#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnd n HIS 46 N -4.64 -3.66 0.17 0.00 1.44 -1.26 -4.95 115.22 102.32 2jnd n HIS 46 Ca -0.09 0.95 0.02 0.00 -2.01 0.00 0.00 57.72 56.59 2jnd n HIS 46 Cb 0.28 2.55 -0.02 0.00 0.12 0.00 0.00 29.99 32.91 2jnd n HIS 46 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2jnd n ARG 47 N -3.09 5.48 -0.38 -1.40 5.12 -1.26 -4.01 116.66 117.14 2jnd n ARG 47 Ca 0.00 -0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2jnd n ARG 47 Cb 0.00 -0.70 0.05 0.00 -1.16 0.00 0.00 32.46 30.66 2jnd n ARG 47 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2jnd n THR 48 N -1.12 -0.50 -1.15 0.55 -2.24 -1.26 -3.33 114.28 105.23 2jnd n THR 48 Ca 0.01 2.30 0.00 0.00 -2.27 0.00 0.00 64.05 64.08 2jnd n THR 48 Cb 0.06 -3.06 0.00 0.00 -2.10 0.00 0.00 70.33 65.23 2jnd n THR 48 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2jnd n THR 49 N -5.47 0.01 -0.26 4.28 -1.04 -1.26 -4.99 114.28 105.55 2jnd n THR 49 Ca 0.11 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2jnd n THR 49 Cb 0.41 0.92 0.00 0.00 -1.82 0.00 0.00 70.33 69.84 2jnd n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jnd n ILE 50 N -0.00 0.00 0.00 12.58 3.06 -1.21 -4.55 119.36 129.23 2jnd n ILE 50 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2jnd n ILE 50 Cb 0.53 -0.17 0.00 0.00 0.54 0.00 0.00 39.64 40.54 2jnd n ILE 50 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2jnd n GLY 51 N -2.00 -0.10 3.39 4.50 0.00 -1.26 -4.99 105.19 104.73 2jnd n GLY 51 Ca 0.00 -1.33 -0.20 0.00 0.00 0.00 0.00 46.02 44.49 2jnd n GLY 51 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jnd s ASN 52 N -0.64 2.51 0.28 1.61 0.01 -1.26 -5.12 114.94 112.34 2jnd s ASN 52 Ca 0.00 -1.17 -0.01 0.00 -0.71 0.00 0.00 52.86 50.96 2jnd s ASN 52 Cb 0.00 -0.12 -0.02 0.00 0.41 0.00 0.00 41.25 41.52 2jnd s ASN 52 CO 0.00 -0.36 0.32 0.72 -1.51 0.00 0.00 177.10 176.27 2jnd s PHE 53 N -3.10 1.15 -0.21 2.20 -0.12 -1.26 -5.03 117.98 111.60 2jnd s PHE 53 Ca 0.28 -1.32 -0.05 0.00 -0.05 0.00 0.00 56.93 55.79 2jnd s PHE 53 Cb 0.04 -0.34 0.01 0.00 -0.63 0.00 0.00 43.02 42.09 2jnd s PHE 53 CO 0.10 -0.89 0.26 0.45 -0.05 0.00 0.00 175.22 175.09 2jnd n SER 54 N -0.93 -4.44 -3.61 1.98 2.88 -1.26 -5.10 113.62 103.15 2jnd n SER 54 Ca 0.02 0.15 -0.01 0.00 -1.33 0.00 0.00 58.87 57.70 2jnd n SER 54 Cb 0.63 -2.80 -0.01 0.00 -0.75 0.00 0.00 64.21 61.28 2jnd n SER 54 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2jnd s GLY 55 N -1.87 -0.34 1.08 0.46 0.00 -1.26 -5.18 107.32 100.21 2jnd s GLY 55 Ca 0.07 1.31 -0.16 0.00 0.00 0.00 0.00 44.72 45.94 2jnd s GLY 55 CO 0.31 0.39 1.15 2.56 0.00 0.00 0.00 173.10 177.52 2jnd s PRO 56 N -2.31 -0.23 -0.20 2.90 0.04 -1.26 -5.06 135.00 128.88 2jnd s PRO 56 Ca 0.12 0.00 -0.00 0.00 0.04 0.00 0.00 