#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 -1.51 0.90 1.79 0.00 -1.26 -5.17 121.76 116.52 1jbi s ALA 2 Ca 0.00 0.31 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 1jbi s ALA 2 Cb 0.00 -2.24 0.17 0.00 0.00 0.00 0.00 23.12 21.05 1jbi s ALA 2 CO 0.00 -1.84 1.26 -1.25 0.00 0.00 0.00 175.76 173.93 1jbi s PRO 3 N 2.47 1.00 -0.15 0.00 0.04 -1.26 -4.67 135.00 132.43 1jbi s PRO 3 Ca 0.11 -0.41 0.01 0.00 0.04 0.00 0.00 61.00 60.75 1jbi s PRO 3 Cb -0.11 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1jbi s PRO 3 CO -0.25 -2.15 -0.16 0.42 0.04 0.00 0.00 177.00 174.90 1jbi s ILE 4 N -3.74 1.68 -0.49 0.56 1.09 -0.01 -4.98 121.20 115.31 1jbi s ILE 4 Ca 0.71 -0.71 -0.26 0.00 -1.10 0.00 0.00 60.65 59.28 1jbi s ILE 4 Cb -0.05 -1.55 0.03 0.00 -1.06 0.00 0.00 42.46 39.82 1jbi s ILE 4 CO 0.51 0.48 1.00 0.00 -0.10 0.00 0.00 174.94 176.83 1jbi s ALA 5 N 1.35 3.18 0.59 9.38 0.00 -1.26 -2.02 121.76 132.99 1jbi s ALA 5 Ca 0.03 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.28 1jbi s ALA 5 Cb -0.13 -3.75 0.09 0.00 0.00 0.00 0.00 23.12 19.33 1jbi s ALA 5 CO -0.10 -2.21 0.82 0.96 0.00 0.00 0.00 175.76 175.23 1jbi s ILE 6 N 4.06 2.17 -0.20 0.00 -5.25 -0.89 -4.95 121.20 116.13 1jbi s ILE 6 Ca 0.39 -0.93 0.15 0.00 -0.99 0.00 0.00 60.65 59.27 1jbi s ILE 6 Cb -0.09 -2.23 0.48 0.00 2.95 0.00 0.00 42.46 43.57 1jbi s ILE 6 CO 0.27 0.00 1.39 1.07 -1.79 0.00 0.00 174.94 175.87 1jbi n THR 7 N -2.33 2.30 -2.23 8.37 5.66 -1.26 -4.28 114.28 120.51 1jbi n THR 7 Ca 0.15 -2.20 -0.20 0.00 -3.05 0.00 0.00 64.05 58.75 1jbi n THR 7 Cb 0.61 -0.27 -0.03 0.00 -1.55 0.00 0.00 70.33 69.09 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 -3.62 0.00 -1.76 0.00 7.35 -1.26 -4.89 117.46 113.28 1jbi n PHE 9 Ca -0.23 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.04 1jbi n PHE 9 Cb 0.68 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.50 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 -1.26 1.37 -3.49 -2.13 -1.04 -1.26 -4.82 114.28 101.65 1jbi n THR 10 Ca 0.00 -0.34 -0.20 0.00 -2.04 0.00 0.00 64.05 61.46 1jbi n THR 10 Cb 0.17 -1.97 -0.02 0.00 -1.82 0.00 0.00 70.33 66.68 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 -1.07 2.56 0.61 -2.82 0.52 -1.26 -0.66 118.95 116.82 1jbi s ARG 11 Ca 0.60 -1.51 0.39 0.00 -0.52 0.00 0.00 55.73 54.69 1jbi s ARG 11 Cb -0.49 -2.42 1.91 0.00 0.52 0.00 0.00 34.95 34.47 1jbi s ARG 11 CO 0.54 -0.23 2.19 0.78 0.02 0.00 0.00 175.30 178.60 1jbi h GLY 12 N 0.95 0.00 1.38 -3.53 0.00 0.13 -1.37 103.07 100.63 1jbi h GLY 12 Ca -0.41 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 1jbi h GLY 12 CO 0.55 0.00 -0.33 1.41 0.00 0.00 0.00 176.54 178.18 1jbi h LEU 13 N 0.00 0.73 -0.66 3.11 3.38 -1.25 -3.06 115.31 117.56 1jbi h LEU 13 Ca -0.00 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.53 1jbi h LEU 13 Cb 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1jbi h LEU 13 CO 0.00 1.00 -0.66 0.44 0.09 0.00 0.00 178.44 179.30 1jbi h ASP 14 N 0.59 0.04 -3.69 -0.43 3.32 -1.56 -3.36 116.42 111.34 1jbi h ASP 14 Ca 0.06 -0.03 -0.62 0.00 0.02 0.00 0.00 57.03 56.47 1jbi h ASP 14 Cb 0.84 -0.01 -0.40 0.00 0.22 0.00 0.00 39.33 39.98 1jbi h ASP 14 CO 0.07 0.69 -0.71 -0.63 -1.72 0.00 0.00 179.24 176.94 1jbi s ILE 15 N -3.53 1.73 -0.55 0.35 1.01 -1.09 -4.97 121.20 114.14 1jbi s ILE 15 Ca -0.01 -2.52 0.01 0.00 0.00 0.00 0.00 60.65 58.12 1jbi s ILE 15 Cb 0.12 -2.23 0.53 0.00 0.01 0.00 0.00 42.46 40.89 1jbi s ILE 15 CO 0.77 -0.79 1.97 0.54 0.00 0.00 0.00 174.94 177.43 1jbi n ARG 16 N 3.75 2.45 -1.50 2.79 1.74 -1.18 -4.75 116.66 119.96 1jbi n ARG 16 Ca 0.05 -3.06 -0.31 0.00 -0.77 0.00 0.00 57.85 53.76 1jbi n ARG 16 Cb 0.36 -2.20 0.08 0.00 -1.02 0.00 0.00 32.46 29.68 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 -3.48 2.42 0.20 5.56 3.01 -1.26 -4.98 119.74 121.22 1jbi s LYS 17 Ca 0.59 0.85 -0.11 0.00 -1.01 0.00 0.00 55.97 56.30 1jbi s LYS 17 Cb 0.48 -1.94 0.16 0.00 -1.01 0.00 0.00 37.83 35.52 1jbi s LYS 17 CO 0.04 -1.43 1.85 1.49 0.51 0.00 0.00 175.35 177.81 1jbi h GLU 18 N -0.96 0.85 -2.32 1.68 4.81 -1.96 -3.40 114.58 113.28 1jbi h GLU 18 Ca -0.45 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 1jbi h GLU 18 Cb 1.24 -0.19 -0.21 0.00 0.63 0.00 0.00 28.75 30.21 1jbi h GLU 18 CO 0.57 0.56 -0.00 -1.59 -0.73 0.00 0.00 179.01 177.82 1jbi s LYS 19 N -6.13 0.76 -0.03 1.92 -2.85 -1.26 -0.32 119.74 111.83 1jbi s LYS 19 Ca -0.13 0.61 -0.02 0.00 -1.00 0.00 0.00 55.97 55.43 1jbi s LYS 19 Cb 0.15 0.37 0.02 0.00 -2.06 0.00 0.00 37.83 36.30 1jbi s LYS 19 CO 0.77 -0.14 0.08 0.00 0.10 0.00 0.00 175.35 176.15 1jbi s ALA 20 N -0.15 -0.15 -0.33 0.59 0.00 -0.28 -4.99 121.76 116.44 1jbi s ALA 20 Ca -0.04 0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.04 1jbi s ALA 20 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1jbi s ALA 20 CO 0.03 -0.06 0.47 -0.51 0.00 0.00 0.00 175.76 175.69 1jbi s ASP 21 N 0.36 6.29 0.07 0.00 1.01 -1.26 -0.70 116.67 122.43 1jbi s ASP 21 Ca -0.03 -0.00 0.09 0.00 0.71 0.00 0.00 52.55 53.32 1jbi s ASP 21 Cb -0.04 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.61 1jbi s ASP 21 CO -0.01 -0.41 -0.24 0.68 0.21 0.00 0.00 175.17 175.39 1jbi s VAL 22 N 2.28 2.00 -0.17 -1.27 -7.23 -0.00 -0.83 120.40 115.18 1jbi s VAL 22 Ca 0.17 -1.43 -0.02 0.00 -1.81 0.00 0.00 61.98 58.89 1jbi s VAL 22 Cb -0.16 -1.74 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 1jbi s VAL 22 CO 0.12 0.22 -0.08 -0.76 -0.31 0.00 0.00 175.10 174.29 1jbi s LEU 23 N -1.47 2.87 -0.49 1.32 2.01 -0.85 -0.32 118.68 121.75 1jbi s LEU 23 Ca 0.11 -0.32 -0.16 0.00 0.01 0.00 0.00 54.13 53.77 1jbi s LEU 23 Cb -0.10 -1.69 0.08 0.00 0.01 0.00 0.00 46.19 44.50 1jbi s LEU 23 CO 0.03 0.09 0.42 0.00 1.01 0.00 0.00 176.35 177.91 1jbi s PRO 25 N 1.66 4.39 0.00 0.00 0.04 -1.26 -1.60 135.00 138.23 1jbi s PRO 25 Ca 0.04 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1jbi s PRO 25 Cb -0.25 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1jbi s PRO 25 CO 0.06 0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.80 1jbi n GLY 26 N 2.56 0.98 0.04 0.56 0.00 -1.26 -4.54 105.19 103.52 1jbi n GLY 26 Ca -0.05 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.17 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 