#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j6t s PHE 5 N 0.00 0.49 0.25 1.96 -0.12 -1.26 -4.84 117.98 114.46 1j6t s PHE 5 Ca 0.00 -0.16 -0.25 0.00 -0.05 0.00 0.00 56.93 56.47 1j6t s PHE 5 Cb 0.00 -0.31 -0.09 0.00 -0.63 0.00 0.00 43.02 41.99 1j6t s PHE 5 CO 0.00 -0.02 0.85 0.15 -0.05 0.00 0.00 175.22 176.15 1j6t s LYS 6 N -0.37 4.55 -0.05 1.99 1.02 -1.26 -5.05 119.74 120.57 1j6t s LYS 6 Ca -0.00 1.21 -0.00 0.00 0.02 0.00 0.00 55.97 57.19 1j6t s LYS 6 Cb -0.03 -3.00 0.03 0.00 -0.52 0.00 0.00 37.83 34.30 1j6t s LYS 6 CO -0.00 0.41 0.00 -1.17 -0.92 0.00 0.00 175.35 173.67 1j6t s LEU 7 N -1.69 0.89 0.00 3.17 2.96 -1.26 -4.73 118.68 118.02 1j6t s LEU 7 Ca 0.44 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1j6t s LEU 7 Cb -0.20 -0.31 0.00 0.00 0.50 0.00 0.00 46.19 46.17 1j6t s LEU 7 CO 0.25 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 1j6t n GLY 8 N 4.57 2.93 0.27 7.98 0.00 -1.26 -5.03 105.19 114.64 1j6t n GLY 8 Ca -0.18 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1j6t n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j6t h ALA 9 N 1.70 1.40 0.00 4.61 0.00 -1.95 -2.65 119.26 122.37 1j6t h ALA 9 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1j6t h ALA 9 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1j6t h ALA 9 CO 0.00 0.42 0.00 -0.85 0.00 0.00 0.00 179.25 178.82 1j6t n GLU 10 N -4.29 0.18 -0.33 0.00 0.28 -1.26 -2.93 120.64 112.29 1j6t n GLU 10 Ca 0.01 0.53 0.07 0.00 -0.16 0.00 0.00 57.16 57.62 1j6t n GLU 10 Cb 0.24 -1.93 0.13 0.00 1.43 0.00 0.00 31.44 31.31 1j6t n GLU 10 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1j6t n ASN 11 N -2.28 1.82 -4.19 -1.84 6.94 -1.00 -4.98 115.26 109.73 1j6t n ASN 11 Ca 0.00 -3.08 -0.33 0.00 -0.02 0.00 0.00 54.58 51.16 1j6t n ASN 11 Cb 0.14 -0.42 -0.16 0.00 -2.36 0.00 0.00 39.78 36.99 1j6t n ASN 11 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1j6t s ILE 12 N -2.43 2.31 -0.26 1.53 1.01 -1.15 -1.02 121.20 121.19 1j6t s ILE 12 Ca 0.29 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1j6t s ILE 12 Cb 0.27 -1.96 0.07 0.00 0.01 0.00 0.00 42.46 40.85 1j6t s ILE 12 CO -0.01 0.53 -0.01 -0.36 0.00 0.00 0.00 174.94 175.09 1j6t s PHE 13 N 1.00 2.39 0.25 3.97 0.08 0.18 -4.97 117.98 120.87 1j6t s PHE 13 Ca -0.02 -1.87 0.05 0.00 0.12 0.00 0.00 56.93 55.21 1j6t s PHE 13 Cb -0.15 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 1j6t s PHE 13 CO -0.05 -0.81 0.36 -0.51 -0.10 0.00 0.00 175.22 174.12 1j6t s LEU 14 N 1.39 4.26 -1.41 -0.37 1.43 -1.26 -0.44 118.68 122.28 1j6t s LEU 14 Ca -0.01 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1j6t s LEU 14 Cb -0.19 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.22 1j6t s LEU 14 CO -0.10 -0.10 0.49 0.61 0.23 0.00 0.00 176.35 177.48 1j6t n GLY 15 N -1.42 -0.39 3.91 -3.19 0.00 -1.20 -4.89 105.19 98.02 1j6t n GLY 15 Ca -0.08 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1j6t n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j6t s ARG 16 N -5.50 2.23 -0.01 1.61 1.81 0.10 -4.95 118.95 114.23 1j6t s ARG 16 Ca 0.24 -0.05 -0.01 0.00 -1.72 0.00 0.00 55.73 54.19 1j6t s ARG 16 Cb -0.11 -2.09 0.00 0.00 -0.45 0.00 0.00 34.95 32.30 1j6t s ARG 16 CO 0.30 -1.30 0.03 0.15 -0.68 0.00 0.00 175.30 173.80 1j6t s LYS 17 N -5.35 0.06 -0.20 3.54 1.02 -1.26 -4.22 119.74 113.32 1j6t s LYS 17 Ca 0.60 -0.00 -0.12 0.00 0.02 0.00 0.00 55.97 56.46 1j6t s LYS 17 Cb -0.11 0.03 0.06 0.00 -0.52 0.00 0.00 37.83 37.29 1j6t s LYS 17 CO 0.47 -0.01 0.50 0.00 -0.92 0.00 0.00 175.35 175.39 1j6t s ALA 18 N -0.09 -1.30 -0.04 5.17 0.00 -1.26 -4.99 121.76 119.25 1j6t s ALA 18 Ca -0.01 1.75 0.16 0.00 0.00 0.00 0.00 51.96 53.85 1j6t s ALA 18 Cb -0.01 -1.04 0.25 0.00 0.00 0.00 0.00 23.12 22.32 1j6t s ALA 18 CO 0.00 -0.29 1.53 0.00 0.00 0.00 0.00 175.76 177.00 1j6t h ALA 19 N 6.79 0.75 -2.27 0.00 0.00 -1.99 -3.45 119.26 119.09 1j6t h ALA 19 Ca -0.33 -0.45 -0.25 0.00 0.00 0.00 0.00 54.91 53.88 1j6t h ALA 19 Cb 1.19 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 1j6t h ALA 19 CO 0.24 0.61 -0.70 0.95 0.00 0.00 0.00 179.25 180.35 1j6t s THR 20 N -3.15 0.81 0.34 0.00 -4.23 -1.26 -4.85 115.64 103.30 1j6t s THR 20 Ca 0.03 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 58.67 1j6t s THR 20 Cb 0.09 -1.69 0.11 0.00 1.34 0.00 0.00 72.50 72.35 1j6t s THR 20 CO 0.73 -0.82 1.83 0.07 -0.54 0.00 0.00 174.62 175.88 1j6t h LYS 21 N 2.97 0.29 -0.71 3.99 2.10 -1.90 -2.77 116.57 120.54 1j6t h LYS 21 Ca -0.36 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1j6t h LYS 21 Cb 1.17 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.44 1j6t h LYS 21 CO 0.64 0.50 0.46 0.93 -2.00 0.00 0.00 179.45 179.98 1j6t h GLU 22 N 0.27 0.95 -0.62 0.07 3.07 -1.95 0.88 114.58 117.25 1j6t h GLU 22 Ca 0.05 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 1j6t h GLU 22 Cb 0.53 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1j6t h GLU 22 CO 0.04 