61.00 61.16 2jnd s PRO 56 Cb 0.02 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 32.87 2jnd s PRO 56 CO -0.04 -3.06 -0.15 1.52 0.04 0.00 0.00 177.00 175.31 2jnd s TYR 57 N -3.23 2.89 0.18 0.56 1.13 -1.26 -4.92 117.35 112.70 2jnd s TYR 57 Ca 0.70 -1.56 0.00 0.00 -1.41 0.00 0.00 57.07 54.80 2jnd s TYR 57 Cb -0.11 -1.97 0.00 0.00 -1.10 0.00 0.00 41.96 38.78 2jnd s TYR 57 CO 0.55 -0.76 0.00 0.25 -2.51 0.00 0.00 175.55 173.09 2jnd n THR 58 N 4.64 0.00 -3.09 -3.49 -2.24 -1.25 -4.69 114.28 104.17 2jnd n THR 58 Ca -0.19 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.19 2jnd n THR 58 Cb 0.49 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 2jnd n THR 58 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2jnd s TYR 59 N -1.40 3.59 0.21 4.78 -0.85 -1.26 -3.93 117.35 118.49 2jnd s TYR 59 Ca 0.00 1.22 -0.30 0.00 -0.52 0.00 0.00 57.07 57.47 2jnd s TYR 59 Cb 0.00 -2.76 -0.08 0.00 0.38 0.00 0.00 41.96 39.50 2jnd s TYR 59 CO 0.00 0.14 1.17 0.00 -1.52 0.00 0.00 175.55 175.33 2jnd s ASN 61 N -0.12 4.07 -0.43 0.00 -0.87 -1.26 0.15 114.94 116.48 2jnd s ASN 61 Ca 0.51 -1.04 -0.40 0.00 -1.57 0.00 0.00 52.86 50.36 2jnd s ASN 61 Cb -0.32 -0.49 -0.17 0.00 -0.02 0.00 0.00 41.25 40.25 2jnd s ASN 61 CO 0.38 -0.22 1.61 1.07 -2.57 0.00 0.00 177.10 177.36 2jnd n THR 62 N -0.91 0.00 -4.35 1.60 5.66 -1.23 -4.62 114.28 110.43 2jnd n THR 62 Ca -0.04 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.68 2jnd n THR 62 Cb 0.63 -0.43 -0.11 0.00 -1.55 0.00 0.00 70.33 68.86 2jnd n THR 62 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2jnd s THR 63 N 3.81 2.65 0.48 1.09 2.01 0.27 0.80 115.64 126.75 2jnd s THR 63 Ca 0.97 -1.75 0.09 0.00 0.31 0.00 0.00 61.69 61.31 2jnd s THR 63 Cb -1.30 -2.25 0.04 0.00 0.01 0.00 0.00 72.50 69.00 2jnd s THR 63 CO 0.65 -0.01 0.63 -0.22 -0.69 0.00 0.00 174.62 174.98 2jnd s LEU 64 N -2.43 3.39 0.10 4.42 0.20 -1.26 0.13 118.68 123.23 2jnd s LEU 64 Ca 0.19 -0.64 -0.07 0.00 0.69 0.00 0.00 54.13 54.30 2jnd s LEU 64 Cb -0.09 -2.16 -0.01 0.00 -0.43 0.00 0.00 46.19 43.50 2jnd s LEU 64 CO 0.10 -0.99 0.16 -1.81 -0.29 0.00 0.00 176.35 173.53 2jnd s ASP 65 N -4.45 0.18 0.33 3.68 1.01 -1.21 -4.85 116.67 111.35 2jnd s ASP 65 Ca 0.56 -0.79 0.03 0.00 0.71 0.00 0.00 52.55 53.06 2jnd s ASP 65 Cb -0.07 0.33 0.64 0.00 1.01 0.00 0.00 42.92 44.82 2jnd s ASP 65 CO 0.34 -0.74 1.92 -0.61 0.21 0.00 0.00 175.17 176.29 2jnd h GLN 66 N 2.78 0.87 -0.01 8.23 -0.00 -2.01 0.43 115.11 125.40 2jnd h GLN 66 Ca -0.34 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.26 2jnd h GLN 66 Cb 1.20 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 28.48 2jnd h GLN 66 CO 0.56 0.58 -0.02 -0.89 0.00 0.00 0.00 178.83 179.06 2jnd n ILE 67 N -4.50 0.00 -0.60 2.39 5.41 -1.26 -4.88 119.36 115.92 2jnd n ILE 67 Ca 