#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jb0 n VAL 2 N 0.00 0.00 -1.67 5.18 0.31 -1.26 -1.56 118.33 119.32 1jb0 n VAL 2 Ca 0.00 -0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1jb0 n VAL 2 Cb 0.00 -1.15 -0.07 0.00 -0.91 0.00 0.00 33.84 31.72 1jb0 n VAL 2 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jb0 n ALA 3 N 2.93 -0.34 -0.85 3.52 0.00 -1.26 -0.73 120.51 123.79 1jb0 n ALA 3 Ca 0.18 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1jb0 n ALA 3 Cb 0.23 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1jb0 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jb0 n GLY 4 N -0.44 0.56 3.85 0.00 0.00 -0.60 -5.04 105.19 103.52 1jb0 n GLY 4 Ca -0.19 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1jb0 n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jb0 s LEU 5 N 0.00 2.28 -0.00 0.99 1.43 0.09 -4.64 118.68 118.83 1jb0 s LEU 5 Ca 0.00 0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 53.88 1jb0 s LEU 5 Cb 0.00 -3.17 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 1jb0 s LEU 5 CO 0.00 -2.29 0.05 0.68 0.23 0.00 0.00 176.35 175.02 1jb0 s VAL 6 N -3.48 0.05 0.13 -1.59 -7.23 -0.36 0.98 120.40 108.91 1jb0 s VAL 6 Ca 0.64 -0.45 -0.34 0.00 -1.81 0.00 0.00 61.98 60.02 1jb0 s VAL 6 Cb -0.12 -0.22 -0.14 0.00 0.56 0.00 0.00 36.38 36.46 1jb0 s VAL 6 CO 0.51 -0.25 1.61 -2.65 -0.31 0.00 0.00 175.10 174.02 1jb0 n PRO 7 N 2.23 2.15 -0.27 4.82 -0.02 -1.26 0.69 135.00 143.33 1jb0 n PRO 7 Ca -0.18 0.78 0.06 0.00 -2.02 0.00 0.00 63.50 62.14 1jb0 n PRO 7 Cb 0.57 -2.56 0.17 0.00 -0.02 0.00 0.00 33.50 31.67 1jb0 n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jb0 h LYS 9 N 0.09 0.26 -0.31 0.00 3.64 -1.71 0.24 116.57 118.77 1jb0 h LYS 9 Ca 0.44 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1jb0 h LYS 9 Cb 0.78 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1jb0 h LYS 9 CO -0.72 0.17 0.00 -0.25 -2.27 0.00 0.00 179.45 176.38 1jb0 n ASP 10 N -4.43 2.53 -4.59 4.20 9.92 0.17 -4.91 116.55 119.44 1jb0 n ASP 10 Ca 0.18 -1.88 -0.40 0.00 -0.53 0.00 0.00 54.79 52.16 1jb0 n ASP 10 Cb 0.73 -0.20 -0.08 0.00 -0.64 0.00 0.00 41.12 40.93 1jb0 n ASP 10 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1jb0 s SER 11 N -1.42 6.34 0.14 -2.24 0.15 0.86 -4.92 113.70 112.60 1jb0 s SER 11 Ca 0.35 0.21 -0.20 0.00 0.70 0.00 0.00 55.95 57.01 1jb0 s SER 11 Cb 0.19 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 1jb0 s SER 11 CO 0.27 -0.35 1.69 -0.65 1.20 0.00 0.00 173.24 175.40 1jb0 h PRO 12 N 8.26 -0.04 -0.65 5.44 0.11 -1.91 0.11 132.00 143.31 1jb0 h PRO 12 Ca -0.29 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.85 1jb0 h PRO 12 Cb 1.14 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1jb0 h PRO 12 CO 0.72 -0.03 0.40 0.00 -0.21 0.00 0.00 178.00 178.89 1jb0 h ALA 13 N 1.17 0.85 -0.32 -0.75 0.00 -1.91 0.79 119.26 119.10 1jb0 h ALA 13 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jb0 h ALA 13 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1jb0 h ALA 13 CO -0.26 0.16 0.18 0.35 0.00 0.00 0.00 179.25 179.68 1jb0 h PHE 14 N 0.79 0.43 -0.44 0.00 3.57 -1.54 -1.74 116.94 118.00 1jb0 h PHE 14 Ca 0.26 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.78 1jb0 h PHE 14 Cb 0.03 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1jb0 h PHE 14 CO -0.05 0.32 0.25 1.96 -2.23 0.00 0.00 178.31 178.56 1jb0 h GLN 15 N 0.40 0.48 -0.41 1.11 1.08 -0.33 -0.17 115.11 117.27 1jb0 h GLN 15 Ca 0.11 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1jb0 h GLN 15 Cb 0.03 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1jb0 h GLN 15 CO -0.02 0.32 0.27 -0.22 -0.95 0.00 0.00 178.83 178.23 1jb0 h LYS 16 N 0.50 0.50 -0.32 1.46 3.64 -0.50 -1.00 116.57 120.84 1jb0 h LYS 16 Ca 0.18 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.39 1jb0 h LYS 16 Cb 0.04 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1jb0 h LYS 16 CO -0.10 0.33 -0.35 0.00 -2.27 0.00 0.00 179.45 177.07 1jb0 h ARG 17 N 0.52 0.80 -0.99 1.90 3.08 -0.41 -3.12 114.38 116.15 1jb0 h ARG 17 Ca 0.15 -0.43 0.21 0.00 0.07 0.00 0.00 59.98 59.98 1jb0 h ARG 17 Cb -0.01 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 29.96 1jb0 h ARG 17 CO -0.04 1.06 0.62 0.00 -1.07 0.00 0.00 179.97 180.55 1jb0 h ALA 18 N 0.72 1.88 -1.00 0.04 0.00 0.29 -0.59 119.26 120.60 1jb0 h ALA 18 Ca 0.05 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1jb0 h ALA 18 Cb 0.93 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1jb0 h ALA 18 CO 0.08 -0.26 0.65 0.00 0.00 0.00 0.00 179.25 179.73 1jb0 h ALA 19 N 1.64 1.41 -0.54 0.00 0.00 -1.39 -2.60 119.26 117.78 1jb0 h ALA 19 Ca 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1jb0 h ALA 19 Cb 1.09 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1jb0 