0.64 0.19 0.93 -1.40 0.00 0.00 179.01 179.41 1j6t h GLU 23 N 0.97 0.97 -0.52 2.33 5.08 -1.91 -0.70 114.58 120.79 1j6t h GLU 23 Ca 0.26 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1j6t h GLU 23 Cb -0.09 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1j6t h GLU 23 CO -0.05 0.86 0.10 0.00 -1.00 0.00 0.00 179.01 178.92 1j6t h ALA 24 N 1.06 0.69 -0.56 3.43 0.00 -1.18 -1.69 119.26 121.02 1j6t h ALA 24 Ca 0.20 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1j6t h ALA 24 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1j6t h ALA 24 CO -0.01 0.41 0.15 0.82 0.00 0.00 0.00 179.25 180.63 1j6t h ILE 25 N 0.74 1.24 -0.63 0.00 2.04 -0.63 -1.45 117.51 118.81 1j6t h ILE 25 Ca 0.16 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1j6t h ILE 25 Cb 0.37 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1j6t h ILE 25 CO 0.01 0.32 0.26 -0.09 0.00 0.00 0.00 178.15 178.64 1j6t h ARG 26 N 0.80 0.92 -0.04 2.37 2.43 -0.94 0.50 114.38 120.41 1j6t h ARG 26 Ca 0.18 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1j6t h ARG 26 Cb 0.32 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1j6t h ARG 26 CO -0.00 0.75 -0.01 0.35 -1.51 0.00 0.00 179.97 179.55 1j6t h PHE 27 N 0.91 0.10 -0.43 2.20 3.57 -0.94 0.36 116.94 122.70 1j6t h PHE 27 Ca 0.22 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.75 1j6t h PHE 27 Cb 0.17 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 1j6t h PHE 27 CO 0.01 0.42 0.16 0.00 -2.23 0.00 0.00 178.31 176.67 1j6t h ALA 28 N 0.66 0.52 -0.75 2.41 0.00 -0.99 -1.21 119.26 119.90 1j6t h ALA 28 Ca 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1j6t h ALA 28 Cb 0.39 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1j6t h ALA 28 CO 0.00 -0.23 0.36 0.78 0.00 0.00 0.00 179.25 180.17 1j6t h GLY 29 N 0.33 1.15 1.24 0.00 0.00 -0.78 -0.44 103.07 104.57 1j6t h GLY 29 Ca 0.20 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1j6t h GLY 29 CO -0.20 0.54 0.41 0.83 0.00 0.00 0.00 176.54 178.12 1j6t h GLU 30 N 1.05 1.00 -0.11 4.80 5.08 -0.23 -1.17 114.58 125.00 1j6t h GLU 30 Ca 0.26 -0.10 -0.19 0.00 -1.00 0.00 0.00 59.36 58.33 1j6t h GLU 30 Cb 0.11 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1j6t h GLU 30 CO -0.03 0.72 -0.72 1.96 -1.00 0.00 0.00 179.01 179.94 1j6t h GLN 31 N 1.01 0.49 -0.62 2.33 1.08 -0.68 0.13 115.11 118.85 1j6t h GLN 31 Ca 0.26 -0.39 -0.06 0.00 -1.45 0.00 0.00 58.65 57.01 1j6t h GLN 31 Cb 0.01 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1j6t h GLN 31 CO -0.04 1.02 0.16 -0.07 -0.95 0.00 0.00 178.83 178.95 1j6t h LEU 32 N 0.34 0.90 -0.19 1.46 3.38 -0.73 -1.02 115.31 119.46 1j6t h LEU 32 Ca -0.03 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1j6t h LEU 32 Cb 1.30 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1j6t h LEU 32 CO 0.13 0.87 -0.15 0.58 0.09 0.00 0.00 178.44 179.95 1j6t h VAL 33 N 0.93 1.33 -0.96 1.22 2.07 -0.98 -0.87 116.25 118.99 1j6t h VAL 33 Ca 0.20 -1.28 0.06 0.00 0.82 0.00 0.00 66.70 66.50 1j6t h VAL 33 Cb 0.31 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 1j6t h VAL 33 CO -0.00 0.39 0.62 0.50 0.02 0.00 0.00 177.57 179.10 1j6t h LYS 34 N 0.11 1.08 -0.20 1.57 3.64 -0.36 -2.31 116.57 120.11 1j6t h LYS 34 Ca 0.03 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1j6t h LYS 34 Cb 0.68 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1j6t h LYS 34 CO 0.04 0.72 0.00 0.41 -2.27 0.00 0.00 179.45 178.35 1j6t n GLY 35 N -1.38 0.01 2.08 5.01 0.00 -0.42 -4.89 105.19 105.61 1j6t n GLY 35 Ca 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 1j6t n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j6t n GLY 36 N 0.91 0.54 0.12 -0.02 0.00 -0.87 -4.93 105.19 100.94 1j6t n GLY 36 Ca 0.10 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 1j6t n GLY 36 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1j6t h TYR 37 N 0.00 0.59 -4.21 1.61 0.05 -1.37 -3.43 116.97 110.21 1j6t h TYR 37 Ca -0.04 -0.43 -0.14 0.00 0.05 0.00 0.00 58.73 58.17 1j6t h TYR 37 Cb 0.15 -0.02 -0.15 0.00 1.01 0.00 0.00 36.73 37.72 1j6t h TYR 37 CO 0.07 1.37 -0.58 0.14 -1.05 0.00 0.00 178.16 178.11 1j6t s VAL 38 N -2.64 0.14 0.59 -2.88 -7.23 -1.14 -2.19 120.40 105.05 1j6t s VAL 38 Ca -0.06 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.34 1j6t s VAL 38 Cb 0.06 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 35.25 1j6t s VAL 38 CO 0.89 -0.63 0.89 -1.61 -0.31 0.00 0.00 175.10 174.34 1j6t s GLU 39 N -3.97 2.88 0.38 4.82 2.02 -1.19 -4.29 118.70 119.36 1j6t s GLU 39 Ca 0.15 -0.05 0.15 0.00 0.02 0.00 0.00 54.97 55.24 1j6t s GLU 39 Cb 0.07 -2.28 1.00 0.00 0.10 0.00 0.00 34.13 33.02 1j6t s GLU 39 CO -0.04 -0.71 1.80 -1.35 0.02 0.00 0.00 175.26 174.98 1j6t h PRO 40 N -0.17 0.48 0.00 0.39 0.11 -1.96 -2.10 132.00 128.75 1j6t h PRO 40 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1j6t h PRO 40 Cb 1.26 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1j6t