#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbg s TYR 3 N 0.00 2.87 0.58 5.64 2.02 -0.98 -4.92 117.35 122.56 1jbg s TYR 3 Ca 0.00 -0.74 -0.14 0.00 -0.37 0.00 0.00 57.07 55.82 1jbg s TYR 3 Cb 0.00 -1.93 -0.05 0.00 -0.40 0.00 0.00 41.96 39.58 1jbg s TYR 3 CO 0.00 -0.31 1.02 -1.14 -1.57 0.00 0.00 175.55 173.55 1jbg s GLN 4 N 0.70 3.59 0.25 -0.62 0.74 -1.26 -1.14 119.66 121.92 1jbg s GLN 4 Ca -0.05 0.94 -0.10 0.00 0.05 0.00 0.00 55.36 56.20 1jbg s GLN 4 Cb -0.15 -2.08 0.36 0.00 1.10 0.00 0.00 33.01 32.24 1jbg s GLN 4 CO 0.02 -0.57 1.59 0.28 -0.55 0.00 0.00 175.29 176.06 1jbg h VAL 5 N 0.25 0.19 -0.40 1.34 2.07 -1.97 0.23 116.25 117.95 1jbg h VAL 5 Ca -0.46 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1jbg h VAL 5 Cb 1.20 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1jbg h VAL 5 CO 0.60 0.00 0.26 0.50 0.02 0.00 0.00 177.57 178.95 1jbg h LYS 6 N 0.00 0.54 0.05 1.57 3.64 -1.93 -1.92 116.57 118.51 1jbg h LYS 6 Ca 0.40 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1jbg h LYS 6 Cb 0.62 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1jbg h LYS 6 CO -0.84 0.36 -0.02 1.96 -2.27 0.00 0.00 179.45 178.64 1jbg h GLN 7 N 0.55 -0.07 -0.52 1.90 7.50 -0.90 -2.85 115.11 120.73 1jbg h GLN 7 Ca 0.15 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.26 1jbg h GLN 7 Cb -0.05 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.48 1jbg h GLN 7 CO -0.03 0.15 0.17 -0.39 -1.50 0.00 0.00 178.83 177.23 1jbg h VAL 8 N -0.27 1.23 -0.37 -0.54 -1.51 -1.24 0.11 116.25 113.65 1jbg h VAL 8 Ca -0.01 -0.75 0.11 0.00 -1.23 0.00 0.00 66.70 64.82 1jbg h VAL 8 Cb 0.25 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 30.13 1jbg h VAL 8 CO 0.01 0.28 0.39 0.00 -1.23 0.00 0.00 177.57 177.02 1jbg h ALA 9 N 1.03 2.08 0.05 5.19 0.00 -1.35 0.50 119.26 126.77 1jbg h ALA 9 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1jbg h ALA 9 Cb 0.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jbg h ALA 9 CO -0.01 -0.59 -0.03 1.49 0.00 0.00 0.00 179.25 180.12 1jbg h GLU 10 N 0.00 -0.07 -0.37 0.00 4.57 -0.78 -1.80 114.58 116.13 1jbg h GLU 10 Ca 0.18 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.43 1jbg h GLU 10 Cb 0.96 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.51 1jbg h GLU 10 CO -0.00 0.03 -0.02 0.82 -1.18 0.00 0.00 179.01 178.65 1jbg h ILE 11 N -1.02 0.70 0.15 2.32 2.04 0.23 -3.13 117.51 118.81 1jbg h ILE 11 Ca -0.01 -0.02 -0.30 0.00 1.00 0.00 0.00 64.86 65.52 1jbg h ILE 11 Cb 0.13 0.62 0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1jbg h ILE 11 CO 0.01 0.01 -1.30 0.77 0.00 0.00 0.00 178.15 177.65 1jbg h SER 12 N 0.07 0.82 0.00 1.72 4.64 -0.21 -3.47 113.55 117.11 1jbg h SER 12 Ca 0.18 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1jbg h SER 12 Cb 0.26 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jbg h SER 12 CO -0.32 1.60 0.00 0.61 -0.87 0.00 0.00 176.83 177.85 1jbg n GLY 13 N 1.46 0.78 3.81 -0.77 0.00 -0.68 -5.03 105.19 104.75 1jbg n GLY 13 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1jbg n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jbg s VAL 14 N -2.23 4.78 0.70 1.61 1.01 -1.19 -5.01 120.40 120.06 1jbg s VAL 14 Ca 0.00 1.20 -0.15 0.00 0.00 0.00 0.00 61.98 63.03 1jbg s VAL 14 Cb 0.00 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1jbg s VAL 14 CO 0.00 0.54 1.16 -0.55 0.00 0.00 0.00 175.10 176.25 1jbg s SER 15 N -1.00 4.62 0.00 3.32 0.15 -1.26 -4.19 113.70 115.35 1jbg s SER 15 Ca 0.29 2.20 -0.25 0.00 0.70 0.00 0.00 55.95 58.88 1jbg s SER 15 Cb -0.19 -2.57 -0.19 0.00 -1.71 0.00 0.00 66.02 61.35 1jbg s SER 15 CO 0.18 -1.97 1.37 0.40 1.20 0.00 0.00 173.24 174.42 1jbg h ILE 16 N -0.12 1.30 -0.55 6.45 