#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jb4 s PRO 5 N 0.00 3.69 0.29 1.64 0.02 -1.26 -4.81 135.00 134.56 1jb4 s PRO 5 Ca 0.00 1.86 0.02 0.00 0.02 0.00 0.00 61.00 62.90 1jb4 s PRO 5 Cb 0.00 -2.41 0.60 0.00 0.02 0.00 0.00 34.50 32.71 1jb4 s PRO 5 CO 0.00 -0.63 1.82 0.97 -0.33 0.00 0.00 177.00 178.83 1jb4 h ILE 6 N 1.85 0.87 0.00 2.83 -0.00 -2.05 0.26 117.51 121.26 1jb4 h ILE 6 Ca -0.50 -0.32 -0.09 0.00 -0.00 0.00 0.00 64.86 63.95 1jb4 h ILE 6 Cb 1.25 -0.16 -0.01 0.00 -0.00 0.00 0.00 36.82 37.90 1jb4 h ILE 6 CO 0.60 0.17 -0.42 4.11 -0.00 0.00 0.00 178.15 182.61 1jb4 h TRP 7 N 0.94 0.00 -0.13 2.19 5.08 -1.99 -1.90 115.95 120.13 1jb4 h TRP 7 Ca 0.52 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 60.27 1jb4 h TRP 7 Cb 0.59 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.76 1jb4 h TRP 7 CO -0.00 0.42 -0.80 1.49 -1.28 0.00 0.00 178.44 178.27 1jb4 h GLU 8 N 0.00 0.75 -0.40 0.12 4.81 -1.37 -1.26 114.58 117.22 1jb4 h GLU 8 Ca -0.00 -0.63 -0.14 0.00 -0.13 0.00 0.00 59.36 58.46 1jb4 h GLU 8 Cb 0.92 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1jb4 h GLU 8 CO 0.05 1.23 -0.28 0.37 -0.73 0.00 0.00 179.01 179.66 1jb4 h GLN 9 N 0.50 0.89 0.09 1.92 5.75 -0.98 -0.82 115.11 122.46 1jb4 h GLN 9 Ca -0.06 -0.43 -0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1jb4 h GLN 9 Cb 1.43 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.97 1jb4 h GLN 9 CO 0.16 1.08 -0.04 0.82 -2.65 0.00 0.00 178.83 178.20 1jb4 h ILE 10 N 0.71 1.14 -0.95 2.39 2.04 -1.37 -1.79 117.51 119.67 1jb4 h ILE 10 Ca 0.08 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.08 1jb4 h ILE 10 Cb 0.86 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 1jb4 h ILE 10 CO 0.08 0.21 0.63 1.23 0.00 0.00 0.00 178.15 180.30 1jb4 h GLY 11 N -0.52 1.35 0.92 5.37 0.00 -1.25 0.30 103.07 109.24 1jb4 h GLY 11 Ca -0.01 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1jb4 h GLY 11 CO 0.02 0.47 0.13 0.23 0.00 0.00 0.00 176.54 177.39 1jb4 h SER 12 N 1.27 0.46 -0.42 0.19 0.87 -1.15 -1.54 113.55 113.23 1jb4 h SER 12 Ca 0.36 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1jb4 h SER 12 Cb -0.11 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 1jb4 h SER 12 CO -0.09 0.50 0.20 -1.28 -0.53 0.00 0.00 176.83 175.64 1jb4 h SER 13 N 0.39 0.55 -0.16 6.23 0.87 -0.86 -1.77 113.55 118.79 1jb4 h SER 13 Ca 0.11 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1jb4 h SER 13 Cb 0.19 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1jb4 h SER 13 CO -0.01 0.52 0.08 0.15 -0.53 0.00 0.00 176.83 177.04 1jb4 h PHE 14 N 0.53 0.14 -0.40 2.24 3.57 -0.78 -0.41 116.94 121.84 1jb4 h PHE 14 Ca 0.14 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1jb4 h PHE 14 Cb 0.12 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 1jb4 h PHE 14 CO -0.01 0.08 0.17 0.82 -2.23 0.00 0.00 178.31 177.14 1jb4 h ILE 15 N 0.17 0.92 -0.24 1.41 5.03 -1.18 0.18 117.51 123.81 1jb4 h ILE 15 Ca 0.07 -0.12 0.06 0.00 -0.12 0.00 0.00 64.86 64.74 1jb4 h ILE 15 Cb 0.01 0.54 -0.06 0.00 -3.03 0.00 0.00 36.82 34.29 1jb4 h ILE 15 CO -0.05 0.06 -0.15 -1.13 -0.68 0.00 0.00 178.15 176.21 1jb4 h ASN 16 N 0.35 -0.49 -0.73 1.72 -0.00 -0.96 -0.89 115.58 114.58 1jb4 h ASN 16 Ca 0.18 0.11 -0.01 0.00 -0.00 0.00 0.00 56.30 56.57 1jb4 h ASN 16 Cb 0.13 0.26 -0.03 0.00 -0.00 0.00 0.00 38.32 38.67 1jb4 h ASN 16 CO -0.16 -0.19 0.41 -0.74 -0.00 0.00 0.00 177.43 176.76 1jb4 h HIS 17 N -0.13 0.99 -0.41 0.67 2.76 -0.46 -1.51 115.15 117.06 1jb4 h HIS 17 Ca 0.13 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1jb4 h HIS 17 Cb 0.33 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 1jb4 h HIS 17 CO -0.32 0.69 0.23 -0.92 -1.30 0.00 0.00 177.93 176.31 1jb4 h TYR 18 N 1.01 0.56 0.00 5.26 3.20 -0.01 -1.69 116.97 125.30 1jb4 h TYR 18 Ca 0.26 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.01 1jb4 h TYR 18 Cb 0.02 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1jb4 h TYR 18 CO -0.00 0.42 -0.53 1.88 -1.64 0.00 0.00 178.16 178.29 1jb4 h TYR 19 N 0.53 0.00 -0.10 -3.82 0.99 -1.06 -0.22 116.97 113.28 1jb4 h TYR 19 Ca 0.14 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.86 