#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 0.25 0.85 1.79 0.00 -1.26 -5.17 121.76 118.22 1jbi s ALA 2 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.29 1jbi s ALA 2 Cb 0.00 0.09 0.13 0.00 0.00 0.00 0.00 23.12 23.33 1jbi s ALA 2 CO 0.00 -0.08 1.20 -1.25 0.00 0.00 0.00 175.76 175.63 1jbi s PRO 3 N -1.23 1.47 -0.28 0.00 0.04 -1.26 -4.79 135.00 128.95 1jbi s PRO 3 Ca -0.11 -0.19 -0.07 0.00 0.04 0.00 0.00 61.00 60.67 1jbi s PRO 3 Cb -0.08 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1jbi s PRO 3 CO -0.00 -1.86 0.07 0.42 0.04 0.00 0.00 177.00 175.67 1jbi s ILE 4 N -3.64 3.96 -0.35 0.56 1.09 -0.33 -4.91 121.20 117.59 1jbi s ILE 4 Ca 0.67 -0.62 -0.26 0.00 -1.10 0.00 0.00 60.65 59.33 1jbi s ILE 4 Cb -0.08 -3.00 0.01 0.00 -1.06 0.00 0.00 42.46 38.33 1jbi s ILE 4 CO 0.50 0.13 0.95 0.00 -0.10 0.00 0.00 174.94 176.42 1jbi s ALA 5 N 1.51 3.45 0.21 9.38 0.00 -1.26 -0.97 121.76 134.08 1jbi s ALA 5 Ca 0.03 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.68 1jbi s ALA 5 Cb -0.17 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 1jbi s ALA 5 CO 0.02 -1.52 0.36 0.96 0.00 0.00 0.00 175.76 175.58 1jbi s ILE 6 N 3.46 5.26 -0.17 0.00 -5.25 -0.46 -4.91 121.20 119.13 1jbi s ILE 6 Ca 0.39 -0.71 0.01 0.00 -0.99 0.00 0.00 60.65 59.35 1jbi s ILE 6 Cb -0.12 -3.79 0.13 0.00 2.95 0.00 0.00 42.46 41.62 1jbi s ILE 6 CO 0.17 -0.24 1.12 1.07 -1.79 0.00 0.00 174.94 175.28 1jbi n THR 7 N -1.00 1.31 -0.79 8.37 5.66 -1.26 -4.30 114.28 122.28 1jbi n THR 7 Ca -0.07 -0.35 -0.04 0.00 -3.05 0.00 0.00 64.05 60.54 1jbi n THR 7 Cb 0.55 -0.85 -0.02 0.00 -1.55 0.00 0.00 70.33 68.46 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 -1.24 0.00 -1.95 0.00 7.35 -1.26 -4.78 117.46 115.58 1jbi n PHE 9 Ca -0.04 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.23 1jbi n PHE 9 Cb 0.28 -0.03 -0.03 0.00 0.35 0.00 0.00 39.48 40.05 1jbi n PHE 9 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1jbi s THR 10 N -1.71 3.47 0.81 -2.13 2.01 -1.26 -4.92 115.64 111.92 1jbi s THR 10 Ca 0.00 0.55 -0.12 0.00 0.31 0.00 0.00 61.69 62.43 1jbi s THR 10 Cb 0.02 -3.43 0.08 0.00 0.01 0.00 0.00 72.50 69.18 1jbi s THR 10 CO 0.11 -0.14 1.17 -0.13 -0.69 0.00 0.00 174.62 174.94 1jbi s ARG 11 N 4.64 1.94 0.00 4.92 0.52 -1.26 -2.10 118.95 127.61 1jbi s ARG 11 Ca 0.78 0.15 0.03 0.00 -0.52 0.00 0.00 55.73 56.17 1jbi s ARG 11 Cb -0.31 -1.94 0.19 0.00 0.52 0.00 0.00 34.95 33.40 1jbi s ARG 11 CO 0.32 -1.62 0.52 0.41 0.02 0.00 0.00 175.30 174.95 1jbi n GLY 12 N -3.20 -0.22 0.27 -3.53 0.00 -0.14 -2.77 105.19 95.60 1jbi n GLY 12 Ca 0.08 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 0.89 -0.00 0.99 3.38 -1.51 -3.20 115.31 115.86 1jbi h LEU 13 Ca 0.00 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1jbi h LEU 13 Cb 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1jbi h LEU 13 CO 0.00 1.09 -0.22 0.44 0.09 0.00 0.00 178.44 179.85 1jbi h ASP 14 N 0.74 0.19 -3.04 -0.43 5.19 -1.84 -3.41 116.42 113.82 1jbi h ASP 14 Ca 0.09 -0.78 -0.73 0.00 -0.62 0.00 0.00 57.03 54.99 1jbi h ASP 14 Cb 0.80 -0.06 -0.21 0.00 0.18 0.00 0.00 