h PRO 40 CO 0.60 0.32 -0.01 0.93 -0.21 0.00 0.00 178.00 179.63 1j6t h GLU 41 N 0.50 0.00 0.00 1.05 3.07 -1.96 -2.80 114.58 114.43 1j6t h GLU 41 Ca 0.55 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.35 1j6t h GLU 41 Cb 1.24 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.14 1j6t h GLU 41 CO -0.28 0.01 -0.28 -0.92 -1.40 0.00 0.00 179.01 176.14 1j6t h TYR 42 N 0.00 0.00 -0.09 4.33 3.20 -1.73 -2.93 116.97 119.75 1j6t h TYR 42 Ca -0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1j6t h TYR 42 Cb 0.14 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 1j6t h TYR 42 CO 0.00 0.28 0.05 0.28 -1.64 0.00 0.00 178.16 177.13 1j6t h VAL 43 N 0.00 1.07 -0.28 1.81 2.07 -1.70 -0.98 116.25 118.24 1j6t h VAL 43 Ca -0.00 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1j6t h VAL 43 Cb 0.57 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1j6t h VAL 43 CO 0.04 0.06 -0.23 -0.61 0.02 0.00 0.00 177.57 176.85 1j6t h GLN 44 N 0.07 0.53 -0.31 1.57 5.75 -1.75 -2.16 115.11 118.82 1j6t h GLN 44 Ca 0.03 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 1j6t h GLN 44 Cb 0.05 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1j6t h GLN 44 CO -0.01 0.72 0.14 0.00 -2.65 0.00 0.00 178.83 177.04 1j6t h ALA 45 N 1.29 1.66 -0.28 3.38 0.00 -1.26 0.62 119.26 124.67 1j6t h ALA 45 Ca 0.07 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1j6t h ALA 45 Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1j6t h ALA 45 CO 0.05 0.27 -0.46 0.52 0.00 0.00 0.00 179.25 179.64 1j6t h MET 46 N 0.43 0.74 -0.36 0.00 2.86 -0.56 0.08 114.93 118.13 1j6t h MET 46 Ca 0.11 -0.41 -0.16 0.00 -2.06 0.00 0.00 59.70 57.17 1j6t h MET 46 Cb 0.06 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1j6t h MET 46 CO -0.01 1.04 -0.42 -0.07 1.06 0.00 0.00 176.91 178.51 1j6t h LEU 47 N 0.59 0.99 -0.57 1.22 3.38 -0.77 -1.99 115.31 118.16 1j6t h LEU 47 Ca 0.04 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1j6t h LEU 47 Cb 1.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1j6t h LEU 47 CO 0.10 1.27 0.37 0.44 0.09 0.00 0.00 178.44 180.71 1j6t h ASP 48 N 0.73 0.66 -0.77 -0.43 3.32 0.37 -2.38 116.42 117.91 1j6t h ASP 48 Ca 0.05 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1j6t h ASP 48 Cb 1.02 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 1j6t h ASP 48 CO 0.10 0.48 0.36 -0.09 -1.72 0.00 0.00 179.24 178.38 1j6t h ARG 49 N 0.77 1.13 -0.82 3.56 9.65 -0.78 -2.82 114.38 125.08 1j6t h ARG 49 Ca 0.21 -0.17 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1j6t h ARG 49 Cb -0.08 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 28.26 1j6t h ARG 49 CO -0.04 0.88 0.38 1.05 2.80 0.00 0.00 179.97 185.04 1j6t h GLU 50 N 1.12 1.19 -0.70 0.20 4.11 -0.89 -2.84 114.58 116.77 1j6t h GLU 50 Ca 0.27 -0.18 -0.04 0.00 0.07 0.00 0.00 59.36 59.48 1j6t h GLU 50 Cb 0.13 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1j6t h GLU 50 CO -0.03 0.92 0.29 -0.22 0.07 0.00 0.00 179.01 180.04 1j6t h LYS 51 N 1.17 1.02 -0.47 1.06 3.64 -1.18 -2.56 116.57 119.26 1j6t h LYS 51 Ca 0.28 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1j6t h LYS 51 Cb 0.14 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1j6t h LYS 51 CO -0.03 0.83 0.12 1.25 -2.27 0.00 0.00 179.45 179.34 1j6t h LEU 52 N 1.01 0.70 -7.00 5.20 5.85 -1.43 -3.45 115.31 116.19 1j6t h LEU 52 Ca 0.24 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1j6t h LEU 52 Cb 0.18 -0.19 -0.25 0.00 0.37 0.00 0.00 40.66 40.78 1j6t h LEU 52 CO -0.02 0.75 0.37 -0.89 -0.34 0.00 0.00 178.44 178.31 1j6t s THR 53 N -5.31 0.00 0.43 1.05 2.01 -0.96 -5.15 115.64 107.71 1j6t s THR 53 Ca -0.13 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.64 1j6t s THR 53 Cb 0.11 -1.00 -0.11 0.00 0.01 0.00 0.00 72.50 71.51 1j6t s THR 53 CO 0.78 0.00 0.82 -2.65 -0.69 0.00 0.00 174.62 172.89 1j6t n PRO 54 N 2.47 1.00 -0.25 4.92 -0.02 -1.23 -4.46 135.00 137.42 1j6t n PRO 54 Ca -0.13 0.36 0.10 0.00 -2.02 0.00 0.00 63.50 61.81 1j6t n PRO 54 Cb 0.56 -1.84 0.27 0.00 -0.02 0.00 0.00 33.50 32.47 1j6t n PRO 54 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1j6t n THR 55 N -0.73 0.66 -1.88 3.45 -2.24 -1.26 -4.91 114.28 107.37 1j6t n THR 55 Ca 0.11 -0.74 -0.41 0.00 -2.27 0.00 0.00 64.05 60.73 1j6t n THR 55 Cb 0.40 0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 1j6t n THR 55 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1j6t s TYR 56 N -1.34 2.79 -0.21 4.78 5.04 -1.26 -2.30 117.35 124.85 1j6t s TYR 56 Ca 0.39 1.05 0.06 0.00 -2.44 0.00 0.00 57.07 56.13 1j6t s TYR 56 Cb 0.21 -3.95 0.13 0.00 0.35 0.00 0.00 41.96 38.70 1j6t s TYR 56 CO 0.29 -2.96 1.09 1.28 -1.34 0.00 0.00 175.55 173.91 1j6t n LEU 57 N 1.41 2.32 0.00 6.97 4.77 0.32 -4.94 117.00 127.86 1j6t n LEU 57 Ca 0.04 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.81 1j6t n LEU 57 Cb 0.39 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1j6t n LEU 57 CO 0.62 