.92 1nvi n LEU 59 CO 0.25 -0.07 0.11 0.54 -1.33 0.00 0.00 177.39 176.89 1nvi s VAL 60 N -1.17 0.04 0.74 4.08 0.11 -0.73 -4.88 120.40 118.59 1nvi s VAL 60 Ca 0.58 -0.29 -0.11 0.00 -2.93 0.00 0.00 61.98 59.23 1nvi s VAL 60 Cb -0.46 -0.67 0.03 0.00 -1.53 0.00 0.00 36.38 33.75 1nvi s VAL 60 CO 0.60 -0.16 1.07 -0.94 -3.33 0.00 0.00 175.10 172.34 1nvi s SER 61 N -0.96 4.97 0.00 3.54 1.04 -1.26 -4.41 113.70 116.62 1nvi s SER 61 Ca -0.10 1.58 0.23 0.00 0.48 0.00 0.00 55.95 58.14 1nvi s SER 61 Cb -0.04 -2.39 1.07 0.00 0.10 0.00 0.00 66.02 64.76 1nvi s SER 61 CO 0.04 -1.70 1.75 0.49 0.98 0.00 0.00 173.24 174.81 1nvi n PHE 62 N -3.29 0.00 1.34 5.02 3.01 -1.26 -1.83 117.46 120.45 1nvi n PHE 62 Ca 0.08 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.63 1nvi n PHE 62 Cb 0.54 -0.41 0.38 0.00 -0.01 0.00 0.00 39.48 39.98 1nvi n PHE 62 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1nvi n ASP 63 N -1.41 1.37 -4.73 4.37 3.85 -1.26 -0.75 116.55 117.99 1nvi n ASP 63 Ca 0.08 -1.69 -0.42 0.00 -0.71 0.00 0.00 54.79 52.05 1nvi n ASP 63 Cb 0.23 -0.10 -0.03 0.00 -1.35 0.00 0.00 41.12 39.88 1nvi n ASP 63 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 1nvi s HIS 64 N -1.81 2.97 0.60 2.11 2.46 -0.76 -4.79 115.29 116.08 1nvi s HIS 64 Ca 0.30 0.63 -0.18 0.00 0.47 0.00 0.00 55.06 56.29 1nvi s HIS 64 Cb 0.16 -3.99 -0.03 0.00 -0.13 0.00 0.00 32.58 28.59 1nvi s HIS 64 CO 0.24 -3.56 1.17 -1.25 -2.47 0.00 0.00 174.74 168.87 1nvi s PRO 65 N 0.69 2.97 0.01 2.88 0.04 -1.26 -1.68 135.00 138.65 1nvi s PRO 65 Ca 0.69 1.69 0.07 0.00 0.04 0.00 0.00 61.00 63.49 1nvi s PRO 65 Cb -0.46 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1nvi s PRO 65 CO 0.36 -1.18 -0.22 -0.51 0.04 0.00 0.00 177.00 175.49 1nvi s LEU 66 N -4.23 2.38 0.22 -3.56 1.43 -0.86 -4.80 118.68 109.26 1nvi s LEU 66 Ca 0.74 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.44 1nvi s LEU 66 Cb -0.27 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1nvi s LEU 66 CO 0.34 0.29 -0.03 0.42 0.23 0.00 0.00 176.35 177.59 1nvi s THR 67 N -0.79 1.13 0.06 5.49 -4.23 -1.26 -4.77 115.64 111.27 1nvi s THR 67 Ca 0.12 -2.05 -0.37 0.00 -1.18 0.00 0.00 61.69 58.21 1nvi s THR 67 Cb -0.10 -2.24 -0.18 0.00 1.34 0.00 0.00 72.50 71.32 1nvi s THR 67 CO 0.02 -0.42 1.20 -0.67 -0.54 0.00 0.00 174.62 174.21 1nvi n ASP 68 N -0.38 0.90 0.00 3.99 2.03 -1.26 -1.91 116.55 119.92 1nvi n ASP 68 Ca -0.06 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.38 1nvi n ASP 68 Cb 0.63 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1nvi n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nvi n GLY 69 N 2.07 0.74 3.78 0.27 0.00 0.56 -4.90 105.19 107.71 1nvi n GLY 69 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1nvi n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nvi s ASP 70 N -2.55 5.76 -0.25 1.61 1.01 -0.80 -4.85 116.67 116.60 1nvi s ASP 70 Ca 0.00 2.04 -0.09 0.00 0.71 0.00 0.00 