#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 h VAL 2 N 0.00 1.41 -0.11 -1.45 -1.51 -2.00 -3.15 116.25 109.44 1jj2 h VAL 2 Ca 0.00 -2.87 0.00 0.00 -1.23 0.00 0.00 66.70 62.60 1jj2 h VAL 2 Cb 0.00 2.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1jj2 h VAL 2 CO 0.00 0.78 0.00 0.00 -1.23 0.00 0.00 177.57 177.12 1jj2 n TYR 3 N -3.37 0.11 -3.62 5.19 0.18 -1.26 -4.83 117.16 109.56 1jj2 n TYR 3 Ca 0.00 -0.05 -0.39 0.00 1.88 0.00 0.00 57.90 59.34 1jj2 n TYR 3 Cb 0.83 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.68 1jj2 n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1jj2 s VAL 4 N -1.89 4.73 -1.42 -3.48 1.01 -1.19 -4.86 120.40 113.30 1jj2 s VAL 4 Ca 0.32 -0.46 0.13 0.00 0.00 0.00 0.00 61.98 61.97 1jj2 s VAL 4 Cb 0.21 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 33.18 1jj2 s VAL 4 CO 0.31 -0.00 0.83 0.47 0.00 0.00 0.00 175.10 176.71 1jj2 n ASP 5 N 5.01 1.77 -3.72 3.32 8.00 -1.26 -4.71 116.55 124.96 1jj2 n ASP 5 Ca -0.13 -1.39 -0.14 0.00 0.71 0.00 0.00 54.79 53.84 1jj2 n ASP 5 Cb 0.49 0.22 -0.09 0.00 -0.02 0.00 0.00 41.12 41.72 1jj2 n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1jj2 s PHE 6 N -1.33 -0.32 -0.19 1.24 -0.12 -1.26 -5.13 117.98 110.87 1jj2 s PHE 6 Ca 0.13 0.61 -0.12 0.00 -0.05 0.00 0.00 56.93 57.50 1jj2 s PHE 6 Cb 0.11 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.60 1jj2 s PHE 6 CO 0.24 -0.37 0.22 0.34 -0.05 0.00 0.00 175.22 175.59 1jj2 s ASP 7 N -0.90 6.31 -0.35 1.98 2.15 -1.26 -4.98 116.67 119.62 1jj2 s ASP 7 Ca -0.10 0.35 -0.18 0.00 0.43 0.00 0.00 52.55 53.06 1jj2 s ASP 7 Cb -0.04 -2.14 -0.00 0.00 -0.30 0.00 0.00 42.92 40.44 1jj2 s ASP 7 CO 0.04 0.12 0.49 -0.69 -0.17 0.00 0.00 175.17 174.96 1jj2 s VAL 8 N 0.53 5.04 0.39 1.11 1.01 -1.26 -5.05 120.40 122.17 1jj2 s VAL 8 Ca 0.12 0.30 -0.26 0.00 0.00 0.00 0.00 61.98 62.14 1jj2 s VAL 8 Cb -0.12 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 1jj2 s VAL 8 CO 0.02 -0.20 1.19 -2.65 0.00 0.00 0.00 175.10 173.46 1jj2 n PRO 9 N 5.69 1.79 -0.30 2.72 -0.02 -1.26 -4.75 135.00 138.88 1jj2 n PRO 9 Ca -0.05 0.64 0.03 0.00 -2.02 0.00 0.00 63.50 62.09 1jj2 n PRO 9 Cb 0.49 -2.25 0.10 0.00 -0.02 0.00 0.00 33.50 31.82 1jj2 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jj2 h ALA 10 N 2.05 0.52 -0.66 3.55 0.00 -2.00 0.08 119.26 122.80 1jj2 h ALA 10 Ca -0.46 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1jj2 h ALA 10 Cb 1.31 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 1jj2 h ALA 10 CO 0.60 -0.42 0.41 -0.44 0.00 0.00 0.00 179.25 179.41 1jj2 h ASP 11 N -0.01 0.78 -0.49 0.00 3.32 -2.00 -2.18 116.42 115.84 1jj2 h ASP 11 Ca 0.40 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.32 1jj2 h ASP 11 Cb 0.61 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1jj2 h ASP 11 CO -0.86 0.59 -0.06 0.25 -1.72 0.00 0.00 179.24 177.44 1jj2 h LEU 12 N 0.91 0.91 -1.14 1.55 6.46 -1.34 -2.63 115.31 120.02 1jj2 h LEU 12 Ca 0.24 -0.34 0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1jj2 h LEU 12 Cb -0.06 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 39.58 1jj2 h LEU 12 CO -0.05 1.03 0.58 -0.08 -0.62 0.00 0.00 178.44 179.30 1jj2 h GLU 13 N 0.77 1.16 -0.24 1.25 4.81 -0.89 -1.44 114.58 120.00 1jj2 h GLU 13 Ca 0.13 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1jj2 h GLU 13 Cb 0.60 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1jj2 h GLU 13 CO 0.04 0.77 0.07 -0.44 -0.73 0.00 0.00 179.01 178.71 1jj2 h ASP 14 N 1.19 0.35 -0.90 1.04 3.32 -1.17 0.06 116.42 120.32 1jj2 h ASP 14 Ca 0.32 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 57.19 1jj2 h ASP 14 Cb -0.14 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.27 1jj2 h ASP 14 CO -0.07 0.48 0.58 0.44 -1.72 0.00 0.00 179.24 178.95 1jj2 h ASP 15 N 0.21 0.96 0.42 6.45 3.32 -1.12 0.76 116.42 127.41 1jj2 h ASP 15 Ca 0.08 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1jj2 h ASP 15 Cb 0.26 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1jj2 h ASP 15 CO -0.00 0.65 -0.20 0.00 -1.72 0.00 0.00 179.24 177.97 1jj2 h ALA 16 N 1.38 -0.56 -0.20 3.45 0.00 -0.91 -0.13 