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 1j6t n GLY 58 N -0.44 -1.01 3.12 -0.72 0.00 -1.25 -4.91 105.19 99.97 1j6t n GLY 58 Ca 0.06 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 1j6t n GLY 58 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j6t n GLU 59 N -1.20 -4.70 -1.57 1.61 4.71 -1.26 -2.56 120.64 115.67 1j6t n GLU 59 Ca 0.00 0.82 -0.15 0.00 -0.01 0.00 0.00 57.16 57.81 1j6t n GLU 59 Cb 0.00 -5.66 -0.06 0.00 -1.01 0.00 0.00 31.44 24.72 1j6t n GLU 59 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1j6t n SER 60 N -2.50 -4.83 -4.26 1.62 2.88 -1.26 -4.95 113.62 100.33 1j6t n SER 60 Ca -0.09 0.32 -0.30 0.00 -1.33 0.00 0.00 58.87 57.48 1j6t n SER 60 Cb 0.60 -3.73 -0.16 0.00 -0.75 0.00 0.00 64.21 60.17 1j6t n SER 60 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1j6t s ILE 61 N -2.60 1.91 -0.02 2.46 1.01 -1.06 -1.31 121.20 121.59 1j6t s ILE 61 Ca 0.00 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.68 1j6t s ILE 61 Cb 0.00 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 1j6t s ILE 61 CO 0.00 0.54 -0.14 0.00 0.00 0.00 0.00 174.94 175.34 1j6t s ALA 62 N -0.33 1.16 -0.53 9.38 0.00 0.07 -0.52 121.76 130.98 1j6t s ALA 62 Ca 0.02 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.47 1j6t s ALA 62 Cb -0.11 -0.32 0.21 0.00 0.00 0.00 0.00 23.12 22.89 1j6t s ALA 62 CO 0.01 0.26 0.53 1.33 0.00 0.00 0.00 175.76 177.89 1j6t n VAL 63 N 2.86 0.48 -1.69 0.00 0.24 -0.97 -0.44 118.33 118.81 1j6t n VAL 63 Ca -0.15 -4.37 -0.38 0.00 -2.04 0.00 0.00 64.34 57.40 1j6t n VAL 63 Cb 0.55 -1.97 0.06 0.00 -1.47 0.00 0.00 33.84 31.00 1j6t n VAL 63 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1j6t n PRO 64 N 1.76 1.17 -3.63 7.34 -0.04 -1.21 -4.80 135.00 135.59 1j6t n PRO 64 Ca 0.25 0.45 -0.10 0.00 -0.04 0.00 0.00 63.50 64.06 1j6t n PRO 64 Cb 0.44 -2.41 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 1j6t n PRO 64 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1j6t s HIS 65 N -1.40 -0.28 0.95 0.54 -3.43 -1.26 -2.01 115.29 108.40 1j6t s HIS 65 Ca 0.78 -0.03 -0.15 0.00 -0.80 0.00 0.00 55.06 54.85 1j6t s HIS 65 Cb -0.40 0.46 0.18 0.00 -1.43 0.00 0.00 32.58 31.38 1j6t s HIS 65 CO 0.45 -0.89 1.27 0.20 -2.00 0.00 0.00 174.74 173.77 1j6t s GLY 66 N -2.83 1.72 0.75 -1.38 0.00 -1.26 -4.19 107.32 100.14 1j6t s GLY 66 Ca 0.06 -1.05 -0.11 0.00 0.00 0.00 0.00 44.72 43.61 1j6t s GLY 66 CO -0.07 -0.34 1.12 -0.51 0.00 0.00 0.00 173.10 173.30 1j6t s THR 67 N -3.75 2.61 0.17 0.90 -4.23 -1.22 -4.88 115.64 105.24 1j6t s THR 67 Ca 0.71 0.12 0.25 0.00 -1.18 0.00 0.00 61.69 61.59 1j6t s THR 67 Cb -0.06 -3.18 0.26 0.00 1.34 0.00 0.00 72.50 70.86 1j6t s THR 67 CO 0.52 -0.23 1.87 -0.37 -0.54 0.00 0.00 174.62 175.88 1j6t h VAL 68 N -0.82 0.50 0.00 2.29 -1.51 -1.97 -2.46 116.25 112.29 1j6t h VAL 68 Ca -0.45 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.02 1j6t h VAL 68 Cb 1.30 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 32.15 1j6t h VAL 68 CO 0.64 0.19 0.00 -0.62 -1.23 0.00 0.00 177.57 176.55 1j6t n GLU 69 N -3.39 0.76 -0.06 5.19 4.71 -1.26 -2.52 120.64 124.07 1j6t n GLU 69 Ca -0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.20 1j6t n GLU 69 Cb 0.39 -1.05 0.07 0.00 -1.01 0.00 0.00 31.44 29.85 1j6t n GLU 69 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j6t n ALA 70 N -0.55 2.08 -0.23 0.62 0.00 -0.93 -4.72 120.51 116.79 1j6t n ALA 70 Ca 0.02 -1.76 -0.01 0.00 0.00 0.00 0.00 53.44 51.68 1j6t n ALA 70 Cb 0.01 -0.21 0.20 0.00 0.00 0.00 0.00 19.45 19.45 1j6t n ALA 70 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1j6t h LYS 71 N 0.00 1.03 0.00 0.00 2.10 -1.64 -1.39 116.57 116.67 1j6t h LYS 71 Ca 0.00 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1j6t h LYS 71 Cb 0.80 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1j6t h LYS 71 CO 0.00 0.73 0.00 -0.25 -2.00 0.00 0.00 179.45 177.93 1j6t n ASP 72 N -4.38 0.00 -0.97 7.07 8.00 -1.26 -2.23 116.55 122.77 1j6t n ASP 72 Ca 0.08 -0.07 0.09 0.00 0.71 0.00 0.00 54.79 55.60 1j6t n ASP 72 Cb 0.07 -0.21 0.21 0.00 -0.02 0.00 0.00 41.12 41.18 1j6t n ASP 72 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1j6t n ARG 73 N -1.21 2.53 -3.48 -1.24 5.12 -0.52 -4.90 116.66 112.96 1j6t n ARG 73 Ca 0.08 -2.23 -0.37 0.00 -1.93 0.00 0.00 57.85 53.40 1j6t n ARG 73 Cb 0.10 -1.42 -0.07 0.00 -1.16 0.00 0.00 32.46 29.91 1j6t n ARG 73 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1j6t s VAL 74 N -1.10 5.27 -0.35 1.55 1.01 -0.95 -3.15 120.40 122.68 1j6t s VAL 74 Ca 0.34 0.61 0.22 0.00 0.00 0.00 0.00 61.98 63.15 1j6t s VAL 74 Cb 0.19 -3.67 -0.21 0.00 0.00 0.00 0.00 36.38 32.69 1j6t s VAL 74 CO 0.25 0.34 0.78 0.18 0.00 0.00 0.00 175.10 176.65 1j6t n LEU 75 N 3.87 0.44 -3.61 3.92 4.77 -0.93 -4.91 117.00 120.54 1j6t n LEU 75 Ca -0.11 -0.02 -0.04 0.00 -0.03 0.00 0.00 56.01 55.82 1j6t n LEU 75 Cb 0.52 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1j6t