0.13 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.79 2jnd n ILE 67 Cb 0.24 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.08 2jnd n ILE 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jnd n GLY 68 N 1.12 0.67 3.56 7.39 0.00 0.14 -5.00 105.19 113.07 2jnd n GLY 68 Ca 0.20 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2jnd n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jnd s THR 69 N -2.00 3.72 -0.06 2.61 2.01 -1.26 -4.75 115.64 115.92 2jnd s THR 69 Ca 0.00 -0.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 2jnd s THR 69 Cb 0.00 -4.70 -0.03 0.00 0.01 0.00 0.00 72.50 67.78 2jnd s THR 69 CO 0.00 -1.61 1.18 0.00 -0.69 0.00 0.00 174.62 173.50 2jnd s TRP 71 N 2.18 3.19 0.78 0.00 0.52 0.35 -4.90 118.94 121.05 2jnd s TRP 71 Ca 0.55 -0.79 -0.13 0.00 0.02 0.00 0.00 56.10 55.75 2jnd s TRP 71 Cb -0.24 -2.36 0.20 0.00 -1.15 0.00 0.00 33.47 29.92 2jnd s TRP 71 CO 0.22 -0.54 0.47 -0.35 0.02 0.00 0.00 176.95 176.76 2jnd n PRO 72 N 4.96 -3.49 -1.34 4.98 -0.04 -1.26 0.96 135.00 139.76 2jnd n PRO 72 Ca -0.13 -0.78 -0.35 0.00 -0.04 0.00 0.00 63.50 62.20 2jnd n PRO 72 Cb 0.48 -1.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.04 2jnd n PRO 72 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2jnd n GLN 73 N -4.00 0.53 -0.10 0.54 6.02 -1.26 -4.04 117.38 115.07 2jnd n GLN 73 Ca 0.07 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 2jnd n GLN 73 Cb 0.32 -2.41 0.00 0.00 1.02 0.00 0.00 30.24 29.17 2jnd n GLN 73 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2jnd n SER 74 N -2.50 0.00 -3.58 1.08 2.88 0.41 -4.92 113.62 107.00 2jnd n SER 74 Ca 0.14 -0.07 -0.03 0.00 -1.33 0.00 0.00 58.87 57.58 2jnd n SER 74 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2jnd n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jnd s ALA 75 N -1.00 -1.70 0.34 -1.46 0.00 -1.26 0.13 121.76 116.80 2jnd s ALA 75 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 51.96 51.67 2jnd s ALA 75 Cb 0.00 0.66 -0.12 0.00 0.00 0.00 0.00 23.12 23.66 2jnd s ALA 75 CO 0.00 -1.06 1.34 -0.35 0.00 0.00 0.00 175.76 175.70 2jnd n PRO 76 N -0.57 2.24 -1.19 0.00 -0.04 -1.25 -1.96 135.00 132.22 2jnd n PRO 76 Ca -0.05 0.79 -0.07 0.00 -0.04 0.00 0.00 63.50 64.13 2jnd n PRO 76 Cb 0.60 -2.41 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 2jnd n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jnd n GLY 77 N 0.86 0.83 3.29 0.55 0.00 -0.65 -4.90 105.19 105.17 2jnd n GLY 77 Ca 0.05 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2jnd n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jnd s ALA 78 N -2.04 2.79 -0.58 4.61 0.00 -0.83 -4.96 121.76 120.75 2jnd s ALA 78 Ca 0.00 -1.22 -0.22 0.00 0.00 0.00 0.00 51.96 50.52 2jnd s ALA 78 Cb 0.00 -1.70 0.06 0.00 0.00 0.00 0.00 23.12 21.48 2jnd