#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 -2.04 0.00 -4.83 0.00 1.44 -1.26 -5.01 115.22 103.52 2jnd n HIS 46 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2jnd n HIS 46 Cb 0.44 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.55 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 -0.79 0.00 -1.52 -1.40 5.12 -1.26 -5.02 116.66 111.78 2jnd n ARG 47 Ca 0.11 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.03 2jnd n ARG 47 Cb 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.35 2jnd n ARG 47 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2jnd n THR 48 N -1.28 -2.18 -2.59 0.55 -1.04 -1.26 -4.79 114.28 101.70 2jnd n THR 48 Ca 0.00 0.02 -0.01 0.00 -2.04 0.00 0.00 64.05 62.02 2jnd n THR 48 Cb 0.00 -4.06 0.01 0.00 -1.82 0.00 0.00 70.33 64.46 2jnd n THR 48 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2jnd n THR 49 N -0.29 -7.28 -0.02 12.58 -1.04 -1.26 -4.99 114.28 111.99 2jnd n THR 49 Ca 0.00 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.05 61.68 2jnd n THR 49 Cb 0.00 -5.83 -0.14 0.00 -1.82 0.00 0.00 70.33 62.54 2jnd n THR 49 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 2jnd h ILE 50 N 0.21 0.91 -0.27 12.58 2.10 -1.95 -3.42 117.51 127.67 2jnd h ILE 50 Ca -0.04 -2.75 -0.48 0.00 1.08 0.00 0.00 64.86 62.66 2jnd h ILE 50 Cb 1.02 2.45 0.00 0.00 -1.09 0.00 0.00 36.82 39.20 2jnd h ILE 50 CO 0.22 0.52 1.63 0.61 -1.08 0.00 0.00 178.15 180.05 2jnd n GLY 51 N 1.54 1.71 3.49 8.18 0.00 -1.26 -4.88 105.19 113.98 2jnd n GLY 51 Ca -0.16 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.67 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 5.79 3.14 0.67 1.61 -0.87 -1.26 -5.16 114.94 118.85 2jnd s ASN 52 Ca 0.63 -1.25 0.03 0.00 -1.57 0.00 0.00 52.86 50.70 2jnd s ASN 52 Cb 0.06 -0.24 0.11 0.00 -0.02 0.00 0.00 41.25 41.16 2jnd s ASN 52 CO 0.13 -0.37 0.92 0.72 -2.57 0.00 0.00 177.10 175.93 2jnd s PHE 53 N -2.90 1.49 -0.21 2.20 -0.12 -1.26 -4.86 117.98 112.33 2jnd s PHE 53 Ca 0.32 -0.45 -0.05 0.00 -0.05 0.00 0.00 56.93 56.70 2jnd s PHE 53 Cb 0.05 -2.70 0.01 0.00 -0.63 0.00 0.00 43.02 39.75 2jnd s PHE 53 CO 0.15 -1.51 0.26 0.45 -0.05 0.00 0.00 175.22 174.51 2jnd n SER 54 N -2.62 -4.46 -2.04 1.98 2.88 -1.26 -5.09 113.62 103.01 2jnd n SER 54 Ca 0.15 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2jnd n SER 54 Cb 0.61 -2.82 0.00 0.00 -0.75 0.00 0.00 64.21 61.25 2jnd n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jnd n GLY 55 N -0.61 1.01 0.00 0.46 0.00 -1.26 -5.10 105.19 99.68 2jnd n GLY 55 Ca 0.04 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2jnd n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jnd n PRO 56 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -4.92 135.00 130.39 2jnd n PRO 56 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 2jnd n PRO 56 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 2jnd n PRO 56 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jnd n TYR 57 N 0.00 0.00 0.04 0.54 4.01 -1.26 -4.94 