h ALA 19 CO -0.34 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1jb0 n ALA 20 N -2.37 3.30 -1.25 0.00 0.00 -0.28 -5.03 120.51 114.87 1jb0 n ALA 20 Ca 0.16 -1.81 -0.43 0.00 0.00 0.00 0.00 53.44 51.35 1jb0 n ALA 20 Cb 0.19 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 1jb0 n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jb0 n ALA 21 N 0.63 -2.68 -2.88 0.00 0.00 -0.88 -4.93 120.51 109.78 1jb0 n ALA 21 Ca 0.25 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.72 1jb0 n ALA 21 Cb 0.97 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 1jb0 n ALA 21 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jb0 s VAL 22 N -0.89 5.48 -0.21 0.00 1.01 -1.26 -4.78 120.40 119.75 1jb0 s VAL 22 Ca 0.57 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 1jb0 s VAL 22 Cb -0.83 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1jb0 s VAL 22 CO 0.50 0.60 1.13 0.20 0.00 0.00 0.00 175.10 177.53 1jb0 s ASN 23 N -1.09 7.02 0.08 3.32 0.01 -1.26 -3.61 114.94 119.42 1jb0 s ASN 23 Ca 0.16 1.47 -0.14 0.00 -0.71 0.00 0.00 52.86 53.63 1jb0 s ASN 23 Cb -0.12 -2.54 -0.17 0.00 0.41 0.00 0.00 41.25 38.83 1jb0 s ASN 23 CO 0.05 -0.73 1.27 0.74 -1.51 0.00 0.00 177.10 176.91 1jb0 h THR 24 N 5.50 1.30 -3.89 1.60 2.02 -1.86 -3.47 112.91 114.11 1jb0 h THR 24 Ca -0.22 -1.96 -0.08 0.00 0.77 0.00 0.00 66.41 64.92 1jb0 h THR 24 Cb 1.08 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 69.57 1jb0 h THR 24 CO 0.98 0.61 -0.06 0.35 0.37 0.00 0.00 175.52 177.78 1jb0 n THR 25 N -4.02 0.00 0.01 3.16 -2.24 -1.26 -5.03 114.28 104.90 1jb0 n THR 25 Ca -0.08 -0.29 0.06 0.00 -2.27 0.00 0.00 64.05 61.47 1jb0 n THR 25 Cb 0.72 0.07 0.47 0.00 -2.10 0.00 0.00 70.33 69.49 1jb0 n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jb0 h ALA 26 N 1.04 1.82 -2.49 6.98 0.00 -2.05 -3.42 119.26 121.13 1jb0 h ALA 26 Ca -0.05 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.31 1jb0 h ALA 26 Cb 0.15 -0.13 0.04 0.00 0.00 0.00 0.00 17.79 17.86 1jb0 h ALA 26 CO 0.08 0.14 1.07 -3.47 0.00 0.00 0.00 179.25 177.07 1jb0 n ASP 27 N -4.48 3.96 0.00 0.00 2.03 -1.26 -4.86 116.55 111.94 1jb0 n ASP 27 Ca 0.04 1.01 0.06 0.00 0.52 0.00 0.00 54.79 56.42 1jb0 n ASP 27 Cb 0.14 -1.54 0.36 0.00 -0.72 0.00 0.00 41.12 39.36 1jb0 n ASP 27 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1jb0 n PRO 28 N 5.21 0.58 -0.02 -0.67 -0.02 -1.26 -2.80 135.00 136.02 1jb0 n PRO 28 Ca 0.18 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.67 1jb0 n PRO 28 Cb 0.36 -1.32 0.02 0.00 -0.02 0.00 0.00 33.50 32.54 1jb0 n PRO 28 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jb0 n ALA 29 N -0.82 2.17 -0.14 3.55 0.00 -1.26 -4.74 120.51 119.26 1jb0 n ALA 29 Ca 0.09 -0.88 -0.04 0.00 0.00 0.00 0.00 53.44 52.62 1jb0 n ALA 29 Cb 0.04 -0.08 0.04 0.00 0.00 0.00 0.00 19.45 19.45 1jb0 n ALA 29 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1jb0 h SER 30 N 0.39 -0.30 0.16 0.00 0.02 -1.86 0.12 113.55 112.08 1jb0 h SER 30 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1jb0 h SER 30 Cb 0.41 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1jb0 h SER 30 CO 0.00 -0.10 -0.36 1.23 -1.14 0.00 0.00 176.83 176.45 1jb0 h GLY 31 N 0.06 -1.16 0.76 -3.77 0.00 -1.85 0.22 103.07 97.33 1jb0 h GLY 31 Ca 0.22 0.58 0.04 0.00 0.00 0.00 0.00 47.33 48.17 1jb0 h GLY 31 CO -0.42 -0.33 0.30 1.46 0.00 0.00 0.00 176.54 177.55 1jb0 h GLN 32 N -0.58 0.57 -0.23 4.80 1.08 -1.83 -0.85 115.11 118.07 1jb0 h GLN 32 Ca -0.02 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1jb0 h GLN 32 Cb 0.55 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 1jb0 h GLN 32 CO -0.15 0.38 0.07 0.87 -0.95 0.00 0.00 178.83 179.04 1jb0 h LYS 33 N 0.58 0.17 0.10 1.46 1.57 -0.57 0.55 116.57 120.44 1jb0 h LYS 33 Ca 0.24 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1jb0 h LYS 33 Cb 0.11 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1jb0 h LYS 33 CO -0.14 0.11 -0.21 -0.09 -0.57 0.00 0.00 179.45 178.55 1jb0 h ARG 34 N 0.18 -0.38 -0.29 3.15 2.43 -0.04 -0.43 114.38 119.00 1jb0 h ARG 34 Ca 0.10 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1jb0 h ARG 34 Cb 0.07 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1jb0 h ARG 34 CO -0.11 -0.25 0.12 0.74 -1.51 0.00 0.00 179.97 178.96 1jb0 h PHE 35 N -0.39 0.40 -0.25 2.20 -1.00 -0.80 -0.11 116.94 117.00 1jb0 h PHE 35 Ca 0.03 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 1jb0 h PHE 35 Cb 0.42 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 1jb0 h PHE 35 CO -0.21 0.31 0.14 0.93 -1.61 0.00 0.00 178.31 177.87 1jb0 h GLU 36 N 0.41 0.34 -0.33 1.51 5.08 0.93 -2.44 114.58 120.07 1jb0 h GLU 36 Ca 0.10 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1jb0 h GLU 36 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1jb0 