#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 -2.13 0.00 -2.89 0.00 8.25 -1.26 -4.90 115.22 112.30 2jnd n HIS 46 Ca -0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.11 2jnd n HIS 46 Cb 0.59 -0.52 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 2jnd n HIS 46 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jnd s ARG 47 N -2.27 3.54 0.00 -0.41 1.81 -1.26 -3.43 118.95 116.93 2jnd s ARG 47 Ca -0.20 0.05 0.00 0.00 -1.72 0.00 0.00 55.73 53.86 2jnd s ARG 47 Cb 0.07 -2.47 0.00 0.00 -0.45 0.00 0.00 34.95 32.10 2jnd s ARG 47 CO 0.27 -0.08 0.00 2.41 -0.68 0.00 0.00 175.30 177.22 2jnd n THR 48 N -2.04 0.00 -2.79 0.02 -1.04 -1.26 -4.66 114.28 102.51 2jnd n THR 48 Ca -0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.88 2jnd n THR 48 Cb 0.55 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.08 2jnd n THR 48 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2jnd n THR 49 N 0.00 0.76 -0.08 12.58 5.66 -1.26 -4.89 114.28 127.06 2jnd n THR 49 Ca 0.00 -3.54 -0.15 0.00 -3.05 0.00 0.00 64.05 57.32 2jnd n THR 49 Cb 0.00 0.35 -0.14 0.00 -1.55 0.00 0.00 70.33 68.99 2jnd n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jnd n ILE 50 N 0.01 1.54 0.00 1.09 3.06 -1.22 -4.88 119.36 118.96 2jnd n ILE 50 Ca 0.14 -0.72 0.00 0.00 -2.50 0.00 0.00 62.75 59.68 2jnd n ILE 50 Cb 0.77 -1.12 0.00 0.00 0.54 0.00 0.00 39.64 39.83 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 1.93 0.02 1.32 4.50 0.00 -1.26 -5.12 105.19 106.58 2jnd n GLY 51 Ca -0.34 0.00 0.18 0.00 0.00 0.00 0.00 46.02 45.85 2jnd n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jnd n ASN 52 N -0.15 -7.87 -2.43 1.61 4.13 -1.26 -5.05 115.26 104.23 2jnd n ASN 52 Ca 0.00 0.67 -0.10 0.00 1.68 0.00 0.00 54.58 56.83 2jnd n ASN 52 Cb 0.00 -4.09 -0.01 0.00 -1.54 0.00 0.00 39.78 34.14 2jnd n ASN 52 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2jnd n PHE 53 N -4.03 -1.38 -2.55 3.10 3.72 -1.26 -5.03 117.46 110.02 2jnd n PHE 53 Ca -0.01 -1.64 -0.04 0.00 -0.05 0.00 0.00 57.45 55.71 2jnd n PHE 53 Cb 0.61 0.47 0.02 0.00 -0.94 0.00 0.00 39.48 39.64 2jnd n PHE 53 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jnd n SER 54 N -1.67 -5.41 -2.67 4.37 7.64 -1.26 -5.03 113.62 109.60 2jnd n SER 54 Ca -0.01 -0.22 -0.04 0.00 1.01 0.00 0.00 58.87 59.61 2jnd n SER 54 Cb 0.43 -3.66 0.10 0.00 -1.01 0.00 0.00 64.21 60.07 2jnd n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jnd n GLY 55 N -1.42 -1.46 0.18 0.23 0.00 -1.26 -5.02 105.19 96.44 2jnd n GLY 55 Ca -0.02 0.86 0.14 0.00 0.00 0.00 0.00 46.02 47.00 2jnd n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jnd h PRO 56 N 2.55 0.00 0.00 1.61 0.13 -2.00 -3.47 132.00 130.82 2jnd h PRO 56 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2jnd h