119.26 122.29 1jj2 h ALA 16 Ca 0.36 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1jj2 h ALA 16 Cb 0.04 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1jj2 h ALA 16 CO -0.13 -0.78 0.07 -0.07 0.00 0.00 0.00 179.25 178.34 1jj2 h LEU 17 N -0.63 0.08 -0.51 0.00 3.38 -0.70 -0.26 115.31 116.67 1jj2 h LEU 17 Ca -0.06 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.03 1jj2 h LEU 17 Cb 0.47 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 1jj2 h LEU 17 CO 0.09 0.08 -0.15 -0.33 0.09 0.00 0.00 178.44 178.22 1jj2 h GLU 18 N 0.17 -0.02 -0.99 1.13 5.08 -0.74 0.19 114.58 119.40 1jj2 h GLU 18 Ca 0.08 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1jj2 h GLU 18 Cb 0.05 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1jj2 h GLU 18 CO -0.08 -0.02 0.64 0.00 -1.00 0.00 0.00 179.01 178.55 1jj2 h ALA 19 N 1.46 1.35 -0.61 3.43 0.00 -0.39 -2.11 119.26 122.38 1jj2 h ALA 19 Ca 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jj2 h ALA 19 Cb 0.40 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1jj2 h ALA 19 CO -0.54 0.47 0.38 1.25 0.00 0.00 0.00 179.25 180.81 1jj2 h LEU 20 N 1.19 0.73 -0.81 0.00 5.85 0.11 -1.28 115.31 121.09 1jj2 h LEU 20 Ca 0.41 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 1jj2 h LEU 20 Cb 0.11 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1jj2 h LEU 20 CO -0.16 0.56 0.45 -0.33 -0.34 0.00 0.00 178.44 178.62 1jj2 h GLU 21 N 0.83 1.13 0.00 1.25 5.08 -0.46 -0.61 114.58 121.80 1jj2 h GLU 21 Ca 0.22 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1jj2 h GLU 21 Cb -0.04 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 28.99 1jj2 h GLU 21 CO -0.04 0.83 0.00 1.33 -1.00 0.00 0.00 179.01 180.13 1jj2 n VAL 22 N -4.41 0.72 0.10 3.13 0.24 -1.00 -2.89 118.33 114.22 1jj2 n VAL 22 Ca 0.08 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.34 62.15 1jj2 n VAL 22 Cb 0.09 -0.90 -0.13 0.00 -1.47 0.00 0.00 33.84 31.43 1jj2 n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jj2 h ALA 23 N 2.38 -0.01 0.00 2.33 0.00 0.06 0.04 119.26 124.06 1jj2 h ALA 23 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 1jj2 h ALA 23 Cb 0.54 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1jj2 h ALA 23 CO 0.00 0.71 -0.44 0.07 0.00 0.00 0.00 179.25 179.59 1jj2 h ARG 24 N 0.25 0.00 0.10 0.00 0.11 -1.23 0.23 114.38 113.85 1jj2 h ARG 24 Ca -0.19 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.62 1jj2 h ARG 24 Cb 1.95 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.02 1jj2 h ARG 24 CO 0.24 0.44 -1.38 -0.44 0.10 0.00 0.00 179.97 178.93 1jj2 h ASP 25 N 0.00 0.33 0.15 0.08 3.32 -1.57 -3.42 116.42 115.32 1jj2 h ASP 25 Ca -0.00 -0.83 -0.36 0.00 0.02 0.00 0.00 57.03 55.86 1jj2 h ASP 25 Cb 0.80 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1jj2 h ASP 25 CO 0.06 1.60 -2.05 0.41 -1.72 0.00 0.00 179.24 177.53 1jj2 n THR 26 N -3.97 1.69 -0.02 0.35 -1.04 -0.00 -5.01 114.28 106.28 1jj2 n THR 26 Ca -0.25 -0.67 0.00 0.00 -2.04 0.00 0.00 64.05 61.09 1jj2 n THR 26 Cb 0.87 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 1jj2 n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jj2 n GLY 27 N 1.97 4.69 3.12 3.41 0.00 0.79 -4.66 105.19 114.51 1jj2 n GLY 27 Ca -0.32 -1.63 -0.20 0.00 0.00 0.00 0.00 46.02 43.87 1jj2 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 s ALA 28 N -2.16 1.11 0.02 4.61 0.00 -0.39 -4.56 121.76 120.38 1jj2 s ALA 28 Ca 0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 1jj2 s ALA 28 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1jj2 s ALA 28 CO 0.00 0.22 -0.03 0.14 0.00 0.00 0.00 175.76 176.09 1jj2 s VAL 29 N -0.72 0.10 -0.15 0.00 -7.23 -1.26 0.01 120.40 111.16 1jj2 s VAL 29 Ca 0.02 -0.81 -0.02 0.00 -1.81 0.00 0.00 61.98 59.35 1jj2 s VAL 29 Cb -0.07 -0.23 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 1jj2 s VAL 29 CO 0.01 -0.45 -0.07 -0.54 -0.31 0.00 0.00 175.10 173.74 1jj2 s LYS 30 N -1.30 3.57 -0.12 4.82 -0.14 0.20 -4.84 119.74 121.92 1jj2 s LYS 30 Ca -0.14 -0.58 -0.01 0.00 -1.36 0.00 0.00 55.97 53.87 1jj2 s LYS 30 Cb -0.09 -2.81 -0.02 0.00 -1.68 0.00 0.00 