2.04 -1.93 0.24 117.51 124.95 1jbg h ILE 16 Ca -0.47 -0.90 0.11 0.00 1.00 0.00 0.00 64.86 64.60 1jbg h ILE 16 Cb 1.27 1.91 -0.11 0.00 -0.74 0.00 0.00 36.82 39.16 1jbg h ILE 16 CO 0.52 0.23 -0.19 -0.09 0.00 0.00 0.00 178.15 178.61 1jbg h ARG 17 N -0.39 -0.06 0.38 2.37 2.43 -1.99 0.43 114.38 117.55 1jbg h ARG 17 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1jbg h ARG 17 Cb 0.39 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1jbg h ARG 17 CO 0.00 -0.04 -0.18 1.15 -1.51 0.00 0.00 179.97 179.39 1jbg h THR 18 N -0.06 0.63 -0.91 0.20 2.02 -1.90 -1.87 112.91 111.02 1jbg h THR 18 Ca 0.26 -0.02 0.18 0.00 0.77 0.00 0.00 66.41 67.60 1jbg h THR 18 Cb 0.46 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.44 1jbg h THR 18 CO -0.60 0.00 0.59 -0.07 0.37 0.00 0.00 175.52 175.81 1jbg h LEU 19 N -0.52 0.53 0.04 2.58 3.38 0.41 0.24 115.31 121.96 1jbg h LEU 19 Ca -0.05 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jbg h LEU 19 Cb 0.40 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1jbg h LEU 19 CO 0.09 0.23 -0.02 -0.74 0.09 0.00 0.00 178.44 178.08 1jbg h HIS 20 N 0.54 -0.05 -0.99 1.13 2.76 0.20 -2.31 115.15 116.44 1jbg h HIS 20 Ca 0.48 -0.00 0.20 0.00 -2.20 0.00 0.00 60.37 58.85 1jbg h HIS 20 Cb 1.00 0.02 -0.11 0.00 1.55 0.00 0.00 27.41 29.86 1jbg h HIS 20 CO -0.00 0.17 0.58 1.25 -1.30 0.00 0.00 177.93 178.63 1jbg h HIS 21 N -0.25 1.01 0.14 5.26 -0.00 -0.17 0.98 115.15 122.11 1jbg h HIS 21 Ca -0.01 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 1jbg h HIS 21 Cb 0.23 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1jbg h HIS 21 CO -0.01 0.17 -0.07 1.88 -0.00 0.00 0.00 177.93 179.91 1jbg h TYR 22 N 0.69 -0.18 -0.82 5.26 0.99 -0.84 -1.51 116.97 120.56 1jbg h TYR 22 Ca 0.58 -0.00 0.12 0.00 2.00 0.00 0.00 58.73 61.43 1jbg h TYR 22 Cb 0.96 0.06 -0.08 0.00 1.00 0.00 0.00 36.73 38.67 1jbg h TYR 22 CO -0.02 -0.07 0.43 0.22 -0.00 0.00 0.00 178.16 178.73 1jbg h ASP 23 N -0.24 0.56 0.16 3.88 -0.00 -0.58 -1.34 116.42 118.85 1jbg h ASP 23 Ca -0.02 0.07 -0.03 0.00 -0.00 0.00 0.00 57.03 57.05 1jbg h ASP 23 Cb 0.19 -0.02 -0.00 0.00 -0.00 0.00 0.00 39.33 39.49 1jbg h ASP 23 CO 0.03 0.28 -0.14 0.78 -0.00 0.00 0.00 179.24 180.19 1jbg h ASN 24 N 0.67 0.00 -0.39 2.28 -0.26 -0.19 -2.21 115.58 115.48 1jbg h ASN 24 Ca 0.42 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.15 1jbg h ASN 24 Cb 0.52 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 1jbg h ASN 24 CO -0.31 0.14 0.01 2.30 -1.06 0.00 0.00 177.43 178.51 1jbg n ILE 25 N -4.30 2.49 -1.13 2.81 -5.35 -0.64 -4.92 119.36 108.33 1jbg n ILE 25 Ca -0.03 -1.73 -0.07 0.00 -0.27 0.00 0.00 62.75 60.66 1jbg n ILE 25 Cb 0.21 -0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 37.81 1jbg n ILE 25 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1jbg n GLU 26 N -0.12 -1.80 -0.14 6.28 4.07 -0.83 -4.81 120.64 123.29 1jbg n GLU 26 Ca 0.25 0.68 -0.11 0.00 -0.06 0.00 0.00 57.16 57.92 1jbg n GLU 26 Cb 1.03 -5.01 -0.02 0.00 -0.06 0.00 0.00 31.44 27.38 1jbg n GLU 26 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1jbg h LEU 27 N 0.00 0.79 -6.86 4.31 5.85 -1.52 -3.42 115.31 114.45 1jbg h LEU 27 Ca -0.13 -0.37 -0.27 0.00 0.84 0.00 0.00 57.88 57.94 1jbg h LEU 27 Cb 1.02 -0.22 -0.34 0.00 0.37 0.00 0.00 40.66 41.49 1jbg h LEU 27 CO 0.20 0.98 -0.59 -0.22 -0.34 0.00 0.00 178.44 178.48 1jbg s LEU 28 N -9.22 -0.22 -0.05 2.25 2.96 -1.17 -5.00 118.68 108.24 1jbg s LEU 28 Ca -0.12 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1jbg s LEU 28 Cb 0.10 0.55 -0.03 0.00 0.50 0.00 0.00 46.19 47.31 1jbg s LEU 28 CO 0.82 -0.30 -0.15 0.20 -1.32 0.00 0.00 176.35 175.60 1jbg s ASN 29 N 2.37 3.95 0.34 3.68 0.02 -1.26 -2.24 