39.33 40.04 1jbi h ASP 14 CO 0.07 0.95 0.34 -0.63 -3.12 0.00 0.00 179.24 176.85 1jbi s ILE 15 N -3.10 5.04 -0.61 0.35 1.01 -1.21 -4.85 121.20 117.84 1jbi s ILE 15 Ca -0.16 -1.65 0.05 0.00 0.00 0.00 0.00 60.65 58.89 1jbi s ILE 15 Cb 0.01 -4.58 0.30 0.00 0.01 0.00 0.00 42.46 38.20 1jbi s ILE 15 CO 0.73 -1.22 0.87 0.54 0.00 0.00 0.00 174.94 175.86 1jbi n ARG 16 N 5.65 2.95 -4.31 2.79 1.74 -1.26 -4.76 116.66 119.46 1jbi n ARG 16 Ca 0.09 -4.79 -0.23 0.00 -0.77 0.00 0.00 57.85 52.15 1jbi n ARG 16 Cb 0.46 -2.25 -0.08 0.00 -1.02 0.00 0.00 32.46 29.57 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 -3.05 2.22 0.18 5.56 3.01 -1.26 -5.05 119.74 121.35 1jbi s LYS 17 Ca 0.45 -1.44 -0.10 0.00 -1.01 0.00 0.00 55.97 53.88 1jbi s LYS 17 Cb 0.22 -2.12 0.07 0.00 -1.01 0.00 0.00 37.83 34.99 1jbi s LYS 17 CO -0.08 0.37 1.66 1.49 0.51 0.00 0.00 175.35 179.30 1jbi h GLU 18 N 2.01 1.05 -2.01 1.68 4.81 -1.97 -3.38 114.58 116.77 1jbi h GLU 18 Ca -0.44 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.48 1jbi h GLU 18 Cb 1.25 -0.11 -0.21 0.00 0.63 0.00 0.00 28.75 30.30 1jbi h GLU 18 CO 0.60 0.99 0.07 -1.59 -0.73 0.00 0.00 179.01 178.35 1jbi s LYS 19 N -5.15 0.77 -0.19 1.92 0.00 -1.26 -0.72 119.74 115.12 1jbi s LYS 19 Ca -0.12 1.10 -0.26 0.00 0.00 0.00 0.00 55.97 56.69 1jbi s LYS 19 Cb 0.13 0.28 0.07 0.00 0.00 0.00 0.00 37.83 38.31 1jbi s LYS 19 CO 0.84 -0.12 0.69 0.00 0.00 0.00 0.00 175.35 176.76 1jbi s ALA 20 N 0.97 -1.73 0.09 0.59 0.00 -0.63 -5.02 121.76 116.04 1jbi s ALA 20 Ca -0.05 1.73 -0.10 0.00 0.00 0.00 0.00 51.96 53.55 1jbi s ALA 20 Cb -0.05 -0.74 -0.06 0.00 0.00 0.00 0.00 23.12 22.27 1jbi s ALA 20 CO -0.09 -0.34 0.41 -0.51 0.00 0.00 0.00 175.76 175.23 1jbi s ASP 21 N -0.18 6.64 0.09 0.00 1.11 -1.26 -0.52 116.67 122.54 1jbi s ASP 21 Ca -0.04 0.79 0.03 0.00 0.18 0.00 0.00 52.55 53.52 1jbi s ASP 21 Cb -0.03 -2.18 -0.03 0.00 1.07 0.00 0.00 42.92 41.75 1jbi s ASP 21 CO 0.04 0.15 -0.09 0.68 1.18 0.00 0.00 175.17 177.13 1jbi s VAL 22 N -1.44 0.81 -0.05 -1.27 -7.23 0.46 -1.18 120.40 110.49 1jbi s VAL 22 Ca 0.35 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 58.98 1jbi s VAL 22 Cb -0.14 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.52 1jbi s VAL 22 CO 0.19 -0.58 -0.18 -0.76 -0.31 0.00 0.00 175.10 173.46 1jbi s LEU 23 N -2.37 2.50 -0.65 1.32 2.01 -0.14 -0.26 118.68 121.08 1jbi s LEU 23 Ca 0.03 -0.31 -0.01 0.00 0.01 0.00 0.00 54.13 53.85 1jbi s LEU 23 Cb -0.03 -1.49 0.16 0.00 0.01 0.00 0.00 46.19 44.85 1jbi s LEU 23 CO -0.01 0.31 0.46 0.00 1.01 0.00 0.00 176.35 178.12 1jbi s PRO 25 N -0.34 2.97 2.30 0.00 0.04 -1.26 -1.00 135.00 137.71 1jbi s PRO 25 Ca 0.19 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1jbi s PRO 25 Cb -0.19 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1jbi s PRO 25 CO -0.04 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.29 1jbi n GLY 26 N -0.45 -1.02 0.00 0.56 0.00 -1.26 -4.58 105.19 98.44 1jbi n GLY 26 Ca 0.10 -1.27 0.06 0.00 0.00 0.00 0.00 46.02 44.91 1jbi n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jbi n GLY 27 N 0.00 -0.28 3.55 -0.02 0.00 -1.26 -3.83 105.19 103.34 1jbi n GLY 27 Ca 0.00 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1jbi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jbi s PRO 29 N -3.25 1.00 -1.47 0.00 0.04 -1.26 -4.65 135.00 125.41 1jbi s PRO 29 Ca 0.25 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 1jbi s PRO 29 Cb -0.03 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 1jbi s PRO 29 CO 0.87 -2.54 2.62 1.28 0.04 0.00 0.00 177.00 179.27 1jbi n LEU 30 N -4.14 7.63 -0.07 -3.56 4.77 -1.26 -4.48 117.00 115.88 1jbi n LEU 30 Ca 0.09 -4.09 -0.07 0.00 -0.03 0.00 0.00 56.01 51.91 1jbi n LEU 30 Cb 0.53 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.07 1jbi n LEU 30 CO 0.52 1.53 -0.35 -0.08 -1.33 0.00 0.00 177.39 177.69 1jbi h GLU 31 N 5.56 0.00 -2.67 3.23 4.57 -2.02 -3.48 114.58 119.77 1jbi h GLU 31 Ca 0.73 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.78 1jbi h GLU 31 Cb 0.40 0.00 -0.27 0.00 -0.16 0.00 0.00 28.75 28.71 1jbi h GLU 31 CO 1.80 0.15 -0.35 -1.21 -1.18 0.00 0.00 179.01 178.22 1jbi s GLU 32 N -2.22 0.34 -0.16 1.92 2.02 -1.26 -5.13 118.70 114.21 1jbi s GLU 32 Ca -0.16 0.81 -0.02 0.00 0.02 0.00 0.00 54.97 55.61 1jbi s GLU 32 Cb 0.02 0.03 0.05 0.00 0.10 0.00 0.00 34.13 34.34 1jbi s GLU 32 CO 0.26 -0.19 0.02 -0.06 0.02 0.00 0.00 175.26 175.31 1jbi s PHE 33 N 1.69 1.00 -0.27 1.61 0.08 -1.26 -4.99 117.98 115.84 1jbi s PHE 33 Ca -0.07 -0.69 -0.04 0.00 0.12 0.00 0.00 56.93 56.25 1jbi s PHE 33 Cb -0.10 -1.00 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 1jbi s PHE 33 CO -0.12 -0.53 -0.00 0.45 -0.10 0.00 0.00 175.22 174.92 1jbi s SER 34 N 1.87 4.67 0.17 1.36 0.15 -1.26 -4.40 113.70 116.25 1jbi s SER 34 Ca 0.01 -0.80 0.10 0.00 0.70 0.00 0.00 55.95 55.95 1jbi s SER 34 Cb -0.15 -1.76 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1jbi s SER 34 CO -0.07 -0.15 -0.21 -0.69 1.20 0.00 0.00 173.24 173.31 1jbi s VAL 35 N 1.40 2.04 -0.23 4.45 1.01 -1.13 -1.98 120.40 125.96 1jbi s VAL 35 Ca 0.01 -1.93 -0.04 0.00 0.00 0.00 0.00 61.98 60.02 1jbi s VAL 35 Cb -0.17 -1.94 0.08 0.00 0.00 0.00 0.00 36.38 34.35 1jbi s VAL 35 CO -0.01 -0.20 0.09 -0.31 0.00 0.00 0.00 175.10 174.67 1jbi s TYR 36 N -1.80 0.55 0.00 5.22 1.51 -1.26 -1.84 117.35 119.74 1jbi s TYR 36 Ca 0.17 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 1jbi s TYR 36 Cb -0.07 -0.93 0.00 0.00 -0.11 0.00 0.00 41.96 40.85 1jbi s TYR 36 CO 0.08 -0.68 0.00 0.41 -1.11 0.00 0.00 175.55 174.25 1jbi n GLY 37 N 5.18 -1.77 3.88 0.71 0.00 0.57 -0.82 105.19 112.93 1jbi n GLY 37 Ca -0.07 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.68 6.55 0.00 1.61 4.22 -1.26 -4.21 114.94 120.16 1jbi s ASN 38 Ca 0.00 0.64 0.00 0.00 -2.14 0.00 0.00 52.86 51.36 1jbi s ASN 38 Cb 0.00 -2.12 0.00 0.00 1.28 0.00 0.00 41.25 40.41 1jbi s ASN 38 CO 0.00 0.22 0.00 -0.38 -2.04 0.00 0.00 177.10 174.90 1jbi n ILE 39 N 1.03 0.00 -2.71 0.54 2.08 -1.26 -4.61 119.36 114.44 1jbi n ILE 39 Ca -0.10 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.79 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 4.16 -0.36 1.39 1.01 -1.26 -4.04 120.40 121.31 1jbi