s ALA 78 CO 0.00 -0.49 0.85 -1.17 0.00 0.00 0.00 175.76 174.95 2jnd s LEU 79 N 1.45 4.52 -0.18 0.00 1.98 -1.26 -0.64 118.68 124.55 2jnd s LEU 79 Ca 0.05 -0.80 -0.28 0.00 -2.89 0.00 0.00 54.13 50.22 2jnd s LEU 79 Cb -0.15 -2.55 -0.01 0.00 0.66 0.00 0.00 46.19 44.15 2jnd s LEU 79 CO -0.04 -1.21 0.95 0.54 -1.89 0.00 0.00 176.35 174.70 2jnd s VAL 80 N 3.57 4.79 0.16 1.68 0.11 0.92 -4.87 120.40 126.75 2jnd s VAL 80 Ca 0.22 1.87 0.09 0.00 -2.93 0.00 0.00 61.98 61.24 2jnd s VAL 80 Cb -0.17 -4.24 -0.04 0.00 -1.53 0.00 0.00 36.38 30.40 2jnd s VAL 80 CO 0.13 -0.05 -0.15 -1.61 -3.33 0.00 0.00 175.10 170.09 2jnd s GLU 81 N 2.50 1.88 -0.13 1.54 2.02 -1.26 0.39 118.70 125.64 2jnd s GLU 81 Ca 0.43 -1.27 -0.34 0.00 0.02 0.00 0.00 54.97 53.81 2jnd s GLU 81 Cb -0.16 -2.10 0.14 0.00 0.10 0.00 0.00 34.13 32.10 2jnd s GLU 81 CO 0.12 0.45 1.32 -0.98 0.02 0.00 0.00 175.26 176.19 2jnd s ARG 82 N -2.54 0.22 0.08 1.61 1.04 -0.80 -4.97 118.95 113.59 2jnd s ARG 82 Ca 0.22 -0.11 -0.31 0.00 -1.04 0.00 0.00 55.73 54.49 2jnd s ARG 82 Cb -0.09 0.08 -0.07 0.00 -2.04 0.00 0.00 34.95 32.83 2jnd s ARG 82 CO 0.13 -0.10 1.41 -1.25 -0.04 0.00 0.00 175.30 175.45 2jnd s PRO 83 N -2.26 4.30 0.54 3.89 0.04 -1.26 0.50 135.00 140.76 2jnd s PRO 83 Ca 0.13 2.06 -0.18 0.00 0.04 0.00 0.00 61.00 63.05 2jnd s PRO 83 Cb 0.03 -3.36 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 2jnd s PRO 83 CO -0.04 -0.49 1.07 0.00 0.04 0.00 0.00 177.00 177.58 2jnd n PRO 85 N -1.47 2.23 0.22 0.00 -0.04 -1.26 -4.49 135.00 130.19 2jnd n PRO 85 Ca 0.10 -1.34 0.06 0.00 -0.04 0.00 0.00 63.50 62.27 2jnd n PRO 85 Cb 0.52 -2.29 0.48 0.00 -0.04 0.00 0.00 33.50 32.17 2jnd n PRO 85 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2jnd h GLU 86 N 4.93 0.00 -1.99 0.54 4.81 -1.93 -3.00 114.58 117.94 2jnd h GLU 86 Ca 0.44 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.39 2jnd h GLU 86 Cb 0.59 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.87 2jnd h GLU 86 CO 1.05 0.25 -0.12 0.66 -0.73 0.00 0.00 179.01 180.11 2jnd n TYR 87 N -4.10 0.51 -0.31 0.92 4.01 -1.26 -4.51 117.16 112.41 2jnd n TYR 87 Ca -0.02 -1.62 -0.14 0.00 -0.16 0.00 0.00 57.90 55.96 2jnd n TYR 87 Cb 0.31 -1.47 0.10 0.00 -0.31 0.00 0.00 39.34 37.96 2jnd n TYR 87 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jnd n PHE 88 N 1.93 1.73 0.00 -0.72 -0.00 -1.13 -4.30 117.46 114.95 2jnd n PHE 88 Ca 0.43 -1.33 0.00 0.00 -0.00 0.00 0.00 57.45 56.54 2jnd n PHE 88 Cb 0.78 -0.68 0.00 0.00 -0.00 0.00 0.00 39.48 39.59 2jnd n PHE 88 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2jnd n ASN 89 N -0.37 0.00 0.00 -2.13 0.23 -1.26 -5.04 115.26 106.69 2jnd n ASN 89 Ca 0.34 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 2jnd n ASN 89 Cb 1.11 0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.86 