#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbi s ALA 2 N 0.00 0.57 1.21 1.79 0.00 -1.26 -5.17 121.76 118.91 1jbi s ALA 2 Ca 0.00 -1.03 -0.18 0.00 0.00 0.00 0.00 51.96 50.75 1jbi s ALA 2 Cb 0.00 0.17 0.26 0.00 0.00 0.00 0.00 23.12 23.55 1jbi s ALA 2 CO 0.00 -0.22 0.94 -0.35 0.00 0.00 0.00 175.76 176.13 1jbi n PRO 3 N 0.65 -2.83 -4.06 0.00 -0.04 -1.26 -4.90 135.00 122.56 1jbi n PRO 3 Ca -0.17 -1.50 -0.35 0.00 -0.04 0.00 0.00 63.50 61.44 1jbi n PRO 3 Cb 0.58 -1.40 -0.12 0.00 -0.04 0.00 0.00 33.50 32.52 1jbi n PRO 3 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jbi s ILE 4 N -2.70 4.00 -0.67 0.52 1.09 0.14 -4.97 121.20 118.62 1jbi s ILE 4 Ca 0.61 -0.30 -0.25 0.00 -1.10 0.00 0.00 60.65 59.61 1jbi s ILE 4 Cb -0.06 -2.81 0.04 0.00 -1.06 0.00 0.00 42.46 38.57 1jbi s ILE 4 CO 0.47 0.43 1.13 0.00 -0.10 0.00 0.00 174.94 176.86 1jbi s ALA 5 N 0.99 2.95 0.57 9.38 0.00 -1.26 -1.53 121.76 132.85 1jbi s ALA 5 Ca 0.02 -1.44 0.07 0.00 0.00 0.00 0.00 51.96 50.61 1jbi s ALA 5 Cb -0.14 -4.04 0.10 0.00 0.00 0.00 0.00 23.12 19.03 1jbi s ALA 5 CO 0.02 -2.94 0.78 0.44 0.00 0.00 0.00 175.76 174.05 1jbi n ILE 6 N 6.24 0.00 -1.21 0.00 -6.64 -0.94 -4.97 119.36 111.84 1jbi n ILE 6 Ca 0.01 -1.72 0.06 0.00 -1.77 0.00 0.00 62.75 59.33 1jbi n ILE 6 Cb 0.48 -0.63 0.20 0.00 -1.44 0.00 0.00 39.64 38.25 1jbi n ILE 6 CO 0.00 0.00 0.00 1.07 -1.77 0.00 0.00 176.55 175.85 1jbi n THR 7 N -2.29 2.20 -0.69 7.28 5.66 -1.26 -4.31 114.28 120.87 1jbi n THR 7 Ca 0.15 -2.40 -0.03 0.00 -3.05 0.00 0.00 64.05 58.72 1jbi n THR 7 Cb 0.55 -0.26 -0.01 0.00 -1.55 0.00 0.00 70.33 69.06 1jbi n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jbi n PHE 9 N -1.12 0.00 -1.62 0.00 7.35 -1.26 -4.30 117.46 116.51 1jbi n PHE 9 Ca -0.03 0.00 -0.48 0.00 -0.76 0.00 0.00 57.45 56.18 1jbi n PHE 9 Cb 0.26 -0.07 -0.05 0.00 0.35 0.00 0.00 39.48 39.96 1jbi n PHE 9 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1jbi n THR 10 N -1.48 0.46 -2.10 -2.13 -1.04 -1.26 -4.80 114.28 101.92 1jbi n THR 10 Ca -0.00 -0.20 -0.29 0.00 -2.04 0.00 0.00 64.05 61.52 1jbi n THR 10 Cb 0.11 -1.93 0.04 0.00 -1.82 0.00 0.00 70.33 66.72 1jbi n THR 10 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1jbi s ARG 11 N 4.92 2.92 0.00 -2.82 0.52 -1.26 -1.22 118.95 122.01 1jbi s ARG 11 Ca 0.98 0.28 0.06 0.00 -0.52 0.00 0.00 55.73 56.53 1jbi s ARG 11 Cb -0.68 -2.13 0.36 0.00 0.52 0.00 0.00 34.95 33.02 1jbi s ARG 11 CO 0.49 -0.87 0.75 0.41 0.02 0.00 0.00 175.30 176.10 1jbi n GLY 12 N -2.81 -0.32 0.26 -3.53 0.00 -0.06 -2.13 105.19 96.59 1jbi n GLY 12 Ca 0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1jbi n GLY 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jbi h LEU 13 N 0.00 0.95 0.01 0.99 3.38 -1.42 -3.35 115.31 115.88 1jbi h LEU 13 Ca 0.00 -0.43 -0.19 0.00 0.09 0.00 0.00 57.88 57.35 1jbi h LEU 13 Cb 0.00 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 40.50 1jbi h LEU 13 CO 0.00 1.18 -0.74 0.44 0.09 0.00 0.00 178.44 179.41 1jbi h ASP 14 N 0.74 0.63 -3.63 -0.43 3.32 -1.75 -3.42 116.42 111.88 1jbi h ASP 14 Ca 0.08 -0.77 -0.71 0.00 0.02 0.00 0.00 57.03 55.65 1jbi h ASP 14 Cb 0.85 -0.19 -0.32 0.00 0.22 0.00 0.00 39.33 39.88 1jbi h ASP 14 CO 