PRO 56 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jnd h PRO 56 CO -0.06 0.00 0.15 0.98 -0.23 0.00 0.00 178.00 178.85 2jnd n TYR 57 N -2.66 -1.59 -3.88 1.56 9.36 -1.26 -5.01 117.16 113.68 2jnd n TYR 57 Ca 0.03 -0.87 -0.27 0.00 3.32 0.00 0.00 57.90 60.11 2jnd n TYR 57 Cb 0.36 0.43 -0.04 0.00 -0.63 0.00 0.00 39.34 39.47 2jnd n TYR 57 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2jnd n THR 58 N -0.27 -1.14 -3.65 2.97 -2.24 -1.24 -4.92 114.28 103.78 2jnd n THR 58 Ca -0.04 -0.38 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 2jnd n THR 58 Cb 0.29 -1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 67.40 2jnd n THR 58 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2jnd s TYR 59 N -3.98 -0.40 -0.11 4.78 2.02 -1.26 -4.25 117.35 114.14 2jnd s TYR 59 Ca 0.13 0.65 0.03 0.00 -0.37 0.00 0.00 57.07 57.52 2jnd s TYR 59 Cb -0.07 0.24 0.01 0.00 -0.40 0.00 0.00 41.96 41.74 2jnd s TYR 59 CO 0.72 -0.49 -0.20 0.00 -1.57 0.00 0.00 175.55 174.00 2jnd s ASN 61 N 0.66 4.88 0.15 0.00 4.22 -1.26 0.19 114.94 123.77 2jnd s ASN 61 Ca -0.12 -0.90 -0.33 0.00 -2.14 0.00 0.00 52.86 49.36 2jnd s ASN 61 Cb -0.16 -0.31 -0.17 0.00 1.28 0.00 0.00 41.25 41.89 2jnd s ASN 61 CO 0.03 -0.77 1.03 0.35 -2.04 0.00 0.00 177.10 175.70 2jnd n THR 62 N -1.59 0.94 -3.94 0.54 -2.24 -1.25 -4.50 114.28 102.24 2jnd n THR 62 Ca 0.02 -0.23 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 2jnd n THR 62 Cb 0.63 -0.55 -0.12 0.00 -2.10 0.00 0.00 70.33 68.19 2jnd n THR 62 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jnd s THR 63 N -0.31 0.08 0.44 4.28 -1.32 0.53 -4.95 115.64 114.39 2jnd s THR 63 Ca 0.75 -0.63 0.06 0.00 -1.21 0.00 0.00 61.69 60.65 2jnd s THR 63 Cb -0.94 -0.21 -0.05 0.00 -1.51 0.00 0.00 72.50 69.80 2jnd s THR 63 CO 0.54 -0.35 0.09 -0.22 -2.21 0.00 0.00 174.62 172.48 2jnd s LEU 64 N -1.03 2.81 0.00 9.08 2.96 -1.26 0.23 118.68 131.47 2jnd s LEU 64 Ca -0.11 -1.34 -0.06 0.00 -0.22 0.00 0.00 54.13 52.40 2jnd s LEU 64 Cb -0.07 -1.05 0.03 0.00 0.50 0.00 0.00 46.19 45.59 2jnd s LEU 64 CO -0.01 -0.62 0.54 -0.90 -1.32 0.00 0.00 176.35 174.04 2jnd n ASP 65 N -1.18 -1.55 -0.12 3.68 5.68 -1.26 -4.94 116.55 116.86 2jnd n ASP 65 Ca -0.07 -2.58 -0.10 0.00 -0.50 0.00 0.00 54.79 51.54 2jnd n ASP 65 Cb 0.66 2.72 -0.02 0.00 -1.14 0.00 0.00 41.12 43.34 2jnd n ASP 65 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2jnd h GLN 66 N 0.00 0.60 -0.02 0.11 5.75 -2.02 -2.91 115.11 116.63 2jnd h GLN 66 Ca -0.26 -0.16 -0.05 0.00 -0.15 0.00 0.00 58.65 58.03 2jnd h GLN 66 Cb 1.07 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 2jnd h GLN 66 CO 0.35 0.66 -0.23 0.82 -2.65 0.00 0.00 178.83 177.78 2jnd h ILE 67 N 0.44 1.17 0.00 2.39 2.04 -2.03 -3.47 117.51 118.05 2jnd h ILE 67 Ca 0.11 