114.94 121.80 1jbg s ASN 29 Ca 0.06 -0.22 -0.28 0.00 -1.02 0.00 0.00 52.86 51.40 1jbg s ASN 29 Cb -0.15 -0.81 -0.12 0.00 0.02 0.00 0.00 41.25 40.20 1jbg s ASN 29 CO -0.11 0.34 1.38 -2.65 0.02 0.00 0.00 177.10 176.09 1jbg n PRO 30 N 2.32 2.35 0.10 -0.60 -0.02 -1.26 -4.96 135.00 132.92 1jbg n PRO 30 Ca -0.17 0.82 -0.07 0.00 -2.02 0.00 0.00 63.50 62.06 1jbg n PRO 30 Cb 0.52 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 1jbg n PRO 30 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1jbg h SER 31 N 2.94 -0.29 -2.27 2.55 0.02 -1.34 -3.47 113.55 111.69 1jbg h SER 31 Ca -0.48 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1jbg h SER 31 Cb 1.26 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1jbg h SER 31 CO 0.65 0.19 0.00 0.00 -1.14 0.00 0.00 176.83 176.53 1jbg n ALA 32 N -2.71 0.00 -3.54 3.77 0.00 -0.90 -4.97 120.51 112.16 1jbg n ALA 32 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1jbg n ALA 32 Cb 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 1jbg n ALA 32 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jbg s LEU 33 N 0.00 -0.34 1.27 0.00 2.96 -1.26 -2.17 118.68 119.14 1jbg s LEU 33 Ca 0.00 1.20 -0.21 0.00 -0.22 0.00 0.00 54.13 54.90 1jbg s LEU 33 Cb 0.00 1.98 0.31 0.00 0.50 0.00 0.00 46.19 48.98 1jbg s LEU 33 CO 0.00 -0.21 1.08 0.28 -1.32 0.00 0.00 176.35 176.18 1jbg s THR 34 N 0.69 1.47 -0.45 3.68 -1.32 0.17 -4.88 115.64 115.00 1jbg s THR 34 Ca -0.03 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.71 1jbg s THR 34 Cb -0.05 -2.41 0.31 0.00 -1.51 0.00 0.00 72.50 68.84 1jbg s THR 34 CO -0.05 0.00 1.76 0.44 -2.21 0.00 0.00 174.62 174.56 1jbg h ASP 35 N -2.83 0.00 0.05 8.08 5.19 -2.02 -2.92 116.42 121.97 1jbg h ASP 35 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1jbg h ASP 35 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1jbg h ASP 35 CO 0.30 0.00 -0.30 0.00 -3.12 0.00 0.00 179.24 176.12 1jbg n ALA 36 N -1.92 3.18 0.00 3.45 0.00 -1.26 -4.96 120.51 119.00 1jbg n ALA 36 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1jbg n ALA 36 Cb 0.39 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1jbg n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jbg n GLY 37 N 1.37 1.02 3.78 0.00 0.00 -1.10 -5.09 105.19 105.17 1jbg n GLY 37 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1jbg n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jbg s TYR 38 N -2.00 3.82 0.27 1.61 2.02 -1.26 -4.77 117.35 117.04 1jbg s TYR 38 Ca 0.00 1.64 -0.29 0.00 -0.37 0.00 0.00 57.07 58.05 1jbg s TYR 38 Cb 0.00 -2.79 -0.09 0.00 -0.40 0.00 0.00 41.96 38.68 1jbg s TYR 38 CO 0.00 0.41 1.16 1.03 -1.57 0.00 0.00 175.55 176.58 1jbg s ARG 39 N -1.50 4.56 0.04 -0.62 0.52 -1.26 0.43 118.95 121.12 1jbg s ARG 39 Ca 0.41 1.91 0.08 0.00 -0.52 0.00 0.00 55.73 57.60 1jbg s ARG 39 Cb -0.21 -3.17 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 1jbg s ARG 39 CO 0.25 0.08 -0.24 -0.51 0.02 0.00 0.00 175.30 174.90 1jbg s LEU 40 N -1.32 2.16 -0.03 2.53 1.43 -0.92 -3.62 118.68 118.91 1jbg s LEU 40 Ca 0.47 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 1jbg s LEU 40 Cb -0.34 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 1jbg s LEU 40 CO 0.43 0.22 -0.24 -0.31 0.23 0.00 0.00 176.35 176.67 1jbg s TYR 41 N -0.78 2.41 0.07 0.29 2.02 -0.29 -0.83 117.35 120.24 1jbg s TYR 41 Ca 0.10 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.31 1jbg s TYR 41 Cb -0.09 -1.55 0.02 0.00 -0.40 0.00 0.00 41.96 39.94 1jbg s TYR 41 CO 0.02 -0.06 0.10 -1.13 -1.57 0.00 0.00 175.55 172.91 1jbg n SER 42 N 2.57 0.04 0.00 2.29 3.41 -1.26 -1.30 113.62 119.37 1jbg n SER 42 Ca -0.17 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1jbg n SER 42 Cb 