0.07 1.32 -0.39 -0.63 -1.72 0.00 0.00 179.24 177.89 1jbi s ILE 15 N -3.19 3.91 -0.42 0.35 1.01 -1.26 -4.89 121.20 116.71 1jbi s ILE 15 Ca -0.12 -2.26 0.09 0.00 0.00 0.00 0.00 60.65 58.36 1jbi s ILE 15 Cb 0.04 -3.58 0.41 0.00 0.01 0.00 0.00 42.46 39.34 1jbi s ILE 15 CO 0.85 -0.80 0.99 0.54 0.00 0.00 0.00 174.94 176.52 1jbi n ARG 16 N 4.33 2.48 -2.47 2.79 1.74 -1.26 -4.82 116.66 119.46 1jbi n ARG 16 Ca -0.00 -4.10 -0.23 0.00 -0.77 0.00 0.00 57.85 52.75 1jbi n ARG 16 Cb 0.41 -1.91 0.05 0.00 -1.02 0.00 0.00 32.46 29.99 1jbi n ARG 16 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1jbi s LYS 17 N -3.28 2.40 0.19 5.56 3.01 -1.26 -5.01 119.74 121.35 1jbi s LYS 17 Ca 0.41 -0.58 -0.12 0.00 -1.01 0.00 0.00 55.97 54.68 1jbi s LYS 17 Cb 0.39 -2.36 0.15 0.00 -1.01 0.00 0.00 37.83 34.99 1jbi s LYS 17 CO -0.10 -0.92 1.84 1.49 0.51 0.00 0.00 175.35 178.16 1jbi h GLU 18 N -0.20 0.75 -2.74 1.68 4.81 -1.96 -3.35 114.58 113.57 1jbi h GLU 18 Ca -0.43 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.65 1jbi h GLU 18 Cb 1.30 -0.17 -0.21 0.00 0.63 0.00 0.00 28.75 30.31 1jbi h GLU 18 CO 0.55 0.49 -0.17 -1.59 -0.73 0.00 0.00 179.01 177.57 1jbi s LYS 19 N -6.13 0.68 -0.04 1.92 -2.85 -1.26 -0.65 119.74 111.41 1jbi s LYS 19 Ca -0.13 0.15 -0.02 0.00 -1.00 0.00 0.00 55.97 54.98 1jbi s LYS 19 Cb 0.14 0.32 0.03 0.00 -2.06 0.00 0.00 37.83 36.26 1jbi s LYS 19 CO 0.76 -0.17 0.09 0.00 0.10 0.00 0.00 175.35 176.13 1jbi s ALA 20 N -0.78 -0.13 -0.22 0.59 0.00 -0.06 -4.98 121.76 116.18 1jbi s ALA 20 Ca -0.09 0.46 -0.17 0.00 0.00 0.00 0.00 51.96 52.17 1jbi s ALA 20 Cb -0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1jbi s ALA 20 CO 0.04 -0.12 0.44 -0.51 0.00 0.00 0.00 175.76 175.61 1jbi s ASP 21 N 0.91 6.43 0.02 0.00 1.01 -1.26 -0.27 116.67 123.52 1jbi s ASP 21 Ca -0.07 0.52 0.04 0.00 0.71 0.00 0.00 52.55 53.74 1jbi s ASP 21 Cb -0.10 -2.25 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 1jbi s ASP 21 CO -0.04 -0.15 -0.11 0.68 0.21 0.00 0.00 175.17 175.76 1jbi s VAL 22 N 1.68 0.86 -0.21 -1.27 -7.23 -0.05 -0.68 120.40 113.50 1jbi s VAL 22 Ca 0.20 -0.77 -0.06 0.00 -1.81 0.00 0.00 61.98 59.53 1jbi s VAL 22 Cb -0.15 -0.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 1jbi s VAL 22 CO 0.09 0.01 0.04 -0.76 -0.31 0.00 0.00 175.10 174.17 1jbi s LEU 23 N -0.86 3.49 -0.45 1.32 2.01 -0.58 -0.42 118.68 123.18 1jbi s LEU 23 Ca 0.00 -0.11 -0.10 0.00 0.01 0.00 0.00 54.13 53.93 1jbi s LEU 23 Cb -0.06 -1.90 0.10 0.00 0.01 0.00 0.00 46.19 44.33 1jbi s LEU 23 CO 0.01 0.07 0.32 0.00 1.01 0.00 0.00 176.35 177.76 1jbi s PRO 25 N 1.44 3.22 0.10 0.00 0.04 -1.26 -0.53 135.00 138.00 1jbi s PRO 25 Ca 0.04 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.65 1jbi s PRO 25 Cb -0.25 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1jbi s PRO 25 CO 0.02 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1jbi n GLY 26 N -1.99 -2.01 0.24 0.56 0.00 -1.26 -4.48 105.19 96.26 1jbi n GLY 26 Ca -0.01 -1.42 0.15 0.00 0.00 0.00 0.00 46.02 44.74 1jbi n GLY 26 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jbi h GLY 27 N -0.29 0.00 -6.61 -0.02 0.00 -1.94 -3.24 103.07 90.97 1jbi h GLY 27 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.89 