37.83 33.22 1jj2 s LYS 30 CO -0.01 0.23 -0.07 0.15 -0.76 0.00 0.00 175.35 174.89 1jj2 s LYS 31 N 0.36 3.34 0.00 1.68 1.02 -1.26 -0.78 119.74 124.10 1jj2 s LYS 31 Ca -0.07 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1jj2 s LYS 31 Cb -0.15 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1jj2 s LYS 31 CO 0.04 0.35 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 1jj2 n GLY 32 N 3.18 2.72 0.32 -3.33 0.00 -0.76 -4.66 105.19 102.66 1jj2 n GLY 32 Ca -0.18 -1.56 0.01 0.00 0.00 0.00 0.00 46.02 44.29 1jj2 n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jj2 h THR 33 N 0.00 1.17 -0.11 2.61 2.02 -1.93 -1.03 112.91 115.63 1jj2 h THR 33 Ca 0.00 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 1jj2 h THR 33 Cb 0.00 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1jj2 h THR 33 CO 0.00 0.18 -0.06 -1.13 0.37 0.00 0.00 175.52 174.89 1jj2 h ASN 34 N 0.80 0.24 0.31 4.18 -1.24 -1.94 -0.92 115.58 117.02 1jj2 h ASN 34 Ca 0.21 -0.41 -0.06 0.00 0.71 0.00 0.00 56.30 56.74 1jj2 h ASN 34 Cb -0.00 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 1jj2 h ASN 34 CO -0.04 0.60 -0.30 -0.33 -1.29 0.00 0.00 177.43 176.08 1jj2 h GLU 35 N -0.12 0.00 -0.01 6.67 5.08 -1.79 -2.54 114.58 121.87 1jj2 h GLU 35 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1jj2 h GLU 35 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1jj2 h GLU 35 CO 0.02 0.30 -0.01 1.15 -1.00 0.00 0.00 179.01 179.47 1jj2 h THR 36 N 0.00 1.40 -0.83 1.13 2.02 -1.09 -2.96 112.91 112.58 1jj2 h THR 36 Ca -0.00 -1.19 0.16 0.00 0.77 0.00 0.00 66.41 66.14 1jj2 h THR 36 Cb 0.54 2.20 -0.10 0.00 -1.74 0.00 0.00 68.15 69.05 1jj2 h THR 36 CO 0.04 0.31 0.39 0.74 0.37 0.00 0.00 175.52 177.37 1jj2 h THR 37 N -0.49 0.66 0.00 3.16 2.02 -0.95 0.87 112.91 118.19 1jj2 h THR 37 Ca 0.00 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1jj2 h THR 37 Cb 0.51 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1jj2 h THR 37 CO 0.00 0.10 -0.20 0.11 0.37 0.00 0.00 175.52 175.90 1jj2 h LYS 38 N 0.53 0.00 0.34 6.66 1.57 -1.42 -2.10 116.57 122.16 1jj2 h LYS 38 Ca 0.47 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.23 1jj2 h LYS 38 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1jj2 h LYS 38 CO -0.40 0.20 -0.16 0.77 -0.57 0.00 0.00 179.45 179.28 1jj2 h SER 39 N 0.00 -0.39 -0.90 0.86 0.02 -0.66 0.13 113.55 112.61 1jj2 h SER 39 Ca -0.00 -0.15 0.14 0.00 -0.84 0.00 0.00 61.79 60.94 1jj2 h SER 39 Cb 0.46 0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.03 1jj2 h SER 39 CO 0.03 -0.04 0.58 0.40 -1.14 0.00 0.00 176.83 176.65 1jj2 h ILE 40 N -0.78 0.85 0.01 3.27 2.04 -1.30 0.65 117.51 122.26 1jj2 h ILE 40 Ca -0.05 -0.25 -0.25 0.00 1.00 0.00 0.00 64.86 65.32 1jj2 h ILE 40 Cb 0.51 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1jj2 h ILE 40 CO 0.08 0.13 -1.01 -0.33 0.00 0.00 0.00 178.15 177.02 1jj2 h GLU 41 N 0.72 0.52 -0.00 2.37 5.08 -1.26 -3.11 114.58 118.90 1jj2 h GLU 41 Ca 0.45 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1jj2 h GLU 41 Cb 0.68 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1jj2 h GLU 41 CO -0.21 1.21 -0.12 0.54 -1.00 0.00 0.00 179.01 179.43 1jj2 n ARG 42 N -3.78 0.70 -0.46 2.33 1.74 0.43 -4.92 116.66 112.70 1jj2 n ARG 42 Ca -0.09 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 1jj2 n ARG 42 Cb 0.87 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 1jj2 n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jj2 n GLY 43 N 1.28 1.61 0.00 -0.13 0.00 0.22 -4.87 105.19 103.30 1jj2 n GLY 43 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1jj2 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jj2 n SER 44 N 0.00 0.00 -4.78 1.61 3.41 -0.87 -4.78 113.62 108.21 1jj2 n SER 44 Ca 0.00 -0.53 -0.39 0.00 -0.26 0.00 0.00 58.87 57.69 1jj2 n SER 44 Cb 0.00 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 1jj2 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jj2 s ALA 45 N -2.12 3.51 -0.13 7.33 0.00 -1.22 -4.21 121.76 124.93 1jj2 s ALA 45 Ca 0.30 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.39 1jj2 s ALA 45 Cb 0.15 -2.75 -0.11 0.00 0.00 0.00 0.00 23.12 20.41 1jj2 s ALA 45 CO 0.26 0.25 -0.05 0.39 0.00 0.00 0.00 175.76 176.61 1jj2 n GLU 46 N 2.26 1.16 -3.67 0.00 1.02 -1.07 -4.84 120.64 115.51 1jj2 n GLU 46 Ca -0.08 0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 57.02 1jj2 n GLU 46 Cb 0.51 -1.28 -0.10 0.00 -0.02 0.00 0.00 31.44 30.55 1jj2 n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1jj2 s LEU 47 N -5.38 -0.51 -0.07 -4.62 2.96 -1.22 -4.07 118.68 105.77 1jj2 s LEU 47 Ca -0.13 1.