1jb4 h TYR 19 Cb 0.05 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.77 1jb4 h TYR 19 CO -0.03 0.53 0.03 1.96 -0.00 0.00 0.00 178.16 180.66 1jb4 h GLN 20 N 0.00 0.16 -0.40 4.88 4.20 -1.07 -1.12 115.11 121.76 1jb4 h GLN 20 Ca -0.01 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1jb4 h GLN 20 Cb 1.21 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 1jb4 h GLN 20 CO 0.07 0.33 0.09 -0.07 -0.67 0.00 0.00 178.83 178.58 1jb4 h LEU 21 N -0.03 0.62 -0.94 1.46 4.07 -1.23 -1.10 115.31 118.16 1jb4 h LEU 21 Ca 0.03 -0.24 -0.03 0.00 0.08 0.00 0.00 57.88 57.72 1jb4 h LEU 21 Cb 0.23 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 1jb4 h LEU 21 CO -0.00 0.70 0.33 0.15 -1.08 0.00 0.00 178.44 178.54 1jb4 h PHE 22 N 0.51 1.10 0.00 1.13 3.57 -0.96 0.61 116.94 122.91 1jb4 h PHE 22 Ca 0.13 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1jb4 h PHE 22 Cb 0.32 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1jb4 h PHE 22 CO 0.02 0.82 -0.45 -0.25 -2.23 0.00 0.00 178.31 176.22 1jb4 n ASP 23 N -4.30 0.45 0.00 0.41 10.43 -0.43 -4.20 116.55 118.91 1jb4 n ASP 23 Ca 0.07 -0.16 0.00 0.00 2.57 0.00 0.00 54.79 57.27 1jb4 n ASP 23 Cb 0.16 0.16 0.00 0.00 1.84 0.00 0.00 41.12 43.28 1jb4 n ASP 23 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1jb4 n ASN 24 N -1.51 1.24 -2.69 -2.24 3.02 -0.42 -4.71 115.26 107.95 1jb4 n ASN 24 Ca 0.06 -0.08 -0.06 0.00 -0.03 0.00 0.00 54.58 54.47 1jb4 n ASN 24 Cb 0.34 0.40 0.08 0.00 -0.61 0.00 0.00 39.78 39.99 1jb4 n ASN 24 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1jb4 n ASP 25 N -0.53 -1.70 0.20 6.41 4.64 0.18 -5.02 116.55 120.74 1jb4 n ASP 25 Ca 0.00 -2.38 0.10 0.00 -1.38 0.00 0.00 54.79 51.13 1jb4 n ASP 25 Cb 0.00 1.18 0.52 0.00 -1.04 0.00 0.00 41.12 41.78 1jb4 n ASP 25 CO 0.00 0.00 0.00 0.08 -0.82 0.00 0.00 177.20 176.46 1jb4 h ARG 26 N 1.95 0.00 0.00 -0.67 0.11 -0.69 0.73 114.38 115.81 1jb4 h ARG 26 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 1jb4 h ARG 26 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1jb4 h ARG 26 CO -0.07 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.25 1jb4 n THR 27 N -2.29 0.12 1.09 0.08 -2.24 -1.26 -1.99 114.28 107.78 1jb4 n THR 27 Ca -0.01 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1jb4 n THR 27 Cb 0.27 -0.59 0.17 0.00 -2.10 0.00 0.00 70.33 68.08 1jb4 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jb4 n GLN 28 N -1.24 2.04 -0.29 -0.78 1.13 0.25 -4.41 117.38 114.08 1jb4 n GLN 28 Ca 0.14 -1.61 -0.06 0.00 -1.94 0.00 0.00 57.00 53.53 1jb4 n GLN 28 Cb 0.19 -1.47 0.06 0.00 0.11 0.00 0.00 30.24 29.14 1jb4 n GLN 28 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1jb4 h LEU 29 N 3.93 1.11 -1.50 1.08 3.38 -1.54 -2.65 115.31 119.11 1jb4 h LEU 29 Ca 0.00 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.87 1jb4 h LEU 29 Cb 0.87 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1jb4 h LEU 29 CO 0.00 0.99 0.62 1.23 0.09 0.00 0.00 178.44 181.37 1jb4 h GLY 30 N 1.16 0.00 2.00 0.83 0.00 -1.79 0.36 103.07 105.63 1jb4 h GLY 30 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1jb4 h GLY 30 CO -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.48 1jb4 h ALA 31 N 1.03 1.11 -0.16 3.60 0.00 -1.80 -1.93 119.26 121.11 1jb4 h ALA 31 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jb4 h ALA 31 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1jb4 h ALA 31 CO -0.00 0.05 0.00 0.44 0.00 0.00 0.00 179.25 179.74 1jb4 n ILE 32 N -3.30 0.18 -3.86 0.00 -6.64 0.13 -4.95 119.36 100.92 1jb4 n ILE 32 Ca -0.02 -0.53 -0.25 0.00 -1.77 0.00 0.00 62.75 60.19 1jb4 n ILE 32 Cb 0.19 1.08 -0.03 0.00 -1.44 0.00 0.00 39.64 39.45 1jb4 n ILE 32 CO 0.00 0.00 0.00 -0.31 -1.77 0.00 0.00 176.55 174.47 1jb4 s TYR 33 N -1.82 2.08 0.26 4.28 1.51 -0.73 -0.37 117.35 122.58 1jb4 s TYR 33 Ca 0.33 -0.71 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1jb4 s TYR 33 Cb 0.21 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 1jb4 s TYR 33 CO 0.31 -0.25 0.14 0.96 -1.11 0.00 0.00 175.55 175.59 1jb4 s ILE 34 N -2.67 0.30 0.22 2.71 -4.36 -1.26 -4.91 121.20 111.23 1jb4 s