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2jnd h ILE 67 Cb 0.35 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2jnd h ILE 67 CO 0.01 0.23 0.00 0.61 0.00 0.00 0.00 178.15 179.00 2jnd n GLY 68 N -0.85 1.29 2.77 5.37 0.00 -1.10 -5.02 105.19 107.64 2jnd n GLY 68 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2jnd n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jnd n THR 69 N -1.70 3.81 -1.28 2.61 -1.04 -1.26 -4.90 114.28 110.52 2jnd n THR 69 Ca 0.00 -3.52 -0.60 0.00 -2.04 0.00 0.00 64.05 57.89 2jnd n THR 69 Cb 0.00 -2.51 -0.12 0.00 -1.82 0.00 0.00 70.33 65.88 2jnd n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jnd s TRP 71 N 5.92 3.08 0.90 0.00 0.52 0.63 -4.91 118.94 125.09 2jnd s TRP 71 Ca 1.19 0.03 -0.12 0.00 0.02 0.00 0.00 56.10 57.22 2jnd s TRP 71 Cb -1.48 -3.29 0.13 0.00 -1.15 0.00 0.00 33.47 27.68 2jnd s TRP 71 CO 0.66 -0.81 1.11 -1.25 0.02 0.00 0.00 176.95 176.68 2jnd s PRO 72 N 2.78 1.22 0.69 4.98 0.04 -1.26 0.20 135.00 143.66 2jnd s PRO 72 Ca 0.23 0.55 -0.17 0.00 0.04 0.00 0.00 61.00 61.65 2jnd s PRO 72 Cb -0.14 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 2jnd s PRO 72 CO 0.18 -2.20 0.30 0.94 0.04 0.00 0.00 177.00 176.26 2jnd n GLN 73 N -3.81 0.24 -0.06 4.56 7.27 -1.26 -4.43 117.38 119.89 2jnd n GLN 73 Ca 0.06 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.24 2jnd n GLN 73 Cb 0.57 -1.60 0.00 0.00 2.41 0.00 0.00 30.24 31.62 2jnd n GLN 73 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2jnd n SER 74 N 0.60 0.00 -4.19 1.69 3.41 0.51 -4.93 113.62 110.70 2jnd n SER 74 Ca 0.09 -0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.54 2jnd n SER 74 Cb 0.50 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 2jnd n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jnd s ALA 75 N -1.00 1.12 0.50 7.33 0.00 -1.26 0.18 121.76 128.62 2jnd s ALA 75 Ca 0.00 -1.67 -0.23 0.00 0.00 0.00 0.00 51.96 50.07 2jnd s ALA 75 Cb 0.00 1.37 -0.06 0.00 0.00 0.00 0.00 23.12 24.43 2jnd s ALA 75 CO 0.00 -0.60 1.29 -1.25 0.00 0.00 0.00 175.76 175.20 2jnd s PRO 76 N -4.15 3.47 -1.27 0.00 0.04 -1.26 -3.13 135.00 128.70 2jnd s PRO 76 Ca 0.38 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2jnd s PRO 76 Cb 0.07 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2jnd s PRO 76 CO 0.12 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.69 2jnd n GLY 77 N 0.61 0.62 3.23 0.56 0.00 0.50 -4.85 105.19 105.86 2jnd n GLY 77 Ca 0.08 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.57 2.91 -0.79 4.61 0.00 -1.18 -4.90 121.76 119.83 2jnd s ALA 78 Ca 0.00 -1.66 -0.25 0.00 0.00 0.00 0.00 51.96 50.04 2jnd s ALA 78 Cb 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 2jnd s ALA 78 CO 0.00 -1.17 1.86 -1.17 0.00 0.00 0.00 175.76 175.27 2jnd s LEU 79 N 1.35 3.23 -0.75 0.00 0.20 -1.26 -1.27 118.68 120.18 2jnd s LEU 79 Ca -0.02 -0.32 -0.20 0.00 0.69 0.00 0.00 54.13 54.28 2jnd s LEU 79 Cb -0.19 -2.55 0.11 0.00 -0.43 0.00 0.00 46.19 43.13 2jnd s LEU 79 CO 0.00 -2.49 0.95 -0.69 -0.29 0.00 0.00 176.35 173.83 2jnd s VAL 80 N 9.21 4.64 0.40 1.68 1.01 0.24 -4.88 120.40 132.70 2jnd s VAL 80 Ca 0.66 -1.