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 1jj2 s LEU 47 Cb 0.04 1.45 -0.03 0.00 0.50 0.00 0.00 46.19 48.15 1jj2 s LEU 47 CO 0.38 -0.22 -0.08 0.68 -1.32 0.00 0.00 176.35 175.79 1jj2 s VAL 48 N 2.19 3.56 -0.09 1.68 -7.23 -0.46 -0.15 120.40 119.91 1jj2 s VAL 48 Ca -0.05 -0.53 -0.02 0.00 -1.81 0.00 0.00 61.98 59.58 1jj2 s VAL 48 Cb -0.10 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 1jj2 s VAL 48 CO -0.13 0.59 -0.01 -0.36 -0.31 0.00 0.00 175.10 174.87 1jj2 s PHE 49 N -0.67 3.11 -0.07 2.82 0.40 0.30 -0.82 117.98 123.05 1jj2 s PHE 49 Ca 0.10 0.13 -0.00 0.00 -0.60 0.00 0.00 56.93 56.55 1jj2 s PHE 49 Cb -0.11 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.65 1jj2 s PHE 49 CO 0.02 0.40 -0.03 0.08 0.70 0.00 0.00 175.22 176.39 1jj2 s VAL 50 N -0.76 0.55 0.80 -0.44 1.01 -0.51 -0.46 120.40 120.59 1jj2 s VAL 50 Ca 0.12 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 1jj2 s VAL 50 Cb -0.11 -0.64 0.07 0.00 0.00 0.00 0.00 36.38 35.70 1jj2 s VAL 50 CO 0.02 0.27 1.09 0.00 0.00 0.00 0.00 175.10 176.49 1jj2 s ALA 51 N 1.61 2.10 -0.75 5.51 0.00 -0.40 -1.34 121.76 128.50 1jj2 s ALA 51 Ca 0.00 0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.26 1jj2 s ALA 51 Cb -0.13 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1jj2 s ALA 51 CO -0.04 -1.91 0.57 0.39 0.00 0.00 0.00 175.76 174.77 1jj2 n GLU 52 N -3.61 2.10 -1.20 0.00 1.02 0.15 -4.51 120.64 114.60 1jj2 n GLU 52 Ca 0.09 -0.56 -0.21 0.00 -0.02 0.00 0.00 57.16 56.46 1jj2 n GLU 52 Cb 0.53 -1.03 0.15 0.00 -0.02 0.00 0.00 31.44 31.08 1jj2 n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1jj2 n ASP 53 N -0.26 4.33 -4.70 1.62 5.75 -1.20 -4.53 116.55 117.57 1jj2 n ASP 53 Ca 0.03 -3.72 -0.41 0.00 -0.01 0.00 0.00 54.79 50.69 1jj2 n ASP 53 Cb 0.17 -0.77 -0.04 0.00 -1.03 0.00 0.00 41.12 39.45 1jj2 n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1jj2 s VAL 54 N -3.72 4.94 -0.08 2.12 1.01 -1.26 -4.90 120.40 118.51 1jj2 s VAL 54 Ca 0.55 1.72 -0.03 0.00 0.00 0.00 0.00 61.98 64.21 1jj2 s VAL 54 Cb 0.46 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.72 1jj2 s VAL 54 CO 0.05 0.16 0.11 -1.58 0.00 0.00 0.00 175.10 173.83 1jj2 s GLN 55 N 1.24 -0.01 0.64 2.72 -0.44 -1.26 -3.61 119.66 118.94 1jj2 s GLN 55 Ca 0.43 0.38 -0.16 0.00 -2.50 0.00 0.00 55.36 53.51 1jj2 s GLN 55 Cb -0.19 -0.61 -0.01 0.00 -1.64 0.00 0.00 33.01 30.56 1jj2 s GLN 55 CO 0.20 -0.38 1.13 -2.14 0.50 0.00 0.00 175.29 174.60 1jj2 s PRO 56 N 2.22 2.85 0.38 1.67 0.02 -1.26 -5.07 135.00 135.81 1jj2 s PRO 56 Ca 0.04 1.49 0.28 0.00 0.02 0.00 0.00 61.00 62.82 1jj2 s PRO 56 Cb -0.13 -1.95 1.06 0.00 0.02 0.00 0.00 34.50 33.50 1jj2 s PRO 56 CO -0.05 -1.22 1.82 0.93 -0.33 0.00 0.00 177.00 178.14 1jj2 h GLU 57 N 0.26 0.00 -0.92 5.54 5.08 -2.00 -3.21 114.58 119.34 1jj2 h GLU 57 Ca -0.48 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.06 1jj2 h GLU 57 Cb 1.26 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.43 1jj2 h GLU 57 CO 0.54 0.00 0.59 0.93 -1.00 0.00 0.00 179.01 180.07 1jj2 h GLU 58 N 0.00 0.60 -0.47 2.33 3.07 -1.98 -0.81 114.58 117.33 1jj2 h GLU 58 Ca 0.00 -0.04 0.10 0.00 -0.50 0.00 0.00 59.36 58.92 1jj2 h GLU 58 Cb 0.51 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 1jj2 h GLU 58 CO 0.00 0.40 0.32 0.82 -1.40 0.00 0.00 179.01 179.15 1jj2 h ILE 59 N 0.62 0.86 0.00 3.13 2.04 -1.96 -3.18 117.51 119.01 1jj2 h ILE 59 Ca 0.48 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.27 1jj2 h ILE 59 Cb 0.90 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1jj2 h ILE 59 CO -0.23 0.04 -0.37 0.52 0.00 0.00 0.00 178.15 178.11 1jj2 n VAL 60 N -4.45 0.00 -0.29 1.67 0.31 -0.76 -4.78 118.33 110.03 1jj2 n VAL 60 Ca 0.07 -0.34 0.25 0.00 -0.01 0.00 0.00 64.34 64.31 1jj2 n VAL 60 Cb 0.40 0.86 0.46 0.00 -0.91 0.00 0.00 33.84 34.65 1jj2 n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1jj2 n MET 61 N -1.19 -0.06 0.20 5.55 2.81 -0.38 -0.73 117.12 123.32 1jj2 n MET 61 Ca 0.00 1.24 0.08 0.00 -1.81 0.00 0.00 57.70 57.21 1jj2 n MET 61 Cb 0.04 -2.17 0.29 0.00 -0.71 0.00 0.00 33.22 30.68 1jj2 n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1jj2 h HIS 62 N 0.00 0.00 -0.23 2.03 2.07 -1.86 -3.37 115.15 113.78 1jj2 h HIS 62 Ca 0.70 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 58.26 1jj2 h HIS 62 Cb 1.79 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.71 1jj2 h HIS 62 CO -0.10 0.26 -0.51 0.82 -3.07 0.00 0.00 177.93 175.33 1jj2 h ILE 63 N 0.00 0.00 0.00 6.12 1.08 -1.28 -1.68 117.51 121.75 1jj2 h ILE 63 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1jj2 h ILE 63 Cb 0.97 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1jj2 h ILE 63 CO 0.03 0.00 0.00 -2.65 -0.69 0.00 0.00 178.15 174.84 1jj2 n PRO 64 N -5.19 0.00 -0.27 2.37 -0.02 -1.26 -0.17 135.00 130.46 1jj2 n PRO 64 Ca -0.05 0.64 0.15 0.00 -2.02 0.00 0.00 63.50 62.22 1jj2 n PRO 64 Cb 0.33 -1.24 0.43 0.00 -0.02 0.00 0.00 33.50 33.01 1jj2 n PRO 64 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1jj2 h GLU 65 N 0.00 0.56 -0.25 -0.52 4.81 -1.82 -0.11 114.58 117.26 1jj2 h GLU 65 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1jj2 h GLU 65 Cb 0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1jj2 h GLU 65 CO 0.00 0.37 0.11 1.25 -0.73 0.00 0.00 179.01 180.01 1jj2 h LEU 66 N 0.58 0.33 -0.99 1.64 5.85 -0.87 -2.15 115.31 119.70 1jj2 h LEU 66 Ca 0.47 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 59.07 1jj2 h LEU 66 Cb 0.94 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 1jj2 h LEU 66 CO -0.22 0.39 0.65 0.00 -0.34 0.00 0.00 178.44 178.92 1jj2 h ALA 67 N 0.96 1.28 -0.11 1.25 0.00 0.11 -2.87 119.26 119.87 1jj2 h ALA 67 Ca 0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jj2 h ALA 67 Cb 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1jj2 h ALA 67 CO -0.01 0.60 0.06 -0.44 0.00 0.00 0.00 179.25 179.47 1jj2 h ASP 68 N 1.30 0.14 0.00 0.00 3.32 -0.72 -2.14 116.42 118.32 1jj2 h ASP 68 Ca 0.38 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1jj2 h ASP 68 Cb -0.09 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1jj2 h ASP 68 CO -0.10 0.18 0.00 -1.84 -1.72 0.00 0.00 179.24 175.77 1jj2 n GLU 69 N -4.96 0.80 0.00 3.56 0.28 -0.84 -2.45 120.64 117.04 1jj2 n GLU 69 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1jj2 n GLU 69 Cb 0.07 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 31.69 1jj2 n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1jj2 n LYS 70 N -0.75 1.73 0.00 3.44 4.76 -0.91 -4.99 118.16 121.43 1jj2 n LYS 70 Ca 0.10 -1.16 0.00 0.00 -2.87 0.00 0.00 58.31 54.38 1jj2 n LYS 70 Cb 0.04 -0.97 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 1jj2 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jj2 n GLY 71 N -0.33 1.70 3.73 0.72 0.00 -0.86 -4.96 105.19 105.20 1jj2 n GLY 71 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1jj2 n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jj2 s VAL 72 N -1.06 2.32 0.33 1.61 1.01 -0.91 -4.96 120.40 118.74 1jj2 s VAL 72 Ca 0.00 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 1jj2 s VAL 72 Cb 0.00 -3.16 -0.10 0.00 0.00 0.00 0.00 36.38 33.12 1jj2 s VAL 72 CO 0.00 0.03 0.85 -2.84 0.00 0.00 0.00 175.10 173.14 1jj2 s PRO 73 N 0.30 4.28 0.01 2.72 0.02 -1.26 -4.35 135.00 136.71 1jj2 s PRO 73 Ca 0.67 1.02 -0.02 0.00 0.02 0.00 0.00 61.00 62.69 1jj2 s PRO 73 Cb -0.46 -2.54 -0.01 0.00 0.02 0.00 0.00 34.50 31.51 1jj2 s PRO 73 CO 0.39 0.18 0.02 -0.59 -0.33 0.00 0.00 177.00 176.67 1jj2 s PHE 74 N -1.85 0.15 0.02 6.54 -0.12 -1.26 -1.36 117.98 120.09 1jj2 s PHE 74 Ca 0.53 -0.31 0.04 0.00 -0.05 0.00 0.00 56.93 57.14 1jj2 s PHE 74 Cb -0.13 -0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 1jj2 s PHE 74 CO 0.18 -0.17 -0.11 -1.50 -0.05 0.00 0.00 175.22 173.57 1jj2 s ILE 75 N -1.10 0.89 0.11 -4.49 2.07 -0.00 -4.95 121.20 113.71 1jj2 s ILE 75 Ca -0.12 -0.74 -0.15 0.00 -1.41 0.00 0.00 60.65 58.22 1jj2 s ILE 75 Cb -0.07 -0.79 -0.07 0.00 0.13 0.00 0.00 42.46 41.66 1jj2 s ILE 75 CO -0.00 0.05 0.53 -0.36 -1.91 0.00 0.00 174.94 173.25 1jj2 s PHE 76 N -0.63 3.67 -0.02 3.50 2.99 -1.26 -1.43 117.98 124.80 1jj2 s PHE 76 Ca 0.01 1.08 0.06 0.00 0.00 0.00 0.00 56.93 58.08 1jj2 s PHE 76 Cb -0.06 -2.37 -0.01 0.00 0.00 0.00 0.00 43.02 40.57 1jj2 s PHE 76 CO 0.00 0.50 -0.19 0.08 -0.00 0.00 0.00 175.22 175.61 1jj2 s VAL 77 N -1.33 1.54 -0.04 -0.44 1.01 -0.45 -4.85 120.40 115.83 1jj2 s VAL 77 Ca 0.34 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 1jj2 s VAL 77 Cb -0.16 -1.28 -0.19 0.00 0.00 0.00 0.00 36.38 34.75 1jj2 s VAL 77 CO 0.18 0.44 1.09 -0.33 0.00 0.00 0.00 175.10 176.48 1jj2 h GLU 78 N 5.73 -0.11 -5.86 2.72 4.39 -1.94 0.45 114.58 119.95 1jj2 h GLU 78 Ca -0.37 0.01 -0.57 0.00 0.34 0.00 0.00 59.36 58.76 1jj2 h GLU 78 Cb 1.15 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.75 1jj2 h GLU 78 CO 0.48 0.38 -0.07 -0.65 -1.16 0.00 0.00 179.01 177.99 1jj2 s GLN 79 N -3.85 4.34 0.18 2.33 -1.52 -1.26 -3.24 119.66 116.64 1jj2 s GLN 79 Ca -0.15 0.58 -0.04 0.00 -1.95 0.00 0.00 55.36 53.80 1jj2 s GLN 79 Cb 0.01 -3.42 0.09 0.00 -0.22 0.00 0.00 33.01 29.47 1jj2 s GLN 79 CO 0.60 0.19 1.50 0.37 -0.25 0.00 0.00 175.29 177.70 1jj2 h GLN 80 N 6.50 0.62 0.00 2.91 4.15 -1.86 -3.00 115.11 124.42 1jj2 h GLN 80 Ca -0.42 -0.38 -0.02 0.00 0.77 0.00 0.00 58.65 58.60 1jj2 h GLN 80 Cb 1.19 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.91 1jj2 h GLN 80 CO 0.74 0.99 -0.11 -0.44 -1.93 0.00 0.00 178.83 178.08 1jj2 h ASP 81 N 0.49 0.00 -0.05 -0.69 3.32 -1.92 -1.70 116.42 115.86 1jj2 h ASP 81 Ca 0.02 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.87 1jj2 h ASP 81 Cb 1.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.63 1jj2 h ASP 81 CO 0.10 0.11 -0.73 0.44 -1.72 0.00 0.00 179.24 177.44 1jj2 h ASP 82 N 0.00 0.74 -0.71 6.45 3.32 -1.91 -1.64 116.42 122.67 1jj2 h ASP 82 Ca -0.00 -0.70 -0.04 0.00 0.02 0.00 0.00 57.03 56.31 1jj2 h ASP 82 Cb 0.88 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1jj2 h ASP 82 CO 0.01 1.33 0.29 0.25 -1.72 0.00 0.00 179.24 179.40 1jj2 h LEU 83 N 0.21 0.98 -0.50 1.55 5.85 -1.50 0.14 115.31 122.04 1jj2 h LEU 83 Ca -0.08 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 1jj2 h LEU 83 Cb 1.40 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1jj2 h LEU 83 CO 0.15 0.88 0.00 1.23 -0.34 0.00 0.00 178.44 180.36 1jj2 h GLY 84 N 1.02 0.95 0.87 3.75 0.00 -1.48 0.11 103.07 108.29 1jj2 h GLY 84 Ca 0.24 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1jj2 h GLY 84 CO -0.02 0.64 -0.01 0.84 0.00 0.00 0.00 176.54 177.99 1jj2 h HIS 85 N 0.74 0.54 -0.85 5.60 -0.00 -1.02 0.66 115.15 120.82 1jj2 h HIS 85 Ca 0.14 -0.10 0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1jj2 h HIS 85 Cb 0.51 -0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 27.74 1jj2 h HIS 85 CO 0.04 0.65 0.56 0.00 -0.00 0.00 0.00 177.93 179.18 1jj2 h ALA 86 N 0.81 1.46 0.00 5.26 0.00 -0.62 0.94 119.26 127.11 1jj2 h ALA 86 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jj2 h ALA 86 Cb 0.44 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jj2 h ALA 86 CO 0.02 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1jj2 n ALA 87 N -2.41 1.93 0.00 0.00 0.00 0.02 -3.90 120.51 116.15 1jj2 n ALA 87 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1jj2 n ALA 87 Cb 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1jj2 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jj2 n GLY 88 N 0.61 1.01 3.90 0.00 0.00 0.32 -4.94 105.19 106.09 1jj2 n GLY 88 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1jj2 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jj2 s LEU 89 N 0.00 4.13 0.34 0.99 1.43 0.23 -4.97 118.68 120.83 1jj2 s LEU 89 Ca 0.00 0.67 0.23 0.00 -1.03 0.00 0.00 54.13 54.00 1jj2 s LEU 89 Cb 0.00 -3.46 0.25 0.00 0.03 0.00 0.00 46.19 43.01 1jj2 s LEU 89 CO 0.00 -0.12 1.42 -0.08 0.23 0.00 0.00 176.35 177.80 1jj2 h GLU 90 N 2.00 0.00 0.00 1.70 4.81 -1.94 -3.31 114.58 117.84 1jj2 h GLU 90 Ca -0.47 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.23 1jj2 h GLU 90 Cb 1.