s VAL 40 Ca 0.00 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.07 1jbi s VAL 40 Cb 0.00 -4.89 0.01 0.00 0.00 0.00 0.00 36.38 31.49 1jbi s VAL 40 CO 0.00 -1.73 0.80 -0.31 0.00 0.00 0.00 175.10 173.86 1jbi s TYR 41 N 4.37 3.12 0.65 5.22 2.02 0.49 -4.12 117.35 129.09 1jbi s TYR 41 Ca 0.36 0.60 -0.17 0.00 -0.37 0.00 0.00 57.07 57.50 1jbi s TYR 41 Cb -0.06 -3.40 -0.01 0.00 -0.40 0.00 0.00 41.96 38.09 1jbi s TYR 41 CO -0.01 -0.72 1.17 0.00 -1.57 0.00 0.00 175.55 174.41 1jbi s ALA 42 N 3.12 2.41 0.56 3.71 0.00 -0.01 -0.78 121.76 130.78 1jbi s ALA 42 Ca 0.32 0.83 0.29 0.00 0.00 0.00 0.00 51.96 53.40 1jbi s ALA 42 Cb -0.13 -3.41 1.47 0.00 0.00 0.00 0.00 23.12 21.04 1jbi s ALA 42 CO 0.17 -1.36 1.91 1.03 0.00 0.00 0.00 175.76 177.50 1jbi h SER 43 N 0.34 0.00 0.79 0.00 0.87 -1.30 0.15 113.55 114.40 1jbi h SER 43 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1jbi h SER 43 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1jbi h SER 43 CO 0.53 0.00 0.00 1.62 -0.53 0.00 0.00 176.83 178.45 1jbi h VAL 44 N 0.00 0.00 -4.09 2.23 3.04 -1.86 -0.80 116.25 114.77 1jbi h VAL 44 Ca 0.29 -0.27 -0.52 0.00 -1.01 0.00 0.00 66.70 65.19 1jbi h VAL 44 Cb 1.33 1.04 0.11 0.00 -2.01 0.00 0.00 31.29 31.76 1jbi h VAL 44 CO -0.00 0.00 0.47 -0.44 -1.01 0.00 0.00 177.57 176.58 1jbi s SER 45 N -4.40 5.28 0.41 3.17 0.01 0.04 -4.67 113.70 113.54 1jbi s SER 45 Ca 0.04 2.36 -0.26 0.00 1.31 0.00 0.00 55.95 59.40 1jbi s SER 45 Cb 0.09 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.64 1jbi s SER 45 CO 0.42 -1.53 1.38 -0.55 0.41 0.00 0.00 173.24 173.37 1jbi s SER 46 N -1.62 6.18 0.13 2.44 0.15 -0.84 -0.97 113.70 119.18 1jbi s SER 46 Ca 0.77 2.82 -0.14 0.00 0.70 0.00 0.00 55.95 60.10 1jbi s SER 46 Cb -0.29 -2.65 -0.01 0.00 -1.71 0.00 0.00 66.02 61.36 1jbi s SER 46 CO 0.32 -0.95 1.60 0.40 1.20 0.00 0.00 173.24 175.80 1jbi h ILE 47 N 2.53 1.25 0.43 6.45 2.04 -1.71 0.82 117.51 129.32 1jbi h ILE 47 Ca -0.50 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 1jbi h ILE 47 Cb 1.25 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1jbi h ILE 47 CO 0.62 0.33 -0.24 0.00 0.00 0.00 0.00 178.15 178.86 1jbi h GLY 49 N -0.63 0.33 0.80 0.00 0.00 -1.87 0.88 103.07 102.58 1jbi h GLY 49 Ca -0.05 0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.43 1jbi h GLY 49 CO 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 176.54 176.45 1jbi h ALA 50 N 1.42 0.12 -0.45 3.60 0.00 -0.78 0.17 119.26 123.34 1jbi h ALA 50 Ca 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1jbi h ALA 50 Cb 0.31 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1jbi h ALA 50 CO -0.43 -0.45 0.20 0.00 0.00 0.00 0.00 179.25 178.57 1jbi h ALA 51 N 1.11 0.58 -0.36 0.00 0.00 -0.47 0.12 119.26 120.24 1jbi h ALA 51 Ca 0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1jbi h ALA 51 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1jbi h ALA 51 CO -0.11 0.16 0.00 0.28 0.00 0.00 0.00 179.25 179.59 1jbi h VAL 52 N 0.58 1.26 -0.40 0.00 2.07 -0.78 -3.12 116.25 115.86 1jbi h VAL 52 Ca 0.15 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 1jbi