ILE 34 Ca 0.38 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.68 1jb4 s ILE 34 Cb -0.01 -2.55 0.20 0.00 1.25 0.00 0.00 42.46 41.35 1jb4 s ILE 34 CO 0.23 0.00 1.67 0.44 0.24 0.00 0.00 174.94 177.52 1jb4 h ASP 35 N 2.37 -0.15 -0.03 4.36 3.45 -1.98 -1.57 116.42 122.87 1jb4 h ASP 35 Ca -0.35 0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.25 1jb4 h ASP 35 Cb 1.25 0.23 0.00 0.00 -0.56 0.00 0.00 39.33 40.25 1jb4 h ASP 35 CO 0.54 -0.08 0.00 0.00 -1.57 0.00 0.00 179.24 178.14 1jb4 n ALA 36 N -2.73 2.62 -1.41 3.45 0.00 -1.26 -1.82 120.51 119.36 1jb4 n ALA 36 Ca 0.10 -0.25 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 1jb4 n ALA 36 Cb 0.38 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.59 1jb4 n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1jb4 s SER 37 N -1.76 4.35 0.04 0.00 0.01 -0.59 -4.68 113.70 111.07 1jb4 s SER 37 Ca 0.36 2.34 0.05 0.00 1.31 0.00 0.00 55.95 60.02 1jb4 s SER 37 Cb 0.17 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 1jb4 s SER 37 CO 0.29 -2.16 -0.15 0.00 0.41 0.00 0.00 173.24 171.63 1jb4 s LEU 39 N -1.22 1.62 -0.29 0.00 2.96 -0.53 -0.83 118.68 120.40 1jb4 s LEU 39 Ca 0.02 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1jb4 s LEU 39 Cb -0.08 -0.61 0.08 0.00 0.50 0.00 0.00 46.19 46.08 1jb4 s LEU 39 CO 0.01 0.03 0.01 -0.89 -1.32 0.00 0.00 176.35 174.19 1jb4 s THR 40 N 0.52 1.65 -0.31 3.68 2.01 -0.46 0.42 115.64 123.16 1jb4 s THR 40 Ca -0.09 -1.64 -0.11 0.00 0.31 0.00 0.00 61.69 60.17 1jb4 s THR 40 Cb -0.12 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1jb4 s THR 40 CO 0.01 -0.38 0.18 0.86 -0.69 0.00 0.00 174.62 174.60 1jb4 s TRP 41 N 1.27 3.19 -1.59 4.92 -0.11 -0.02 -1.47 118.94 125.14 1jb4 s TRP 41 Ca 0.03 -0.32 -0.05 0.00 1.22 0.00 0.00 56.10 56.98 1jb4 s TRP 41 Cb -0.19 -2.38 0.05 0.00 -1.50 0.00 0.00 33.47 29.45 1jb4 s TRP 41 CO -0.11 -0.36 0.25 0.39 -4.62 0.00 0.00 176.95 172.50 1jb4 n GLU 42 N 5.03 -1.58 0.00 5.86 1.02 -0.20 -0.66 120.64 130.10 1jb4 n GLU 42 Ca -0.14 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1jb4 n GLU 42 Cb 0.50 -4.09 0.00 0.00 -0.02 0.00 0.00 31.44 27.83 1jb4 n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jb4 n GLY 43 N -2.12 3.11 3.74 0.62 0.00 -1.26 -5.04 105.19 104.24 1jb4 n GLY 43 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1jb4 n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jb4 s GLN 44 N -0.33 4.46 -0.19 1.61 2.00 0.16 -5.04 119.66 122.33 1jb4 s GLN 44 Ca 0.00 0.98 -0.15 0.00 -2.00 0.00 0.00 55.36 54.20 1jb4 s GLN 44 Cb 0.00 -3.38 -0.04 0.00 0.80 0.00 0.00 33.01 30.38 1jb4 s GLN 44 CO 0.00 0.23 0.34 -0.65 -0.50 0.00 0.00 175.29 174.71 1jb4 s GLN 45 N 0.18 4.19 -0.47 1.67 -0.21 -1.26 -0.84 119.66 122.91 1jb4 s GLN 45 Ca 0.38 0.12 0.03 0.00 0.02 0.00 0.00 55.36 55.91 1jb4 s GLN 45 Cb -0.19 -3.50 0.13 0.00 1.00 0.00 0.00 33.01 30.44 1jb4 s GLN 45 CO 0.21 0.05 0.24 -0.06 -2.12 0.00 0.00 175.29 173.62 1jb4 s PHE 46 N 1.03 2.58 -0.14 0.91 0.40 0.17 -5.01 117.98 117.93 1jb4 s PHE 46 Ca 0.17 -2.79 -0.22 0.00 -0.60 0.00 0.00 56.93 53.49 1jb4 s PHE 46 Cb -0.14 -2.35 -0.03 0.00 0.51 0.00 0.00 43.02 41.01 1jb4 s PHE 46 CO 0.07 -0.77 0.69 -0.65 0.70 0.00 0.00 175.22 175.25 1jb4 s GLN 47 N 0.07 4.32 0.00 0.44 -0.21 -1.26 -1.45 119.66 121.57 1jb4 s GLN 47 Ca 0.17 0.78 0.00 0.00 0.02 0.00 0.00 55.36 56.33 1jb4 s GLN 47 Cb -0.25 -3.52 0.00 0.00 1.00 0.00 0.00 33.01 30.24 1jb4 s GLN 47 CO -0.00 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.46 1jb4 n GLY 48 N 3.44 2.46 0.15 3.09 0.00 -0.48 -4.61 105.19 109.23 1jb4 n GLY 48 Ca -0.01 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 1jb4 n GLY 48 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jb4 h LYS 49 N 0.00 0.38 -0.43 1.61 3.64 -1.49 -2.31 116.57 117.97 1jb4 h LYS 49 Ca 0.00 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1jb4 h LYS 49 Cb 0.00 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.66 1jb4 h LYS 49 CO 0.00 0.25 -0.04 0.00 -2.27 0.00 0.00 179.45 177.39 1jb4 h ALA 50 N 1.15 0.36 -0.44 5.00 0.00 -1.89 0.27 119.26 123.70 1jb4 h ALA 50 Ca 0.13 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1jb4 