n LEU 75 CO 0.40 0.02 1.06 -1.59 -1.33 0.00 0.00 177.39 175.95 1j6t s LYS 76 N -3.34 0.22 0.22 3.23 -2.85 -1.22 -5.06 119.74 110.94 1j6t s LYS 76 Ca -0.01 -0.08 -0.30 0.00 -1.00 0.00 0.00 55.97 54.58 1j6t s LYS 76 Cb 0.14 0.10 -0.08 0.00 -2.06 0.00 0.00 37.83 35.92 1j6t s LYS 76 CO 0.85 -0.09 1.06 0.99 0.10 0.00 0.00 175.35 178.26 1j6t s THR 77 N -2.26 3.81 0.16 3.79 2.01 -1.26 -4.63 115.64 117.25 1j6t s THR 77 Ca 0.10 1.70 -0.23 0.00 0.31 0.00 0.00 61.69 63.56 1j6t s THR 77 Cb -0.01 -4.08 0.07 0.00 0.01 0.00 0.00 72.50 68.49 1j6t s THR 77 CO -0.04 0.36 0.64 -0.83 -0.69 0.00 0.00 174.62 174.06 1j6t s GLY 78 N -0.61 -0.55 0.04 4.40 0.00 -0.56 -4.79 107.32 105.24 1j6t s GLY 78 Ca 0.46 0.46 0.01 0.00 0.00 0.00 0.00 44.72 45.64 1j6t s GLY 78 CO 0.36 0.15 -0.06 -1.34 0.00 0.00 0.00 173.10 172.21 1j6t s VAL 79 N -3.71 0.37 -0.20 1.40 -7.23 -1.26 -1.42 120.40 108.36 1j6t s VAL 79 Ca 0.02 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1j6t s VAL 79 Cb -0.01 -0.57 0.05 0.00 0.56 0.00 0.00 36.38 36.40 1j6t s VAL 79 CO -0.11 -0.48 -0.06 0.68 -0.31 0.00 0.00 175.10 174.82 1j6t s VAL 80 N -1.64 1.35 -0.34 1.32 -7.23 0.12 -4.88 120.40 109.09 1j6t s VAL 80 Ca -0.10 -0.91 -0.24 0.00 -1.81 0.00 0.00 61.98 58.91 1j6t s VAL 80 Cb -0.08 -1.55 0.01 0.00 0.56 0.00 0.00 36.38 35.32 1j6t s VAL 80 CO -0.01 0.05 0.83 0.12 -0.31 0.00 0.00 175.10 175.78 1j6t s PHE 81 N 1.51 3.14 -0.17 2.82 2.19 -0.19 -1.51 117.98 125.77 1j6t s PHE 81 Ca -0.02 0.72 0.01 0.00 0.33 0.00 0.00 56.93 57.97 1j6t s PHE 81 Cb -0.17 -3.41 0.01 0.00 -1.31 0.00 0.00 43.02 38.14 1j6t s PHE 81 CO -0.07 -0.70 -0.19 0.00 1.83 0.00 0.00 175.22 176.09 1j6t s GLN 83 N 1.11 4.07 -0.54 0.00 0.74 0.41 -1.07 119.66 124.38 1j6t s GLN 83 Ca 0.00 -0.28 0.04 0.00 0.05 0.00 0.00 55.36 55.17 1j6t s GLN 83 Cb -0.14 -3.47 0.14 0.00 1.10 0.00 0.00 33.01 30.65 1j6t s GLN 83 CO -0.08 0.13 0.31 0.71 -0.55 0.00 0.00 175.29 175.81 1j6t s TYR 84 N 0.85 2.88 0.38 1.67 1.51 0.11 -0.72 117.35 124.03 1j6t s TYR 84 Ca 0.07 -2.99 0.12 0.00 -1.01 0.00 0.00 57.07 53.26 1j6t s TYR 84 Cb -0.13 -2.47 0.91 0.00 -0.11 0.00 0.00 41.96 40.16 1j6t s TYR 84 CO 0.03 -0.71 1.89 -1.35 -1.11 0.00 0.00 175.55 174.29 1j6t h PRO 85 N 6.26 0.57 0.00 -1.71 0.11 -1.73 0.30 132.00 135.79 1j6t h PRO 85 Ca 0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1j6t h PRO 85 Cb 0.87 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1j6t h PRO 85 CO 0.63 0.37 -0.11 0.39 -0.21 0.00 0.00 178.00 179.07 1j6t n GLU 86 N -4.53 0.18 0.00 1.05 1.02 -1.26 -5.00 120.64 112.11 1j6t n GLU 86 Ca 0.16 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1j6t n GLU 86 Cb 0.50 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1j6t n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j6t n GLY 87 N 1.37 -0.25 2.75 0.62 0.00 0.09 -5.03 105.19 104.75 1j6t n GLY 87 Ca 0.06 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 44.29 1j6t n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j6t s VAL 88 N -2.99 0.27 0.06 1.61 1.01 -0.58 -4.82 120.40 114.95 1j6t s VAL 88 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1j6t s VAL 88 Cb 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 36.38 35.84 1j6t s VAL 88 CO 0.00 0.24 1.93 -0.60 0.00 0.00 0.00 175.10 176.67 1j6t s ARG 89 N 1.97 4.14 -0.00 2.72 3.52 -1.26 -1.29 118.95 128.75 1j6t s ARG 89 Ca 0.04 2.61 0.00 0.00 -0.13 0.00 0.00 55.73 58.26 1j6t s ARG 89 Cb -0.12 -4.02 -0.00 0.00 -1.56 0.00 0.00 34.95 29.24 1j6t s ARG 89 CO -0.05 -0.93 0.01 1.19 -0.81 0.00 0.00 175.30 174.71 1j6t n PHE 90 N 7.09 0.00 -2.75 5.12 3.72 0.33 -4.18 117.46 126.79 1j6t n PHE 90 Ca 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1j6t n PHE 90 Cb 0.40 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1j6t n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j6t n GLY 91 N 1.23 6.97 0.09 1.37 0.00 -1.05 -4.45 105.19 109.35 1j6t n GLY 91 Ca 0.00 -1.99 0.06 0.00 0.00 0.00 0.00 46.02 44.08 1j6t n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j6t n GLU 92 N 0.00 0.63 -3.66 1.61 1.02 -1.26 -4.91 120.64 114.06 1j6t n GLU 92 Ca 0.00 0.09 -0.28 0.00 -0.02 0.00 0.00 57.16 56.96 1j6t n GLU 92 Cb 0.00 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 29.64 1j6t n GLU 92 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1j6t s GLU 93 N -3.17 3.53 0.61 3.49 2.02 -1.26 -4.96 118.70 118.95 1j6t s GLU 93 Ca -0.03 -0.31 0.33 0.00 0.02 0.00 0.00 54.97 54.99 1j6t s GLU 93 Cb 0.10 -2.82 1.96 0.00 0.10 0.00 0.00 34.13 33.47 1j6t s GLU 93 CO 0.82 0.39 2.28 0.93 0.02 0.00 0.00 175.26 179.70 1j6t h GLU 94 N 1.99 0.00 -0.05 1.61 5.08 -2.05 0.69 114.58 121.85 1j6t h GLU 94 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1j6t h GLU 94 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1j6t h GLU 94 CO 0.68 0.01 0.00 -0.25 -1.00 0.00 0.00 179.01 178.44 1j6t n ASP 95 N -3.64 1.04 -3.37 1.42 8.00 -1.26 -4.34 116.55 114.40 