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1jj2 h GLU 90 CO 0.68 0.00 -0.20 0.28 -0.73 0.00 0.00 179.01 179.04 1jj2 n VAL 91 N -2.88 0.00 -2.32 0.32 0.31 -1.26 -4.99 118.33 107.51 1jj2 n VAL 91 Ca 0.03 -2.02 -0.27 0.00 -0.01 0.00 0.00 64.34 62.07 1jj2 n VAL 91 Cb 0.53 -0.21 0.16 0.00 -0.91 0.00 0.00 33.84 33.41 1jj2 n VAL 91 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1jj2 s GLY 92 N -4.27 1.78 -0.19 2.92 0.00 -1.26 -4.12 107.32 102.18 1jj2 s GLY 92 Ca 0.40 -1.62 -0.08 0.00 0.00 0.00 0.00 44.72 43.41 1jj2 s GLY 92 CO 0.25 -0.91 0.42 -0.45 0.00 0.00 0.00 173.10 172.42 1jj2 s SER 93 N -4.87 -0.40 0.30 1.64 0.15 -0.67 -4.71 113.70 105.13 1jj2 s SER 93 Ca 0.72 0.96 0.13 0.00 0.70 0.00 0.00 55.95 58.46 1jj2 s SER 93 Cb -0.03 1.07 0.44 0.00 -1.71 0.00 0.00 66.02 65.78 1jj2 s SER 93 CO 0.49 -0.21 1.64 0.00 1.20 0.00 0.00 173.24 176.35 1jj2 h ALA 94 N 7.63 0.95 -2.21 5.45 0.00 -1.95 -3.39 119.26 125.74 1jj2 h ALA 94 Ca -0.26 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.07 1jj2 h ALA 94 Cb 1.15 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.66 1jj2 h ALA 94 CO 0.21 0.68 -0.00 0.00 0.00 0.00 0.00 179.25 180.14 1jj2 s ALA 95 N -3.56 -1.36 0.03 0.00 0.00 -1.26 -1.27 121.76 114.34 1jj2 s ALA 95 Ca -0.01 0.91 -0.05 0.00 0.00 0.00 0.00 51.96 52.81 1jj2 s ALA 95 Cb 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 1jj2 s ALA 95 CO 0.74 -0.32 0.08 0.00 0.00 0.00 0.00 175.76 176.25 1jj2 s ALA 96 N -1.25 -0.03 -0.07 0.00 0.00 0.39 -1.83 121.76 118.97 1jj2 s ALA 96 Ca -0.12 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 1jj2 s ALA 96 Cb -0.02 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.35 1jj2 s ALA 96 CO 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 175.76 175.53 1jj2 s ALA 97 N -2.47 0.70 -0.68 0.00 0.00 0.04 0.11 121.76 119.47 1jj2 s ALA 97 Ca -0.06 -0.12 -0.27 0.00 0.00 0.00 0.00 51.96 51.50 1jj2 s ALA 97 Cb -0.02 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1jj2 s ALA 97 CO -0.04 -0.39 1.33 0.08 0.00 0.00 0.00 175.76 176.75 1jj2 s VAL 98 N 1.79 3.75 -0.99 0.00 1.01 0.79 0.59 120.40 127.33 1jj2 s VAL 98 Ca 0.02 0.51 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 1jj2 s VAL 98 Cb -0.13 -4.74 0.15 0.00 0.00 0.00 0.00 36.38 31.67 1jj2 s VAL 98 CO -0.05 -1.60 1.17 0.28 0.00 0.00 0.00 175.10 174.91 1jj2 s THR 99 N 5.95 4.91 -0.04 3.92 -1.32 0.10 -2.60 115.64 126.56 1jj2 s THR 99 Ca 0.41 -1.96 -0.02 0.00 -1.21 0.00 0.00 61.69 58.92 1jj2 s THR 99 Cb -0.09 -4.78 0.01 0.00 -1.51 0.00 0.00 72.50 66.13 1jj2 s THR 99 CO 0.19 -1.49 0.04 0.47 -2.21 0.00 0.00 174.62 171.62 1jj2 n ASP 100 N 6.02 -1.98 -3.22 8.08 9.92 -1.25 -3.50 116.55 130.61 1jj2 n ASP 100 Ca 0.26 0.26 -0.13 0.00 -0.53 0.00 0.00 54.79 54.66 1jj2 n ASP 100 Cb 0.47 -1.83 0.12 0.00 -0.64 0.00 0.00 41.12 39.25 1jj2 n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jj2 n ALA 101 N 0.29 -2.18 -3.49 2.24 0.00 -1.26 -1.26 120.51 114.84 1jj2 n ALA 101 Ca -0.07 -0.63 -0.00 0.00 0.00 0.00 0.00 53.44 52.74 1jj2 n ALA 101 Cb 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 1jj2 n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jj2 s GLY 102 N -2.03 -0.78 -1.18 0.00 0.00 -1.26 -4.09 107.32 97.99 1jj2 s GLY 102 Ca 0.28 2.11 -0.05 0.00 0.00 0.00 0.00 44.72 47.06 1jj2 s GLY 102 CO 0.23 3.11 0.27 0.00 0.00 0.00 0.00 173.10 176.71 1jj2 n ALA 103 N 5.44 -0.93 -1.56 3.20 0.00 -1.26 -4.36 120.51 121.03 1jj2 n ALA 103 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1jj2 n ALA 103 Cb 0.50 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1jj2 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jj2 n ALA 104 N -2.92 0.00 0.32 0.00 0.00 -1.26 -4.90 120.51 111.75 1jj2 n ALA 104 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1jj2 n ALA 104 Cb 0.58 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.71 1jj2 