h ALA 50 Cb 0.01 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1jb4 h ALA 50 CO -0.06 -0.42 0.24 0.00 0.00 0.00 0.00 179.25 179.01 1jb4 h ALA 51 N 1.40 0.56 0.49 0.00 0.00 -1.79 -0.99 119.26 118.94 1jb4 h ALA 51 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1jb4 h ALA 51 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jb4 h ALA 51 CO -0.39 0.09 -0.35 0.82 0.00 0.00 0.00 179.25 179.42 1jb4 h ILE 52 N 0.57 0.28 -0.96 0.00 2.04 -0.71 0.12 117.51 118.86 1jb4 h ILE 52 Ca 0.15 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.16 1jb4 h ILE 52 Cb 0.06 0.28 -0.09 0.00 -0.74 0.00 0.00 36.82 36.32 1jb4 h ILE 52 CO -0.02 0.00 0.58 0.58 0.00 0.00 0.00 178.15 179.28 1jb4 h VAL 53 N -0.82 0.83 -0.10 1.67 2.07 -0.41 0.10 116.25 119.58 1jb4 h VAL 53 Ca -0.05 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1jb4 h VAL 53 Cb 0.69 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1jb4 h VAL 53 CO 0.02 0.15 0.01 -0.08 0.02 0.00 0.00 177.57 177.70 1jb4 h GLU 54 N 0.85 0.17 0.30 1.57 4.81 -0.72 -2.34 114.58 119.21 1jb4 h GLU 54 Ca 0.51 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.67 1jb4 h GLU 54 Cb 0.62 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1jb4 h GLU 54 CO -0.31 0.40 -0.14 -0.22 -0.73 0.00 0.00 179.01 178.00 1jb4 h LYS 55 N -0.08 -0.38 -0.54 1.92 1.63 -0.04 -2.01 116.57 117.07 1jb4 h LYS 55 Ca 0.03 0.03 0.12 0.00 -0.85 0.00 0.00 60.65 59.97 1jb4 h LYS 55 Cb 0.31 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.00 1jb4 h LYS 55 CO 0.00 -0.20 0.37 -0.07 -3.45 0.00 0.00 179.45 176.10 1jb4 h LEU 56 N -0.47 0.20 0.00 5.20 3.38 -0.86 -0.68 115.31 122.07 1jb4 h LEU 56 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jb4 h LEU 56 Cb 0.36 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1jb4 h LEU 56 CO 0.07 0.12 -0.31 0.28 0.09 0.00 0.00 178.44 178.69 1jb4 h SER 57 N 0.22 0.00 0.14 -0.43 0.02 -1.18 -3.28 113.55 109.05 1jb4 h SER 57 Ca 0.25 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1jb4 h SER 57 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1jb4 h SER 57 CO -0.05 0.05 -0.19 -1.54 -1.14 0.00 0.00 176.83 173.96 1jb4 n SER 58 N -2.23 1.28 -4.68 3.07 3.41 -0.27 -4.91 113.62 109.29 1jb4 n SER 58 Ca 0.04 -1.13 -0.42 0.00 -0.26 0.00 0.00 58.87 57.10 1jb4 n SER 58 Cb 0.44 0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 1jb4 n SER 58 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1jb4 s LEU 59 N -2.35 4.40 0.00 1.04 1.43 -1.16 -4.85 118.68 117.19 1jb4 s LEU 59 Ca 0.28 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 56.02 1jb4 s LEU 59 Cb 0.20 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.87 1jb4 s LEU 59 CO 0.47 -1.00 0.62 -0.81 0.23 0.00 0.00 176.35 175.86 1jb4 n PRO 60 N 6.45 0.00 -1.68 1.29 -0.04 -1.26 -4.77 135.00 134.99 1jb4 n PRO 60 Ca 0.18 0.16 -0.46 0.00 -0.04 0.00 0.00 63.50 63.34 1jb4 n PRO 60 Cb 0.40 -1.52 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 1jb4 n PRO 60 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1jb4 n PHE 61 N -1.12 2.42 -0.06 0.54 0.99 -1.26 -4.85 117.46 114.11 1jb4 n PHE 61 Ca 0.00 -0.10 -0.22 0.00 -0.00 0.00 0.00 57.45 57.13 1jb4 n PHE 61 Cb 0.02 -2.70 -0.12 0.00 -1.00 0.00 0.00 39.48 35.67 1jb4 n PHE 61 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1jb4 n GLN 62 N 6.42 0.64 -3.67 -1.08 -0.06 -1.26 -4.86 117.38 113.52 1jb4 n GLN 62 Ca 0.21 0.44 -0.21 0.00 -2.00 0.00 0.00 57.00 55.44 1jb4 n GLN 62 Cb 0.34 -1.72 -0.18 0.00 -4.06 0.00 0.00 30.24 24.61 1jb4 n GLN 62 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1jb4 s LYS 63 N -2.45 -0.01 0.03 3.69 2.20 -1.26 -5.03 119.74 116.91 1jb4 s LYS 63 Ca -0.27 0.28 0.06 0.00 -0.36 0.00 0.00 55.97 55.68 1jb4 s LYS 63 Cb 0.06 -0.78 -0.02 0.00 -1.51 0.00 0.00 37.83 35.58 1jb4 s LYS 63 CO 0.66 -0.39 -0.18 -1.50 -0.36 0.00 0.00 175.35 173.57 1jb4 s ILE 64 N 2.15 1.46 -0.05 5.43 1.10 -1.26 0.20 121.20 130.23 1jb4 s ILE 64 Ca 0.04 -1.05 -0.00 0.00 -0.51 0.00 0.00 60.65 59.13 1jb4 s ILE 64 Cb -0.13 -1.27 0.03 0.00 0.15 0.00 0.00 42.46 41.24 1jb4 s ILE 64 CO -0.04 0.19 -0.00 -1.58 -2.11 0.00 