1.40 -1.43 3.62 -0.02 0.00 -1.26 -3.16 105.19 104.35 1jbi n GLY 27 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.64 1.57 -1.05 0.00 0.04 -1.26 -4.83 135.00 125.84 1jbi s PRO 29 Ca 0.20 1.27 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 1jbi s PRO 29 Cb -0.02 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 1jbi s PRO 29 CO 0.88 -2.16 2.22 1.28 0.04 0.00 0.00 177.00 179.26 1jbi n LEU 30 N -3.88 5.55 -0.03 -3.56 4.77 -1.26 -4.40 117.00 114.18 1jbi n LEU 30 Ca 0.10 -3.25 -0.03 0.00 -0.03 0.00 0.00 56.01 52.80 1jbi n LEU 30 Cb 0.53 -1.23 -0.01 0.00 -2.33 0.00 0.00 43.42 40.38 1jbi n LEU 30 CO 0.52 0.68 -0.21 1.21 -1.33 0.00 0.00 177.39 178.26 1jbi n GLU 31 N 4.91 0.19 -3.65 3.23 2.13 -1.26 -4.92 120.64 121.27 1jbi n GLU 31 Ca 0.52 0.17 -0.29 0.00 0.66 0.00 0.00 57.16 58.22 1jbi n GLU 31 Cb 0.23 -0.93 -0.15 0.00 0.27 0.00 0.00 31.44 30.86 1jbi n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1jbi s GLU 32 N -1.62 0.55 -0.17 5.31 2.02 -1.26 -5.09 118.70 118.43 1jbi s GLU 32 Ca -0.09 -0.94 -0.01 0.00 0.02 0.00 0.00 54.97 53.96 1jbi s GLU 32 Cb 0.01 -1.68 0.04 0.00 0.10 0.00 0.00 34.13 32.61 1jbi s GLU 32 CO 0.13 -1.02 -0.04 -0.06 0.02 0.00 0.00 175.26 174.29 1jbi s PHE 33 N 1.70 1.67 -0.26 1.61 0.08 -1.26 -4.99 117.98 116.53 1jbi s PHE 33 Ca 0.10 -1.10 -0.00 0.00 0.12 0.00 0.00 56.93 56.06 1jbi s PHE 33 Cb -0.17 -1.30 0.04 0.00 -0.57 0.00 0.00 43.02 41.02 1jbi s PHE 33 CO -0.27 -0.62 -0.08 0.45 -0.10 0.00 0.00 175.22 174.60 1jbi s SER 34 N 1.64 4.35 0.18 1.36 0.15 -1.26 -4.68 113.70 115.43 1jbi s SER 34 Ca 0.00 -1.08 0.09 0.00 0.70 0.00 0.00 55.95 55.67 1jbi s SER 34 Cb -0.16 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.49 1jbi s SER 34 CO -0.07 -0.16 -0.14 -0.69 1.20 0.00 0.00 173.24 173.38 1jbi s VAL 35 N 1.24 2.96 -0.18 4.45 1.01 -1.18 -4.18 120.40 124.52 1jbi s VAL 35 Ca -0.03 -1.73 -0.04 0.00 0.00 0.00 0.00 61.98 60.18 1jbi s VAL 35 Cb -0.18 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.82 1jbi s VAL 35 CO -0.05 -0.09 0.07 -0.31 0.00 0.00 0.00 175.10 174.72 1jbi s TYR 36 N -1.64 0.55 0.00 5.22 1.51 -1.26 -1.99 117.35 119.74 1jbi s TYR 36 Ca 0.23 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1jbi s TYR 36 Cb -0.09 -0.83 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1jbi s TYR 36 CO 0.13 -0.55 0.00 0.41 -1.11 0.00 0.00 175.55 174.43 1jbi n GLY 37 N 5.18 -1.86 3.90 0.71 0.00 -0.44 -0.74 105.19 111.95 1jbi n GLY 37 Ca -0.08 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.60 6.47 0.00 1.61 4.22 -1.25 -4.22 114.94 120.18 1jbi s ASN 38 Ca 0.00 0.53 0.00 0.00 -2.14 0.00 0.00 52.86 51.25 1jbi s ASN 38 Cb 0.00 -2.07 0.00 0.00 1.28 0.00 0.00 41.25 40.46 1jbi s ASN 38 CO 0.00 0.10 0.00 -0.38 -2.04 0.00 0.00 177.10 174.78 1jbi n ILE 39 N 0.26 0.00 -2.91 0.54 2.08 -1.26 -4.69 119.36 113.39 1jbi n ILE 39 Ca -0.04 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 62.84 1jbi n ILE 39 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.37 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 4.42 -0.37 1.39 1.01 -1.26 -4.34 120.40 121.26 1jbi s VAL 40 Ca 