2jnd n ASN 89 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jnd n GLY 90 N -0.92 0.59 3.02 4.83 0.00 -1.26 -5.16 105.19 106.28 2jnd n GLY 90 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2jnd n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jnd s ILE 91 N -0.65 0.74 0.00 -0.61 1.01 -1.26 -5.12 121.20 115.31 2jnd s ILE 91 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2jnd s ILE 91 Cb 0.00 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.84 2jnd s ILE 91 CO 0.00 0.22 0.00 1.17 0.00 0.00 0.00 174.94 176.33 2jnd n LYS 92 N 2.95 0.00 -0.49 2.79 0.00 -1.26 -4.47 118.16 117.68 2jnd n LYS 92 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.17 2jnd n LYS 92 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.59 2jnd n LYS 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2jnd n TYR 93 N -1.33 0.00 0.00 5.64 4.02 -1.26 -5.03 117.16 119.20 2jnd n TYR 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2jnd n TYR 93 Cb 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 2jnd n TYR 93 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2jnd n ASN 94 N 0.00 0.00 -2.17 7.72 2.85 -1.26 -5.09 115.26 117.31 2jnd n ASN 94 Ca 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.44 2jnd n ASN 94 Cb 0.64 0.06 -0.02 0.00 1.24 0.00 0.00 39.78 41.70 2jnd n ASN 94 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2jnd n THR 95 N -1.08 -8.85 -1.45 -0.44 -1.04 -1.26 -5.03 114.28 95.12 2jnd n THR 95 Ca 0.00 1.60 0.02 0.00 -2.04 0.00 0.00 64.05 63.63 2jnd n THR 95 Cb 0.00 -5.42 0.03 0.00 -1.82 0.00 0.00 70.33 63.11 2jnd n THR 95 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2jnd n THR 96 N 0.93 0.46 -3.87 12.58 5.66 -1.26 -5.09 114.28 123.69 2jnd n THR 96 Ca -0.22 -0.54 -0.22 0.00 -3.05 0.00 0.00 64.05 60.02 2jnd n THR 96 Cb 0.33 0.45 -0.05 0.00 -1.55 0.00 0.00 70.33 69.52 2jnd n THR 96 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2jnd s ARG 97 N -0.67 2.48 0.09 1.09 1.81 -1.26 -5.15 118.95 117.35 2jnd s ARG 97 Ca 0.07 -1.53 -0.00 0.00 -1.72 0.00 0.00 55.73 52.55 2jnd s ARG 97 Cb 0.06 -2.28 -0.04 0.00 -0.45 0.00 0.00 34.95 32.24 2jnd s ARG 97 CO 0.01 -0.02 -0.02 0.54 -0.68 0.00 0.00 175.30 175.13 2jnd s ASN 98 N -3.98 0.70 -0.15 0.23 4.22 -1.26 -4.74 114.94 109.95 2jnd s ASN 98 Ca 0.42 -1.06 -0.14 0.00 -2.14 0.00 0.00 52.86 49.95 2jnd s ASN 98 Cb -0.03 0.18 -0.05 0.00 1.28 0.00 0.00 41.25 42.64 2jnd s ASN 98 CO 0.25 -0.59 0.29 0.00 -2.04 0.00 0.00 177.10 175.01 2jnd s ALA 99 N -3.84 3.61 -0.34 3.54 0.00 0.18 -4.50 121.76 120.40 2jnd s ALA 99 Ca 0.13 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.57 2jnd s ALA 99 Cb 0.07 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 20.85 2jnd s ALA 99 CO -0.05 0.12 0.11 0.71 0.00 0.00 0.00 