h GLU 36 CO -0.01 0.31 0.00 -0.09 -1.00 0.00 0.00 179.01 178.22 1jb0 h ARG 37 N 0.29 0.58 0.00 2.33 2.43 -0.16 -2.88 114.38 116.97 1jb0 h ARG 37 Ca 0.09 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1jb0 h ARG 37 Cb 0.06 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1jb0 h ARG 37 CO -0.01 0.71 0.00 0.66 -1.51 0.00 0.00 179.97 179.81 1jb0 n TYR 38 N -4.53 0.09 0.27 2.20 4.01 -0.14 -2.66 117.16 116.40 1jb0 n TYR 38 Ca -0.02 0.04 0.11 0.00 -0.16 0.00 0.00 57.90 57.87 1jb0 n TYR 38 Cb 0.27 -0.56 0.75 0.00 -0.31 0.00 0.00 39.34 39.49 1jb0 n TYR 38 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1jb0 h SER 39 N 0.00 0.00 0.90 7.72 0.02 -1.21 -1.17 113.55 119.81 1jb0 h SER 39 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jb0 h SER 39 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1jb0 h SER 39 CO 0.00 0.05 -0.00 0.00 -1.14 0.00 0.00 176.83 175.74 1jb0 n GLN 40 N -4.06 0.10 -2.18 3.45 10.64 -1.09 -2.36 117.38 121.88 1jb0 n GLN 40 Ca -0.03 -0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.88 1jb0 n GLN 40 Cb 0.13 -1.50 0.08 0.00 -0.86 0.00 0.00 30.24 28.09 1jb0 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1jb0 s ALA 41 N -2.90 3.10 0.17 2.61 0.00 -0.44 -4.88 121.76 119.41 1jb0 s ALA 41 Ca 0.17 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 1jb0 s ALA 41 Cb 0.19 -2.60 -0.06 0.00 0.00 0.00 0.00 23.12 20.65 1jb0 s ALA 41 CO 0.51 -1.41 0.46 -0.51 0.00 0.00 0.00 175.76 174.82 1jb0 s LEU 42 N -5.30 4.24 0.16 0.00 1.43 -1.26 -0.46 118.68 117.48 1jb0 s LEU 42 Ca 0.61 0.78 0.07 0.00 -1.03 0.00 0.00 54.13 54.56 1jb0 s LEU 42 Cb -0.10 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 1jb0 s LEU 42 CO 0.45 0.02 -0.15 0.00 0.23 0.00 0.00 176.35 176.91 1jb0 s GLY 44 N -2.82 2.02 0.64 0.00 0.00 -1.04 -1.22 107.32 104.88 1jb0 s GLY 44 Ca 0.15 -1.75 0.29 0.00 0.00 0.00 0.00 44.72 43.41 1jb0 s GLY 44 CO 0.05 -1.80 1.91 0.83 0.00 0.00 0.00 173.10 174.10 1jb0 h GLU 45 N 0.44 0.00 0.00 2.90 4.39 -1.93 0.36 114.58 120.75 1jb0 h GLU 45 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1jb0 h GLU 45 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1jb0 h GLU 45 CO 0.48 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 177.93 1jb0 n ASP 46 N -3.22 0.72 -0.59 1.42 5.68 -1.26 -4.84 116.55 114.45 1jb0 n ASP 46 Ca 0.02 0.64 -0.06 0.00 -0.50 0.00 0.00 54.79 54.89 1jb0 n ASP 46 Cb 0.48 -0.81 -0.01 0.00 -1.14 0.00 0.00 41.12 39.64 1jb0 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jb0 n GLY 47 N 0.39 0.29 3.35 6.12 0.00 0.13 -4.68 105.19 110.79 1jb0 n GLY 47 Ca 0.03 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1jb0 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jb0 s LEU 48 N -1.53 2.22 0.24 0.99 1.43 -1.26 -3.94 118.68 116.83 1jb0 s LEU 48 Ca 0.00 -0.65 -0.31 0.00 -1.03 0.00 0.00 54.13 52.15 1jb0 s LEU 48 Cb 0.00 -1.24 -0.11 0.00 0.03 0.00 0.00 46.19 44.87 1jb0 s LEU 48 CO 0.00 0.22 1.60 -2.84 0.23 0.00 0.00 176.35 175.56 1jb0 s PRO 49 N -1.54 4.16 -0.21 1.29 0.02 -1.26 -2.51 135.00 134.96 1jb0 s PRO 49 Ca 0.12 2.50 0.01 0.00 0.02 0.00 0.00 61.00 63.66 1jb0 s PRO 49 Cb -0.10 -3.08 0.04 0.00 0.02 0.00 0.00 34.50 31.38 1jb0 s PRO 49 CO 0.03 -0.63 -0.13 -1.01 -0.33 0.00 0.00 177.00 174.93 1jb0 s HIS 50 N 0.56 2.74 0.48 6.54 3.76 0.06 -4.92 115.29 124.51 1jb0 s HIS 50 Ca 0.67 -1.80 -0.23 0.00 -0.15 0.00 0.00 55.06 53.56 1jb0 s HIS 50 Cb -0.47 -1.80 -0.07 0.00 1.11 0.00 0.00 32.58 31.36 1jb0 s HIS 50 CO 0.39 -0.80 1.22 -0.51 -0.85 0.00 0.00 174.74 174.20 1jb0 s LEU 51 N 1.29 3.98 -0.24 0.89 1.43 -1.26 -4.50 118.68 120.27 1jb0 s LEU 51 Ca -0.01 2.44 -0.01 0.00 -1.03 0.00 0.00 54.13 55.52 1jb0 s LEU 51 Cb -0.16 -4.23 0.03 0.00 0.03 0.00 0.00 46.19 41.86 1jb0 s LEU 51 CO -0.09 -1.08 -0.08 -0.69 0.23 0.00 0.00 176.35 174.64 1jb0 s VAL 52 N -1.46 2.68 -0.27 -1.59 1.01 -1.26 -4.96 120.40 114.55 1jb0 s VAL 52 Ca 0.65 -1.11 0.12 0.00 0.00 0.00 0.00 61.98 61.64 1jb0 s VAL 52 Cb -0.32 -2.37 0.60 0.00 0.00 0.00 0.00 36.38 34.29 1jb0 s VAL 52 CO 0.39 0.20 1.58 1.33 0.00 0.00 0.00 175.10 178.60 1jb0 n VAL 53 N 4.63 2.62 -0.19 2.92 0.24 -1.26 -4.60 118.33 122.67 1jb0 n VAL 53 Ca -0.17 -2.04 0.18 0.00 -2.04 0.00 0.00 64.34 60.27 1jb0 n VAL 53 Cb 0.47 -0.32 0.53 0.00 -1.47 0.00 0.00 33.84 33.04 1jb0 n VAL 53 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1jb0 h ASP 54 N 1.83 0.36 0.00 -1.34 -0.00 -1.98 -3.46 116.42 111.84 1jb0 h ASP 54 Ca 0.18 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.23 1jb0 h ASP 54 Cb 1.86 -0.04 0.00 0.00 -0.00 0.00 0.00 39.33 41.15 1jb0 h ASP 54 CO 0.48 0.17 0.00 0.61 -0.00 0.00 0.00 179.24 180.49 1jb0 n GLY 55 N -1.53 2.43 3.71 -0.78 0.00 -1.26 -5.06 105.19 102.69 1jb0 n GLY 55 Ca 0.17 0.00 -0.65 