h VAL 52 Cb 0.15 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1jbi h VAL 52 CO -0.02 0.33 0.01 -0.74 0.02 0.00 0.00 177.57 177.17 1jbi h HIS 53 N 0.46 0.67 -0.14 1.57 6.17 -0.44 -1.41 115.15 122.03 1jbi h HIS 53 Ca 0.10 -0.07 0.04 0.00 0.71 0.00 0.00 60.37 61.15 1jbi h HIS 53 Cb 0.46 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.19 1jbi h HIS 53 CO 0.04 0.63 0.20 -0.09 0.71 0.00 0.00 177.93 179.41 1jbi h ARG 54 N 0.61 0.00 -0.50 5.26 9.65 -0.71 -3.43 114.38 125.26 1jbi h ARG 54 Ca 0.13 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1jbi h ARG 54 Cb 0.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1jbi h ARG 54 CO 0.01 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.19 1jbi n GLY 55 N -1.34 0.90 0.00 2.80 0.00 -0.53 -5.00 105.19 102.03 1jbi n GLY 55 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1jbi n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jbi n VAL 56 N -2.35 0.00 -4.41 1.61 0.31 -1.21 -5.06 118.33 107.23 1jbi n VAL 56 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 1jbi n VAL 56 Cb 0.38 -0.56 -0.12 0.00 -0.91 0.00 0.00 33.84 32.62 1jbi n VAL 56 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1jbi s ILE 57 N -1.71 2.34 0.53 2.52 -4.36 -1.19 -5.04 121.20 114.29 1jbi s ILE 57 Ca 0.00 -1.93 0.07 0.00 -0.26 0.00 0.00 60.65 58.53 1jbi s ILE 57 Cb 0.00 -2.09 0.04 0.00 1.25 0.00 0.00 42.46 41.65 1jbi s ILE 57 CO 0.00 -0.04 0.49 -0.44 0.24 0.00 0.00 174.94 175.19 1jbi s SER 58 N -2.46 4.83 -0.66 4.36 0.01 -1.26 -4.11 113.70 114.41 1jbi s SER 58 Ca 0.19 -1.05 -0.27 0.00 1.31 0.00 0.00 55.95 56.13 1jbi s SER 58 Cb -0.09 0.20 -0.24 0.00 0.21 0.00 0.00 66.02 66.10 1jbi s SER 58 CO 0.09 -1.08 1.86 -3.20 0.41 0.00 0.00 173.24 171.32 1jbi n ASN 59 N -1.84 1.78 0.00 2.44 5.15 -1.26 -3.37 115.26 118.16 1jbi n ASN 59 Ca 0.04 -2.57 0.00 0.00 -0.60 0.00 0.00 54.58 51.44 1jbi n ASN 59 Cb 0.63 -1.17 0.00 0.00 -0.53 0.00 0.00 39.78 38.71 1jbi n ASN 59 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1jbi n SER 60 N 12.48 0.00 -0.37 1.20 2.88 -0.68 -4.93 113.62 124.21 1jbi n SER 60 Ca 0.46 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 58.02 1jbi n SER 60 Cb 0.44 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.02 -1.89 0.00 0.46 0.00 -1.07 -4.23 105.19 98.48 1jbi n GLY 61 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.77 0.91 3.79 -0.02 0.00 -0.17 -4.90 105.19 104.04 1jbi n GLY 62 Ca 0.00 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.13 3.22 0.08 1.61 0.04 -1.26 -0.88 135.00 136.69 1jbi s PRO 63 Ca 0.00 1.26 -0.12 0.00 0.04 0.00 0.00 61.00 62.18 1jbi s PRO 63 Cb 0.00 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1jbi s PRO 63 CO 0.00 -0.90 0.27 0.08 0.04 0.00 0.00 177.00 176.49 1jbi s VAL 64 N -2.40 0.11 -0.27 -0.36 1.01 0.64 -4.91 120.40 114.22 1jbi s VAL 64 Ca 0.65 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1jbi s VAL 64 Cb -0.17 -1.18 0.08 0.00 0.00 0.00 0.00 36.38 35.11 1jbi s VAL 64 CO 0.37 -0.50 0.02 -0.60 0.00 0.00 0.00 175.10 174.40 1jbi s ARG 65 N -3.47 1.22 0.10 2.72 3.52 0.19 -0.41 118.95 