0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 1jbi s VAL 40 Cb 0.00 -4.63 0.01 0.00 0.00 0.00 0.00 36.38 31.76 1jbi s VAL 40 CO 0.00 -1.36 0.84 -0.31 0.00 0.00 0.00 175.10 174.28 1jbi s TYR 41 N 3.79 3.10 0.69 5.22 2.02 0.68 -4.04 117.35 128.80 1jbi s TYR 41 Ca 0.21 0.64 -0.16 0.00 -0.37 0.00 0.00 57.07 57.39 1jbi s TYR 41 Cb -0.18 -3.51 0.02 0.00 -0.40 0.00 0.00 41.96 37.89 1jbi s TYR 41 CO 0.10 -0.77 1.19 0.00 -1.57 0.00 0.00 175.55 174.50 1jbi s ALA 42 N 3.26 2.27 0.38 3.71 0.00 0.09 -0.40 121.76 131.06 1jbi s ALA 42 Ca 0.34 0.83 0.18 0.00 0.00 0.00 0.00 51.96 53.32 1jbi s ALA 42 Cb -0.13 -3.43 1.14 0.00 0.00 0.00 0.00 23.12 20.70 1jbi s ALA 42 CO 0.18 -1.62 1.69 1.03 0.00 0.00 0.00 175.76 177.04 1jbi h SER 43 N -0.01 0.46 0.34 0.00 0.87 -1.65 -0.74 113.55 112.81 1jbi h SER 43 Ca -0.48 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1jbi h SER 43 Cb 1.29 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1jbi h SER 43 CO 0.52 -0.05 0.00 1.62 -0.53 0.00 0.00 176.83 178.38 1jbi h VAL 44 N 0.32 0.00 -3.92 2.23 3.04 -1.90 0.45 116.25 116.48 1jbi h VAL 44 Ca 0.70 -0.12 -0.53 0.00 -1.01 0.00 0.00 66.70 65.74 1jbi h VAL 44 Cb 1.77 0.79 0.08 0.00 -2.01 0.00 0.00 31.29 31.92 1jbi h VAL 44 CO -0.46 0.00 0.64 -0.44 -1.01 0.00 0.00 177.57 176.30 1jbi s SER 45 N -4.37 6.49 0.61 3.17 0.01 -0.29 -4.72 113.70 114.61 1jbi s SER 45 Ca -0.00 2.71 -0.19 0.00 1.31 0.00 0.00 55.95 59.78 1jbi s SER 45 Cb 0.08 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1jbi s SER 45 CO 0.32 -0.73 1.29 -0.55 0.41 0.00 0.00 173.24 173.98 1jbi s SER 46 N -0.58 4.86 0.17 2.44 0.15 -1.26 -1.37 113.70 118.10 1jbi s SER 46 Ca 0.53 2.61 -0.12 0.00 0.70 0.00 0.00 55.95 59.68 1jbi s SER 46 Cb -0.40 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 61.35 1jbi s SER 46 CO 0.52 -1.83 1.69 0.40 1.20 0.00 0.00 173.24 175.21 1jbi h ILE 47 N 0.81 1.24 0.34 6.45 2.04 -1.18 0.72 117.51 127.94 1jbi h ILE 47 Ca -0.51 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 1jbi h ILE 47 Cb 1.32 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1jbi h ILE 47 CO 0.54 0.31 -0.16 0.00 0.00 0.00 0.00 178.15 178.84 1jbi h GLY 49 N -0.66 0.87 0.99 0.00 0.00 -1.89 0.14 103.07 102.52 1jbi h GLY 49 Ca -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1jbi h GLY 49 CO 0.08 -0.09 -0.18 0.00 0.00 0.00 0.00 176.54 176.34 1jbi h ALA 50 N 1.48 -0.51 -0.55 3.60 0.00 -0.86 -0.15 119.26 122.28 1jbi h ALA 50 Ca 0.34 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1jbi h ALA 50 Cb 0.49 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1jbi h ALA 50 CO -0.39 -0.78 0.12 0.00 0.00 0.00 0.00 179.25 178.20 1jbi h ALA 51 N 0.11 0.73 -0.43 0.00 0.00 0.05 0.21 119.26 119.91 1jbi h ALA 51 Ca -0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1jbi h ALA 51 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1jbi h ALA 51 CO 0.08 0.44 -0.01 0.28 0.00 0.00 0.00 179.25 180.05 1jbi h VAL 52 N 0.79 1.26 -0.29 0.00 2.07 -0.86 -2.65 116.25 116.56 1jbi h VAL 52 Ca 0.17 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1jbi h VAL 52 Cb 0.37 