0.00 0.00 0.00 0.00 46.02 45.54 1jb0 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jb0 n ARG 56 N -0.41 0.28 0.23 1.61 1.74 -1.26 -4.83 116.66 114.02 1jb0 n ARG 56 Ca 0.00 0.10 0.09 0.00 -0.77 0.00 0.00 57.85 57.27 1jb0 n ARG 56 Cb 0.00 -1.65 0.57 0.00 -1.02 0.00 0.00 32.46 30.36 1jb0 n ARG 56 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1jb0 h LEU 57 N 5.87 0.00 -2.20 0.55 3.38 -1.99 -1.72 115.31 119.20 1jb0 h LEU 57 Ca -0.42 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1jb0 h LEU 57 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1jb0 h LEU 57 CO 0.98 0.21 -0.03 0.77 0.09 0.00 0.00 178.44 180.46 1jb0 h SER 58 N 0.00 0.00 -0.04 -0.43 4.64 -2.01 -2.12 113.55 113.59 1jb0 h SER 58 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jb0 h SER 58 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1jb0 h SER 58 CO 0.03 0.03 0.00 0.54 -0.87 0.00 0.00 176.83 176.56 1jb0 n ARG 59 N -3.26 0.61 -0.22 4.77 5.12 -0.71 -4.79 116.66 118.18 1jb0 n ARG 59 Ca -0.02 -1.18 0.25 0.00 -1.93 0.00 0.00 57.85 54.97 1jb0 n ARG 59 Cb 0.19 -1.20 0.38 0.00 -1.16 0.00 0.00 32.46 30.67 1jb0 n ARG 59 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jb0 n ALA 60 N 0.56 0.87 1.31 7.54 0.00 -0.80 0.10 120.51 130.10 1jb0 n ALA 60 Ca 0.06 0.30 0.14 0.00 0.00 0.00 0.00 53.44 53.95 1jb0 n ALA 60 Cb 0.27 -0.52 0.65 0.00 0.00 0.00 0.00 19.45 19.84 1jb0 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jb0 n GLY 61 N -1.53 -1.20 0.08 0.00 0.00 -1.26 -0.74 105.19 100.53 1jb0 n GLY 61 Ca 0.20 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1jb0 n GLY 61 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jb0 h ASP 62 N 0.19 0.10 0.00 1.61 5.19 0.37 -3.43 116.42 120.45 1jb0 h ASP 62 Ca 0.00 -0.74 0.00 0.00 -0.62 0.00 0.00 57.03 55.67 1jb0 h ASP 62 Cb 0.36 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1jb0 h ASP 62 CO 0.00 0.82 -0.12 0.33 -3.12 0.00 0.00 179.24 177.16 1jb0 n PHE 63 N -4.64 0.00 -0.20 4.55 7.35 -1.25 -4.80 117.46 118.47 1jb0 n PHE 63 Ca -0.09 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.57 1jb0 n PHE 63 Cb 0.41 0.39 0.04 0.00 0.35 0.00 0.00 39.48 40.67 1jb0 n PHE 63 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1jb0 h LEU 64 N 0.00 -0.75 0.19 -2.13 6.46 -1.83 0.33 115.31 117.57 1jb0 h LEU 64 Ca 0.00 0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1jb0 h LEU 64 Cb 0.12 0.44 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1jb0 h LEU 64 CO 0.00 -0.24 -0.09 0.40 -0.62 0.00 0.00 178.44 177.89 1jb0 h ILE 65 N -0.06 0.89 -0.96 4.05 1.08 -1.23 -2.05 117.51 119.23 1jb0 h ILE 65 Ca 0.27 -0.37 0.08 0.00 -0.39 0.00 0.00 64.86 64.45 1jb0 h ILE 65 Cb 0.49 1.12 -0.07 0.00 -3.07 0.00 0.00 36.82 35.29 1jb0 h ILE 65 CO -0.64 0.09 0.62 -0.65 -0.69 0.00 0.00 178.15 176.87 1jb0 h PRO 66 N -0.43 1.03 0.45 2.37 0.11 -1.66 -1.84 132.00 132.02 1jb0 h PRO 66 Ca -0.03 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1jb0 h PRO 66 Cb 0.33 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1jb0 h PRO 66 CO 0.04 0.68 -0.28 0.77 -0.21 0.00 0.00 178.00 179.00 1jb0 h SER 67 N 1.06 -0.70 -0.98 -2.05 0.02 -0.22 -0.40 113.55 110.28 1jb0 h SER 67 Ca 0.43 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.49 1jb0 h SER 67 Cb 0.26 0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 1jb0 h SER 67 CO -0.18 -0.44 0.63 0.58 -1.14 0.00 0.00 176.83 176.28 1jb0 h VAL 68 N -0.69 1.05 -0.28 2.27 2.07 -1.04 -0.72 116.25 118.91 1jb0 h VAL 68 Ca -0.05 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1jb0 h VAL 68 Cb 0.57 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1jb0 h VAL 68 CO 0.05 0.20 -0.21 0.25 0.02 0.00 0.00 177.57 177.88 1jb0 h LEU 69 N 1.11 0.52 0.16 2.57 5.85 -1.03 -2.12 115.31 122.38 1jb0 h LEU 69 Ca 0.43 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1jb0 h LEU 69 Cb 0.22 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1jb0 h LEU 69 CO -0.19 0.74 -0.08 0.15 -0.34 0.00 0.00 178.44 178.72 1jb0 h PHE 70 N 0.46 -0.20 -0.72 1.25 3.57 0.00 -2.68 116.94 118.62 1jb0 h PHE 70 Ca 0.07 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.69 1jb0 h PHE 70 Cb 0.63 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.35 1jb0 h PHE 70 CO 0.02 0.21 0.29 -0.07 -2.23 0.00 0.00 178.31 176.53 1jb0 h LEU 71 N -0.71 0.30 -0.32 0.59 3.38 -1.17 0.37 115.31 117.75 1jb0 h LEU 71 Ca -0.02 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jb0 h LEU 71 Cb 0.50 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1jb0 h LEU 71 CO 0.04 0.14 0.20 0.22 0.09 0.00 0.00 178.44 179.12 1jb0 h TYR 72 N 0.46 0.41 -0.21 1.13 3.20 -1.39 0.12 116.97 120.70 1jb0 h TYR 72 Ca 0.38 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.12 1jb0 h TYR 72 Cb 0.53 