1jbi h GLY 27 CO 0.01 0.00 -1.16 0.00 0.00 0.00 0.00 176.54 175.39 1jbi n PRO 29 N -1.12 -1.89 -0.88 0.00 -0.04 -1.26 -4.71 135.00 125.10 1jbi n PRO 29 Ca -0.17 -0.70 -0.29 0.00 -0.04 0.00 0.00 63.50 62.29 1jbi n PRO 29 Cb 0.69 -0.66 -0.03 0.00 -0.04 0.00 0.00 33.50 33.46 1jbi n PRO 29 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jbi n LEU 30 N 0.00 4.58 0.00 1.53 4.77 -1.26 -4.59 117.00 122.03 1jbi n LEU 30 Ca 0.06 -2.88 -0.00 0.00 -0.03 0.00 0.00 56.01 53.16 1jbi n LEU 30 Cb 0.24 -1.10 -0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1jbi n LEU 30 CO 0.16 0.25 0.07 -0.08 -1.33 0.00 0.00 177.39 176.46 1jbi h GLU 31 N 6.90 -0.01 -2.26 3.23 4.81 -2.01 -3.45 114.58 121.79 1jbi h GLU 31 Ca 0.46 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 59.21 1jbi h GLU 31 Cb 0.34 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 29.37 1jbi h GLU 31 CO 1.63 -0.01 -0.79 -1.21 -0.73 0.00 0.00 179.01 177.91 1jbi s GLU 32 N -1.31 0.63 -0.23 1.92 2.02 -1.26 -5.10 118.70 115.37 1jbi s GLU 32 Ca -0.00 -1.20 0.02 0.00 0.02 0.00 0.00 54.97 53.81 1jbi s GLU 32 Cb 0.00 -1.04 0.05 0.00 0.10 0.00 0.00 34.13 33.24 1jbi s GLU 32 CO 0.00 -1.22 -0.13 -0.06 0.02 0.00 0.00 175.26 173.87 1jbi s PHE 33 N 1.13 3.02 -0.20 1.61 0.08 -1.26 -4.81 117.98 117.55 1jbi s PHE 33 Ca 0.19 -2.06 0.00 0.00 0.12 0.00 0.00 56.93 55.18 1jbi s PHE 33 Cb -0.17 -1.88 0.05 0.00 -0.57 0.00 0.00 43.02 40.45 1jbi s PHE 33 CO -0.02 -0.84 -0.06 0.45 -0.10 0.00 0.00 175.22 174.64 1jbi s SER 34 N 1.19 3.33 0.15 1.36 0.15 -1.26 -4.73 113.70 113.89 1jbi s SER 34 Ca -0.05 -0.90 0.08 0.00 0.70 0.00 0.00 55.95 55.78 1jbi s SER 34 Cb -0.18 -1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.01 1jbi s SER 34 CO -0.07 -0.19 -0.09 -0.69 1.20 0.00 0.00 173.24 173.39 1jbi s VAL 35 N 1.50 3.31 -0.23 4.45 1.01 -0.91 -4.28 120.40 125.25 1jbi s VAL 35 Ca -0.02 -1.47 -0.03 0.00 0.00 0.00 0.00 61.98 60.46 1jbi s VAL 35 Cb -0.17 -2.60 0.08 0.00 0.00 0.00 0.00 36.38 33.69 1jbi s VAL 35 CO -0.07 -0.01 0.08 -0.31 0.00 0.00 0.00 175.10 174.79 1jbi s TYR 36 N -1.48 0.73 0.00 5.22 1.51 -1.26 -1.65 117.35 120.42 1jbi s TYR 36 Ca 0.23 -0.85 0.00 0.00 -1.01 0.00 0.00 57.07 55.44 1jbi s TYR 36 Cb -0.10 -1.01 0.00 0.00 -0.11 0.00 0.00 41.96 40.74 1jbi s TYR 36 CO 0.15 -0.68 0.00 0.41 -1.11 0.00 0.00 175.55 174.32 1jbi n GLY 37 N 5.13 -1.18 3.84 0.71 0.00 0.58 -0.53 105.19 113.74 1jbi n GLY 37 Ca -0.07 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 1jbi n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jbi s ASN 38 N -1.34 6.66 0.00 1.61 4.22 -1.26 -4.19 114.94 120.64 1jbi s ASN 38 Ca 0.00 0.78 0.00 0.00 -2.14 0.00 0.00 52.86 51.50 1jbi s ASN 38 Cb 0.00 -2.19 0.00 0.00 1.28 0.00 0.00 41.25 40.34 1jbi s ASN 38 CO 0.00 0.33 0.00 -0.38 -2.04 0.00 0.00 177.10 175.01 1jbi n ILE 39 N 2.03 0.00 -2.59 0.54 2.08 -1.26 -4.62 119.36 115.54 1jbi n ILE 39 Ca -0.15 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.74 1jbi n ILE 39 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.39 1jbi n ILE 39 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1jbi s VAL 40 N 0.00 3.92 -0.37 1.39 1.01 -1.26 -3.91 120.40 121.19 1jbi