1j6t n ASP 95 Ca -0.03 -1.45 -0.39 0.00 0.71 0.00 0.00 54.79 53.62 1j6t n ASP 95 Cb 0.09 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 1j6t n ASP 95 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1j6t n ASP 96 N -0.15 8.49 -4.77 -2.24 8.00 0.23 -4.89 116.55 121.22 1j6t n ASP 96 Ca 0.18 -2.75 -0.36 0.00 0.71 0.00 0.00 54.79 52.57 1j6t n ASP 96 Cb 0.26 -1.50 -0.08 0.00 -0.02 0.00 0.00 41.12 39.78 1j6t n ASP 96 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1j6t s ILE 97 N 1.15 5.19 -0.15 0.53 -1.09 -1.26 -0.51 121.20 125.05 1j6t s ILE 97 Ca 0.65 0.10 -0.04 0.00 -2.23 0.00 0.00 60.65 59.13 1j6t s ILE 97 Cb 0.18 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1j6t s ILE 97 CO -0.07 0.54 -0.03 0.00 -1.23 0.00 0.00 174.94 174.15 1j6t s ALA 98 N -0.36 3.05 -0.27 9.38 0.00 -0.41 -4.00 121.76 129.14 1j6t s ALA 98 Ca 0.11 -0.81 0.19 0.00 0.00 0.00 0.00 51.96 51.44 1j6t s ALA 98 Cb -0.12 -1.57 -0.27 0.00 0.00 0.00 0.00 23.12 21.17 1j6t s ALA 98 CO 0.01 0.25 0.53 0.54 0.00 0.00 0.00 175.76 177.09 1j6t n ARG 99 N 3.39 0.66 -3.99 0.00 1.74 -0.43 -1.53 116.66 116.51 1j6t n ARG 99 Ca -0.17 -0.12 -0.34 0.00 -0.77 0.00 0.00 57.85 56.45 1j6t n ARG 99 Cb 0.53 -1.43 -0.14 0.00 -1.02 0.00 0.00 32.46 30.39 1j6t n ARG 99 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1j6t s LEU 100 N -3.90 3.43 -0.37 0.55 1.43 -0.72 0.08 118.68 119.18 1j6t s LEU 100 Ca -0.03 -1.15 -0.03 0.00 -1.03 0.00 0.00 54.13 51.89 1j6t s LEU 100 Cb 0.13 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.80 1j6t s LEU 100 CO 0.79 -0.18 0.13 -0.69 0.23 0.00 0.00 176.35 176.62 1j6t s VAL 101 N 1.23 3.22 -0.44 -1.59 1.01 -0.23 -0.75 120.40 122.85 1j6t s VAL 101 Ca -0.04 -1.76 -0.09 0.00 0.00 0.00 0.00 61.98 60.09 1j6t s VAL 101 Cb -0.18 -3.07 0.09 0.00 0.00 0.00 0.00 36.38 33.22 1j6t s VAL 101 CO -0.04 -0.46 0.29 -0.63 0.00 0.00 0.00 175.10 174.26 1j6t s ILE 102 N 1.20 4.17 0.07 2.22 1.01 0.42 -1.31 121.20 128.97 1j6t s ILE 102 Ca 0.03 -1.57 -0.30 0.00 0.00 0.00 0.00 60.65 58.81 1j6t s ILE 102 Cb -0.21 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 1j6t s ILE 102 CO -0.03 -0.61 1.06 -0.83 0.00 0.00 0.00 174.94 174.53 1j6t s GLY 103 N 2.30 2.78 0.08 6.18 0.00 -0.57 -3.33 107.32 114.76 1j6t s GLY 103 Ca 0.04 0.68 0.03 0.00 0.00 0.00 0.00 44.72 45.48 1j6t s GLY 103 CO 0.01 1.73 -0.10 -0.26 0.00 0.00 0.00 173.10 174.48 1j6t s ILE 104 N 0.60 0.86 -0.02 0.90 -4.36 -0.85 -0.70 121.20 117.63 1j6t s ILE 104 Ca 0.52 -1.47 0.01 0.00 -0.26 0.00 0.00 60.65 59.45 1j6t s ILE 104 Cb -0.25 -1.16 0.02 0.00 1.25 0.00 0.00 42.46 42.31 1j6t s ILE 104 CO 0.30 -0.48 -0.02 0.00 0.24 0.00 0.00 174.94 174.98 1j6t s ALA 105 N -2.07 0.33 -0.09 2.27 0.00 -0.51 -4.38 121.76 117.30 1j6t s ALA 105 Ca 0.01 0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.91 1j6t s ALA 105 Cb -0.05 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.86 1j6t s ALA 105 CO 0.00 -0.01 0.27 0.00 0.00 0.00 0.00 175.76 176.02 1j6t s ALA 106 N 0.59 -0.67 0.67 0.00 0.00 -1.26 -1.50 121.76 119.59 1j6t s ALA 106 Ca -0.06 0.71 -0.14 0.00 0.00 0.00 0.00 51.96 52.47 1j6t s ALA 106 Cb -0.09 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1j6t s ALA 106 CO -0.01 -0.14 1.10 1.03 0.00 0.00 0.00 175.76 177.74 1j6t s ARG 107 N -0.00 2.77 -1.78 0.00 0.52 -1.26 -3.10 118.95 116.11 1j6t s ARG 107 Ca -0.01 1.29 0.00 0.00 -0.52 0.00 0.00 55.73 56.49 1j6t s ARG 107 Cb -0.02 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.49 1j6t s ARG 107 CO 0.01 -1.26 0.00 0.09 0.02 0.00 0.00 175.30 174.16 1j6t n ASN 108 N -2.63 -5.19 -3.56 0.23 3.02 -1.26 -1.60 115.26 104.27 1j6t n ASN 108 Ca 0.10 0.23 -0.26 0.00 -0.03 0.00 0.00 54.58 54.62 1j6t n ASN 108 Cb 0.52 -4.47 0.02 0.00 -0.61 0.00 0.00 39.78 35.24 1j6t n ASN 108 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1j6t n ASN 109 N -1.58 -4.73 -1.20 6.41 5.15 -1.18 -4.82 115.26 113.32 1j6t n ASN 109 Ca -0.21 -0.55 -0.04 0.00 -0.60 0.00 0.00 54.58 53.18 1j6t n ASN 109 Cb 0.64 -3.82 0.04 0.00 -0.53 0.00 0.00 39.78 36.11 1j6t n ASN 109 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1j6t n GLU 110 N -4.25 1.31 -0.33 1.20 1.02 -0.63 -4.49 120.64 114.48 1j6t n GLU 110 Ca -0.00 -0.61 0.17 0.00 -0.02 0.00 0.00 57.16 56.69 1j6t n GLU 110 Cb 0.55 -1.29 0.40 0.00 -0.02 0.00 0.00 31.44 31.09 1j6t n GLU 110 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1j6t h HIS 111 N 0.27 0.88 0.00 -0.32 3.86 -1.86 0.32 115.15 118.31 1j6t h HIS 111 Ca 0.12 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1j6t h HIS 111 Cb 1.32 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 29.52 1j6t h HIS 111 CO 0.31 0.16 -0.14 0.97 0.86 0.00 0.00 177.93 180.09 1j6t h ILE 112 N 0.60 1.00 -0.35 2.45 2.10 -1.99 0.30 117.51 121.62 1j6t h ILE 112 Ca 0.57 -0.51 -0.15 0.00 1.08 0.00 0.00 64.86 65.86 1j6t h ILE 112 Cb 1.12 1.28 -0.01 0.00 -1.09 0.00 0.00 36.82 38.13 1j6t h ILE 112 CO -0.34 0.14 -0.35 1.56 -1.08 0.00 0.00 178.15 178.08 1j6t h GLN 113 N 0.00 0.86 -0.26 2.19 1.08 -1.29 0.96 115.11 118.64 1j6t h GLN 113 Ca -0.00 -0.45 -0.10 0.00 -1.45 0.00 0.00 58.65 56.65 1j6t h GLN 113 Cb 0.27 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1j6t h GLN 113 CO 0.02 1.10 -0.22 0.28 -0.95 0.00 0.00 178.83 179.06 1j6t h VAL 114 N 0.65 1.31 -0.66 -0.54 2.07 -1.27 -1.82 116.25 115.99 1j6t h VAL 114 Ca 0.06 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 1j6t h VAL 114 Cb 0.94 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1j6t h VAL 114 CO 0.09 0.43 0.33 0.40 0.02 0.00 0.00 177.57 178.84 1j6t h ILE 115 N 0.34 1.22 -0.65 4.57 2.04 -0.89 -1.50 117.51 122.63 1j6t h ILE 115 Ca 0.05 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1j6t h ILE 115 Cb 0.77 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1j6t h ILE 115 CO 0.06 0.25 0.31 0.74 0.00 0.00 0.00 178.15 179.51 1j6t h THR 116 N 0.91 1.22 -0.32 -0.27 2.02 -0.71 0.52 112.91 116.29 1j6t h THR 116 Ca 0.23 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1j6t h THR 116 Cb 0.09 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1j6t h THR 116 CO -0.03 0.26 0.11 -1.28 0.37 0.00 0.00 175.52 174.95 1j6t h SER 117 N 0.90 0.45 -0.13 4.18 0.87 -1.03 -1.25 113.55 117.54 1j6t h SER 117 Ca 0.22 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1j6t h SER 117 Cb 0.12 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1j6t h SER 117 CO -0.03 0.52 0.04 -0.07 -0.53 0.00 0.00 176.83 176.76 1j6t h LEU 118 N 0.36 0.19 -1.50 2.23 3.38 -0.95 -2.98 115.31 116.05 1j6t h LEU 118 Ca 0.10 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1j6t h LEU 118 Cb 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1j6t h LEU 118 CO -0.01 0.35 -0.26 0.71 0.09 0.00 0.00 178.44 179.33 1j6t h THR 119 N 0.03 0.99 -0.30 0.22 1.35 -0.84 -1.83 112.91 112.51 1j6t h THR 119 Ca 0.04 -0.94 -0.11 0.00 -0.55 0.00 0.00 66.41 64.85 1j6t h THR 119 Cb 0.22 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1j6t h THR 119 CO -0.00 0.25 -0.26 0.78 -0.25 0.00 0.00 175.52 176.04 1j6t h ASN 120 N 0.00 0.61 1.55 5.36 2.35 -1.12 -2.06 115.58 122.27 1j6t h ASN 120 Ca -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1j6t h ASN 120 Cb 0.52 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1j6t h ASN 120 CO 0.03 0.86 -0.01 0.00 -1.65 0.00 0.00 177.43 176.66 1j6t h ALA 121 N 1.19 0.99 -0.64 -0.83 0.00 -1.26 -3.22 119.26 115.50 1j6t h ALA 121 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.70 1j6t h ALA 121 Cb 0.73 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.35 1j6t h ALA 121 CO 0.06 0.00 0.24 1.28 0.00 0.00 0.00 179.25 180.83 1j6t n LEU 122 N -2.39 5.37 0.07 0.00 4.77 -0.75 -4.61 117.00 119.47 1j6t n LEU 122 Ca 0.05 -3.55 0.11 0.00 -0.03 0.00 0.00 56.01 52.59 1j6t n LEU 122 Cb 0.45 -0.72 0.44 0.00 -2.33 0.00 0.00 43.42 41.25 1j6t n LEU 122 CO 0.31 1.05 0.83 -0.67 -1.33 0.00 0.00 177.39 177.58 1j6t n ASP 123 N -0.89 0.41 -4.47 -1.43 2.03 -0.95 -4.69 116.55 106.56 1j6t n ASP 123 Ca 0.43 0.58 -0.33 0.00 0.52 0.00 0.00 54.79 55.99 1j6t n ASP 123 Cb 1.31 -0.68 -0.13 0.00 -0.72 0.00 0.00 41.12 40.91 1j6t n ASP 123 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1j6t s ASP 124 N -3.77 4.56 0.41 1.67 1.01 -1.26 -5.01 116.67 114.27 1j6t s ASP 124 Ca 0.07 -0.17 0.10 0.00 0.71 0.00 0.00 52.55 53.26 1j6t s ASP 124 Cb 0.11 -1.65 0.90 0.00 1.01 0.00 0.00 42.92 43.29 1j6t s ASP 124 CO 0.40 0.20 2.00 1.05 0.21 0.00 0.00 175.17 179.02 1j6t h GLU 125 N 6.49 0.54 -0.26 8.23 4.11 -2.00 -1.80 114.58 129.89 1j6t h GLU 125 Ca -0.32 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.01 1j6t h GLU 125 Cb 1.19 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1j6t h GLU 125 CO 0.59 0.35 -0.15 0.66 0.07 0.00 0.00 179.01 180.54 1j6t h SER 126 N 0.55 0.43 -0.40 3.06 4.64 -1.97 -2.33 113.55 117.54 1j6t h SER 126 Ca 0.25 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1j6t h SER 126 Cb 0.29 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1j6t h SER 126 CO -0.07 0.61 0.04 0.58 -0.87 0.00 0.00 176.83 177.11 1j6t h VAL 127 N 0.41 1.25 -0.29 0.95 2.07 -1.71 -2.06 116.25 116.87 1j6t h VAL 127 Ca 0.07 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1j6t h VAL 127 Cb 0.51 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1j6t h VAL 127 CO 0.03 0.32 0.08 0.40 0.02 0.00 0.00 177.57 178.42 1j6t h ILE 128 N 0.51 1.21 -0.42 4.57 2.04 -1.47 -1.02 117.51 122.94 1j6t h ILE 128 Ca 0.12 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.34 1j6t h ILE 128 Cb 0.42 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1j6t h ILE 128 CO 0.01 0.23 0.18 -0.33 0.00 0.00 0.00 178.15 178.24 1j6t h GLU 129 N 0.30 0.36 -0.50 2.37 4.39 -1.38 0.10 114.58 120.23 1j6t h GLU 129 Ca 0.09 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1j6t h GLU 129 Cb 0.27 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1j6t