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1jb0 h TYR 72 CO -0.16 0.29 -0.37 0.82 -1.64 0.00 0.00 178.16 177.10 1jb0 h ILE 73 N 0.41 1.32 0.16 1.81 2.04 -0.96 -2.48 117.51 119.82 1jb0 h ILE 73 Ca 0.11 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 1jb0 h ILE 73 Cb -0.01 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1jb0 h ILE 73 CO -0.02 0.49 -0.08 0.00 0.00 0.00 0.00 178.15 178.55 1jb0 h ALA 74 N 0.62 -0.21 -0.55 1.87 0.00 -0.22 -0.46 119.26 120.30 1jb0 h ALA 74 Ca 0.01 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1jb0 h ALA 74 Cb 0.96 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1jb0 h ALA 74 CO 0.08 -0.59 0.37 0.78 0.00 0.00 0.00 179.25 179.89 1jb0 h GLY 75 N -0.26 0.60 0.83 0.00 0.00 -0.82 0.31 103.07 103.73 1jb0 h GLY 75 Ca -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1jb0 h GLY 75 CO 0.04 0.14 -0.32 -0.25 0.00 0.00 0.00 176.54 176.15 1jb0 h TRP 76 N 0.47 -0.82 -0.80 5.60 2.91 -0.92 0.21 115.95 122.60 1jb0 h TRP 76 Ca 0.24 -0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.33 1jb0 h TRP 76 Cb 0.35 0.27 -0.07 0.00 -0.51 0.00 0.00 29.16 29.21 1jb0 h TRP 76 CO -0.00 -0.47 0.46 0.82 -1.03 0.00 0.00 178.44 178.22 1jb0 h ILE 77 N -1.07 0.94 0.62 2.65 2.04 -0.48 -0.79 117.51 121.42 1jb0 h ILE 77 Ca -0.09 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1jb0 h ILE 77 Cb 0.72 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1jb0 h ILE 77 CO 0.15 0.15 -0.30 1.23 0.00 0.00 0.00 178.15 179.38 1jb0 h GLY 78 N 0.80 -0.87 0.45 5.37 0.00 -0.24 -2.12 103.07 106.46 1jb0 h GLY 78 Ca 0.38 0.32 0.15 0.00 0.00 0.00 0.00 47.33 48.18 1jb0 h GLY 78 CO -0.23 -0.32 0.59 -0.25 0.00 0.00 0.00 176.54 176.33 1jb0 h TRP 79 N -0.85 0.84 -0.10 5.60 2.91 -0.44 -1.54 115.95 122.37 1jb0 h TRP 79 Ca -0.09 0.02 -0.17 0.00 1.13 0.00 0.00 58.89 59.79 1jb0 h TRP 79 Cb 0.64 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 1jb0 h TRP 79 CO 0.09 0.29 -0.66 0.28 -1.03 0.00 0.00 178.44 177.40 1jb0 h VAL 80 N 0.69 1.37 -0.30 2.65 2.07 -1.16 -1.74 116.25 119.83 1jb0 h VAL 80 Ca 0.47 -2.02 -0.16 0.00 0.82 0.00 0.00 66.70 65.81 1jb0 h VAL 80 Cb 0.77 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1jb0 h VAL 80 CO -0.23 0.61 -0.46 1.23 0.02 0.00 0.00 177.57 178.75 1jb0 h GLY 81 N 1.27 0.86 1.25 2.17 0.00 -0.66 -2.11 103.07 105.85 1jb0 h GLY 81 Ca -0.02 -0.92 -0.07 0.00 0.00 0.00 0.00 47.33 46.32 1jb0 h GLY 81 CO 0.11 0.83 0.08 -0.09 0.00 0.00 0.00 176.54 177.48 1jb0 h ARG 82 N 0.63 0.92 -0.18 4.80 2.43 -1.23 -1.57 114.38 120.18 1jb0 h ARG 82 Ca 0.04 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 58.96 1jb0 h ARG 82 Cb 1.03 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1jb0 h ARG 82 CO 0.10 0.86 0.02 0.00 -1.51 0.00 0.00 179.97 179.44 1jb0 h ALA 83 N 1.22 0.24 -0.61 2.80 0.00 -1.19 0.10 119.26 121.82 1jb0 h ALA 83 Ca 0.18 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jb0 h ALA 83 Cb 0.40 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1jb0 h ALA 83 CO 0.01 -0.09 0.40 -0.92 0.00 0.00 0.00 179.25 178.66 1jb0 h TYR 84 N 0.08 0.75 -0.21 0.00 3.20 -1.19 -0.02 116.97 119.58 1jb0 h TYR 84 Ca 0.05 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1jb0 h TYR 84 Cb 0.33 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1jb0 h TYR 84 CO 0.02 0.47 -0.08 1.25 -1.64 0.00 0.00 178.16 178.18 1jb0 h LEU 85 N 0.81 0.43 -0.86 2.82 5.85 -0.88 -2.14 115.31 121.34 1jb0 h LEU 85 Ca 0.23 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1jb0 h LEU 85 Cb -0.07 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1jb0 h LEU 85 CO -0.05 0.73 0.50 0.40 -0.34 0.00 0.00 178.44 179.67 1jb0 h ILE 86 N 0.13 1.24 -0.27 4.05 1.08 -0.49 0.71 117.51 123.96 1jb0 h ILE 86 Ca 0.05 -0.57 -0.02 0.00 -0.39 0.00 0.00 64.86 63.93 1jb0 h ILE 86 Cb 0.56 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 1jb0 h ILE 86 CO 0.03 0.26 0.07 0.00 -0.69 0.00 0.00 178.15 177.82 1jb0 h ALA 87 N 1.27 0.35 0.00 1.87 0.00 -0.95 -3.13 119.26 118.67 1jb0 h ALA 87 Ca 0.31 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1jb0 h ALA 87 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1jb0 h ALA 87 CO -0.05 -0.00 -0.57 0.28 0.00 0.00 0.00 179.25 178.90 1jb0 h VAL 88 N 0.27 0.56 0.00 0.00 2.07 -1.29 -3.40 116.25 114.46 1jb0 h VAL 88 Ca 0.09 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.77 1jb0 h VAL 88 Cb 0.26 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1jb0 h VAL 88 CO -0.00 0.32 0.00 -1.14 0.02 0.00 0.00 177.57 176.77 1jb0 n ARG 89 N -3.11 0.00 -2.67 1.57 0.63 0.23 -3.38 116.66 109.94 1jb0 n ARG 89 Ca 0.01 0.39 -0.43 0.00 -0.92 0.00 0.00 57.85 56.90 1jb0 n ARG 89 Cb 0.69 -0.99 -0.02 0.00 0.45 0.00 0.00 32.46 32.58 1jb0 n ARG 89 