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1jbi h VAL 52 CO 0.01 0.36 -0.12 -0.74 0.02 0.00 0.00 177.57 177.09 1jbi h HIS 53 N 0.60 0.54 0.00 1.57 6.17 -0.65 -0.70 115.15 122.68 1jbi h HIS 53 Ca 0.12 -0.08 -0.01 0.00 0.71 0.00 0.00 60.37 61.11 1jbi h HIS 53 Cb 0.50 -0.14 -0.00 0.00 2.52 0.00 0.00 27.41 30.29 1jbi h HIS 53 CO 0.04 0.61 -0.06 -0.09 0.71 0.00 0.00 177.93 179.14 1jbi h ARG 54 N 0.46 0.00 -2.22 5.26 9.65 -0.53 -3.44 114.38 123.56 1jbi h ARG 54 Ca 0.09 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.92 1jbi h ARG 54 Cb 0.50 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.10 1jbi h ARG 54 CO 0.03 0.06 -0.09 0.41 2.80 0.00 0.00 179.97 183.18 1jbi n GLY 55 N -0.85 0.46 0.57 2.80 0.00 -0.27 -4.99 105.19 102.91 1jbi n GLY 55 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.76 0.00 -3.42 1.61 0.31 -1.12 -5.06 118.33 108.89 1jbi n VAL 56 Ca -0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.04 1jbi n VAL 56 Cb 0.52 -0.72 -0.02 0.00 -0.91 0.00 0.00 33.84 32.71 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 -1.83 5.09 0.63 2.52 -4.36 -1.24 -5.06 121.20 116.95 1jbi s ILE 57 Ca 0.00 -0.24 0.03 0.00 -0.26 0.00 0.00 60.65 60.18 1jbi s ILE 57 Cb 0.00 -3.79 0.09 0.00 1.25 0.00 0.00 42.46 40.01 1jbi s ILE 57 CO 0.00 -0.39 0.87 -0.44 0.24 0.00 0.00 174.94 175.22 1jbi s SER 58 N -3.52 4.81 -1.24 4.36 0.01 -1.26 -4.61 113.70 112.25 1jbi s SER 58 Ca 0.41 -0.44 -0.17 0.00 1.31 0.00 0.00 55.95 57.06 1jbi s SER 58 Cb -0.10 -0.13 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 1jbi s SER 58 CO 0.32 -1.52 2.04 -3.20 0.41 0.00 0.00 173.24 171.30 1jbi n ASN 59 N -2.52 3.67 0.00 2.44 4.05 -1.26 -3.39 115.26 118.25 1jbi n ASN 59 Ca 0.13 -2.80 0.00 0.00 0.45 0.00 0.00 54.58 52.36 1jbi n ASN 59 Cb 0.61 -1.55 0.00 0.00 1.23 0.00 0.00 39.78 40.07 1jbi n ASN 59 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1jbi n SER 60 N 7.51 0.00 -0.25 1.20 2.88 -0.90 -4.78 113.62 119.27 1jbi n SER 60 Ca 0.50 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 58.06 1jbi n SER 60 Cb 0.41 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 -1.98 0.00 0.46 0.00 -1.19 -4.07 105.19 98.42 1jbi n GLY 61 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.60 1.04 3.73 -0.02 0.00 -0.63 -4.80 105.19 103.91 1jbi n GLY 62 Ca 0.00 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 1jbi n GLY 62 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jbi s PRO 63 N -1.01 2.18 0.04 1.61 0.02 -1.26 -1.31 135.00 135.27 1jbi s PRO 63 Ca 0.00 1.71 -0.14 0.00 0.02 0.00 0.00 61.00 62.59 1jbi s PRO 63 Cb 0.00 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.70 1jbi s PRO 63 CO 0.00 -1.79 0.31 0.08 -0.33 0.00 0.00 177.00 175.26 1jbi s VAL 64 N -2.04 0.08 -0.25 3.83 1.01 0.56 -4.91 120.40 118.69 1jbi s VAL 64 Ca 0.73 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1jbi s VAL 64 Cb -0.28 -0.93 0.06 0.00 0.00 0.00 0.00 36.38 35.24 1jbi s VAL 64 CO 0.45 -0.37 -0.04 -0.60 0.00 0.00 0.00 175.10 174.54 1jbi s ARG 65 N -2.50 1.62 0.26 2.72 3.52 0.05 -0.82 118.95 123.79 1jbi s ARG 65 Ca -0.05 -1.09 -0.21 0.00 -0.13 0.00 