52.55 55.22 1nvi s ASP 70 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1nvi s ASP 70 CO 0.00 -1.18 0.11 -0.70 0.21 0.00 0.00 175.17 173.61 1nvi s GLU 71 N -3.52 3.83 -0.05 8.23 2.12 -1.26 -1.84 118.70 126.21 1nvi s GLU 71 Ca 0.69 -0.39 0.07 0.00 0.36 0.00 0.00 54.97 55.70 1nvi s GLU 71 Cb -0.21 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.75 1nvi s GLU 71 CO 0.29 -0.09 -0.25 0.08 -0.54 0.00 0.00 175.26 174.75 1nvi s VAL 72 N 1.41 2.05 -0.03 3.70 1.01 0.17 -0.50 120.40 128.21 1nvi s VAL 72 Ca 0.06 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 61.00 1nvi s VAL 72 Cb -0.15 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 1nvi s VAL 72 CO 0.05 0.57 -0.15 0.00 0.00 0.00 0.00 175.10 175.58 1nvi s ALA 73 N -0.30 1.32 -0.09 5.51 0.00 -0.13 -0.14 121.76 127.94 1nvi s ALA 73 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1nvi s ALA 73 Cb -0.13 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1nvi s ALA 73 CO 0.02 0.26 -0.17 -0.06 0.00 0.00 0.00 175.76 175.81 1nvi s PHE 74 N -0.05 2.68 0.15 0.00 0.40 -0.60 -1.40 117.98 119.17 1nvi s PHE 74 Ca -0.01 -0.57 -0.24 0.00 -0.60 0.00 0.00 56.93 55.51 1nvi s PHE 74 Cb -0.09 -1.72 0.07 0.00 0.51 0.00 0.00 43.02 41.78 1nvi s PHE 74 CO 0.01 -0.13 0.69 -0.59 0.70 0.00 0.00 175.22 175.90 1nvi s PHE 75 N -0.05 -0.43 0.93 0.36 -0.12 -0.86 -2.88 117.98 114.94 1nvi s PHE 75 Ca -0.04 0.18 -0.12 0.00 -0.05 0.00 0.00 56.93 56.90 1nvi s PHE 75 Cb -0.14 0.59 0.15 0.00 -0.63 0.00 0.00 43.02 42.98 1nvi s PHE 75 CO 0.04 -0.86 1.13 -2.14 -0.05 0.00 0.00 175.22 173.34 1nvi s PRO 76 N -3.65 0.97 0.20 1.99 0.02 -1.26 -0.63 135.00 132.64 1nvi s PRO 76 Ca 0.04 0.31 -0.31 0.00 0.02 0.00 0.00 61.00 61.06 1nvi s PRO 76 Cb -0.02 -1.82 -0.15 0.00 0.02 0.00 0.00 34.50 32.53 1nvi s PRO 76 CO -0.08 -2.32 1.10 -2.30 -0.33 0.00 0.00 177.00 173.07 1nvi n PRO 77 N -3.85 1.17 -2.36 5.54 -0.02 -1.26 -4.67 135.00 129.54 1nvi n PRO 77 Ca 0.06 0.41 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 1nvi n PRO 77 Cb 0.59 -1.86 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 1nvi n PRO 77 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1nvi s VAL 78 N -0.43 3.53 -0.05 -1.45 -7.23 -1.26 -4.99 120.40 108.50 1nvi s VAL 78 Ca 0.69 0.92 0.25 0.00 -1.81 0.00 0.00 61.98 62.03 1nvi s VAL 78 Cb -0.82 -3.37 0.44 0.00 0.56 0.00 0.00 36.38 33.20 1nvi s VAL 78 CO 0.54 -0.23 1.16 0.35 -0.31 0.00 0.00 175.10 176.61 1nvi n THR 79 N -1.23 0.32 -0.94 5.32 -2.24 -1.26 -5.10 114.28 109.14 1nvi n THR 79 Ca 0.10 -1.44 -0.30 0.00 -2.27 0.00 0.00 64.05 60.14 1nvi n THR 79 Cb 0.52 0.99 0.26 0.00 -2.10 0.00 0.00 70.33 70.00 1nvi n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nvi s GLY 80 N -2.37 1.55 0.00 3.38 0.00 -1.26 -5.33 107.32 103.29 1nvi s GLY 80 Ca 0.33 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1nvi s GLY 80 CO -0.14 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.50