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 2jnd s VAL 80 Cb -0.09 -4.66 -0.07 0.00 0.00 0.00 0.00 36.38 31.56 2jnd s VAL 80 CO 0.08 -1.38 0.78 -1.83 0.00 0.00 0.00 175.10 172.74 2jnd s GLU 81 N 3.09 3.81 -0.12 2.72 1.03 -1.26 -2.14 118.70 125.83 2jnd s GLU 81 Ca 0.23 0.52 -0.20 0.00 0.03 0.00 0.00 54.97 55.56 2jnd s GLU 81 Cb -0.14 -2.38 0.05 0.00 -0.80 0.00 0.00 34.13 30.86 2jnd s GLU 81 CO 0.01 -0.03 0.50 0.50 -1.33 0.00 0.00 175.26 174.91 2jnd s ARG 82 N -3.76 0.70 -0.03 -4.83 3.52 0.16 -4.94 118.95 109.77 2jnd s ARG 82 Ca 0.52 0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 56.22 2jnd s ARG 82 Cb -0.10 0.33 -0.07 0.00 -1.56 0.00 0.00 34.95 33.55 2jnd s ARG 82 CO 0.30 -0.15 1.81 -1.25 -0.81 0.00 0.00 175.30 175.20 2jnd s PRO 83 N -0.41 4.10 0.03 5.12 0.04 -1.26 0.13 135.00 142.76 2jnd s PRO 83 Ca -0.05 2.34 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 2jnd s PRO 83 Cb -0.03 -4.08 -0.08 0.00 0.04 0.00 0.00 34.50 30.35 2jnd s PRO 83 CO 0.03 -0.97 1.68 0.00 0.04 0.00 0.00 177.00 177.78 2jnd n PRO 85 N 6.15 1.01 0.10 0.00 -0.04 -1.26 -4.49 135.00 136.46 2jnd n PRO 85 Ca 0.16 -0.99 0.01 0.00 -0.04 0.00 0.00 63.50 62.65 2jnd n PRO 85 Cb 0.41 -2.24 0.34 0.00 -0.04 0.00 0.00 33.50 31.97 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 7.26 0.27 -4.18 0.54 4.22 -2.00 -3.35 114.58 117.35 2jnd h GLU 86 Ca 0.25 -0.08 -0.48 0.00 0.08 0.00 0.00 59.36 59.13 2jnd h GLU 86 Cb 0.10 -0.03 0.05 0.00 0.50 0.00 0.00 28.75 29.37 2jnd h GLU 86 CO 1.25 0.45 2.09 0.66 -2.18 0.00 0.00 179.01 181.29 2jnd n TYR 87 N -4.22 1.20 -1.32 0.92 4.02 -1.26 -4.54 117.16 111.96 2jnd n TYR 87 Ca -0.01 -1.49 -0.32 0.00 -0.01 0.00 0.00 57.90 56.07 2jnd n TYR 87 Cb 0.32 -1.41 0.10 0.00 -0.02 0.00 0.00 39.34 38.33 2jnd n TYR 87 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2jnd n PHE 88 N 6.39 3.17 0.00 -0.72 3.72 -1.26 -4.57 117.46 124.19 2jnd n PHE 88 Ca 0.41 -2.73 0.00 0.00 -0.05 0.00 0.00 57.45 55.09 2jnd n PHE 88 Cb 0.27 -1.30 0.00 0.00 -0.94 0.00 0.00 39.48 37.51 2jnd n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2jnd n ASN 89 N -0.97 0.00 0.00 4.37 5.15 -1.26 -5.02 115.26 117.52 2jnd n ASN 89 Ca 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 2jnd n ASN 89 Cb 0.91 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.16 2jnd n ASN 89 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jnd n GLY 