175.76 176.65 2jnd s TYR 100 N 0.36 3.25 -0.36 0.00 1.51 -1.26 -1.90 117.35 118.95 2jnd s TYR 100 Ca 0.16 -1.35 0.02 0.00 -1.01 0.00 0.00 57.07 54.89 2jnd s TYR 100 Cb -0.13 -2.29 0.11 0.00 -0.11 0.00 0.00 41.96 39.54 2jnd s TYR 100 CO 0.04 -0.71 0.11 0.50 -1.11 0.00 0.00 175.55 174.38 2jnd s ARG 101 N 1.42 1.19 0.43 -0.62 3.52 0.16 -3.20 118.95 121.85 2jnd s ARG 101 Ca -0.01 -1.64 -0.11 0.00 -0.13 0.00 0.00 55.73 53.84 2jnd s ARG 101 Cb -0.19 -2.61 -0.06 0.00 -1.56 0.00 0.00 34.95 30.53 2jnd s ARG 101 CO 0.03 -1.01 0.80 -2.00 -0.81 0.00 0.00 175.30 172.32 2jnd s GLU 102 N 1.00 3.78 -0.19 5.12 2.12 -1.26 -0.06 118.70 129.22 2jnd s GLU 102 Ca 0.12 0.52 -0.07 0.00 0.36 0.00 0.00 54.97 55.90 2jnd s GLU 102 Cb -0.20 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.80 2jnd s GLU 102 CO -0.13 -0.08 0.06 0.00 -0.54 0.00 0.00 175.26 174.57 2jnd n LEU 104 N 3.77 4.87 -0.16 0.00 4.77 0.52 -1.64 117.00 129.14 2jnd n LEU 104 Ca -0.16 0.93 0.09 0.00 -0.03 0.00 0.00 56.01 56.84 2jnd n LEU 104 Cb 0.52 -1.51 0.41 0.00 -2.33 0.00 0.00 43.42 40.51 2jnd n LEU 104 CO 0.34 -0.99 1.21 -0.08 -1.33 0.00 0.00 177.39 176.54 2jnd h GLU 105 N 1.16 0.60 0.00 3.23 4.81 -1.90 0.08 114.58 122.55 2jnd h GLU 105 Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2jnd h GLU 105 Cb 1.32 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2jnd h GLU 105 CO 0.55 0.39 0.00 0.09 -0.73 0.00 0.00 179.01 179.32 2jnd n ASN 106 N -4.49 0.00 -0.21 1.04 3.02 -1.26 -4.68 115.26 108.68 2jnd n ASN 106 Ca 0.11 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 2jnd n ASN 106 Cb 0.32 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2jnd n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jnd n GLY 107 N -0.39 0.77 3.22 7.41 0.00 0.00 -4.56 105.19 111.64 2jnd n GLY 107 Ca 0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 2jnd n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jnd s THR 108 N -1.99 0.10 0.52 2.61 -4.23 -1.16 -3.89 115.64 107.60 2jnd s THR 108 Ca 0.00 -1.68 -0.18 0.00 -1.18 0.00 0.00 61.69 58.64 2jnd s THR 108 Cb 0.00 -1.91 -0.07 0.00 1.34 0.00 0.00 72.50 71.86 2jnd s THR 108 CO 0.00 -0.44 1.03 0.26 -0.54 0.00 0.00 174.62 174.92 2jnd s TRP 109 N -4.00 3.11 0.47 3.99 0.52 -1.26 0.20 118.94 121.96 2jnd s TRP 109 Ca 0.20 1.54 -0.22 0.00 0.02 0.00 0.00 56.10 57.64 2jnd s TRP 109 Cb 0.06 -2.97 -0.08 0.00 -1.15 0.00 0.00 33.47 29.33 2jnd s TRP 109 CO -0.00 -0.76 1.09 0.00 0.02 0.00 0.00 176.95 177.30 2jnd s ALA 110 N -2.28 2.91 0.12 0.98 0.00 -0.96 -4.58 121.76 117.94 2jnd s ALA 110 Ca 0.64 0.74 -0.23 0.00 0.00 0.00 0.00 51.96 53.12 2jnd s ALA 110 Cb -0.14 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 2jnd s ALA 110 CO 0.27 -0.45 1.69 1.03 0.00 0.00 0.00 175.76 178.30 2jnd h SER 111 N 1.82 -0.31 -1.79 