0.00 174.94 171.40 1jb4 s GLN 65 N -1.00 0.54 -0.02 3.50 2.00 0.17 -4.63 119.66 120.22 1jb4 s GLN 65 Ca 0.06 0.07 -0.12 0.00 -2.00 0.00 0.00 55.36 53.38 1jb4 s GLN 65 Cb -0.08 -0.81 -0.05 0.00 0.80 0.00 0.00 33.01 32.87 1jb4 s GLN 65 CO 0.01 -0.22 0.33 -1.01 -0.50 0.00 0.00 175.29 173.90 1jb4 s HIS 66 N 1.55 3.67 -0.12 1.67 3.76 -1.26 -0.11 115.29 124.45 1jb4 s HIS 66 Ca -0.02 0.83 -0.00 0.00 -0.15 0.00 0.00 55.06 55.72 1jb4 s HIS 66 Cb -0.13 -2.17 0.02 0.00 1.11 0.00 0.00 32.58 31.42 1jb4 s HIS 66 CO -0.03 0.65 -0.09 0.45 -0.85 0.00 0.00 174.74 174.87 1jb4 s SER 67 N -1.20 2.27 -0.22 1.40 0.15 0.14 -4.99 113.70 111.25 1jb4 s SER 67 Ca 0.23 -0.34 -0.22 0.00 0.70 0.00 0.00 55.95 56.32 1jb4 s SER 67 Cb -0.15 -0.91 -0.02 0.00 -1.71 0.00 0.00 66.02 63.23 1jb4 s SER 67 CO 0.12 -0.10 0.72 -0.63 1.20 0.00 0.00 173.24 174.55 1jb4 s ILE 68 N 1.62 4.94 -0.17 6.45 -1.09 -1.26 -0.81 121.20 130.87 1jb4 s ILE 68 Ca 0.04 1.36 -0.17 0.00 -2.23 0.00 0.00 60.65 59.64 1jb4 s ILE 68 Cb -0.13 -4.02 -0.22 0.00 -1.58 0.00 0.00 42.46 36.51 1jb4 s ILE 68 CO -0.08 0.03 0.31 0.74 -1.23 0.00 0.00 174.94 174.70 1jb4 h THR 69 N 5.30 0.87 -2.86 2.92 2.02 -1.29 -3.48 112.91 116.39 1jb4 h THR 69 Ca -0.28 -2.25 -0.10 0.00 0.77 0.00 0.00 66.41 64.55 1jb4 h THR 69 Cb 1.12 2.38 -0.19 0.00 -1.74 0.00 0.00 68.15 69.72 1jb4 h THR 69 CO 0.81 0.52 -0.17 0.00 0.37 0.00 0.00 175.52 177.05 1jb4 s ALA 70 N -2.42 -0.98 -0.05 6.16 0.00 -0.58 -5.01 121.76 118.87 1jb4 s ALA 70 Ca -0.26 0.48 -0.08 0.00 0.00 0.00 0.00 51.96 52.10 1jb4 s ALA 70 Cb 0.06 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1jb4 s ALA 70 CO 0.66 -0.32 0.19 1.14 0.00 0.00 0.00 175.76 177.44 1jb4 s GLN 71 N -1.54 0.35 0.01 0.00 -2.07 -1.26 -1.02 119.66 114.12 1jb4 s GLN 71 Ca -0.11 0.04 -0.03 0.00 -1.82 0.00 0.00 55.36 53.43 1jb4 s GLN 71 Cb -0.03 0.16 -0.01 0.00 -1.09 0.00 0.00 33.01 32.03 1jb4 s GLN 71 CO 0.04 -0.07 0.04 -0.51 -1.32 0.00 0.00 175.29 173.48 1jb4 s ASP 72 N -0.46 0.12 0.08 12.60 1.01 -0.43 -4.99 116.67 124.60 1jb4 s ASP 72 Ca -0.06 -0.30 0.02 0.00 0.71 0.00 0.00 52.55 52.92 1jb4 s ASP 72 Cb -0.04 0.14 -0.04 0.00 1.01 0.00 0.00 42.92 44.00 1jb4 s ASP 72 CO 0.01 -0.28 -0.07 -1.00 0.21 0.00 0.00 175.17 174.03 1jb4 s HIS 73 N -1.21 0.84 -0.09 4.23 3.76 -1.26 -1.05 115.29 120.50 1jb4 s HIS 73 Ca -0.13 -0.76 -0.08 0.00 -0.15 0.00 0.00 55.06 53.94 1jb4 s HIS 73 Cb -0.08 -0.49 0.03 0.00 1.11 0.00 0.00 32.58 33.15 1jb4 s HIS 73 CO 0.00 -0.12 0.25 -0.65 -0.85 0.00 0.00 174.74 173.38 1jb4 s GLN 74 N -3.02 0.29 0.61 1.40 -0.21 -0.64 -4.94 119.66 113.15 1jb4 s GLN 74 Ca 0.04 0.36 -0.13 0.00 0.02 0.00 0.00 55.36 55.65 1jb4 s GLN 74 Cb -0.00 0.12 -0.03 0.00 1.00 0.00 0.00 33.01 34.10 1jb4 s GLN 74 CO -0.03 -0.04 1.03 -1.25 -2.12 0.00 0.00 175.29 172.88 1jb4 s PRO 75 N 0.22 3.44 0.32 2.91 0.04 -1.26 -1.51 135.00 139.16 1jb4 s PRO 75 Ca -0.01 0.94 0.10 0.00 0.04 0.00 0.00 61.00 62.07 1jb4 s PRO 75 Cb -0.02 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1jb4 s PRO 75 CO -0.00 -0.70 -0.06 0.95 0.04 0.00 0.00 177.00 177.22 1jb4 s THR 76 N -2.88 2.58 0.26 1.26 -4.23 0.89 -4.85 115.64 108.67 1jb4 s THR 76 Ca 0.58 -2.12 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1jb4 s THR 76 Cb -0.13 -2.66 0.24 0.00 1.34 0.00 0.00 72.50 71.30 1jb4 s THR 76 CO 0.46 -0.26 1.73 -0.65 -0.54 0.00 0.00 174.62 175.36 1jb4 h PRO 77 N 1.97 0.48 -0.85 3.99 0.11 -1.97 0.28 132.00 136.01 1jb4 h PRO 77 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1jb4 h PRO 77 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jb4 h PRO 77 CO 0.66 0.32 0.00 -0.25 -0.21 0.00 0.00 178.00 178.51 1jb4 n ASP 78 N -4.97 1.95 -0.98 -2.05 8.00 -1.26 -4.87 116.55 112.38 1jb4 n ASP 78 Ca 0.17 -2.19 -0.11 0.00 0.71 0.00 0.00 54.79 53.37 1jb4 n ASP 78 Cb 0.48 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1jb4 n ASP 78 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1jb4 n SER 79 N 0.12 -4.00 -4.93 -2.24 7.64 0.09 -5.03 113.62 105.27 1jb4 n SER 79 Ca 0.06 0.16 -0.20 0.00 1.01 0.00 0.00 58.87 59.90 1jb4 n SER 79 Cb 0.43 -2.75 0.05 0.00 -1.01 0.00 0.00 64.21 60.94 1jb4 