0.00 55.73 54.25 1jbi s ARG 65 Cb -0.01 -2.63 -0.09 0.00 -1.56 0.00 0.00 34.95 30.66 1jbi s ARG 65 CO -0.03 -0.64 0.79 0.08 -0.81 0.00 0.00 175.30 174.69 1jbi s VAL 66 N 1.35 4.47 -0.04 7.11 1.01 0.12 -1.29 120.40 133.13 1jbi s VAL 66 Ca -0.04 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.38 1jbi s VAL 66 Cb -0.19 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1jbi s VAL 66 CO -0.07 0.16 -0.11 -0.31 0.00 0.00 0.00 175.10 174.77 1jbi s TYR 67 N -1.58 1.22 0.76 5.22 2.02 -0.29 -1.13 117.35 123.57 1jbi s TYR 67 Ca 0.46 -0.35 -0.15 0.00 -0.37 0.00 0.00 57.07 56.67 1jbi s TYR 67 Cb -0.17 -0.86 0.05 0.00 -0.40 0.00 0.00 41.96 40.58 1jbi s TYR 67 CO 0.21 -0.15 1.23 -1.54 -1.57 0.00 0.00 175.55 173.74 1jbi s SER 68 N 0.25 3.90 0.02 2.29 1.04 0.56 -0.96 113.70 120.81 1jbi s SER 68 Ca -0.05 2.44 0.02 0.00 0.48 0.00 0.00 55.95 58.83 1jbi s SER 68 Cb -0.11 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.40 1jbi s SER 68 CO 0.01 -2.47 -0.06 -0.22 0.98 0.00 0.00 173.24 171.48 1jbi s LEU 69 N -5.31 2.16 0.99 2.42 0.20 -0.40 -4.64 118.68 114.11 1jbi s LEU 69 Ca 0.76 -0.38 -0.11 0.00 0.69 0.00 0.00 54.13 55.09 1jbi s LEU 69 Cb -0.31 -0.18 0.19 0.00 -0.43 0.00 0.00 46.19 45.46 1jbi s LEU 69 CO 0.47 -0.11 1.10 -2.16 -0.29 0.00 0.00 176.35 175.36 1jbi s PRO 70 N -1.03 0.41 -0.08 0.98 0.04 -1.26 -3.11 135.00 130.94 1jbi s PRO 70 Ca -0.06 1.29 -0.33 0.00 0.04 0.00 0.00 61.00 61.95 1jbi s PRO 70 Cb -0.07 -1.67 -0.10 0.00 0.04 0.00 0.00 34.50 32.69 1jbi s PRO 70 CO 0.00 -2.97 1.95 0.41 0.04 0.00 0.00 177.00 176.44 1jbi n GLY 71 N 0.34 1.50 3.49 0.56 0.00 -1.26 -4.12 105.19 105.70 1jbi n GLY 71 Ca 0.09 0.85 -0.23 0.00 0.00 0.00 0.00 46.02 46.72 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 4.48 1.69 0.33 1.61 0.52 -1.06 -4.92 118.95 121.60 1jbi s ARG 72 Ca 0.93 -1.89 -0.02 0.00 -0.52 0.00 0.00 55.73 54.23 1jbi s ARG 72 Cb -0.60 -1.31 -0.00 0.00 0.52 0.00 0.00 34.95 33.56 1jbi s ARG 72 CO 0.48 0.01 0.43 -1.83 0.02 0.00 0.00 175.30 174.40 1jbi s GLU 73 N -3.73 1.83 -1.28 3.54 1.03 -1.26 -2.28 118.70 116.55 1jbi s GLU 73 Ca 0.32 -1.76 -0.04 0.00 0.03 0.00 0.00 54.97 53.53 1jbi s GLU 73 Cb 0.05 0.42 -0.01 0.00 -0.80 0.00 0.00 34.13 33.80 1jbi s GLU 73 CO 0.14 -0.74 0.68 0.09 -1.33 0.00 0.00 175.26 174.10 1jbi n ASN 74 N -1.30 -1.99 -3.74 0.83 4.13 -1.26 -4.96 115.26 106.97 1jbi n ASN 74 Ca 0.02 -0.88 -0.30 0.00 1.68 0.00 0.00 54.58 55.10 1jbi n ASN 74 Cb 0.62 -3.85 0.24 0.00 -1.54 0.00 0.00 39.78 35.24 1jbi n ASN 74 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1jbi s TYR 75 N -3.67 0.56 0.32 3.10 1.51 -1.26 -5.07 117.35 112.84 1jbi s TYR 75 Ca 0.10 0.32 0.03 0.00 -1.01 0.00 0.00 57.07 56.51 1jbi s TYR 75 Cb -0.03 -3.79 -0.04 0.00 -0.11 0.00 0.00 41.96 37.99 1jbi s TYR 75 CO 0.83 -3.62 0.14 -1.12 -1.11 0.00 0.00 175.55 170.67 1jbi s SER 76 N -4.37 1.84 -0.03 2.29 0.01 -1.26 -4.78 113.70 107.39 1jbi s SER 76 Ca 0.74 -1.55 0.01 0.00 1.31 0.00 0.00 55.95 56.46 1jbi s SER 76 Cb -0.05 0.34 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1jbi s SER 76 CO 0.55 -0.85 -0.01 -0.44 0.41 0.00 0.00 173.24 