122.81 1jbi s ARG 65 Ca 0.02 -1.12 -0.25 0.00 -0.13 0.00 0.00 55.73 54.25 1jbi s ARG 65 Cb 0.02 -2.47 -0.06 0.00 -1.56 0.00 0.00 34.95 30.88 1jbi s ARG 65 CO -0.09 -0.78 0.78 0.08 -0.81 0.00 0.00 175.30 174.48 1jbi s VAL 66 N 1.42 4.58 -0.11 7.11 1.01 0.32 -0.61 120.40 134.12 1jbi s VAL 66 Ca 0.02 1.68 -0.00 0.00 0.00 0.00 0.00 61.98 63.68 1jbi s VAL 66 Cb -0.18 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1jbi s VAL 66 CO -0.12 0.42 -0.07 -0.31 0.00 0.00 0.00 175.10 175.02 1jbi s TYR 67 N -0.48 1.41 0.90 5.22 2.02 -0.20 -1.61 117.35 124.60 1jbi s TYR 67 Ca 0.38 -0.68 -0.10 0.00 -0.37 0.00 0.00 57.07 56.29 1jbi s TYR 67 Cb -0.22 -1.19 0.13 0.00 -0.40 0.00 0.00 41.96 40.29 1jbi s TYR 67 CO 0.25 -0.49 1.13 -1.54 -1.57 0.00 0.00 175.55 173.32 1jbi s SER 68 N 1.70 3.15 0.07 2.29 1.04 0.10 -0.66 113.70 121.40 1jbi s SER 68 Ca 0.04 2.07 0.02 0.00 0.48 0.00 0.00 55.95 58.56 1jbi s SER 68 Cb -0.13 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 1jbi s SER 68 CO -0.08 -2.93 -0.07 -0.22 0.98 0.00 0.00 173.24 170.92 1jbi s LEU 69 N -6.49 2.41 1.16 2.42 0.20 -0.84 -4.66 118.68 112.88 1jbi s LEU 69 Ca 0.66 -0.82 -0.17 0.00 0.69 0.00 0.00 54.13 54.49 1jbi s LEU 69 Cb -0.22 -0.08 0.27 0.00 -0.43 0.00 0.00 46.19 45.73 1jbi s LEU 69 CO 0.58 -0.38 1.08 -2.16 -0.29 0.00 0.00 176.35 175.18 1jbi s PRO 70 N -2.94 -0.87 0.15 0.98 0.04 -1.26 -4.35 135.00 126.75 1jbi s PRO 70 Ca 0.02 0.23 -0.34 0.00 0.04 0.00 0.00 61.00 60.95 1jbi s PRO 70 Cb -0.01 -1.61 -0.14 0.00 0.04 0.00 0.00 34.50 32.78 1jbi s PRO 70 CO -0.03 -3.54 1.59 0.41 0.04 0.00 0.00 177.00 175.47 1jbi n GLY 71 N -0.57 1.13 3.48 0.56 0.00 -1.26 -4.55 105.19 103.98 1jbi n GLY 71 Ca 0.09 0.66 -0.23 0.00 0.00 0.00 0.00 46.02 46.54 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 1.06 1.67 0.24 1.61 1.81 -1.25 -5.05 118.95 119.02 1jbi s ARG 72 Ca 0.80 -1.87 -0.07 0.00 -1.72 0.00 0.00 55.73 52.87 1jbi s ARG 72 Cb -0.68 -1.31 0.03 0.00 -0.45 0.00 0.00 34.95 32.53 1jbi s ARG 72 CO 0.39 0.04 0.44 -0.85 -0.68 0.00 0.00 175.30 174.64 1jbi n GLU 73 N -0.68 0.64 -4.08 3.54 0.00 -1.26 -2.87 120.64 115.93 1jbi n GLU 73 Ca -0.05 -1.46 -0.30 0.00 0.00 0.00 0.00 57.16 55.35 1jbi n GLU 73 Cb 0.64 1.70 -0.03 0.00 0.00 0.00 0.00 31.44 33.76 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 -1.44 -1.55 -4.07 -1.84 3.02 -1.26 -4.94 115.26 103.18 1jbi n ASN 74 Ca -0.04 -1.02 -0.30 0.00 -0.03 0.00 0.00 54.58 53.20 1jbi n ASN 74 Cb 0.37 -2.89 0.21 0.00 -0.61 0.00 0.00 39.78 36.85 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 -3.70 1.16 0.34 3.10 1.51 -1.26 -5.05 117.35 113.44 1jbi s TYR 75 Ca 0.31 0.50 0.05 0.00 -1.01 0.00 0.00 57.07 56.92 1jbi s TYR 75 Cb -0.17 -3.65 -0.02 0.00 -0.11 0.00 0.00 41.96 38.01 1jbi s TYR 75 CO 0.91 -3.26 0.33 -1.12 -1.11 0.00 0.00 175.55 171.30 1jbi s SER 76 N -4.21 1.52 -0.11 2.29 0.01 -1.26 -4.73 113.70 107.22 1jbi s SER 76 Ca 0.71 -1.70 0.02 0.00 1.31 0.00 0.00 55.95 56.28 1jbi s SER 76 Cb -0.09 0.59 0.01 0.00 0.21 0.00 0.00 66.02 66.74 1jbi s SER 76 CO 0.55 -1.13 -0.16 -0.44 0.41 0.00 0.00 173.24 172.47 1jbi