s VAL 40 Ca 0.00 -0.45 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 1jbi s VAL 40 Cb 0.00 -4.99 0.01 0.00 0.00 0.00 0.00 36.38 31.40 1jbi s VAL 40 CO 0.00 -1.87 0.85 -0.31 0.00 0.00 0.00 175.10 173.77 1jbi s TYR 41 N 5.03 3.09 0.46 5.22 2.02 0.53 -4.11 117.35 129.60 1jbi s TYR 41 Ca 0.41 0.65 -0.24 0.00 -0.37 0.00 0.00 57.07 57.52 1jbi s TYR 41 Cb -0.03 -3.53 -0.07 0.00 -0.40 0.00 0.00 41.96 37.92 1jbi s TYR 41 CO -0.02 -0.79 1.29 0.00 -1.57 0.00 0.00 175.55 174.46 1jbi s ALA 42 N 3.29 3.06 0.51 3.71 0.00 0.30 -0.80 121.76 131.84 1jbi s ALA 42 Ca 0.35 1.20 0.35 0.00 0.00 0.00 0.00 51.96 53.85 1jbi s ALA 42 Cb -0.13 -3.49 1.50 0.00 0.00 0.00 0.00 23.12 21.00 1jbi s ALA 42 CO 0.18 -0.96 1.76 1.03 0.00 0.00 0.00 175.76 177.77 1jbi h SER 43 N 2.14 0.09 0.37 0.00 0.87 -1.41 -0.82 113.55 114.79 1jbi h SER 43 Ca -0.50 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1jbi h SER 43 Cb 1.26 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1jbi h SER 43 CO 0.60 -0.00 -0.01 1.62 -0.53 0.00 0.00 176.83 178.51 1jbi h VAL 44 N 0.07 0.06 -3.96 2.23 3.04 -1.86 -0.58 116.25 115.25 1jbi h VAL 44 Ca 0.64 -0.21 -0.53 0.00 -1.01 0.00 0.00 66.70 65.59 1jbi h VAL 44 Cb 2.36 1.20 0.09 0.00 -2.01 0.00 0.00 31.29 32.93 1jbi h VAL 44 CO -0.09 0.01 0.61 -0.44 -1.01 0.00 0.00 177.57 176.66 1jbi s SER 45 N -5.43 6.22 0.58 3.17 0.01 -0.31 -4.64 113.70 113.29 1jbi s SER 45 Ca -0.03 2.67 -0.20 0.00 1.31 0.00 0.00 55.95 59.70 1jbi s SER 45 Cb 0.12 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1jbi s SER 45 CO 0.47 -0.91 1.27 -0.55 0.41 0.00 0.00 173.24 173.93 1jbi s SER 46 N -0.75 5.14 0.21 2.44 0.15 -1.26 -0.89 113.70 118.74 1jbi s SER 46 Ca 0.58 2.56 -0.08 0.00 0.70 0.00 0.00 55.95 59.71 1jbi s SER 46 Cb -0.38 -2.62 0.14 0.00 -1.71 0.00 0.00 66.02 61.45 1jbi s SER 46 CO 0.49 -1.64 1.75 0.40 1.20 0.00 0.00 173.24 175.44 1jbi h ILE 47 N 1.05 1.26 0.35 6.45 2.04 -1.46 -0.01 117.51 127.20 1jbi h ILE 47 Ca -0.51 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 1jbi h ILE 47 Cb 1.30 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1jbi h ILE 47 CO 0.56 0.36 -0.17 0.00 0.00 0.00 0.00 178.15 178.89 1jbi h GLY 49 N -0.53 0.10 0.94 0.00 0.00 -1.81 0.16 103.07 101.93 1jbi h GLY 49 Ca -0.05 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1jbi h GLY 49 CO 0.08 -0.16 -0.15 0.00 0.00 0.00 0.00 176.54 176.31 1jbi h ALA 50 N 1.15 -0.41 -0.09 3.60 0.00 -1.01 -1.64 119.26 120.86 1jbi h ALA 50 Ca 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jbi h ALA 50 Cb 0.34 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jbi h ALA 50 CO -0.37 -0.70 0.05 0.00 0.00 0.00 0.00 179.25 178.23 1jbi h ALA 51 N 0.20 0.12 -0.54 0.00 0.00 -0.39 0.75 119.26 119.41 1jbi h ALA 51 Ca -0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1jbi h ALA 51 Cb 0.36 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1jbi h ALA 51 CO 0.07 -0.33 0.02 0.28 0.00 0.00 0.00 179.25 179.29 1jbi h VAL 52 N 0.03 1.26 0.09 0.00 2.07 -0.80 0.34 116.25 119.25 1jbi h VAL 52 Ca 0.03 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1jbi h VAL 52 Cb 0.11 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1jbi h VAL 52 CO -0.00 0.38 -0.09 -0.74 0.02 0.00 0.00 177.57 177.14 1jbi h HIS 53 N 0.81 -0.22 -0.07 1.57 6.17 -1.10 -2.02 115.15 120.29 1jbi h HIS 53 Ca 0.15 0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.26 1jbi h HIS 53 Cb 0.51 0.09 -0.00 0.00 2.52 0.00 0.00 27.41 30.52 1jbi h HIS 53 CO 0.04 -0.13 0.11 -0.09 0.71 0.00 0.00 177.93 178.56 1jbi h ARG 54 N -0.19 0.00 0.00 5.26 9.65 -0.73 -3.44 114.38 124.92 1jbi h ARG 54 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1jbi h ARG 54 Cb 0.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1jbi h ARG 54 CO -0.02 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.16 1jbi n GLY 55 N -1.28 0.68 0.17 2.80 0.00 -0.22 -4.97 105.19 102.37 1jbi n GLY 55 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 1jbi n GLY 55 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jbi h VAL 56 N 0.00 0.78 -3.10 1.61 2.07 -1.26 -3.44 116.25 112.92 1jbi h VAL 56 Ca 0.00 -0.06 -0.41 0.00 0.82 0.00 0.00 66.70 67.05 1jbi h VAL 56 Cb 0.00 0.58 -0.14 0.00 -1.52 0.00 0.00 31.29 30.21 1jbi h VAL 56 CO 0.00 0.03 -0.69 0.27 0.02 0.00 0.00 177.57 177.20 1jbi s ILE 57 N -6.16 1.34 0.92 4.57 -4.36 -1.25 -4.83 121.20 111.42 1jbi s ILE 57 Ca -0.13 -2.10 -0.12 0.00 -0.26 0.00 0.00 60.65 58.04 1jbi s ILE 57 Cb 0.13 -2.19 0.14 0.00 1.25 0.00 0.00 42.46 41.80 1jbi s ILE 57 CO 0.71 -0.48 1.13 -0.44 0.24 0.00 0.00 174.94 176.10 1jbi s SER 58 N -3.30 3.42 -1.39 4.36 0.01 -1.26 -4.55 113.70 110.97 1jbi s SER 58 Ca 0.25 1.04 -0.14 0.00 1.31 0.00 0.00 55.95 58.40 1jbi s SER 58 Cb 0.03 -1.64 0.07 0.00 0.21 0.00 0.00 66.02 64.69 1jbi s SER 58 CO 0.07 -2.62 2.05 -3.20 0.41 0.00 0.00 173.24 169.95 1jbi n ASN 59 N -3.82 4.30 0.00 2.44 2.85 -1.26 -3.54 115.26 116.23 1jbi n ASN 59 Ca 0.06 -2.90 0.00 0.00 -0.11 0.00 0.00 54.58 51.64 1jbi n ASN 59 Cb 0.59 -1.65 0.00 0.00 1.24 0.00 0.00 39.78 39.95 1jbi n ASN 59 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1jbi n SER 60 N 6.30 0.00 0.00 1.20 2.88 -1.17 -4.85 113.62 117.98 1jbi n SER 60 Ca 0.49 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1jbi n SER 60 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1jbi n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jbi n GLY 61 N 0.00 -0.23 0.00 0.46 0.00 -1.22 -4.03 105.19 100.17 1jbi n GLY 61 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1jbi n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jbi n GLY 62 N -0.26 -0.86 3.78 -0.02 0.00 0.31 -4.59 105.19 103.55 1jbi n GLY 62 Ca 0.00 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 1jbi n GLY 62 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jbi s PRO 63 N -1.71 3.71 0.07 1.61 0.04 -1.26 -0.97 135.00 136.49 1jbi s PRO 63 Ca 0.00 1.60 -0.07 0.00 0.04 0.00 0.00 61.00 62.57 1jbi s PRO 63 Cb 0.00 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 1jbi s PRO 63 CO 0.00 -0.55 0.15 0.08 0.04 0.00 0.00 177.00 176.72 1jbi s VAL 64 N -1.72 0.15 -0.25 -0.36 1.01 0.43 -4.68 120.40 114.98 1jbi s VAL 64 Ca 0.66 -1.