90 N 0.00 0.48 1.83 8.20 0.00 -1.26 -5.18 105.19 109.26 2jnd n GLY 90 Ca 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 2jnd n GLY 90 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jnd n ILE 91 N 0.00 0.00 0.00 -0.61 0.13 -1.26 -4.87 119.36 112.75 2jnd n ILE 91 Ca 0.00 -1.27 0.00 0.00 -1.10 0.00 0.00 62.75 60.38 2jnd n ILE 91 Cb 0.00 0.40 0.00 0.00 -0.84 0.00 0.00 39.64 39.20 2jnd n ILE 91 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 2jnd n LYS 92 N -0.54 0.00 -1.11 9.51 0.00 -1.26 -4.70 118.16 120.06 2jnd n LYS 92 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.24 2jnd n LYS 92 Cb 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 35.03 35.33 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 0.00 -0.95 -2.66 5.64 4.01 -1.26 -4.60 117.16 117.33 2jnd n TYR 93 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 2jnd n TYR 93 Cb 0.00 -1.22 0.09 0.00 -0.31 0.00 0.00 39.34 37.90 2jnd n TYR 93 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2jnd n ASN 94 N 0.70 -1.23 -3.84 7.72 2.85 -1.26 -5.16 115.26 115.03 2jnd n ASN 94 Ca -0.02 -1.77 -0.16 0.00 -0.11 0.00 0.00 54.58 52.52 2jnd n ASN 94 Cb 0.08 0.85 -0.16 0.00 1.24 0.00 0.00 39.78 41.79 2jnd n ASN 94 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2jnd s THR 95 N 0.07 0.17 -0.40 -0.44 -1.32 -1.26 -4.96 115.64 107.50 2jnd s THR 95 Ca 0.24 0.04 0.08 0.00 -1.21 0.00 0.00 61.69 60.84 2jnd s THR 95 Cb 0.24 -0.23 0.43 0.00 -1.51 0.00 0.00 72.50 71.43 2jnd s THR 95 CO -0.13 0.12 1.09 1.07 -2.21 0.00 0.00 174.62 174.56 2jnd n THR 96 N 3.82 2.10 -3.87 5.08 5.66 -1.26 -5.06 114.28 120.75 2jnd n THR 96 Ca -0.23 -4.48 -0.24 0.00 -3.05 0.00 0.00 64.05 56.05 2jnd n THR 96 Cb 0.53 -0.84 -0.04 0.00 -1.55 0.00 0.00 70.33 68.44 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 -3.47 2.34 0.17 1.09 3.00 -1.26 -5.14 118.95 115.66 2jnd s ARG 97 Ca 0.44 -1.81 -0.09 0.00 0.00 0.00 0.00 55.73 54.26 2jnd s ARG 97 Cb 0.41 -2.15 -0.01 0.00 0.00 0.00 0.00 34.95 33.21 2jnd s ARG 97 CO -0.12 -0.32 0.29 1.21 0.00 0.00 0.00 175.30 176.36 2jnd s ASN 98 N -4.11 0.03 -0.23 0.23 2.47 -1.26 -4.64 114.94 107.43 2jnd s ASN 98 Ca 0.40 -0.86 -0.18 0.00 0.42 0.00 0.00 52.86 52.65 2jnd s ASN 98 Cb -0.01 0.44 -0.03 0.00 -1.45 0.00 0.00 41.25 40.20 2jnd s ASN 98 CO 0.24 -0.90 0.49 0.00 -3.72 0.00 0.00 177.10 173.21 2jnd s ALA 99 N -3.96 3.56 -0.40 1.71 0.00 0.35 -4.65 121.76 118.37 2jnd s ALA 99 Ca 0.17 -0.52 -0.15 0.00 0.00 0.00 0.00 51.96 51.46 2jnd s ALA 99 Cb 0.03 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.36 2jnd s ALA 99 CO -0.00 -0.54 0.31 0.71 0.00 0.00 0.00 175.76 176.24 2jnd s TYR 100 N 1.86 3.23 -0.32 0.00 1.51 -1.18 0.37 117.35 122.82 2jnd s TYR 100 Ca 0.22 -0.49 -0.00 0.00 -1.01 0.00 0.00 