0.51 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 1jbg n SER 42 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jbg n ASP 43 N -3.05 0.55 0.18 4.04 9.92 -1.26 -2.75 116.55 124.19 1jbg n ASP 43 Ca 0.01 0.24 0.04 0.00 -0.53 0.00 0.00 54.79 54.56 1jbg n ASP 43 Cb 0.05 0.63 0.33 0.00 -0.64 0.00 0.00 41.12 41.49 1jbg n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jbg h ALA 44 N 1.45 1.08 -0.26 2.24 0.00 -1.97 0.56 119.26 122.36 1jbg h ALA 44 Ca -0.21 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 1jbg h ALA 44 Cb 1.60 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1jbg h ALA 44 CO 0.03 0.51 -0.29 -0.44 0.00 0.00 0.00 179.25 179.07 1jbg h ASP 45 N 0.00 0.71 -0.09 0.00 3.45 -1.92 -1.55 116.42 117.02 1jbg h ASP 45 Ca -0.00 -0.48 -0.12 0.00 0.43 0.00 0.00 57.03 56.85 1jbg h ASP 45 Cb 0.86 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.42 1jbg h ASP 45 CO 0.05 1.05 -0.35 -0.07 -1.57 0.00 0.00 179.24 178.35 1jbg h LEU 46 N 0.38 0.62 -2.05 1.55 3.38 -1.16 -0.59 115.31 117.44 1jbg h LEU 46 Ca 0.04 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1jbg h LEU 46 Cb 0.86 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1jbg h LEU 46 CO 0.07 0.92 0.20 -0.33 0.09 0.00 0.00 178.44 179.39 1jbg h GLU 47 N 0.50 0.00 0.07 1.13 4.39 0.33 0.55 114.58 121.54 1jbg h GLU 47 Ca 0.05 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.56 1jbg h GLU 47 Cb 0.84 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1jbg h GLU 47 CO 0.07 0.00 -1.01 -0.09 -1.16 0.00 0.00 179.01 176.82 1jbg h ARG 48 N 0.00 0.14 -1.00 2.33 2.43 -0.38 -3.20 114.38 114.70 1jbg h ARG 48 Ca 0.13 -0.24 0.25 0.00 -0.81 0.00 0.00 59.98 59.31 1jbg h ARG 48 Cb 0.53 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 30.09 1jbg h ARG 48 CO -0.00 1.11 0.66 1.25 -1.51 0.00 0.00 179.97 181.48 1jbg h LEU 49 N -0.63 0.37 -0.07 3.80 5.85 -0.35 0.30 115.31 124.59 1jbg h LEU 49 Ca -0.23 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1jbg h LEU 49 Cb 1.48 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.50 1jbg h LEU 49 CO -0.01 0.10 0.01 -0.61 -0.34 0.00 0.00 178.44 177.60 1jbg h GLN 50 N 0.34 0.11 -0.24 1.25 4.15 -1.00 -0.46 115.11 119.27 1jbg h GLN 50 Ca 0.54 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.97 1jbg h GLN 50 Cb 1.47 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 29.11 1jbg h GLN 50 CO -0.21 0.33 -0.03 1.96 -1.93 0.00 0.00 178.83 178.94 1jbg h GLN 51 N -0.12 0.04 -0.21 1.69 4.20 -0.46 -1.75 115.11 118.50 1jbg h GLN 51 Ca 0.02 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.78 1jbg h GLN 51 Cb 0.26 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.96 1jbg h GLN 51 CO 0.00 0.02 -0.37 0.82 -0.67 0.00 0.00 178.83 178.64 1jbg h ILE 52 N 0.04 0.21 -0.18 2.54 2.04 -0.93 0.72 117.51 121.95 1jbg h ILE 52 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.02 1jbg h ILE 52 Cb 0.16 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1jbg h ILE 52 CO -0.22 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 177.99 1jbg h LEU 53 N -0.40 0.00 0.02 1.44 4.07 -0.84 0.19 115.31 119.79 1jbg h LEU 53 Ca 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 1jbg h LEU 53 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1jbg h LEU 53 CO -0.42 0.00 -0.15 0.15 -1.08 0.00 0.00 178.44 176.94 1jbg h PHE 54 N 0.00 0.11 -0.88 1.13 3.04 -0.32 -1.33 116.94 118.69 1jbg h PHE 54 Ca 0.08 -0.07 0.01 0.00 3.98 0.00 0.00 57.97 61.97 1jbg h PHE 54 Cb 0.34 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.80 1jbg h PHE 54 CO 0.00 1.01 0.58 0.74 -2.02 0.00 0.00 178.31 178.62 1jbg h PHE 55 N -0.82 1.10 -0.76 0.41 0.05 -0.55 -0.94 116.94 115.44 1jbg h PHE 