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1jbi s VAL 64 Cb -0.24 -1.24 0.09 0.00 0.00 0.00 0.00 36.38 35.00 1jbi s VAL 64 CO 0.28 -0.66 0.15 -0.60 0.00 0.00 0.00 175.10 174.26 1jbi s ARG 65 N -3.50 0.17 0.27 2.72 3.52 0.83 -0.87 118.95 122.09 1jbi s ARG 65 Ca 0.02 -0.28 -0.18 0.00 -0.13 0.00 0.00 55.73 55.16 1jbi s ARG 65 Cb 0.04 -1.30 -0.09 0.00 -1.56 0.00 0.00 34.95 32.04 1jbi s ARG 65 CO -0.09 -0.88 0.74 0.08 -0.81 0.00 0.00 175.30 174.34 1jbi s VAL 66 N 2.16 4.61 -0.13 7.11 1.01 0.63 -0.58 120.40 135.21 1jbi s VAL 66 Ca 0.07 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 1jbi s VAL 66 Cb -0.16 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1jbi s VAL 66 CO -0.26 0.03 -0.04 -0.31 0.00 0.00 0.00 175.10 174.52 1jbi s TYR 67 N -1.73 1.37 0.69 5.22 1.51 -0.18 -0.88 117.35 123.35 1jbi s TYR 67 Ca 0.48 -0.77 -0.16 0.00 -1.01 0.00 0.00 57.07 55.61 1jbi s TYR 67 Cb -0.14 -1.16 0.02 0.00 -0.11 0.00 0.00 41.96 40.57 1jbi s TYR 67 CO 0.19 -0.52 1.21 -1.54 -1.11 0.00 0.00 175.55 173.78 1jbi s SER 68 N 1.75 4.46 -0.01 2.29 1.04 0.18 -0.96 113.70 122.45 1jbi s SER 68 Ca 0.03 2.38 0.02 0.00 0.48 0.00 0.00 55.95 58.85 1jbi s SER 68 Cb -0.14 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.39 1jbi s SER 68 CO -0.07 -2.08 -0.05 -0.22 0.98 0.00 0.00 173.24 171.79 1jbi s LEU 69 N -4.85 1.98 1.22 2.42 0.20 -0.19 -4.74 118.68 114.71 1jbi s LEU 69 Ca 0.76 -0.09 -0.15 0.00 0.69 0.00 0.00 54.13 55.33 1jbi s LEU 69 Cb -0.30 -0.26 0.27 0.00 -0.43 0.00 0.00 46.19 45.47 1jbi s LEU 69 CO 0.42 0.06 0.78 -0.81 -0.29 0.00 0.00 176.35 176.51 1jbi n PRO 70 N 3.00 -2.71 -1.68 0.98 -0.04 -1.26 -1.92 135.00 131.37 1jbi n PRO 70 Ca -0.13 -0.77 -0.47 0.00 -0.04 0.00 0.00 63.50 62.08 1jbi n PRO 70 Cb 0.58 -2.02 -0.04 0.00 -0.04 0.00 0.00 33.50 31.97 1jbi n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jbi n GLY 71 N 1.39 1.48 3.48 0.55 0.00 -1.26 -3.68 105.19 107.14 1jbi n GLY 71 Ca 0.03 0.83 -0.23 0.00 0.00 0.00 0.00 46.02 46.64 1jbi n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jbi s ARG 72 N 3.68 1.67 0.36 1.61 0.52 -0.51 -4.92 118.95 121.35 1jbi s ARG 72 Ca 0.90 -1.87 -0.00 0.00 -0.52 0.00 0.00 55.73 54.24 1jbi s ARG 72 Cb -0.65 -1.34 0.00 0.00 0.52 0.00 0.00 34.95 33.48 1jbi s ARG 72 CO 0.48 0.05 0.46 -0.85 0.02 0.00 0.00 175.30 175.46 1jbi n GLU 73 N -0.68 0.67 -4.05 3.54 0.00 -1.26 -0.78 120.64 118.08 1jbi n GLU 73 Ca -0.05 -2.98 -0.35 0.00 0.00 0.00 0.00 57.16 53.78 1jbi n GLU 73 Cb 0.64 2.78 -0.02 0.00 0.00 0.00 0.00 31.44 34.85 1jbi n GLU 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1jbi n ASN 74 N -1.62 -2.03 -4.00 -1.84 3.02 -1.26 -4.91 115.26 102.63 1jbi n ASN 74 Ca 0.02 -1.18 -0.30 0.00 -0.03 0.00 0.00 54.58 53.09 1jbi n ASN 74 Cb 0.61 -2.25 0.20 0.00 -0.61 0.00 0.00 39.78 37.73 1jbi n ASN 74 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1jbi s TYR 75 N -3.86 1.31 0.31 3.10 1.51 -1.26 -5.05 117.35 113.41 1jbi s TYR 75 Ca 0.24 0.28 0.03 0.00 -1.01 0.00 0.00 57.07 56.61 1jbi s TYR 75 Cb -0.12 -4.12 -0.06 0.00 -0.11 0.00 0.00 41.96 37.55 1jbi s TYR 75 CO 0.94 -2.89 0.07 -1.12 -1.11 0.00 0.00 175.55 171.45 1jbi s SER 76 N -4.83 2.06 -0.07 2.29 0.01 -1.26 -4.75 113.70 107.16 1jbi s SER 76 Ca 0.75 -1.40 0.04 0.00 1.31 0.00 0.00 55.95 56.65 1jbi s SER 76 Cb -0.04 0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.22 1jbi s SER 76 CO 0.54 -0.67 -0.21 -0.44 0.41 0.00 0.00 173.24 172.87 1jbi s SER 77 N -3.45 2.64 0.06 2.44 0.01 -1.26 -2.89 113.70 111.25 1jbi s SER 77 Ca 0.36 -0.45 -0.17 0.00 1.31 0.00 0.00 55.95 57.00 1jbi s SER 77 Cb 0.08 -0.95 0.03 0.00 0.21 0.00 0.00 66.02 65.39 1jbi s SER 77 CO 0.15 0.16 0.39 -0.69 0.41 0.00 0.00 173.24 173.66 1jbi s VAL 78 N 0.17 0.06 0.07 3.43 1.01 -0.27 -4.98 120.40 119.89 1jbi s VAL 78 Ca -0.10 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1jbi s VAL 78 Cb -0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1jbi s VAL 78 CO 0.05 -0.30 -0.21 -0.62 0.00 0.00 0.00 175.10 174.02 1jbi s ASP 79 N -2.18 3.62 -0.21 3.32 -1.08 -1.26 -0.91 116.67 117.98 1jbi s ASP 79 Ca -0.03 -0.53 -0.16 0.00 -0.52 0.00 0.00 52.55 51.30 1jbi s ASP 79 Cb -0.00 -0.48 0.06 0.00 -1.46 0.00 0.00 42.92 41.04 1jbi s ASP 79 CO -0.04 0.23 0.54 0.00 0.52 0.00 0.00 175.17 176.42 1jbi s ALA 80 N -0.96 -1.39 -1.87 3.66 0.00 -0.83 -4.94 121.76 115.44 1jbi s ALA 80 Ca 0.15 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1jbi s ALA 80 Cb -0.10 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1jbi s ALA 80 CO 0.06 -0.28 0.00 0.09 0.00 0.00 0.00 175.76 175.62 1jbi n ASN 81 N 3.43 -5.16 -1.57 0.00 3.02 -1.26 -2.36 115.26 111.36 1jbi n ASN 81 Ca -0.17 0.31 -0.07 0.00 -0.03 0.00 0.00 54.58 54.61 1jbi n ASN 81 Cb 0.56 -4.49 0.03 0.00 -0.61 0.00 0.00 39.78 35.27 1jbi n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jbi n GLY 82 N -0.58 0.41 2.76 7.41 0.00 -1.26 -5.04 105.19 108.89 1jbi n GLY 82 Ca -0.20 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 1jbi n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jbi s ILE 83 N -3.11 0.09 -0.22 -0.61 1.01 -0.99 -5.07 121.20 112.31 1jbi s ILE 83 Ca 0.16 0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.93 1jbi s ILE 83 Cb -0.07 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 1jbi s ILE 83 CO 0.24 0.16 0.09 -1.58 0.00 0.00 0.00 174.94 173.86 1jbi s GLN 84 N 1.49 3.92 -0.19 2.79 2.00 -1.26 -1.96 119.66 126.44 1jbi s GLN 84 Ca -0.03 -0.36 -0.07 0.00 -2.00 0.00 0.00 55.36 52.90 1jbi s GLN 84 Cb -0.13 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.31 1jbi s GLN 84 CO -0.03 0.09 0.06 -1.54 -0.50 0.00 0.00 175.29 173.37 1jbi s SER 85 N 0.89 5.49 0.09 6.67 1.04 -0.08 -2.13 113.70 125.67 1jbi s SER 85 Ca 0.05 0.01 0.10 0.00 0.48 0.00 0.00 55.95 56.59 1jbi s SER 85 Cb -0.14 -1.95 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 1jbi s SER 85 CO 0.03 0.13 -0.24 0.00 0.98 0.00 0.00 173.24 174.14 1jbi s GLN 86 N 0.62 1.69 1.01 4.02 -2.07 -0.66 -1.11 119.66 123.16 1jbi s GLN 86 Ca 0.03 -1.19 -0.13 0.00 -1.82 0.00 0.00 55.36 52.25 1jbi s GLN 86 Cb -0.13 -2.01 0.13 0.00 -1.09 0.00 0.00 33.01 29.91 1jbi s GLN 86 CO 0.02 0.49 0.69 0.00 -1.32 0.00 0.00 175.29 175.16 1jbi n MET 87 N 1.23 -0.95 -4.21 9.60 0.00 -1.14 -0.31 117.12 121.35 1jbi n MET 87 Ca -0.17 -0.23 -0.12 0.00 0.00 0.00 0.00 57.70 57.18 1jbi n MET 87 Cb 0.52 -2.05 -0.10 0.00 0.00 0.00 0.00 33.22 31.59 1jbi n MET 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1jbi s LEU 88 N -3.96 1.63 -0.91 3.17 1.02 -1.26 -4.80 118.68 113.56 1jbi s LEU 88 Ca 0.62 -1.29 -0.11 0.00 0.02 0.00 0.00 54.13 