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jj2 h ALA 105 N 0.00 1.39 -0.06 0.00 0.00 -1.88 0.69 119.26 119.39 1jj2 h ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jj2 h ALA 105 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jj2 h ALA 105 CO 0.00 -0.39 0.00 2.41 0.00 0.00 0.00 179.25 181.27 1jj2 n THR 106 N -2.75 0.00 -0.34 0.00 -1.04 -1.26 -2.29 114.28 106.60 1jj2 n THR 106 Ca -0.02 0.49 0.19 0.00 -2.04 0.00 0.00 64.05 62.67 1jj2 n THR 106 Cb 0.44 -1.47 0.41 0.00 -1.82 0.00 0.00 70.33 67.88 1jj2 n THR 106 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1jj2 h VAL 107 N 0.00 0.47 0.53 12.58 2.07 -1.80 -1.19 116.25 128.91 1jj2 h VAL 107 Ca 0.00 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1jj2 h VAL 107 Cb 0.00 -0.08 0.01 0.00 -1.52 0.00 0.00 31.29 29.70 1jj2 h VAL 107 CO 0.00 0.09 -0.26 0.25 0.02 0.00 0.00 177.57 177.67 1jj2 h LEU 108 N 0.50 -0.61 -1.57 2.57 5.85 0.23 -0.81 115.31 121.47 1jj2 h LEU 108 Ca 0.66 0.02 0.39 0.00 0.84 0.00 0.00 57.88 59.79 1jj2 h LEU 108 Cb 1.34 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.43 1jj2 h LEU 108 CO -0.52 -0.44 0.86 -0.08 -0.34 0.00 0.00 178.44 177.93 1jj2 h GLU 109 N -0.72 0.14 0.01 1.25 4.81 -0.87 0.58 114.58 119.79 1jj2 h GLU 109 Ca -0.07 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 58.95 1jj2 h GLU 109 Cb 0.55 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1jj2 h GLU 109 CO 0.12 0.09 -0.93 0.93 -0.73 0.00 0.00 179.01 178.50 1jj2 h GLU 110 N 0.15 0.08 -0.36 1.92 5.08 -0.98 -2.70 114.58 117.76 1jj2 h GLU 110 Ca 0.72 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.87 1jj2 h GLU 110 Cb 2.35 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.62 1jj2 h GLU 110 CO -0.26 0.95 -0.20 0.82 -1.00 0.00 0.00 179.01 179.31 1jj2 h ILE 111 N 0.04 1.27 -0.36 3.13 2.04 0.16 0.30 117.51 124.09 1jj2 h ILE 111 Ca -0.03 -1.28 -0.05 0.00 1.00 0.00 0.00 64.86 64.50 1jj2 h ILE 111 Cb 1.60 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1jj2 h ILE 111 CO 0.13 0.42 0.00 0.00 0.00 0.00 0.00 178.15 178.70 1jj2 h ALA 112 N 1.16 1.34 -0.09 1.87 0.00 -1.18 -1.73 119.26 120.63 1jj2 h ALA 112 Ca 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1jj2 h ALA 112 Cb 0.68 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1jj2 h ALA 112 CO 0.05 0.46 -0.17 -0.44 0.00 0.00 0.00 179.25 179.14 1jj2 h ASP 113 N 0.53 0.31 -0.92 0.00 3.32 -1.02 -1.63 116.42 117.02 1jj2 h ASP 113 Ca 0.11 -0.56 0.07 0.00 0.02 0.00 0.00 57.03 56.67 1jj2 h ASP 113 Cb 0.34 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.74 1jj2 h ASP 113 CO 0.01 0.81 0.60 0.11 -1.72 0.00 0.00 179.24 179.05 1jj2 h LYS 114 N -0.18 1.01 -0.09 3.56 1.57 -0.70 -1.22 116.57 120.52 1jj2 h LYS 114 Ca 0.00 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1jj2 h LYS 114 Cb 0.75 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1jj2 h LYS 114 CO 0.04 0.67 -0.19 0.28 -0.57 0.00 0.00 179.45 179.68 1jj2 h VAL 115 N 1.04 1.40 -0.67 0.50 2.07 -1.31 0.58 116.25 119.86 1jj2 h VAL 115 Ca 0.40 -1.49 0.13 0.00 0.82 0.00 0.00 66.70 66.56 1jj2 h VAL 115 Cb 0.21 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 1jj2 h VAL 115 CO -0.15 0.43 0.45 -0.33 0.02 0.00 0.00 177.57 177.99 1jj2 h GLU 116 N -0.17 0.33 0.00 1.57 4.39 -0.89 0.43 114.58 120.24 1jj2 h GLU 116 Ca 0.00 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.50 1jj2 h GLU 116 Cb 0.78 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 1jj2 h GLU 116 CO 0.04 0.22 -0.88 0.93 -1.16 0.00 0.00 179.01 178.16 1jj2 h GLU 117 N 0.34 0.00 0.00 2.33 5.08 -1.06 -2.71 114.58 118.56 1jj2 h GLU 117 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1jj2 h GLU 117 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1jj2 h GLU 117 CO -0.09 0.88 0.00 -0.11 -1.00 0.00 0.00 179.01 178.69 1jj2 n LEU 118 N -3.39 0.00 0.00 1.33 7.94 0.15 -5.09 117.00 117.93 1jj2 n LEU 118 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1jj2 n LEU 118 Cb 0.87 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.82 1jj2 n LEU 118 CO 0.45 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.59