55 Ca -0.02 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1jbg h PHE 55 Cb 1.06 -0.37 -0.04 0.00 2.00 0.00 0.00 35.95 38.60 1jbg h PHE 55 CO 0.25 0.69 0.48 -0.22 -0.18 0.00 0.00 178.31 179.33 1jbg h LYS 56 N 1.19 1.01 -0.57 1.51 1.63 -0.67 -2.03 116.57 118.64 1jbg h LYS 56 Ca 0.32 -0.08 -0.05 0.00 -0.85 0.00 0.00 60.65 60.00 1jbg h LYS 56 Cb -0.13 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.25 1jbg h LYS 56 CO -0.07 0.69 0.17 1.49 -3.45 0.00 0.00 179.45 178.28 1jbg h GLU 57 N 1.03 0.86 0.00 1.90 4.57 -0.14 -2.67 114.58 120.13 1jbg h GLU 57 Ca 0.28 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 1jbg h GLU 57 Cb -0.08 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 1jbg h GLU 57 CO -0.06 0.75 -0.21 0.82 -1.18 0.00 0.00 179.01 179.13 1jbg h ILE 58 N 0.84 0.65 0.00 2.32 1.08 -0.67 -3.47 117.51 118.26 1jbg h ILE 58 Ca 0.19 -0.95 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 1jbg h ILE 58 Cb 0.26 1.61 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1jbg h ILE 58 CO -0.01 0.21 0.00 0.61 -0.69 0.00 0.00 178.15 178.27 1jbg n GLY 59 N -0.22 0.33 3.78 5.37 0.00 -0.90 -5.02 105.19 108.54 1jbg n GLY 59 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1jbg n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jbg s PHE 60 N -1.33 3.52 0.37 1.61 0.08 -0.81 -5.02 117.98 116.40 1jbg s PHE 60 Ca 0.00 1.72 -0.15 0.00 0.12 0.00 0.00 56.93 58.62 1jbg s PHE 60 Cb 0.00 -3.02 -0.09 0.00 -0.57 0.00 0.00 43.02 39.34 1jbg s PHE 60 CO 0.00 -0.15 0.80 1.03 -0.10 0.00 0.00 175.22 176.80 1jbg s ARG 61 N -2.20 4.00 0.35 0.44 0.52 -1.26 -4.48 118.95 116.32 1jbg s ARG 61 Ca 0.53 0.74 0.16 0.00 -0.52 0.00 0.00 55.73 56.63 1jbg s ARG 61 Cb -0.20 -2.35 1.14 0.00 0.52 0.00 0.00 34.95 34.05 1jbg s ARG 61 CO 0.26 0.06 1.64 -0.07 0.02 0.00 0.00 175.30 177.21 1jbg h LEU 62 N 1.91 0.46 -0.03 2.53 -0.00 -1.99 -2.18 115.31 116.01 1jbg h LEU 62 Ca -0.48 0.21 -0.01 0.00 -0.00 0.00 0.00 57.88 57.60 1jbg h LEU 62 Cb 1.18 0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 42.01 1jbg h LEU 62 CO 0.64 -0.20 -0.01 -2.24 -0.00 0.00 0.00 178.44 176.63 1jbg h ASP 63 N 0.25 0.07 0.46 -0.43 3.04 -2.00 -2.40 116.42 115.40 1jbg h ASP 63 Ca 0.76 -0.38 0.00 0.00 -3.24 0.00 0.00 57.03 54.17 1jbg h ASP 63 Cb 1.79 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 40.07 1jbg h ASP 63 CO -0.64 0.43 0.00 1.05 -2.04 0.00 0.00 179.24 178.04 1jbg h GLU 64 N -0.30 0.00 0.08 4.15 4.11 -1.79 -1.12 114.58 119.71 1jbg h GLU 64 Ca 0.01 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.17 1jbg h GLU 64 Cb 0.40 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.68 1jbg h GLU 64 CO 0.00 0.00 -1.09 0.82 0.07 0.00 0.00 179.01 178.82 1jbg h ILE 65 N 0.00 1.31 -0.82 -1.06 2.04 -1.36 -2.96 117.51 114.67 1jbg h ILE 65 Ca 0.00 -2.36 0.13 0.00 1.00 0.00 0.00 64.86 63.63 1jbg h ILE 65 Cb 0.23 2.64 -0.09 0.00 -0.74 0.00 0.00 36.82 38.86 1jbg h ILE 65 CO 0.00 0.71 0.42 0.50 0.00 0.00 0.00 178.15 179.78 1jbg h LYS 66 N 0.22 0.61 0.00 2.37 3.64 -0.69 -2.55 116.57 120.17 1jbg h LYS 66 Ca -0.16 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1jbg h LYS 66 Cb 1.77 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.45 1jbg h LYS 66 CO 0.21 0.40 0.00 0.39 -2.27 0.00 0.00 179.45 178.18 1jbg n GLU 67 N -4.87 0.00 -0.09 1.90 1.02 -1.10 -3.82 120.64 113.69 1jbg n GLU 67 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1jbg n GLU 67 Cb 0.39 -0.91 0.02 0.00 -0.02 0.00 0.00 31.44 30.92 1jbg n GLU 67 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1jbg n MET 68 N -0.46 -0.04 -0.21 3.49 2.81 -1.12 -1.75 117.12 119.85 1jbg n MET 68 Ca 0.00 0.37 -0.00 0.00 -1.81 0.00 0.00 57.70 56.25 