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1jb0 s ASN 90 N -2.80 6.74 0.00 6.15 0.01 -1.26 -4.03 114.94 119.75 1jb0 s ASN 90 Ca 0.00 0.67 0.00 0.00 -0.71 0.00 0.00 52.86 52.82 1jb0 s ASN 90 Cb 0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1jb0 s ASN 90 CO 0.00 -1.04 0.00 -1.54 -1.51 0.00 0.00 177.10 173.01 1jb0 n SER 91 N 7.26 0.00 -0.05 -1.22 3.41 -1.23 -4.93 113.62 116.86 1jb0 n SER 91 Ca 0.11 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.71 1jb0 n SER 91 Cb 0.48 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1jb0 n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jb0 n GLY 92 N 0.00 0.48 0.59 5.00 0.00 -1.26 -4.83 105.19 105.16 1jb0 n GLY 92 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 1jb0 n GLY 92 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jb0 n GLU 93 N -2.73 0.00 -0.17 1.61 -0.58 -1.26 -4.94 120.64 112.56 1jb0 n GLU 93 Ca -0.01 -0.71 -0.03 0.00 -0.42 0.00 0.00 57.16 56.00 1jb0 n GLU 93 Cb 0.05 -0.25 0.04 0.00 -0.57 0.00 0.00 31.44 30.71 1jb0 n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jb0 h ALA 94 N 0.06 0.32 0.31 0.62 0.00 -1.73 -0.04 119.26 118.81 1jb0 h ALA 94 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jb0 h ALA 94 Cb 1.29 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1jb0 h ALA 94 CO -0.01 -0.45 -0.35 -0.91 0.00 0.00 0.00 179.25 177.54 1jb0 h ASN 95 N -0.02 -0.94 0.19 0.00 2.35 -1.91 -2.31 115.58 112.93 1jb0 h ASN 95 Ca 0.26 0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 56.05 1jb0 h ASN 95 Cb 0.41 0.33 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1jb0 h ASN 95 CO -0.56 -0.48 -0.18 -0.08 -1.65 0.00 0.00 177.43 174.48 1jb0 h GLU 96 N -0.69 0.00 -0.01 0.81 4.81 -1.84 -2.49 114.58 115.16 1jb0 h GLU 96 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1jb0 h GLU 96 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1jb0 h GLU 96 CO -0.08 0.18 0.00 1.63 -0.73 0.00 0.00 179.01 180.00 1jb0 n LYS 97 N -4.29 1.25 0.01 1.92 5.02 -0.07 -0.98 118.16 121.02 1jb0 n LYS 97 Ca -0.02 -0.37 0.06 0.00 -2.02 0.00 0.00 58.31 55.96 1jb0 n LYS 97 Cb 0.24 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.67 1jb0 n LYS 97 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jb0 n GLU 98 N -0.53 0.65 -0.08 1.97 1.02 -0.90 -4.07 120.64 118.69 1jb0 n GLU 98 Ca 0.21 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.22 1jb0 n GLU 98 Cb 0.20 -1.64 -0.11 0.00 -0.02 0.00 0.00 31.44 29.87 1jb0 n GLU 98 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1jb0 n ILE 99 N -2.52 1.08 -3.73 -3.67 -5.35 -1.19 -4.70 119.36 99.27 1jb0 n ILE 99 Ca -0.08 -0.57 -0.36 0.00 -0.27 0.00 0.00 62.75 61.47 1jb0 n ILE 99 Cb 0.69 -0.83 -0.10 0.00 -1.74 0.00 0.00 39.64 37.66 1jb0 n ILE 99 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1jb0 s ILE 100 N -2.38 3.63 0.34 7.28 1.01 -0.15 -5.07 121.20 125.86 1jb0 s ILE 100 Ca -0.15 -2.92 -0.29 0.00 0.00 0.00 0.00 60.65 57.30 1jb0 s ILE 100 Cb 0.05 -3.38 -0.11 0.00 0.01 0.00 0.00 42.46 39.03 1jb0 s ILE 100 CO 0.56 -0.86 1.44 -0.63 0.00 0.00 0.00 174.94 175.45 1jb0 s ILE 101 N 0.00 2.29 -0.99 2.92 -1.09 -1.26 -4.16 121.20 118.92 1jb0 s ILE 101 Ca 0.16 0.28 -0.19 0.00 -2.23 0.00 0.00 60.65 58.68 1jb0 s ILE 101 Cb -0.21 -3.18 0.12 0.00 -1.58 0.00 0.00 42.46 37.62 1jb0 s ILE 101 CO -0.03 0.06 1.24 -0.62 -1.23 0.00 0.00 174.94 174.36 1jb0 s ASP 102 N -0.12 6.68 0.20 3.58 2.15 -1.26 -4.91 116.67 123.00 1jb0 s ASP 102 Ca 0.53 -2.11 -0.17 0.00 0.43 0.00 0.00 52.55 51.24 1jb0 s ASP 102 Cb -0.44 -2.43 0.19 0.00 -0.30 0.00 0.00 42.92 39.94 1jb0 s ASP 102 CO 0.57 -1.08 1.60 0.58 -0.17 0.00 0.00 175.17 176.67 1jb0 h VAL 103 N 5.79 0.25 -0.03 1.11 2.07 -1.98 0.09 116.25 123.56 1jb0 h VAL 103 Ca 0.20 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.75 1jb0 h VAL 103 Cb 1.00 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1jb0 h VAL 103 CO 1.18 0.00 -0.21 -0.65 0.02 0.00 0.00 177.57 177.91 1jb0 h PRO 104 N -0.09 -0.31 -0.88 1.57 0.11 -2.00 0.16 132.00 130.56 1jb0 h PRO 104 Ca 0.28 0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.47 1jb0 h PRO 104 Cb 0.52 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.64 1jb0 h PRO 104 CO -0.68 -0.21 0.55 1.25 -0.21 0.00 0.00 178.00 178.70 1jb0 h LEU 105 N -0.32 0.86 0.31 2.35 6.46 -1.84 -1.98 115.31 121.14 1jb0 h LEU 105 Ca 0.07 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1jb0 h LEU 105 Cb 0.42 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 1jb0 h LEU 105 CO -0.21 0.54 -0.26 0.00 -0.62 0.00 0.00 178.44 177.89 1jb0 h ALA 106 N 1.42 -0.58 -0.94 1.25 0.00 0.28 -2.16 119.26 118.53 1jb0 h ALA 106 Ca 0.39 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.29 1jb0 h ALA 106 Cb 0.19 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1jb0 