172.90 1jbi s SER 77 N -3.43 0.53 -0.01 2.44 0.01 -1.26 -2.60 113.70 109.39 1jbi s SER 77 Ca 0.34 -0.05 -0.16 0.00 1.31 0.00 0.00 55.95 57.39 1jbi s SER 77 Cb 0.05 -0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.03 1jbi s SER 77 CO 0.16 -0.09 0.33 -0.69 0.41 0.00 0.00 173.24 173.37 1jbi s VAL 78 N 0.98 0.06 -0.07 3.43 1.01 -1.05 -4.97 120.40 119.79 1jbi s VAL 78 Ca -0.10 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1jbi s VAL 78 Cb -0.14 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1jbi s VAL 78 CO -0.01 -0.26 0.07 -0.62 0.00 0.00 0.00 175.10 174.27 1jbi s ASP 79 N -1.43 5.70 -0.11 3.32 -1.08 -1.26 -0.88 116.67 120.92 1jbi s ASP 79 Ca -0.12 0.24 -0.14 0.00 -0.52 0.00 0.00 52.55 52.01 1jbi s ASP 79 Cb -0.04 -1.69 0.03 0.00 -1.46 0.00 0.00 42.92 39.76 1jbi s ASP 79 CO 0.03 0.36 0.36 0.00 0.52 0.00 0.00 175.17 176.44 1jbi s ALA 80 N -1.02 -0.90 -1.20 3.66 0.00 -0.30 -4.89 121.76 117.10 1jbi s ALA 80 Ca 0.17 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1jbi s ALA 80 Cb -0.12 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1jbi s ALA 80 CO 0.06 -0.19 0.00 0.09 0.00 0.00 0.00 175.76 175.72 1jbi n ASN 81 N 2.54 -3.52 -0.25 0.00 3.02 -1.26 -1.11 115.26 114.68 1jbi n ASN 81 Ca -0.15 0.26 -0.03 0.00 -0.03 0.00 0.00 54.58 54.63 1jbi n ASN 81 Cb 0.57 -3.17 -0.01 0.00 -0.61 0.00 0.00 39.78 36.55 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 0.63 3.41 7.41 0.00 -1.26 -5.04 105.19 109.87 1jbi n GLY 82 Ca -0.13 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.12 2.94 -0.16 -0.61 1.01 -0.27 -5.10 121.20 116.90 1jbi s ILE 83 Ca 0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 1jbi s ILE 83 Cb 0.00 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1jbi s ILE 83 CO 0.00 0.56 0.07 -1.58 0.00 0.00 0.00 174.94 173.99 1jbi s GLN 84 N -0.25 3.80 -0.11 2.79 2.00 -1.26 -1.15 119.66 125.48 1jbi s GLN 84 Ca 0.01 -0.32 -0.04 0.00 -2.00 0.00 0.00 55.36 53.01 1jbi s GLN 84 Cb -0.13 -3.17 -0.04 0.00 0.80 0.00 0.00 33.01 30.47 1jbi s GLN 84 CO 0.03 0.39 0.06 -1.54 -0.50 0.00 0.00 175.29 173.73 1jbi s SER 85 N 0.03 5.73 -0.02 6.67 1.04 -0.06 -3.08 113.70 124.02 1jbi s SER 85 Ca 0.06 0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.79 1jbi s SER 85 Cb -0.12 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1jbi s SER 85 CO 0.01 0.38 -0.10 0.00 0.98 0.00 0.00 173.24 174.50 1jbi s GLN 86 N -0.87 1.05 0.77 4.02 -2.07 -0.84 -2.52 119.66 119.20 1jbi s GLN 86 Ca 0.13 -0.36 -0.15 0.00 -1.82 0.00 0.00 55.36 53.17 1jbi s GLN 86 Cb -0.12 -0.97 0.06 0.00 -1.09 0.00 0.00 33.01 30.89 1jbi s GLN 86 CO 0.03 0.15 1.23 0.00 -1.32 0.00 0.00 175.29 175.38 1jbi n MET 87 N 3.19 0.44 -4.16 9.60 0.00 -1.07 -1.33 117.12 123.79 1jbi n MET 87 Ca -0.17 0.22 -0.25 0.00 0.00 0.00 0.00 57.70 57.50 1jbi n MET 87 Cb 0.54 -2.47 -0.06 0.00 0.00 0.00 0.00 33.22 31.23 1jbi n MET 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1jbi n LEU 88 N -2.92 0.00 -4.08 3.17 4.32 -1.26 -4.89 117.00 111.33 1jbi n LEU 88 Ca 0.14 -2.69 -0.39 0.00 -0.02 0.00 0.00 56.01 53.05 1jbi n LEU 88 Cb 0.50 0.61 -0.03 0.00 -1.62 