117.16 115.54 2jnd n TYR 57 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2jnd n TYR 57 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2jnd n TYR 57 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2jnd n THR 58 N -0.76 0.00 -2.27 -0.72 -2.24 -1.26 -5.05 114.28 101.98 2jnd n THR 58 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2jnd n THR 58 Cb 0.30 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2jnd n THR 58 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2jnd n TYR 59 N -3.02 -0.07 -2.33 4.78 4.01 -1.26 -4.98 117.16 114.30 2jnd n TYR 59 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 2jnd n TYR 59 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 2jnd n TYR 59 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jnd n ASN 61 N -0.25 1.13 -4.57 0.00 0.23 -1.26 0.21 115.26 110.75 2jnd n ASN 61 Ca 0.06 -0.56 -0.58 0.00 -0.53 0.00 0.00 54.58 52.97 2jnd n ASN 61 Cb 0.24 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.87 2jnd n ASN 61 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2jnd n THR 62 N -0.25 0.02 -3.79 5.53 -2.24 -1.26 -3.74 114.28 108.56 2jnd n THR 62 Ca 0.00 -0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2jnd n THR 62 Cb 0.00 -0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 67.76 2jnd n THR 62 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2jnd s THR 63 N 0.75 0.08 0.23 4.28 2.01 0.18 -4.87 115.64 118.29 2jnd s THR 63 Ca 0.91 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 62.33 2jnd s THR 63 Cb -1.19 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 2jnd s THR 63 CO 0.57 -0.35 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.88 2jnd s LEU 64 N -1.66 2.37 0.33 4.42 2.96 -1.26 0.24 118.68 126.09 2jnd s LEU 64 Ca -0.10 -1.16 0.03 0.00 -0.22 0.00 0.00 54.13 52.68 2jnd s LEU 64 Cb -0.04 -0.44 -0.05 0.00 0.50 0.00 0.00 46.19 46.16 2jnd s LEU 64 CO 0.01 -0.39 0.09 1.51 -1.32 0.00 0.00 176.35 176.25 2jnd s ASP 65 N -3.33 2.13 0.31 3.68 -4.77 -1.19 -4.92 116.67 108.58 2jnd s ASP 65 Ca 0.26 -1.47 0.04 0.00 -3.30 0.00 0.00 52.55 48.08 2jnd s ASP 65 Cb 0.04 0.17 0.65 0.00 -1.09 0.00 0.00 42.92 42.68 2jnd s ASP 65 CO 0.08 -0.75 1.87 -0.61 0.70 0.00 0.00 175.17 176.47 2jnd h GLN 66 N 2.10 0.87 0.00 2.11 -0.00 -2.02 -0.63 115.11 117.54 2jnd h GLN 66 Ca -0.38 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 2jnd h GLN 66 Cb 1.25 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 28.54 2jnd h GLN 66 CO 0.63 0.57 0.00 0.82 0.00 0.00 0.00 178.83 180.85 2jnd h ILE 67 N 0.89 0.00 0.00 2.39 2.04 -2.04 -3.46 117.51 117.33 2jnd h ILE 67 Ca 0.45 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2jnd h ILE 67 Cb 0.50 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2jnd h ILE 67 CO -0.21 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.55 2jnd n GLY 68 N 0.32 1.27 3.56 5.37 0.00 -0.24 -5.04 105.19 110.43 2jnd n GLY 68 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 3.59 -0.87 2.61 2.01 -1.26 -4.78 