h ALA 106 CO -0.18 -0.85 0.58 0.82 0.00 0.00 0.00 179.25 179.62 1jb0 h ILE 107 N -0.59 0.97 -0.71 0.00 2.04 -0.48 -1.41 117.51 117.34 1jb0 h ILE 107 Ca -0.02 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.54 1jb0 h ILE 107 Cb 0.52 -0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 1jb0 h ILE 107 CO -0.03 0.18 0.44 0.50 0.00 0.00 0.00 178.15 179.24 1jb0 h LYS 108 N 0.98 0.82 -0.39 2.37 3.64 -0.98 -2.01 116.57 121.01 1jb0 h LYS 108 Ca 0.44 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.67 1jb0 h LYS 108 Cb 0.34 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1jb0 h LYS 108 CO -0.23 0.55 -0.14 0.00 -2.27 0.00 0.00 179.45 177.36 1jb0 h MET 110 N 0.59 0.76 0.00 0.00 2.86 -0.89 -0.61 114.93 117.64 1jb0 h MET 110 Ca 0.09 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1jb0 h MET 110 Cb 0.68 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1jb0 h MET 110 CO 0.05 0.50 -0.10 -0.07 1.06 0.00 0.00 176.91 178.36 1jb0 h LEU 111 N 0.78 0.00 -2.07 1.22 3.38 -1.35 0.14 115.31 117.41 1jb0 h LEU 111 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1jb0 h LEU 111 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1jb0 h LEU 111 CO -0.24 0.10 0.00 0.74 0.09 0.00 0.00 178.44 179.13 1jb0 h THR 112 N 0.00 0.00 -0.13 0.22 2.02 -1.12 -3.36 112.91 110.54 1jb0 h THR 112 Ca -0.00 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 66.92 1jb0 h THR 112 Cb 0.21 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1jb0 h THR 112 CO 0.01 0.00 -0.07 0.61 0.37 0.00 0.00 175.52 176.44 1jb0 n GLY 113 N -0.48 -2.63 0.61 2.16 0.00 0.50 -2.21 105.19 103.15 1jb0 n GLY 113 Ca -0.01 0.58 0.42 0.00 0.00 0.00 0.00 46.02 47.01 1jb0 n GLY 113 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1jb0 h PHE 114 N 0.00 0.00 -0.22 1.61 -5.15 -1.79 0.67 116.94 112.05 1jb0 h PHE 114 Ca 0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 1jb0 h PHE 114 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.22 1jb0 h PHE 114 CO -0.82 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 175.49 1jb0 n ALA 115 N -2.71 2.49 -0.35 12.09 0.00 -0.94 -4.60 120.51 126.49 1jb0 n ALA 115 Ca 0.33 -0.67 0.23 0.00 0.00 0.00 0.00 53.44 53.34 1jb0 n ALA 115 Cb 1.64 -1.01 0.48 0.00 0.00 0.00 0.00 19.45 20.56 1jb0 n ALA 115 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1jb0 h TRP 116 N 3.00 0.81 -0.18 0.00 5.08 0.29 -0.39 115.95 124.56 1jb0 h TRP 116 Ca 0.00 0.03 -0.04 0.00 1.08 0.00 0.00 58.89 59.96 1jb0 h TRP 116 Cb 0.66 -0.22 -0.01 0.00 -3.00 0.00 0.00 29.16 26.58 1jb0 h TRP 116 CO 0.14 -0.03 -0.05 -1.35 -1.28 0.00 0.00 178.44 175.88 1jb0 h PRO 117 N 0.39 0.27 0.06 0.12 0.11 -1.83 0.84 132.00 131.96 1jb0 h PRO 117 Ca 0.67 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.63 1jb0 h PRO 117 Cb 1.60 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.68 1jb0 h PRO 117 CO -0.44 0.34 -0.45 1.25 -0.21 0.00 0.00 178.00 178.49 1jb0 h LEU 118 N 0.26 0.28 -1.49 2.35 5.85 -1.46 -2.68 115.31 118.42 1jb0 h LEU 118 Ca 0.06 -0.93 0.10 0.00 0.84 0.00 0.00 57.88 57.95 1jb0 h LEU 118 Cb 0.26 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1jb0 h LEU 118 CO 0.01 1.19 0.46 0.00 -0.34 0.00 0.00 178.44 179.76 1jb0 h ALA 119 N 0.10 1.89 -0.10 1.25 0.00 -1.13 0.13 119.26 121.41 1jb0 h ALA 119 Ca -0.07 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1jb0 h ALA 119 Cb 1.31 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1jb0 h ALA 119 CO 0.09 -0.05 -0.73 0.00 0.00 0.00 0.00 179.25 178.56 1jb0 h ALA 120 N 1.65 0.22 -0.50 0.00 0.00 -0.90 -2.37 119.26 117.35 1jb0 h ALA 120 Ca 0.33 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1jb0 h ALA 120 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1jb0 h ALA 120 CO -0.11 0.57 0.30 -0.07 0.00 0.00 0.00 179.25 179.94 1jb0 h LEU 121 N 0.34 0.60 -0.15 0.00 3.38 -0.88 0.70 115.31 119.30 1jb0 h LEU 121 Ca -0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1jb0 h LEU 121 Cb 1.38 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1jb0 h LEU 121 CO 0.15 0.48 0.09 0.11 0.09 0.00 0.00 178.44 179.36 1jb0 h LYS 122 N 0.67 0.21 -0.64 1.13 1.57 -0.81 -1.05 116.57 117.64 1jb0 h LYS 122 Ca 0.18 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1jb0 h LYS 122 Cb -0.01 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1jb0 h LYS 122 CO -0.03 0.18 0.26 0.93 -0.57 0.00 0.00 179.45 180.21 1jb0 h GLU 123 N 0.17 0.94 0.52 3.15 5.08 -1.17 -0.62 114.58 122.66 1jb0 h GLU 123 Ca 0.05 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1jb0 h GLU 123 Cb 0.02 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.12 1jb0 h GLU 123 CO -0.01 0.77 -0.25 1.25 -1.00 0.00 0.00 179.01 179.77 1jb0 h LEU 124 N 0.93 -0.59 -1.11 1.33 5.85 -0.54 -0.83 115.31 120.34 1jb0 