0.00 0.87 -1.95 -3.45 113.55 108.74 2jnd h SER 111 Ca -0.49 0.05 -0.60 0.00 -1.23 0.00 0.00 61.79 59.52 2jnd h SER 111 Cb 1.23 0.14 -0.13 0.00 -0.44 0.00 0.00 62.40 63.20 2jnd h SER 111 CO 0.60 -0.14 -0.57 0.00 -0.53 0.00 0.00 176.83 176.19 2jnd s ARG 112 N -6.16 1.96 0.20 2.24 3.03 -1.26 -5.17 118.95 113.79 2jnd s ARG 112 Ca -0.14 -2.16 0.06 0.00 2.03 0.00 0.00 55.73 55.52 2jnd s ARG 112 Cb 0.09 -1.33 -0.05 0.00 -1.03 0.00 0.00 34.95 32.63 2jnd s ARG 112 CO 0.67 -0.22 -0.12 0.08 -1.13 0.00 0.00 175.30 174.58 2jnd s VAL 113 N -2.94 1.52 -0.53 4.99 1.01 -1.26 -4.85 120.40 118.35 2jnd s VAL 113 Ca 0.25 -2.15 -0.28 0.00 0.00 0.00 0.00 61.98 59.80 2jnd s VAL 113 Cb 0.06 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.43 2jnd s VAL 113 CO 0.13 -0.59 1.14 0.20 0.00 0.00 0.00 175.10 175.98 2jnd s ASN 114 N -3.29 6.53 -0.01 3.32 -0.87 -1.19 -4.82 114.94 114.61 2jnd s ASN 114 Ca 0.22 0.25 0.12 0.00 -1.57 0.00 0.00 52.86 51.88 2jnd s ASN 114 Cb 0.01 -2.54 -0.17 0.00 -0.02 0.00 0.00 41.25 38.53 2jnd s ASN 114 CO 0.06 -1.35 0.39 -1.22 -2.57 0.00 0.00 177.10 172.41 2jnd n TYR 115 N 8.06 0.00 -0.09 2.20 4.01 -1.26 -4.40 117.16 125.68 2jnd n TYR 115 Ca 0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.72 2jnd n TYR 115 Cb 0.49 -0.15 -0.04 0.00 -0.31 0.00 0.00 39.34 39.33 2jnd n TYR 115 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2jnd h SER 116 N 0.00 0.49 -0.60 7.72 4.64 -1.99 -3.17 113.55 120.65 2jnd h SER 116 Ca 0.00 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2jnd h SER 116 Cb 0.44 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 2jnd h SER 116 CO 0.00 0.73 0.36 -0.74 -0.87 0.00 0.00 176.83 176.31 2jnd h HIS 117 N 0.25 0.79 0.00 4.77 6.17 -1.91 -3.27 115.15 121.95 2jnd h HIS 117 Ca 0.07 -0.00 -0.64 0.00 0.71 0.00 0.00 60.37 60.51 2jnd h HIS 117 Cb 0.50 -0.26 0.02 0.00 2.52 0.00 0.00 27.41 30.19 2jnd h HIS 117 CO 0.05 0.54 2.66 0.00 0.71 0.00 0.00 177.93 181.88 2jnd s GLU 119 N 4.16 3.39 1.22 0.00 -1.05 -1.24 -4.99 118.70 120.20 2jnd s GLU 119 Ca 0.53 -0.40 -0.15 0.00 -0.15 0.00 0.00 54.97 54.80 2jnd s GLU 119 Cb 0.14 -2.66 0.29 0.00 -0.44 0.00 0.00 34.13 31.47 2jnd s GLU 119 CO 0.03 0.08 0.87 -0.35 0.95 0.00 0.00 175.26 176.85 2jnd n PRO 120 N -1.82 -2.81 0.15 -4.83 -0.04 -1.26 -4.87 135.00 119.52 2jnd n PRO 120 Ca -0.04 -0.80 0.12 0.00 -0.04 0.00 0.00 63.50 62.74 2jnd n PRO 120 Cb 0.57 -2.07 0.54 0.00 -0.04 0.00 0.00 33.50 32.49 2jnd n PRO 120 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2jnd n ILE 121 N -5.09 0.90 0.74 0.52 -0.00 -1.26 -5.03 119.36 110.14 2jnd n ILE 121 Ca 0.03 0.42 0.09 0.00 -0.00 0.00 0.00 62.75 63.29 2jnd n ILE 121 Cb 0.55 -1.39 0.07 0.00 -0.00 0.00 0.00 39.64 38.88 2jnd n ILE 121 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44