s SER 77 N -3.34 2.48 0.07 2.44 0.01 -1.26 -2.32 113.70 111.77 1jbi s SER 77 Ca 0.38 -0.44 -0.10 0.00 1.31 0.00 0.00 55.95 57.11 1jbi s SER 77 Cb 0.02 -1.12 0.00 0.00 0.21 0.00 0.00 66.02 65.13 1jbi s SER 77 CO 0.26 0.03 0.21 -0.69 0.41 0.00 0.00 173.24 173.46 1jbi s VAL 78 N 0.93 0.12 0.07 3.43 1.01 -0.89 -4.96 120.40 120.11 1jbi s VAL 78 Ca -0.07 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 60.97 1jbi s VAL 78 Cb -0.15 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1jbi s VAL 78 CO -0.01 -0.55 -0.16 -0.62 0.00 0.00 0.00 175.10 173.75 1jbi s ASP 79 N -2.51 3.94 -0.21 3.32 -1.08 -1.26 -0.96 116.67 117.92 1jbi s ASP 79 Ca 0.00 -0.44 -0.15 0.00 -0.52 0.00 0.00 52.55 51.45 1jbi s ASP 79 Cb 0.02 -0.65 0.06 0.00 -1.46 0.00 0.00 42.92 40.89 1jbi s ASP 79 CO -0.08 0.23 0.53 0.00 0.52 0.00 0.00 175.17 176.37 1jbi s ALA 80 N -1.02 -1.37 -1.44 3.66 0.00 -0.72 -4.94 121.76 115.93 1jbi s ALA 80 Ca 0.16 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1jbi s ALA 80 Cb -0.11 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1jbi s ALA 80 CO 0.08 -0.29 0.00 0.09 0.00 0.00 0.00 175.76 175.64 1jbi n ASN 81 N 3.67 -4.02 -0.27 0.00 3.02 -1.26 -0.82 115.26 115.58 1jbi n ASN 81 Ca -0.19 0.28 -0.04 0.00 -0.03 0.00 0.00 54.58 54.61 1jbi n ASN 81 Cb 0.57 -3.59 -0.02 0.00 -0.61 0.00 0.00 39.78 36.13 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 -0.47 0.65 3.61 7.41 0.00 -1.26 -5.04 105.19 110.09 1jbi n GLY 82 Ca -0.15 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.10 4.74 -0.21 -0.61 -1.09 0.00 -5.01 121.20 116.92 1jbi s ILE 83 Ca 0.00 -0.05 -0.08 0.00 -2.23 0.00 0.00 60.65 58.29 1jbi s ILE 83 Cb 0.00 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.69 1jbi s ILE 83 CO 0.00 0.44 0.08 -1.58 -1.23 0.00 0.00 174.94 172.65 1jbi s GLN 84 N 0.58 3.88 0.01 2.79 2.00 -1.26 -1.76 119.66 125.90 1jbi s GLN 84 Ca 0.03 -0.38 -0.00 0.00 -2.00 0.00 0.00 55.36 53.02 1jbi s GLN 84 Cb -0.13 -3.31 -0.04 0.00 0.80 0.00 0.00 33.01 30.33 1jbi s GLN 84 CO 0.01 0.08 0.09 -1.54 -0.50 0.00 0.00 175.29 173.43 1jbi s SER 85 N 0.91 5.70 0.10 6.67 1.04 -0.13 -2.83 113.70 125.16 1jbi s SER 85 Ca 0.04 0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.65 1jbi s SER 85 Cb -0.14 -1.63 -0.04 0.00 0.10 0.00 0.00 66.02 64.31 1jbi s SER 85 CO 0.03 0.26 -0.10 0.00 0.98 0.00 0.00 173.24 174.40 1jbi s GLN 86 N -1.84 0.88 1.13 4.02 -2.07 -0.77 -2.09 119.66 118.93 1jbi s GLN 86 Ca 0.24 -1.21 -0.12 0.00 -1.82 0.00 0.00 55.36 52.45 1jbi s GLN 86 Cb -0.12 -0.55 0.27 0.00 -1.09 0.00 0.00 33.01 31.52 1jbi s GLN 86 CO 0.15 0.08 1.05 0.00 -1.32 0.00 0.00 175.29 175.25 1jbi s MET 87 N -2.94 -0.69 0.32 9.60 0.23 -0.98 -0.32 119.30 124.51 1jbi s MET 87 Ca 0.07 1.01 -0.00 0.00 -1.03 0.00 0.00 55.69 55.74 1jbi s MET 87 Cb -0.02 -1.57 -0.01 0.00 -1.53 0.00 0.00 34.83 31.70 1jbi s MET 87 CO 0.00 -3.62 0.39 -0.51 -2.03 0.00 0.00 175.02 169.24 1jbi s LEU 88 N -7.18 1.18 -0.85 0.18 1.02 -1.26 -4.80 118.68 106.98 1jbi s LEU 88 Ca 0.68 -1.51 -0.05 0.00 0.02 0.00 0.00 54.13 53.27 1jbi s LEU 88 Cb -0.25 1.12 0.22 0.00 0.02 0.00 