1jbg n MET 68 Cb 0.00 -0.54 0.08 0.00 -0.71 0.00 0.00 33.22 32.04 1jbg n MET 68 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1jbg h LEU 69 N 0.00 -0.47 0.15 4.03 3.38 -1.55 -3.15 115.31 117.69 1jbg h LEU 69 Ca 0.09 0.18 -0.34 0.00 0.09 0.00 0.00 57.88 57.89 1jbg h LEU 69 Cb 0.15 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1jbg h LEU 69 CO -0.24 -0.18 -1.78 -2.24 0.09 0.00 0.00 178.44 174.09 1jbg h ASP 70 N 0.04 0.48 -0.84 -0.43 3.04 -1.48 -3.47 116.42 113.75 1jbg h ASP 70 Ca 0.31 -0.82 -0.64 0.00 -3.24 0.00 0.00 57.03 52.64 1jbg h ASP 70 Cb 0.49 -0.16 0.06 0.00 -1.04 0.00 0.00 39.33 38.67 1jbg h ASP 70 CO -0.60 1.70 -0.08 1.41 -2.04 0.00 0.00 179.24 179.63 1jbg n HIS 71 N -3.50 0.29 0.00 4.15 -0.00 -1.19 -4.93 115.22 110.04 1jbg n HIS 71 Ca -0.25 0.87 0.00 0.00 -0.00 0.00 0.00 57.72 58.35 1jbg n HIS 71 Cb 1.06 -1.74 0.00 0.00 -0.00 0.00 0.00 29.99 29.32 1jbg n HIS 71 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1jbg n PRO 72 N 1.15 0.00 -1.23 -0.41 -0.02 -1.26 -3.99 135.00 129.24 1jbg n PRO 72 Ca 0.16 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1jbg n PRO 72 Cb 0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.54 1jbg n PRO 72 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1jbg n ASN 73 N 0.00 3.00 -4.76 2.55 6.94 -1.26 -4.92 115.26 116.80 1jbg n ASN 73 Ca 0.00 -2.68 -0.40 0.00 -0.02 0.00 0.00 54.58 51.47 1jbg n ASN 73 Cb 0.00 -1.22 -0.04 0.00 -2.36 0.00 0.00 39.78 36.16 1jbg n ASN 73 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1jbg s PHE 74 N 4.52 3.47 -0.75 -2.53 5.36 -1.26 -5.00 117.98 121.80 1jbg s PHE 74 Ca 0.54 1.65 -0.12 0.00 -0.96 0.00 0.00 56.93 58.04 1jbg s PHE 74 Cb 0.14 -3.36 0.20 0.00 -0.34 0.00 0.00 43.02 39.66 1jbg s PHE 74 CO 0.07 -0.80 0.66 0.34 -1.46 0.00 0.00 175.22 174.03 1jbg s ASP 75 N -0.82 6.38 0.09 6.13 -1.08 -1.26 -4.93 116.67 121.17 1jbg s ASP 75 Ca 0.46 -2.61 -0.34 0.00 -0.52 0.00 0.00 52.55 49.53 1jbg s ASP 75 Cb -0.33 -2.13 -0.16 0.00 -1.46 0.00 0.00 42.92 38.83 1jbg s ASP 75 CO 0.43 -0.56 1.58 0.03 0.52 0.00 0.00 175.17 177.17 1jbg h ARG 76 N 7.76 -0.91 -0.85 4.34 2.47 -1.99 -1.14 114.38 124.06 1jbg h ARG 76 Ca 0.03 0.06 0.22 0.00 -1.26 0.00 0.00 59.98 59.03 1jbg h ARG 76 Cb 1.03 0.21 -0.13 0.00 -1.65 0.00 0.00 29.97 29.42 1jbg h ARG 76 CO 0.77 -0.61 0.22 -0.22 0.56 0.00 0.00 179.97 180.70 1jbg h LYS 77 N -0.94 0.22 0.31 0.04 3.64 -1.99 -0.44 116.57 117.40 1jbg h LYS 77 Ca -0.05 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1jbg h LYS 77 Cb 0.82 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1jbg h LYS 77 CO -0.05 0.14 -0.15 0.00 -2.27 0.00 0.00 179.45 177.13 1jbg h ALA 78 N 1.74 -0.41 0.10 5.00 0.00 -1.86 -1.22 119.26 122.61 1jbg h ALA 78 Ca 0.52 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1jbg h ALA 78 Cb 1.01 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1jbg h ALA 78 CO -0.63 -0.72 -0.19 0.00 0.00 0.00 0.00 179.25 177.72 1jbg h ALA 79 N 0.24 -0.31 -0.88 0.00 0.00 -0.13 0.13 119.26 118.29 1jbg h ALA 79 Ca -0.04 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1jbg h ALA 79 Cb 0.34 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1jbg h ALA 79 CO 0.07 -0.71 0.56 -0.07 0.00 0.00 0.00 179.25 179.10 1jbg h LEU 80 N -0.36 0.91 -1.12 0.00 3.38 -1.12 0.32 115.31 117.31 1jbg h LEU 80 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1jbg h LEU 80 Cb 0.38 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1jbg h LEU 80 CO -0.11 0.60 -0.14 -0.61 0.09 0.00 0.00 178.44 178.27 1jbg h GLN 81 N 1.05 0.00 0.11 1.13 4.15 -0.85 0.03 115.11 120.74 1jbg h GLN 81 Ca 0.37 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.62 1jbg h GLN 81 Cb 0.10 