115.64 114.94 2jnd s THR 69 Ca 0.00 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.28 2jnd s THR 69 Cb 0.00 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.20 2jnd s THR 69 CO 0.00 -1.25 1.58 0.00 -0.69 0.00 0.00 174.62 174.26 2jnd s TRP 71 N 6.90 2.04 -1.30 0.00 0.52 0.67 -4.87 118.94 122.90 2jnd s TRP 71 Ca 0.52 0.60 -0.09 0.00 0.02 0.00 0.00 56.10 57.16 2jnd s TRP 71 Cb -0.05 -4.10 -0.10 0.00 -1.15 0.00 0.00 33.47 28.06 2jnd s TRP 71 CO 0.02 -2.75 2.86 -0.35 0.02 0.00 0.00 176.95 176.74 2jnd n PRO 72 N 8.05 3.18 -0.81 4.98 -0.04 -1.26 -0.65 135.00 148.45 2jnd n PRO 72 Ca 0.20 -1.91 0.10 0.00 -0.04 0.00 0.00 63.50 61.85 2jnd n PRO 72 Cb 0.46 -2.63 -0.05 0.00 -0.04 0.00 0.00 33.50 31.24 2jnd n PRO 72 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2jnd n GLN 73 N 3.57 -1.83 0.00 0.54 7.27 -1.25 -4.82 117.38 120.86 2jnd n GLN 73 Ca 0.68 1.45 0.00 0.00 0.07 0.00 0.00 57.00 59.20 2jnd n GLN 73 Cb 0.28 -2.16 0.00 0.00 2.41 0.00 0.00 30.24 30.78 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 -3.40 0.02 0.00 1.69 3.41 0.58 -4.88 113.62 111.03 2jnd n SER 74 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2jnd n SER 74 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2jnd n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jnd n ALA 75 N -3.00 0.00 -1.73 7.33 0.00 -1.20 -4.52 120.51 117.39 2jnd n ALA 75 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2jnd n ALA 75 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2jnd n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jnd n PRO 76 N -0.11 2.14 -2.29 0.00 -0.04 -1.26 -2.54 135.00 130.91 2jnd n PRO 76 Ca 0.00 0.76 -0.18 0.00 -0.04 0.00 0.00 63.50 64.04 2jnd n PRO 76 Cb 0.00 -2.51 -0.01 0.00 -0.04 0.00 0.00 33.50 30.94 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 0.68 -0.24 3.34 0.55 0.00 -0.30 -4.93 105.19 104.28 2jnd n GLY 77 Ca 0.05 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.87 2.67 -0.99 4.61 0.00 -1.05 -4.89 121.76 119.23 2jnd s ALA 78 Ca 0.00 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 50.75 2jnd s ALA 78 Cb 0.00 -1.37 0.08 0.00 0.00 0.00 0.00 23.12 21.83 2jnd s ALA 78 CO 0.00 -0.00 1.34 -1.17 0.00 0.00 0.00 175.76 175.93 2jnd s LEU 79 N 0.76 4.03 -0.54 0.00 0.20 -1.26 -1.42 118.68 120.45 2jnd s LEU 79 Ca -0.04 -1.67 -0.23 0.00 0.69 0.00 0.00 54.13 52.87 2jnd s LEU 79 Cb -0.15 -2.51 0.04 0.00 -0.43 0.00 0.00 46.19 43.14 2jnd s LEU 79 CO 0.01 -1.35 0.89 -0.69 -0.29 0.00 0.00 176.35 174.92 2jnd s VAL 80 N 4.18 4.47 0.48 1.68 1.01 0.14 -4.87 120.40 127.50 2jnd s VAL 80 Ca 0.42 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.52 2jnd s VAL 80 Cb -0.02 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 2jnd s VAL 80 CO -0.10 -1.05 0.81 -1.83 0.00 0.00 0.00 175.10 172.93 2jnd s GLU 81 N 3.74 3.58 -0.21 2.72 1.03 -1.26 -2.05 118.70 126.25 2jnd s GLU 81 Ca 0.28 0.29 -0.17 0.00 0.03 0.00 0.00 54.97 55.41 2jnd s GLU 81 Cb -0.13 -2.35 0.06 0.00 -0.80 0.00 0.00 34.13 30.91 2jnd s GLU 81 CO 0.18 -0.21 0.55 0.50 -1.33 0.00 0.00 175.26 174.95 2jnd s ARG 82 N -4.64 0.61 0.29 -4.83 6.06 -0.72 -4.93 118.95 110.79 2jnd s ARG 82 Ca 0.49 0.86 -0.29 0.00 -2.50 0.00 0.00 55.73 54.28 2jnd s ARG 82 Cb -0.10 0.21 -0.10 0.00 0.06 0.00 0.00 34.95 35.02 2jnd s ARG 82 CO 0.44 -0.11 1.35 -1.25 -2.50 0.00 0.00 175.30 173.23 2jnd s PRO 83 N 0.77 4.33 -0.34 5.12 0.04 -1.26 0.15 135.00 143.81 2jnd s PRO 83 Ca -0.04 2.