n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jb4 s ILE 81 N -2.72 1.39 -0.04 0.00 1.01 -0.58 -0.07 121.20 120.19 1jb4 s ILE 81 Ca 0.60 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 60.64 1jb4 s ILE 81 Cb -0.08 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 1jb4 s ILE 81 CO 0.39 0.42 0.02 -0.51 0.00 0.00 0.00 174.94 175.26 1jb4 s ILE 82 N 0.75 4.39 0.04 2.92 2.07 -0.57 0.54 121.20 131.35 1jb4 s ILE 82 Ca -0.12 -0.40 0.02 0.00 -1.41 0.00 0.00 60.65 58.74 1jb4 s ILE 82 Cb -0.16 -2.93 -0.03 0.00 0.13 0.00 0.00 42.46 39.48 1jb4 s ILE 82 CO 0.03 0.46 -0.07 -0.44 -1.91 0.00 0.00 174.94 173.01 1jb4 s SER 83 N -1.34 0.80 -0.06 4.50 0.01 0.87 -1.62 113.70 116.86 1jb4 s SER 83 Ca 0.18 -0.59 0.04 0.00 1.31 0.00 0.00 55.95 56.88 1jb4 s SER 83 Cb -0.12 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1jb4 s SER 83 CO 0.08 -0.25 -0.18 -0.32 0.41 0.00 0.00 173.24 172.98 1jb4 s MET 84 N -1.82 2.07 -0.05 12.44 1.75 -0.22 -1.90 119.30 131.58 1jb4 s MET 84 Ca -0.08 -0.64 0.01 0.00 -1.25 0.00 0.00 55.69 53.73 1jb4 s MET 84 Cb -0.08 -1.71 0.02 0.00 2.84 0.00 0.00 34.83 35.90 1jb4 s MET 84 CO -0.00 0.20 -0.06 0.08 -0.65 0.00 0.00 175.02 174.58 1jb4 s VAL 85 N 0.21 0.64 0.05 10.11 1.01 0.43 -1.32 120.40 131.54 1jb4 s VAL 85 Ca -0.09 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1jb4 s VAL 85 Cb -0.14 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 1jb4 s VAL 85 CO 0.04 0.25 -0.12 0.68 0.00 0.00 0.00 175.10 175.95 1jb4 s VAL 86 N 0.84 0.89 -3.68 2.92 -7.23 -0.19 -0.47 120.40 113.48 1jb4 s VAL 86 Ca -0.12 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1jb4 s VAL 86 Cb -0.15 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 35.93 1jb4 s VAL 86 CO 0.01 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 1jb4 n GLY 87 N 1.67 -0.53 3.33 2.32 0.00 -1.08 -0.76 105.19 110.15 1jb4 n GLY 87 Ca -0.20 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 1jb4 n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jb4 s GLN 88 N -1.47 1.27 0.03 1.61 -0.21 0.01 -1.16 119.66 119.74 1jb4 s GLN 88 Ca 0.00 -1.36 0.07 0.00 0.02 0.00 0.00 55.36 54.09 1jb4 s GLN 88 Cb 0.00 -1.42 -0.02 0.00 1.00 0.00 0.00 33.01 32.57 1jb4 s GLN 88 CO 0.00 0.30 -0.20 -0.48 -2.12 0.00 0.00 175.29 172.79 1jb4 s LEU 89 N -2.46 2.14 -0.20 2.90 0.05 -0.48 0.27 118.68 120.90 1jb4 s LEU 89 Ca 0.14 -0.49 -0.00 0.00 0.05 0.00 0.00 54.13 53.83 1jb4 s LEU 89 Cb -0.07 -0.96 0.05 0.00 -2.05 0.00 0.00 46.19 43.16 1jb4 s LEU 89 CO 0.06 0.17 -0.04 -0.75 -0.55 0.00 0.00 176.35 175.24 1jb4 s LYS 90 N -1.05 1.42 -0.33 1.48 2.36 0.84 -1.95 119.74 122.51 1jb4 s LYS 90 Ca 0.07 -0.74 -0.12 0.00 -2.55 0.00 0.00 55.97 52.64 1jb4 s LYS 90 Cb -0.09 -2.32 -0.01 0.00 -1.05 0.00 0.00 37.83 34.36 1jb4 s LYS 90 CO 0.01 -0.54 0.21 0.00 1.55 0.00 0.00 175.35 176.58 1jb4 s ALA 91 N 1.55 3.41 0.00 3.13 0.00 -1.26 0.45 121.76 129.05 1jb4 s ALA 91 Ca -0.03 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.53 1jb4 s ALA 91 Cb -0.17 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1jb4 s ALA 91 CO -0.07 -0.96 0.00 -0.25 0.00 0.00 0.00 175.76 174.48 1jb4 n ASP 92 N 5.06 0.00 -3.71 0.00 8.00 0.53 -2.69 116.55 123.74 1jb4 n ASP 92 Ca -0.13 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.96 1jb4 n ASP 92 Cb 0.49 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.60 1jb4 n ASP 92 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jb4 n GLU 93 N 14.00 4.93 0.00 -1.24 -0.58 -1.26 -5.01 120.64 131.48 1jb4 n GLU 93 Ca 0.00 -4.31 0.00 0.00 -0.42 0.00 0.00 57.16 52.43 1jb4 n GLU 93 Cb 0.00 -2.55 0.00 0.00 -0.57 0.00 0.00 31.44 28.32 1jb4 n GLU 93 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1jb4 n ASP 94 N 0.91 -4.94 -0.61 1.62 8.00 -1.09 -5.05 116.55 115.39 1jb4 n ASP 94 Ca 0.45 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1jb4 n ASP 94 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1jb4 n ASP 94 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1jb4 n PRO 95 N -1.61 0.00 -1.39 -0.24 -0.02 -1.26 -4.78 135.00 125.71 1jb4 n PRO 95 Ca 0.00 0.31 -0.40 0.00 -2.02 0.00 0.00 63.50 61.40 1jb4 n PRO 95 Cb 