53.37 1jbi s LEU 88 Cb -0.21 0.21 0.24 0.00 0.02 0.00 0.00 46.19 46.45 1jbi s LEU 88 CO 0.64 -0.73 0.86 -0.94 0.02 0.00 0.00 176.35 176.20 1jbi s SER 89 N -3.15 6.82 -0.78 2.29 1.04 -1.26 -4.10 113.70 114.55 1jbi s SER 89 Ca 0.31 -3.05 -0.04 0.00 0.48 0.00 0.00 55.95 53.65 1jbi s SER 89 Cb 0.07 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 1jbi s SER 89 CO 0.07 -0.45 0.69 -1.14 0.98 0.00 0.00 173.24 173.40 1jbi n ARG 90 N 3.44 -1.62 -2.80 4.02 0.63 -1.25 -4.97 116.66 114.12 1jbi n ARG 90 Ca 0.17 0.84 -0.42 0.00 -0.92 0.00 0.00 57.85 57.52 1jbi n ARG 90 Cb 0.43 -4.95 -0.03 0.00 0.45 0.00 0.00 32.46 28.36 1jbi n ARG 90 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 1jbi s TRP 91 N -3.24 3.29 -0.01 -0.14 -0.11 0.05 -4.91 118.94 113.87 1jbi s TRP 91 Ca 0.28 1.20 0.00 0.00 1.22 0.00 0.00 56.10 58.80 1jbi s TRP 91 Cb -0.04 -3.21 0.01 0.00 -1.50 0.00 0.00 33.47 28.73 1jbi s TRP 91 CO 0.59 -0.49 1.34 0.43 -4.62 0.00 0.00 176.95 174.21 1jbi n SER 92 N 6.23 3.80 -3.15 5.86 7.64 -1.26 -1.43 113.62 131.30 1jbi n SER 92 Ca 0.08 -2.16 0.05 0.00 1.01 0.00 0.00 58.87 57.85 1jbi n SER 92 Cb 0.47 -0.71 -0.01 0.00 -1.01 0.00 0.00 64.21 62.94 1jbi n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jbi s ALA 93 N -0.04 -2.83 0.41 -0.43 0.00 -1.26 -4.54 121.76 113.07 1jbi s ALA 93 Ca 0.01 1.65 0.04 0.00 0.00 0.00 0.00 51.96 53.66 1jbi s ALA 93 Cb 0.01 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 1jbi s ALA 93 CO 0.00 -1.39 0.05 -1.12 0.00 0.00 0.00 175.76 173.31 1jbi s SER 94 N 2.90 3.20 0.24 0.00 0.01 -0.81 -1.16 113.70 118.08 1jbi s SER 94 Ca 0.10 -1.52 -0.22 0.00 1.31 0.00 0.00 55.95 55.63 1jbi s SER 94 Cb -0.13 0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.29 1jbi s SER 94 CO -0.16 -0.72 0.67 0.72 0.41 0.00 0.00 173.24 174.16 1jbi s PHE 95 N -3.06 -0.30 -0.03 2.43 -0.71 0.02 -1.02 117.98 115.30 1jbi s PHE 95 Ca 0.26 -0.07 0.02 0.00 -1.04 0.00 0.00 56.93 56.10 1jbi s PHE 95 Cb 0.06 0.65 0.01 0.00 -1.21 0.00 0.00 43.02 42.53 1jbi s PHE 95 CO 0.13 -1.10 -0.07 -0.08 -1.34 0.00 0.00 175.22 172.77 1jbi s THR 96 N -3.86 0.63 0.21 -4.49 -1.32 -0.14 -0.35 115.64 106.33 1jbi s THR 96 Ca 0.08 -0.24 0.07 0.00 -1.21 0.00 0.00 61.69 60.38 1jbi s THR 96 Cb -0.04 -0.59 -0.04 0.00 -1.51 0.00 0.00 72.50 70.32 1jbi s THR 96 CO -0.00 0.22 0.13 0.54 -2.21 0.00 0.00 174.62 173.30 1jbi s VAL 97 N 0.48 4.29 0.36 5.08 0.11 -1.26 -1.01 120.40 128.43 1jbi s VAL 97 Ca -0.07 -1.34 -0.11 0.00 -2.93 0.00 0.00 61.98 57.53 1jbi s VAL 97 Cb -0.11 -3.25 0.03 0.00 -1.53 0.00 0.00 36.38 31.52 1jbi s VAL 97 CO 0.00 -0.24 0.65 0.42 -3.33 0.00 0.00 175.10 172.61 1jbi s THR 98 N -1.97 0.00 0.53 5.04 -4.23 0.26 -4.97 115.64 110.30 1jbi s THR 98 Ca 0.31 -1.24 -0.06 0.00 -1.18 0.00 0.00 61.69 59.53 1jbi s THR 98 Cb -0.09 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 71.04 1jbi s THR 98 CO 0.23 0.00 0.84 -0.76 -0.54 0.00 0.00 174.62 174.40 1jbi s LEU 99 N -3.12 3.44 0.00 4.79 1.43 -1.26 -0.12 118.68 123.84 1jbi s LEU 99 Ca 0.21 0.85 0.31 0.00 -1.03 0.00 0.00 54.13 54.48 1jbi s LEU 99 Cb -0.03 -3.76 1.76 0.00 0.03 0.00 0.00 46.19 44.19 1jbi s LEU 99 CO 0.14 -0.80 2.14 1.21 0.23 0.00 0.00 176.35 179.28