h GLU 129 CO -0.00 0.24 0.18 0.00 -1.16 0.00 0.00 179.01 178.27 1j6t h ARG 130 N 0.37 0.75 -0.29 2.33 2.47 -1.21 -2.89 114.38 115.91 1j6t h ARG 130 Ca 0.19 -0.15 -0.09 0.00 -1.26 0.00 0.00 59.98 58.67 1j6t h ARG 130 Cb 0.13 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1j6t h ARG 130 CO -0.16 0.68 -0.21 -0.07 0.56 0.00 0.00 179.97 180.77 1j6t h LEU 131 N 0.66 0.53 -1.45 3.04 3.38 -0.73 -1.91 115.31 118.84 1j6t h LEU 131 Ca 0.16 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1j6t h LEU 131 Cb 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1j6t h LEU 131 CO -0.01 0.75 -0.26 0.00 0.09 0.00 0.00 178.44 179.00 1j6t h ALA 132 N 1.30 1.28 0.00 1.53 0.00 -0.78 -3.33 119.26 119.27 1j6t h ALA 132 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1j6t h ALA 132 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1j6t h ALA 132 CO 0.04 0.33 0.00 0.72 0.00 0.00 0.00 179.25 180.34 1j6t n HIS 133 N -3.82 0.00 -2.18 0.00 8.25 -1.17 -4.06 115.22 112.24 1j6t n HIS 133 Ca -0.01 -0.06 -0.37 0.00 -0.26 0.00 0.00 57.72 57.01 1j6t n HIS 133 Cb 0.36 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.46 1j6t n HIS 133 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1j6t s THR 134 N -0.11 2.94 -1.40 1.59 -1.32 -0.72 -4.91 115.64 111.70 1j6t s THR 134 Ca 0.00 0.72 0.16 0.00 -1.21 0.00 0.00 61.69 61.36 1j6t s THR 134 Cb 0.00 -3.37 0.46 0.00 -1.51 0.00 0.00 72.50 68.07 1j6t s THR 134 CO 0.00 0.01 1.38 0.35 -2.21 0.00 0.00 174.62 174.15 1j6t n THR 135 N -0.46 0.99 -3.74 5.08 -2.24 -1.26 -4.83 114.28 107.83 1j6t n THR 135 Ca 0.07 -1.00 -0.37 0.00 -2.27 0.00 0.00 64.05 60.48 1j6t n THR 135 Cb 0.47 0.51 -0.12 0.00 -2.10 0.00 0.00 70.33 69.08 1j6t n THR 135 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1j6t s SER 136 N -1.00 5.19 0.16 3.42 0.15 -1.26 -4.97 113.70 115.39 1j6t s SER 136 Ca 0.35 -0.54 -0.11 0.00 0.70 0.00 0.00 55.95 56.35 1j6t s SER 136 Cb 0.18 -1.91 0.04 0.00 -1.71 0.00 0.00 66.02 62.62 1j6t s SER 136 CO 0.24 -0.15 1.64 0.58 1.20 0.00 0.00 173.24 176.74 1j6t h VAL 137 N 5.74 1.26 -1.01 4.45 2.07 -1.99 -2.72 116.25 124.04 1j6t h VAL 137 Ca -0.34 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.24 1j6t h VAL 137 Cb 1.14 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 1j6t h VAL 137 CO 0.60 0.37 0.65 0.44 0.02 0.00 0.00 177.57 179.65 1j6t h ASP 138 N 0.81 1.03 -0.56 0.57 3.32 -1.99 -0.89 116.42 118.70 1j6t h ASP 138 Ca 0.16 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1j6t h ASP 138 Cb 0.46 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1j6t h ASP 138 CO 0.02 0.64 0.20 -0.08 -1.72 0.00 0.00 179.24 178.30 1j6t h GLU 139 N 1.15 0.86 -0.02 3.56 4.81 -1.91 0.45 114.58 123.48 1j6t h GLU 139 Ca 0.44 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 1j6t h GLU 139 Cb 0.22 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1j6t h GLU 139 CO -0.19 0.76 -0.09 0.28 -0.73 0.00 0.00 179.01 179.04 1j6t h VAL 140 N 0.78 0.75 -0.47 0.32 2.07 -0.98 -0.70 116.25 118.03 1j6t h VAL 140 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 1j6t h VAL 140 Cb 0.25 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1j6t h VAL 140 CO -0.01 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.76 1j6t h LEU 141 N -0.15 0.36 -0.26 2.57 3.38 -0.81 -2.09 115.31 118.31 1j6t h LEU 141 Ca 0.04 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1j6t h LEU 141 Cb 0.21 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1j6t h LEU 141 CO -0.11 0.26 0.13 -0.33 0.09 0.00 0.00 178.44 178.47 1j6t h GLU 142 N 0.49 0.26 0.00 1.13 5.08 -0.42 -0.54 114.58 120.58 1j6t h GLU 142 Ca 0.20 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1j6t h GLU 142 Cb 0.10 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1j6t h GLU 142 CO -0.13 0.17 -0.14 -0.07 -1.00 0.00 0.00 179.01 177.84 1j6t h LEU 143 N 0.27 0.00 -2.77 1.33 3.38 -0.81 -3.02 115.31 113.69 1j6t h LEU 143 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1j6t h LEU 143 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1j6t h LEU 143 CO -0.07 0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.78 1j6t n LEU 144 N -3.43 2.92 0.16 1.67 4.77 -0.82 -4.59 117.00 117.68 1j6t n LEU 144 Ca -0.01 -1.93 0.04 0.00 -0.03 0.00 0.00 56.01 54.09 1j6t n LEU 144 Cb 0.32 -0.23 0.15 0.00 -2.33 0.00 0.00 43.42 41.33 1j6t n LEU 144 CO 0.30 0.72 0.56 0.00 -1.33 0.00 0.00 177.39 177.64 1j6t h ALA 145 N 2.19 0.79 -0.00 -1.18 0.00 -0.96 -3.18 119.26 116.92 1j6t h ALA 145 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1j6t h ALA 145 Cb 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1j6t h ALA 145 CO 0.00 0.56 -0.08 0.41 0.00 0.00 0.00 179.25 180.14 1j6t n GLY 146 N 0.84 -1.38 0.00 0.00 0.00 -1.26 -5.12 105.19 98.28 1j6t n GLY 146 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1j6t n GLY 146 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36