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.80 1jbg h GLN 81 CO -0.15 0.14 -0.72 1.03 -1.93 0.00 0.00 178.83 177.20 1jbg h SER 82 N 0.00 0.45 -0.35 -0.69 0.87 0.81 -3.20 113.55 111.43 1jbg h SER 82 Ca -0.00 -0.92 -0.01 0.00 -1.23 0.00 0.00 61.79 59.62 1jbg h SER 82 Cb 0.70 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1jbg h SER 82 CO 0.02 1.33 0.17 1.56 -0.53 0.00 0.00 176.83 179.38 1jbg h GLN 83 N -0.37 0.51 -0.39 2.24 1.08 -0.23 -1.65 115.11 116.30 1jbg h GLN 83 Ca -0.12 -0.08 0.11 0.00 -1.45 0.00 0.00 58.65 57.12 1jbg h GLN 83 Cb 1.54 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.86 1jbg h GLN 83 CO 0.14 0.46 0.29 -0.22 -0.95 0.00 0.00 178.83 178.54 1jbg h LYS 84 N 0.44 0.00 0.21 1.46 3.64 -1.08 0.84 116.57 122.07 1jbg h LYS 84 Ca 0.12 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.18 1jbg h LYS 84 Cb 0.12 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1jbg h LYS 84 CO -0.02 0.00 -1.37 0.93 -2.27 0.00 0.00 179.45 176.72 1jbg h GLU 85 N 0.00 0.56 -0.36 1.90 5.08 -1.36 -1.45 114.58 118.96 1jbg h GLU 85 Ca 0.19 -0.88 0.04 0.00 -1.00 0.00 0.00 59.36 57.71 1jbg h GLU 85 Cb 0.76 0.32 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 1jbg h GLU 85 CO -0.00 1.42 0.11 0.82 -1.00 0.00 0.00 179.01 180.36 1jbg h ILE 86 N 0.17 0.88 -0.34 3.13 1.08 -0.33 -0.17 117.51 121.92 1jbg h ILE 86 Ca -0.23 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1jbg h ILE 86 Cb 2.06 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 1jbg h ILE 86 CO 0.26 0.05 0.16 -0.07 -0.69 0.00 0.00 178.15 177.85 1jbg h LEU 87 N 0.26 0.46 -1.47 1.44 4.07 -0.91 0.16 115.31 119.31 1jbg h LEU 87 Ca 0.16 -0.14 0.03 0.00 0.08 0.00 0.00 57.88 58.02 1jbg h LEU 87 Cb 0.15 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.74 1jbg h LEU 87 CO -0.18 0.47 0.39 0.24 -1.08 0.00 0.00 178.44 178.28 1jbg h MET 88 N 0.41 0.67 0.01 1.13 2.86 -0.78 0.44 114.93 119.68 1jbg h MET 88 Ca 0.12 -0.04 -0.23 0.00 -2.06 0.00 0.00 59.70 57.49 1jbg h MET 88 Cb 0.14 -0.15 0.02 0.00 0.06 0.00 0.00 31.60 31.67 1jbg h MET 88 CO -0.01 0.45 -0.88 -0.22 1.06 0.00 0.00 176.91 177.30 1jbg h LYS 89 N 0.69 0.59 -0.69 1.72 3.64 -0.22 -2.27 116.57 120.03 1jbg h LYS 89 Ca 0.24 -0.64 0.04 0.00 -1.27 0.00 0.00 60.65 59.02 1jbg h LYS 89 Cb 0.09 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 1jbg h LYS 89 CO -0.06 1.25 0.45 0.87 -2.27 0.00 0.00 179.45 179.69 1jbg h LYS 90 N 0.20 0.76 0.25 1.90 1.57 0.18 -1.12 116.57 120.31 1jbg h LYS 90 Ca -0.11 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1jbg h LYS 90 Cb 1.56 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1jbg h LYS 90 CO 0.17 0.51 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.22 1jbg h LYS 91 N 0.79 -0.33 -0.63 3.15 3.64 -0.09 -2.73 116.57 120.37 1jbg h LYS 91 Ca 0.28 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.79 1jbg h LYS 91 Cb 0.14 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1jbg h LYS 91 CO -0.08 0.01 0.42 0.37 -2.27 0.00 0.00 179.45 177.89 1jbg h GLN 92 N -0.71 0.43 -0.72 1.90 -0.00 -1.00 0.12 115.11 115.13 1jbg h GLN 92 Ca -0.03 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.53 1jbg h GLN 92 Cb 0.49 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.84 1jbg h GLN 92 CO 0.06 0.29 0.22 -0.09 0.00 0.00 0.00 178.83 179.30 1jbg h ARG 93 N 0.45 1.12 -0.15 1.69 2.43 -1.15 -1.45 114.38 117.32 1jbg h ARG 93 Ca 0.29 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1jbg h ARG 93 Cb 0.54 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1jbg h ARG 93 CO -0.09 0.97 0.08 0.52 -1.51 0.00 0.00 179.97 179.94 1jbg h MET 94 N 1.07 0.21 -0.91 0.20 2.86 -0.48 -2.08 114.93 115.80 1jbg h MET 