57.07 55.78 2jnd s TYR 100 Cb -0.15 -2.62 0.10 0.00 -0.11 0.00 0.00 41.96 39.18 2jnd s TYR 100 CO 0.09 -0.57 0.10 1.03 -1.11 0.00 0.00 175.55 175.09 2jnd s ARG 101 N 1.76 0.84 0.21 -0.62 1.81 -0.91 -2.88 118.95 119.15 2jnd s ARG 101 Ca 0.06 -1.22 -0.15 0.00 -1.72 0.00 0.00 55.73 52.71 2jnd s ARG 101 Cb -0.18 -2.17 -0.08 0.00 -0.45 0.00 0.00 34.95 32.07 2jnd s ARG 101 CO 0.11 -0.99 0.62 -2.00 -0.68 0.00 0.00 175.30 172.36 2jnd s GLU 102 N 1.47 4.01 -0.15 3.54 2.12 -1.26 -0.59 118.70 127.84 2jnd s GLU 102 Ca 0.10 0.56 -0.21 0.00 0.36 0.00 0.00 54.97 55.78 2jnd s GLU 102 Cb -0.18 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 2jnd s GLU 102 CO -0.22 0.38 0.63 0.00 -0.54 0.00 0.00 175.26 175.51 2jnd s LEU 104 N 1.39 3.36 0.24 0.00 2.34 0.41 0.19 118.68 126.61 2jnd s LEU 104 Ca 0.31 2.05 -0.05 0.00 0.06 0.00 0.00 54.13 56.50 2jnd s LEU 104 Cb -0.16 -4.56 0.41 0.00 -0.56 0.00 0.00 46.19 41.32 2jnd s LEU 104 CO 0.12 -1.76 1.74 -0.08 -1.06 0.00 0.00 176.35 175.32 2jnd h GLU 105 N -0.08 0.47 -0.13 1.48 4.81 -1.89 0.09 114.58 119.33 2jnd h GLU 105 Ca -0.47 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.77 2jnd h GLU 105 Cb 1.25 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2jnd h GLU 105 CO 0.53 0.31 0.25 -0.97 -0.73 0.00 0.00 179.01 178.40 2jnd h ASN 106 N 0.49 0.00 0.00 1.04 -1.24 -1.98 -3.39 115.58 110.50 2jnd h ASN 106 Ca 0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.40 2jnd h ASN 106 Cb 0.53 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.58 2jnd h ASN 106 CO -0.36 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.39 2jnd n GLY 107 N -1.31 0.86 3.21 1.57 0.00 0.01 -3.72 105.19 105.80 2jnd n GLY 107 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2jnd n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jnd s THR 108 N -1.50 0.09 0.50 2.61 2.01 -1.17 -4.50 115.64 113.69 2jnd s THR 108 Ca 0.00 -0.76 -0.21 0.00 0.31 0.00 0.00 61.69 61.03 2jnd s THR 108 Cb 0.00 -0.87 -0.07 0.00 0.01 0.00 0.00 72.50 71.58 2jnd s THR 108 CO 0.00 -0.42 1.14 0.26 -0.69 0.00 0.00 174.62 174.91 2jnd s TRP 109 N -2.38 2.78 0.35 4.92 0.52 -1.26 0.16 118.94 124.03 2jnd s TRP 109 Ca -0.06 1.54 -0.28 0.00 0.02 0.00 0.00 56.10 57.32 2jnd s TRP 109 Cb -0.02 -3.31 -0.11 0.00 -1.15 0.00 0.00 33.47 28.88 2jnd s TRP 109 CO -0.03 -1.50 1.42 0.00 0.02 0.00 0.00 176.95 176.87 2jnd s ALA 110 N -1.68 3.55 0.12 0.98 0.00 -1.15 -4.76 121.76 118.82 2jnd s ALA 110 Ca 0.68 1.44 -0.21 0.00 0.00 0.00 0.00 51.96 53.87 2jnd s ALA 110 Cb -0.25 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 2jnd s ALA 110 CO 0.30 -0.88 1.69 1.03 0.00 0.00 0.00 175.76 177.91 2jnd h SER 111 N 3.29 -0.26 -1.44 0.00 0.87 -1.93 -3.44 113.55 110.64 2jnd h SER 111 Ca -0.50 0.06 -0.47 0.00 -1.23 0.00 0.00 61.79 59.65 2jnd h SER 111 Cb 1.23 0.14 0.05 0.00 -0.44 0.00 0.00 62.40 63.39 2jnd h SER 111 CO 0.66 -0.11 -0.02 -0.13 -0.53 0.00 0.00 176.83 176.69 2jnd s ARG 112 N -6.18 2.09 -0.07 2.24 0.52 -1.26 -5.12 118.95 111.17 2jnd s ARG 112 Ca -0.14 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.70 2jnd s ARG 112 Cb 0.10 -2.52 0.02 0.00 0.52 0.00 0.00 34.95 33.07 2jnd s ARG 112 CO 0.68 -1.06 -0.05 0.08 0.02 0.00 0.00 175.30 174.97 2jnd s VAL 113 N -2.84 0.71 -1.30 3.52 1.01 -1.26 -4.96 120.40 115.27 2jnd s VAL 113 Ca 0.63 -0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.27 2jnd s VAL 113 Cb -0.06 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.61 2jnd s VAL 113 CO 0.41 0.29 1.87 0.59 0.00 0.00 0.00 175.10 178.26 2jnd n ASN 114 N 4.45 4.38 -0.84 3.32 4.13 -1.14 -4.61 115.26 124.94 2jnd n ASN 114 Ca -0.18 -2.87 0.09 0.00 1.68 0.00 0.00 54.58 53.31 2jnd n ASN 114 Cb 0.51 -1.70 0.14 0.00 -1.54 0.00 0.00 39.78 37.19 2jnd n ASN 114 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jnd n TYR 115 N 8.61 0.29 -0.22 3.10 0.18 -1.26 -3.13 117.16 124.72 2jnd n TYR 115 Ca 0.49 -0.19 0.19 0.00 1.88 0.00 0.00 57.90 60.27 2jnd n TYR 115 Cb 0.44 -0.00 0.52 0.00 -0.38 0.00 0.00 39.34 39.92 2jnd n TYR 115 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2jnd h SER 116 N 3.45 0.38 -0.97 9.48 0.87 -1.94 -0.88 113.55 123.94 2jnd h SER 116 Ca 0.00 0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.71 2jnd h SER 116 Cb 0.80 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.65 2jnd h SER 116 CO 0.00 0.16 0.62 -0.74 -0.53 0.00 0.00 176.83 176.33 2jnd h HIS 117 N 0.38 1.08 0.00 2.24 2.76 -1.88 -3.32 115.15 116.41 2jnd h HIS 117 Ca 0.45 0.03 -0.45 0.00 -2.20 0.00 0.00 60.37 58.20 2jnd h HIS 117 Cb 1.15 -0.35 0.04 0.00 1.55 0.00 0.00 27.41 29.81 2jnd h HIS 117 CO -0.00 0.46 2.07 0.00 -1.30 0.00 0.00 177.93 179.16 2jnd s GLU 119 N 4.72 4.04 0.00 0.00 -1.05 -1.25 -5.10 118.70 120.06 2jnd s GLU 119 Ca 0.44 0.48 0.00 0.00 -0.15 0.00 0.00 54.97 55.73 2jnd s GLU 119 Cb 0.11 -3.26 0.00 0.00 -0.44 0.00 0.00 34.13 30.54 2jnd s GLU 119 CO 0.08 0.60 0.00 -0.35 0.95 0.00 0.00 175.26 176.54 2jnd n PRO 120 N 2.08 1.60 0.00 -4.83 -0.05 -1.26 -4.94 135.00 127.60 2jnd n PRO 120 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.33 2jnd n PRO 120 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.97 2jnd n PRO 120 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 175.50 175.89 2jnd n ILE 121 N -0.31 0.00 1.11 0.52 -5.35 -1.26 -5.11 119.36 108.96 2jnd n ILE 121 Ca 0.00 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.57 2jnd n ILE 121 Cb 0.00 -0.16 0.53 0.00 -1.74 0.00 0.00 39.64 38.26 2jnd n ILE 121 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97