h LEU 124 Ca 0.22 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.04 1jb0 h LEU 124 Cb 0.18 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 1jb0 h LEU 124 CO -0.02 -0.36 0.61 0.00 -0.34 0.00 0.00 178.44 178.33 1jb0 h ALA 125 N -0.35 1.62 -0.24 1.25 0.00 -0.92 -1.79 119.26 118.84 1jb0 h ALA 125 Ca -0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jb0 h ALA 125 Cb 0.57 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jb0 h ALA 125 CO 0.12 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.39 1jb0 n SER 126 N -4.58 1.69 -1.75 0.00 3.41 -0.26 -4.94 113.62 107.19 1jb0 n SER 126 Ca 0.18 -1.82 -0.15 0.00 -0.26 0.00 0.00 58.87 56.82 1jb0 n SER 126 Cb 0.37 -0.16 -0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1jb0 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jb0 n GLY 127 N 1.08 -0.21 0.27 5.00 0.00 -0.67 -4.90 105.19 105.76 1jb0 n GLY 127 Ca 0.14 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.97 1jb0 n GLY 127 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jb0 n GLU 128 N -2.51 1.98 0.02 1.61 1.02 -0.36 -4.60 120.64 117.81 1jb0 n GLU 128 Ca -0.15 -0.65 -0.12 0.00 -0.02 0.00 0.00 57.16 56.22 1jb0 n GLU 128 Cb 0.62 -1.15 -0.09 0.00 -0.02 0.00 0.00 31.44 30.80 1jb0 n GLU 128 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1jb0 h LEU 129 N 1.31 -0.10-10.33 -4.62 5.85 -1.75 -3.47 115.31 102.20 1jb0 h LEU 129 Ca 0.00 -0.46 -0.46 0.00 0.84 0.00 0.00 57.88 57.80 1jb0 h LEU 129 Cb 0.42 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1jb0 h LEU 129 CO 0.00 0.46 -0.30 0.42 -0.34 0.00 0.00 178.44 178.67 1jb0 s THR 130 N -3.70 2.75 0.30 1.05 -4.23 -1.26 -5.06 115.64 105.49 1jb0 s THR 130 Ca -0.15 -1.17 0.09 0.00 -1.18 0.00 0.00 61.69 59.28 1jb0 s THR 130 Cb 0.01 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 1jb0 s THR 130 CO 0.58 0.00 0.07 0.00 -0.54 0.00 0.00 174.62 174.73 1jb0 s ALA 131 N -2.44 3.33 0.47 3.99 0.00 -1.26 -5.03 121.76 120.82 1jb0 s ALA 131 Ca 0.52 -1.73 -0.20 0.00 0.00 0.00 0.00 51.96 50.54 1jb0 s ALA 131 Cb -0.06 -0.76 -0.09 0.00 0.00 0.00 0.00 23.12 22.20 1jb0 s ALA 131 CO 0.31 0.16 1.01 0.15 0.00 0.00 0.00 175.76 177.39 1jb0 s LYS 132 N -3.76 3.91 0.21 0.00 1.02 -1.26 -4.96 119.74 114.90 1jb0 s LYS 132 Ca 0.34 1.29 -0.10 0.00 0.02 0.00 0.00 55.97 57.52 1jb0 s LYS 132 Cb -0.04 -2.12 0.20 0.00 -0.52 0.00 0.00 37.83 35.35 1jb0 s LYS 132 CO 0.21 -0.33 1.84 -0.44 -0.92 0.00 0.00 175.35 175.72 1jb0 h ASP 133 N 1.62 0.71 0.00 2.83 3.45 -1.99 -2.14 116.42 120.90 1jb0 h ASP 133 Ca -0.49 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.97 1jb0 h ASP 133 Cb 1.21 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.83 1jb0 h ASP 133 CO 0.60 0.49 0.00 -0.46 -1.57 0.00 0.00 179.24 178.29 1jb0 n ASN 134 N -4.67 0.47 0.00 6.45 0.23 -1.26 -2.29 115.26 114.19 1jb0 n ASN 134 Ca 0.08 -1.67 0.00 0.00 -0.53 0.00 0.00 54.58 52.45 1jb0 n ASN 134 Cb 0.10 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 1jb0 n ASN 134 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1jb0 n GLU 135 N -0.17 0.01 -4.74 -3.83 1.02 -0.80 -4.99 120.64 107.15 1jb0 n GLU 135 Ca 0.00 -0.75 -0.33 0.00 -0.02 0.00 0.00 57.16 56.06 1jb0 n GLU 135 Cb 0.12 -1.00 -0.13 0.00 -0.02 0.00 0.00 31.44 30.41 1jb0 n GLU 135 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1jb0 s ILE 136 N -0.25 3.35 0.55 -3.67 1.01 -0.97 -4.99 121.20 116.22 1jb0 s ILE 136 Ca 0.00 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 1jb0 s ILE 136 Cb 0.00 -2.36 -0.06 0.00 0.01 0.00 0.00 42.46 40.05 1jb0 s ILE 136 CO 0.00 0.57 1.11 0.28 0.00 0.00 0.00 174.94 176.90 1jb0 s THR 137 N -0.46 3.32 0.13 2.92 -1.32 -1.26 -5.02 115.64 113.95 1jb0 s THR 137 Ca 0.06 0.78 -0.08 0.00 -1.21 0.00 0.00 61.69 61.24 1jb0 s THR 137 Cb -0.12 -3.30 -0.01 0.00 -1.51 0.00 0.00 72.50 67.56 1jb0 s THR 137 CO 0.02 -0.21 0.23 0.68 -2.21 0.00 0.00 174.62 173.13 1jb0 s VAL 138 N -1.90 0.10 0.39 5.08 -7.23 -1.26 -5.17 120.40 110.41 1jb0 s VAL 138 Ca 0.71 -1.34 -0.00 0.00 -1.81 0.00 0.00 61.98 59.54 1jb0 s VAL 138 Cb -0.22 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 1jb0 s VAL 138 CO 0.28 -0.45 0.62 -0.94 -0.31 0.00 0.00 175.10 174.29 1jb0 s SER 139 N -2.93 6.17 0.58 4.85 1.04 -1.26 -5.04 113.70 117.10 1jb0 s SER 139 Ca 0.13 0.48 -0.20 0.00 0.48 0.00 0.00 55.95 56.84 1jb0 s SER 139 Cb 0.04 -1.93 -0.05 0.00 0.10 0.00 0.00 66.02 64.18 1jb0 s SER 139 CO -0.04 -0.45 1.11 -2.65 0.98 0.00 0.00 173.24 172.19 1jb0 n PRO 140 N -1.94 1.16 0.00 4.02 -0.02 -1.26 -5.32 135.00 131.64 1jb0 n PRO 140 Ca -0.02 0.44 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 1jb0 n PRO 140 Cb 0.56 -2.31 0.31 0.00 -0.02 0.00 0.00 33.50 32.04 1jb0 n PRO 140 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02