0.00 -0.30 0.02 0.00 -0.02 0.00 0.00 33.50 33.20 1jb4 n PRO 95 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1jb4 n ILE 96 N 1.13 1.34 -4.33 4.25 -0.00 -1.26 -4.90 119.36 115.59 1jb4 n ILE 96 Ca 0.00 -0.50 -0.17 0.00 -0.00 0.00 0.00 62.75 62.08 1jb4 n ILE 96 Cb 0.00 -0.39 -0.10 0.00 -0.00 0.00 0.00 39.64 39.15 1jb4 n ILE 96 CO 0.00 0.00 0.00 -0.04 -0.00 0.00 0.00 176.55 176.51 1jb4 s MET 97 N -1.55 1.42 0.20 0.38 -1.94 -0.82 -4.97 119.30 112.02 1jb4 s MET 97 Ca 0.63 -1.76 0.07 0.00 -1.71 0.00 0.00 55.69 52.92 1jb4 s MET 97 Cb -0.52 -0.36 -0.04 0.00 2.01 0.00 0.00 34.83 35.92 1jb4 s MET 97 CO 0.59 -0.26 0.08 0.20 -0.01 0.00 0.00 175.02 175.62 1jb4 s GLY 98 N -3.33 1.65 0.06 -0.03 0.00 -0.23 -1.38 107.32 104.05 1jb4 s GLY 98 Ca 0.36 -1.38 -0.17 0.00 0.00 0.00 0.00 44.72 43.54 1jb4 s GLY 98 CO 0.13 -1.40 0.38 -0.11 0.00 0.00 0.00 173.10 172.10 1jb4 s PHE 99 N -1.91 -0.21 -0.09 1.90 -0.12 -0.31 0.87 117.98 118.11 1jb4 s PHE 99 Ca 0.30 0.11 0.02 0.00 -0.05 0.00 0.00 56.93 57.31 1jb4 s PHE 99 Cb -0.09 0.19 0.01 0.00 -0.63 0.00 0.00 43.02 42.51 1jb4 s PHE 99 CO 0.21 -0.57 -0.15 -1.58 -0.05 0.00 0.00 175.22 173.08 1jb4 s HIS 100 N -2.71 1.82 -0.02 3.49 5.65 -0.04 -2.62 115.29 120.87 1jb4 s HIS 100 Ca -0.04 -0.79 0.03 0.00 0.25 0.00 0.00 55.06 54.51 1jb4 s HIS 100 Cb -0.00 -1.32 -0.00 0.00 -1.18 0.00 0.00 32.58 30.08 1jb4 s HIS 100 CO -0.04 -0.40 -0.11 -1.14 -0.65 0.00 0.00 174.74 172.39 1jb4 s GLN 101 N 0.86 1.04 -0.04 2.88 0.74 0.38 -0.84 119.66 124.67 1jb4 s GLN 101 Ca -0.10 -0.39 0.06 0.00 0.05 0.00 0.00 55.36 54.98 1jb4 s GLN 101 Cb -0.15 -0.98 -0.01 0.00 1.10 0.00 0.00 33.01 32.97 1jb4 s GLN 101 CO 0.01 0.20 -0.24 -2.00 -0.55 0.00 0.00 175.29 172.71 1jb4 s GLU 102 N -0.06 2.26 0.02 1.67 2.12 0.84 -0.43 118.70 125.11 1jb4 s GLU 102 Ca 0.01 -0.86 0.02 0.00 0.36 0.00 0.00 54.97 54.49 1jb4 s GLU 102 Cb -0.07 -2.01 -0.01 0.00 0.26 0.00 0.00 34.13 32.30 1jb4 s GLU 102 CO 0.00 0.42 -0.07 -0.06 -0.54 0.00 0.00 175.26 175.01 1jb4 s PHE 103 N -0.30 0.62 -0.14 5.30 0.40 -0.80 -1.09 117.98 121.97 1jb4 s PHE 103 Ca 0.01 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1jb4 s PHE 103 Cb -0.12 -0.38 0.02 0.00 0.51 0.00 0.00 43.02 43.05 1jb4 s PHE 103 CO 0.02 -0.03 -0.14 -1.17 0.70 0.00 0.00 175.22 174.59 1jb4 s LEU 104 N -0.76 1.68 0.12 -0.37 2.96 -0.78 -0.09 118.68 121.44 1jb4 s LEU 104 Ca -0.03 -0.47 0.06 0.00 -0.22 0.00 0.00 54.13 53.48 1jb4 s LEU 104 Cb -0.06 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 1jb4 s LEU 104 CO 0.00 -0.04 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.21 1jb4 s LEU 105 N 1.39 3.33 0.04 -0.68 1.43 0.19 -1.72 118.68 122.66 1jb4 s LEU 105 Ca 0.03 -0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 52.74 1jb4 s LEU 105 Cb -0.13 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1jb4 s LEU 105 CO -0.09 0.14 0.19 -0.75 0.23 0.00 0.00 176.35 176.07 1jb4 s LYS 106 N -2.52 0.68 -0.33 1.70 2.20 -0.33 -1.53 119.74 119.62 1jb4 s LYS 106 Ca 0.25 -0.63 -0.12 0.00 -0.36 0.00 0.00 55.97 55.11 1jb4 s LYS 106 Cb -0.11 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.47 1jb4 s LYS 106 CO 0.18 -0.19 0.22 1.21 -0.36 0.00 0.00 175.35 176.41 1jb4 s ASN 107 N -2.07 6.01 -0.10 1.43 2.47 -1.26 -0.43 114.94 120.99 1jb4 s ASN 107 Ca -0.05 -0.35 -0.01 0.00 0.42 0.00 0.00 52.86 52.86 1jb4 s ASN 107 Cb -0.01 -2.12 0.03 0.00 -1.45 0.00 0.00 41.25 37.69 1jb4 s ASN 107 CO -0.04 -0.20 -0.04 -0.63 -3.72 0.00 0.00 177.10 172.47 1jb4 s ILE 108 N 1.72 0.77 -0.64 -5.21 1.01 -0.12 -4.69 121.20 114.04 1jb4 s ILE 108 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1jb4 s ILE 108 Cb -0.17 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.43 1jb4 s ILE 108 CO 0.10 0.29 0.00 0.59 0.00 0.00 0.00 174.94 175.92 1jb4 n ASN 109 N 5.02 -3.36 -2.28 3.58 4.13 -1.26 -3.42 115.26 117.66 1jb4 n ASN 109 Ca -0.10 0.10 -0.11 0.00 1.68 0.00 0.00 54.58 56.15 1jb4 n ASN 109 Cb 0.50 -1.85 0.05 0.00 -1.54 0.00 0.00 39.78 36.94 1jb4 n ASN 109 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1jb4 n ASP 110 N 0.90 -2.93 -3.62 6.41 8.00 -1.26 -5.05 116.55 119.00 1jb4 n ASP 110 