94 Ca 0.23 -0.03 0.16 0.00 -2.06 0.00 0.00 59.70 58.00 1jbg h MET 94 Cb 0.31 -0.04 -0.10 0.00 0.06 0.00 0.00 31.60 31.84 1jbg h MET 94 CO -0.01 0.25 0.50 0.22 1.06 0.00 0.00 176.91 178.93 1jbg h ASP 95 N 0.13 0.63 0.05 1.22 -0.00 -1.03 0.22 116.42 117.64 1jbg h ASP 95 Ca 0.05 0.09 -0.00 0.00 -0.00 0.00 0.00 57.03 57.17 1jbg h ASP 95 Cb 0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 39.41 1jbg h ASP 95 CO -0.01 0.25 -0.02 -0.08 -0.00 0.00 0.00 179.24 179.38 1jbg h GLU 96 N 0.69 -0.06 -0.83 0.28 4.57 -0.79 -0.74 114.58 117.70 1jbg h GLU 96 Ca 0.50 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.81 1jbg h GLU 96 Cb 0.72 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.23 1jbg h GLU 96 CO -0.36 0.18 0.44 0.52 -1.18 0.00 0.00 179.01 178.61 1jbg h MET 97 N -0.30 0.65 -0.26 1.92 2.86 -0.57 0.15 114.93 119.38 1jbg h MET 97 Ca -0.01 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1jbg h MET 97 Cb 0.27 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1jbg h MET 97 CO 0.01 0.43 0.07 0.82 1.06 0.00 0.00 176.91 179.31 1jbg h ILE 98 N 0.67 1.21 0.25 -1.22 2.04 -0.41 -2.15 117.51 117.90 1jbg h ILE 98 Ca 0.43 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1jbg h ILE 98 Cb 0.54 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1jbg h ILE 98 CO -0.32 0.22 -0.30 1.56 0.00 0.00 0.00 178.15 179.30 1jbg h GLN 99 N 0.25 -0.58 -1.08 2.37 4.20 -0.08 -0.33 115.11 119.85 1jbg h GLN 99 Ca 0.08 0.04 0.31 0.00 0.06 0.00 0.00 58.65 59.14 1jbg h GLN 99 Cb 0.26 0.13 -0.12 0.00 0.30 0.00 0.00 27.48 28.06 1jbg h GLN 99 CO -0.00 -0.39 0.68 1.15 -0.67 0.00 0.00 178.83 179.60 1jbg h THR 100 N -0.61 0.40 -0.23 -0.54 2.02 -0.58 0.12 112.91 113.50 1jbg h THR 100 Ca -0.00 -0.12 -0.18 0.00 0.77 0.00 0.00 66.41 66.88 1jbg h THR 100 Cb 0.58 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1jbg h THR 100 CO -0.09 0.06 -0.58 0.40 0.37 0.00 0.00 175.52 175.68 1jbg h ILE 101 N 0.35 1.29 -0.72 3.11 2.04 -0.48 -2.60 117.51 120.50 1jbg h ILE 101 Ca 0.67 -1.78 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 1jbg h ILE 101 Cb 1.71 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 39.55 1jbg h ILE 101 CO -0.40 0.57 0.33 0.44 0.00 0.00 0.00 178.15 179.09 1jbg h ASP 102 N 0.54 0.95 -0.75 1.72 3.32 0.74 -0.94 116.42 122.00 1jbg h ASP 102 Ca -0.01 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1jbg h ASP 102 Cb 1.19 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.46 1jbg h ASP 102 CO 0.13 0.83 0.43 -0.09 -1.72 0.00 0.00 179.24 178.81 1jbg h ARG 103 N 1.01 1.04 -0.38 3.56 2.43 -1.01 -2.50 114.38 118.51 1jbg h ARG 103 Ca 0.24 -0.11 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 1jbg h ARG 103 Cb 0.14 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1jbg h ARG 103 CO -0.03 0.75 -0.28 1.79 -1.51 0.00 0.00 179.97 180.69 1jbg h THR 104 N 1.03 1.28 0.00 0.20 1.35 -1.23 -3.16 112.91 112.38 1jbg h THR 104 Ca 0.27 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1jbg h THR 104 Cb 0.00 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1jbg h THR 104 CO -0.05 0.48 0.00 0.18 -0.25 0.00 0.00 175.52 175.88 1jbg n LEU 105 N -4.09 3.59 -1.53 3.87 4.32 -0.38 -3.42 117.00 119.38 1jbg n LEU 105 Ca -0.01 -1.68 -0.08 0.00 -0.02 0.00 0.00 56.01 54.23 1jbg n LEU 105 Cb 0.47 -0.71 0.09 0.00 -1.62 0.00 0.00 43.42 41.66 1jbg n LEU 105 CO 0.46 0.65 0.22 0.18 -1.22 0.00 0.00 177.39 177.68 1jbg n LEU 106 N 1.11 3.41 0.00 2.23 4.77 -1.19 -4.98 117.00 122.35 1jbg n LEU 106 Ca 0.00 -4.02 0.00 0.00 -0.03 0.00 0.00 56.01 51.96 1jbg n LEU 106 Cb 0.42 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1jbg n LEU 106 CO 0.00 1.60 0.00 -1.20 -1.33 0.00 0.00 177.39 176.46