0.00 46.19 47.30 1jbi s LEU 88 CO 0.64 -1.18 0.75 -0.94 0.02 0.00 0.00 176.35 175.64 1jbi s SER 89 N -3.25 6.16 -1.00 2.29 1.04 -1.26 -4.30 113.70 113.38 1jbi s SER 89 Ca 0.34 -3.31 -0.08 0.00 0.48 0.00 0.00 55.95 53.37 1jbi s SER 89 Cb 0.01 -2.00 -0.04 0.00 0.10 0.00 0.00 66.02 64.09 1jbi s SER 89 CO 0.21 -0.31 0.84 -1.14 0.98 0.00 0.00 173.24 173.81 1jbi n ARG 90 N 2.96 -1.79 -2.71 4.02 0.63 -1.26 -4.89 116.66 113.62 1jbi n ARG 90 Ca 0.17 0.89 -0.43 0.00 -0.92 0.00 0.00 57.85 57.56 1jbi n ARG 90 Cb 0.39 -5.27 -0.03 0.00 0.45 0.00 0.00 32.46 28.00 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 -3.32 2.74 0.00 -0.14 -0.11 -1.14 -4.89 118.94 112.09 1jbi s TRP 91 Ca 0.36 0.29 0.00 0.00 1.22 0.00 0.00 56.10 57.96 1jbi s TRP 91 Cb -0.07 -4.27 0.00 0.00 -1.50 0.00 0.00 33.47 27.62 1jbi s TRP 91 CO 0.78 -1.40 1.25 0.43 -4.62 0.00 0.00 176.95 173.39 1jbi n SER 92 N 7.86 3.56 -3.17 5.86 7.64 -1.26 -3.88 113.62 130.22 1jbi n SER 92 Ca 0.06 -2.02 0.03 0.00 1.01 0.00 0.00 58.87 57.94 1jbi n SER 92 Cb 0.48 -0.67 -0.00 0.00 -1.01 0.00 0.00 64.21 63.01 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 0.09 -2.42 0.21 -0.43 0.00 -1.26 -4.89 121.76 113.05 1jbi s ALA 93 Ca 0.00 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.70 1jbi s ALA 93 Cb 0.00 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 1jbi s ALA 93 CO 0.00 -2.01 -0.08 -1.12 0.00 0.00 0.00 175.76 172.54 1jbi s SER 94 N 2.39 2.19 0.33 0.00 0.01 -1.25 -0.89 113.70 116.48 1jbi s SER 94 Ca 0.13 -1.09 -0.13 0.00 1.31 0.00 0.00 55.95 56.17 1jbi s SER 94 Cb -0.07 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1jbi s SER 94 CO -0.17 -0.33 0.65 0.72 0.41 0.00 0.00 173.24 174.52 1jbi s PHE 95 N -3.19 0.33 0.01 2.43 -0.71 0.04 -1.98 117.98 114.91 1jbi s PHE 95 Ca 0.23 -0.81 0.01 0.00 -1.04 0.00 0.00 56.93 55.32 1jbi s PHE 95 Cb 0.02 0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 42.31 1jbi s PHE 95 CO 0.06 -1.31 -0.04 -0.08 -1.34 0.00 0.00 175.22 172.52 1jbi s THR 96 N -3.08 0.24 0.14 -4.49 -1.32 0.17 -0.38 115.64 106.92 1jbi s THR 96 Ca 0.19 -0.54 0.05 0.00 -1.21 0.00 0.00 61.69 60.18 1jbi s THR 96 Cb -0.03 -0.29 -0.04 0.00 -1.51 0.00 0.00 72.50 70.63 1jbi s THR 96 CO 0.12 -0.20 0.09 0.54 -2.21 0.00 0.00 174.62 172.96 1jbi s VAL 97 N -0.74 4.33 0.19 5.08 0.11 -1.26 -1.04 120.40 127.07 1jbi s VAL 97 Ca -0.06 -1.06 -0.01 0.00 -2.93 0.00 0.00 61.98 57.92 1jbi s VAL 97 Cb -0.05 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 1jbi s VAL 97 CO -0.00 -0.04 0.26 0.35 -3.33 0.00 0.00 175.10 172.34 1jbi n THR 98 N -0.06 0.00 -4.36 5.04 -2.24 0.22 -4.96 114.28 107.91 1jbi n THR 98 Ca -0.09 -1.01 -0.21 0.00 -2.27 0.00 0.00 64.05 60.47 1jbi n THR 98 Cb 0.54 0.61 -0.11 0.00 -2.10 0.00 0.00 70.33 69.27 1jbi n THR 98 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jbi s LEU 99 N 0.00 2.49 0.00 3.22 1.43 -1.26 -0.64 118.68 123.92 1jbi s LEU 99 Ca 0.16 -0.93 0.25 0.00 -1.03 0.00 0.00 54.13 52.59 1jbi s LEU 99 Cb -0.00 -0.83 0.49 0.00 0.03 0.00 0.00 46.19 45.88 1jbi s LEU 99 CO 0.12 -0.06 1.43 1.21 0.23 0.00 0.00 176.35 179.28