Ca -0.07 -0.32 -0.15 0.00 0.71 0.00 0.00 54.79 54.96 1jb4 n ASP 110 Cb 0.32 -3.02 -0.07 0.00 -0.02 0.00 0.00 41.12 38.34 1jb4 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jb4 s ALA 111 N -3.19 -1.63 -0.14 2.24 0.00 -1.22 -5.14 121.76 112.68 1jb4 s ALA 111 Ca 0.12 1.64 -0.25 0.00 0.00 0.00 0.00 51.96 53.47 1jb4 s ALA 111 Cb -0.05 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1jb4 s ALA 111 CO 0.40 -0.33 0.81 -1.58 0.00 0.00 0.00 175.76 175.06 1jb4 s TRP 112 N -0.16 3.46 0.22 0.00 0.52 -1.26 -0.94 118.94 120.77 1jb4 s TRP 112 Ca -0.04 1.26 0.05 0.00 0.02 0.00 0.00 56.10 57.39 1jb4 s TRP 112 Cb -0.03 -2.97 -0.05 0.00 -1.15 0.00 0.00 33.47 29.26 1jb4 s TRP 112 CO 0.04 -0.17 -0.05 0.14 0.02 0.00 0.00 176.95 176.93 1jb4 s VAL 113 N 1.84 1.26 -0.26 4.03 -7.23 0.43 -4.96 120.40 115.51 1jb4 s VAL 113 Ca 0.38 -2.08 -0.09 0.00 -1.81 0.00 0.00 61.98 58.38 1jb4 s VAL 113 Cb -0.17 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1jb4 s VAL 113 CO 0.14 -0.45 0.14 0.00 -0.31 0.00 0.00 175.10 174.62 1jb4 n THR 115 N 4.77 0.07 -3.81 0.00 -2.24 -0.70 -4.33 114.28 108.04 1jb4 n THR 115 Ca -0.15 -0.46 -0.14 0.00 -2.27 0.00 0.00 64.05 61.02 1jb4 n THR 115 Cb 0.52 0.04 -0.15 0.00 -2.10 0.00 0.00 70.33 68.63 1jb4 n THR 115 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1jb4 s ASN 116 N -4.49 0.07 -0.04 3.42 0.01 -1.20 -0.23 114.94 112.49 1jb4 s ASN 116 Ca -0.06 0.02 -0.01 0.00 -0.71 0.00 0.00 52.86 52.10 1jb4 s ASN 116 Cb 0.14 -0.06 0.03 0.00 0.41 0.00 0.00 41.25 41.77 1jb4 s ASN 116 CO 0.89 -0.09 0.08 -0.62 -1.51 0.00 0.00 177.10 175.85 1jb4 s ASP 117 N 0.75 0.11 -0.05 -1.22 -1.08 -0.01 -1.86 116.67 113.32 1jb4 s ASP 117 Ca -0.06 0.15 -0.01 0.00 -0.52 0.00 0.00 52.55 52.11 1jb4 s ASP 117 Cb -0.09 0.03 0.03 0.00 -1.46 0.00 0.00 42.92 41.43 1jb4 s ASP 117 CO -0.02 -0.15 0.01 -0.04 0.52 0.00 0.00 175.17 175.49 1jb4 s MET 118 N 1.25 0.37 -0.03 4.34 -1.94 -0.25 -1.35 119.30 121.69 1jb4 s MET 118 Ca -0.08 0.15 0.07 0.00 -1.71 0.00 0.00 55.69 54.12 1jb4 s MET 118 Cb -0.12 -0.71 -0.01 0.00 2.01 0.00 0.00 34.83 35.99 1jb4 s MET 118 CO -0.04 -0.25 -0.23 0.12 -0.01 0.00 0.00 175.02 174.61 1jb4 s PHE 119 N 1.69 2.11 -0.02 -0.03 5.36 -0.54 -0.11 117.98 126.42 1jb4 s PHE 119 Ca -0.00 -0.47 -0.02 0.00 -0.96 0.00 0.00 56.93 55.48 1jb4 s PHE 119 Cb -0.13 -1.37 0.01 0.00 -0.34 0.00 0.00 43.02 41.20 1jb4 s PHE 119 CO -0.03 -0.08 0.06 1.03 -1.46 0.00 0.00 175.22 174.73 1jb4 s ARG 120 N -0.41 0.06 0.54 10.12 1.81 -0.02 -1.03 118.95 130.02 1jb4 s ARG 120 Ca 0.05 0.10 -0.07 0.00 -1.72 0.00 0.00 55.73 54.09 1jb4 s ARG 120 Cb -0.10 -0.00 -0.03 0.00 -0.45 0.00 0.00 34.95 34.37 1jb4 s ARG 120 CO 0.00 -0.03 0.88 -0.51 -0.68 0.00 0.00 175.30 174.97 1jb4 s LEU 121 N 0.17 3.45 -0.13 2.53 1.43 -1.26 -0.86 118.68 124.00 1jb4 s LEU 121 Ca -0.01 1.06 -0.17 0.00 -1.03 0.00 0.00 54.13 53.98 1jb4 s LEU 121 Cb -0.02 -4.03 0.04 0.00 0.03 0.00 0.00 46.19 42.22 1jb4 s LEU 121 CO -0.00 -0.74 0.45 0.00 0.23 0.00 0.00 176.35 176.29 1jb4 s ALA 122 N -2.92 -1.13 -1.27 4.21 0.00 0.25 -4.81 121.76 116.09 1jb4 s ALA 122 Ca 0.51 1.12 0.09 0.00 0.00 0.00 0.00 51.96 53.68 1jb4 s ALA 122 Cb -0.11 -0.53 0.38 0.00 0.00 0.00 0.00 23.12 22.86 1jb4 s ALA 122 CO 0.48 -0.24 1.21 1.28 0.00 0.00 0.00 175.76 178.49 1jb4 n LEU 123 N 2.36 2.77 0.00 0.00 4.77 -1.26 -1.07 117.00 124.57 1jb4 n LEU 123 Ca -0.15 -1.40 -0.09 0.00 -0.03 0.00 0.00 56.01 54.34 1jb4 n LEU 123 Cb 0.57 -0.43 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1jb4 n LEU 123 CO 0.14 0.47 0.21 1.41 -1.33 0.00 0.00 177.39 178.29 1jb4 n HIS 124 N 0.46 -3.07 -3.78 -1.77 8.25 -1.26 -4.97 115.22 109.07 1jb4 n HIS 124 Ca 0.14 -0.75 -0.10 0.00 -0.26 0.00 0.00 57.72 56.75 1jb4 n HIS 124 Cb 0.54 -0.28 -0.07 0.00 1.12 0.00 0.00 29.99 31.31 1jb4 n HIS 124 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1jb4 s ASN 125 N -2.60 -0.01 0.00 0.41 3.04 -1.26 -4.35 114.94 110.17 1jb4 s ASN 125 Ca 0.26 -0.49 0.00 0.00 0.04 0.00 0.00 52.86 52.67 1jb4 s ASN 125 Cb -0.02 0.37 0.00 0.00 -1.54 0.00 0.00 41.25 40.07 1jb4 s ASN 125 CO 0.17 -0.74 0.25 0.49 -3.04 0.00 0.00 177.10 174.24