0.00 0.00 43.42 42.88 1jbi n LEU 88 CO 0.48 -0.40 0.63 -1.54 -1.22 0.00 0.00 177.39 175.34 1jbi n SER 89 N -1.44 5.04 -3.26 -1.43 3.41 -1.26 -4.51 113.62 110.18 1jbi n SER 89 Ca -0.11 -3.20 -0.13 0.00 -0.26 0.00 0.00 58.87 55.16 1jbi n SER 89 Cb 0.53 -1.16 0.05 0.00 -0.26 0.00 0.00 64.21 63.38 1jbi n SER 89 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1jbi n ARG 90 N 2.04 -1.94 -2.75 4.33 0.63 -1.26 -4.93 116.66 112.77 1jbi n ARG 90 Ca 0.24 0.97 -0.43 0.00 -0.92 0.00 0.00 57.85 57.71 1jbi n ARG 90 Cb 0.37 -5.61 -0.03 0.00 0.45 0.00 0.00 32.46 27.63 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 -3.30 2.93 -0.01 -0.14 -0.11 -0.96 -4.92 118.94 112.42 1jbi s TRP 91 Ca 0.35 0.57 0.00 0.00 1.22 0.00 0.00 56.10 58.25 1jbi s TRP 91 Cb -0.06 -4.03 0.01 0.00 -1.50 0.00 0.00 33.47 27.89 1jbi s TRP 91 CO 0.76 -1.09 1.40 0.43 -4.62 0.00 0.00 176.95 173.83 1jbi n SER 92 N 7.27 3.94 -3.19 5.86 7.64 -1.26 -2.56 113.62 131.32 1jbi n SER 92 Ca 0.08 -2.18 0.01 0.00 1.01 0.00 0.00 58.87 57.80 1jbi n SER 92 Cb 0.48 -0.75 -0.02 0.00 -1.01 0.00 0.00 64.21 62.91 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 -2.04 0.32 -0.43 0.00 -1.26 -4.50 121.76 113.81 1jbi s ALA 93 Ca 0.01 1.65 0.03 0.00 0.00 0.00 0.00 51.96 53.65 1jbi s ALA 93 Cb 0.01 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 1jbi s ALA 93 CO 0.00 -1.33 0.11 -1.12 0.00 0.00 0.00 175.76 173.42 1jbi s SER 94 N 2.80 1.94 0.31 0.00 0.01 -1.18 -1.72 113.70 115.86 1jbi s SER 94 Ca 0.19 -1.48 -0.17 0.00 1.31 0.00 0.00 55.95 55.80 1jbi s SER 94 Cb -0.15 0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.33 1jbi s SER 94 CO -0.20 -0.78 0.69 0.72 0.41 0.00 0.00 173.24 174.08 1jbi s PHE 95 N -3.48 0.09 -0.02 2.43 -0.71 0.47 -1.28 117.98 115.48 1jbi s PHE 95 Ca 0.34 -0.59 -0.01 0.00 -1.04 0.00 0.00 56.93 55.63 1jbi s PHE 95 Cb 0.06 0.61 0.01 0.00 -1.21 0.00 0.00 43.02 42.50 1jbi s PHE 95 CO 0.15 -1.30 0.05 -0.08 -1.34 0.00 0.00 175.22 172.70 1jbi s THR 96 N -3.35 -0.01 0.09 -4.49 -1.32 -0.13 -0.23 115.64 106.20 1jbi s THR 96 Ca 0.16 0.05 0.04 0.00 -1.21 0.00 0.00 61.69 60.72 1jbi s THR 96 Cb -0.04 -0.08 -0.04 0.00 -1.51 0.00 0.00 72.50 70.82 1jbi s THR 96 CO 0.10 0.02 0.05 0.54 -2.21 0.00 0.00 174.62 173.12 1jbi s VAL 97 N 0.28 4.34 0.26 5.08 0.11 -1.26 -1.14 120.40 128.08 1jbi s VAL 97 Ca -0.02 -0.87 -0.15 0.00 -2.93 0.00 0.00 61.98 58.01 1jbi s VAL 97 Cb -0.03 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.72 1jbi s VAL 97 CO -0.01 0.10 0.54 0.42 -3.33 0.00 0.00 175.10 172.83 1jbi s THR 98 N -1.39 0.00 -0.17 5.04 -4.23 -0.42 -4.99 115.64 109.49 1jbi s THR 98 Ca 0.28 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1jbi s THR 98 Cb -0.12 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.56 1jbi s THR 98 CO 0.21 0.00 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.37 1jbi s LEU 99 N -3.00 2.38 0.00 4.79 1.43 -1.26 -0.77 118.68 122.25 1jbi s LEU 99 Ca 0.20 -0.53 0.25 0.00 -1.03 0.00 0.00 54.13 53.02 1jbi s LEU 99 Cb -0.02 -1.54 0.46 0.00 0.03 0.00 0.00 46.19 45.12 1jbi s LEU 99 CO 0.09 0.05 1.41 1.21 0.23 0.00 0.00 176.35 179.34