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.94 2jnd s PRO 83 Cb -0.05 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 2jnd s PRO 83 CO -0.06 -0.27 1.70 0.00 0.04 0.00 0.00 177.00 178.41 2jnd n PRO 85 N 8.30 0.83 0.17 0.00 -0.04 -1.26 -4.54 135.00 138.46 2jnd n PRO 85 Ca 0.21 -1.50 0.08 0.00 -0.04 0.00 0.00 63.50 62.24 2jnd n PRO 85 Cb 0.47 -2.80 0.09 0.00 -0.04 0.00 0.00 33.50 31.22 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 8.97 0.00 -2.30 0.54 4.57 -1.89 -3.36 114.58 121.11 2jnd h GLU 86 Ca 0.33 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.35 2jnd h GLU 86 Cb 0.70 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.24 2jnd h GLU 86 CO 1.95 0.22 -0.01 0.66 -1.18 0.00 0.00 179.01 180.65 2jnd n TYR 87 N -3.12 0.09 -0.01 0.92 4.01 -1.26 -4.31 117.16 113.48 2jnd n TYR 87 Ca 0.02 -1.19 0.04 0.00 -0.16 0.00 0.00 57.90 56.61 2jnd n TYR 87 Cb 0.63 -1.34 0.22 0.00 -0.31 0.00 0.00 39.34 38.54 2jnd n TYR 87 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2jnd n PHE 88 N 2.69 1.12 0.00 -0.72 3.72 -1.26 -4.58 117.46 118.43 2jnd n PHE 88 Ca 0.34 -0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2jnd n PHE 88 Cb 0.67 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 0.36 -0.08 0.00 4.37 2.85 -1.26 -5.04 115.26 116.46 2jnd n ASN 89 Ca 0.15 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 2jnd n ASN 89 Cb 0.75 0.20 0.00 0.00 1.24 0.00 0.00 39.78 41.97 2jnd n ASN 89 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jnd n GLY 90 N -1.05 0.00 3.38 8.20 0.00 -1.26 -5.18 105.19 109.27 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 0.00 1.57 0.08 -0.61 -1.09 -1.26 -5.08 121.20 114.81 2jnd s ILE 91 Ca 0.00 -2.14 0.00 0.00 -2.23 0.00 0.00 60.65 56.28 2jnd s ILE 91 Cb 0.00 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.62 2jnd s ILE 91 CO 0.00 -0.43 0.00 1.17 -1.23 0.00 0.00 174.94 174.45 2jnd n LYS 92 N -0.47 -0.79 -2.69 2.79 4.81 -1.26 -4.24 118.16 116.30 2jnd n LYS 92 Ca -0.07 0.58 -0.07 0.00 -0.87 0.00 0.00 58.31 57.89 2jnd n LYS 92 Cb 0.62 -0.65 0.07 0.00 0.02 0.00 0.00 35.03 35.09 2jnd n LYS 92 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2jnd n TYR 93 N -0.74 -0.46 0.17 5.64 4.02 -1.26 -4.95 117.16 119.58 2jnd n TYR 93 Ca 0.00 -2.35 0.00 0.00 -0.01 0.00 0.00 57.90 55.54 2jnd n TYR 93 Cb 0.00 0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 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 -0.38 -2.80 -4.22 7.72 2.85 -1.26 -5.06 115.26 112.11 2jnd n ASN 94 Ca 0.03 0.64 -0.36 0.00 -0.11 0.00 0.00 54.58 54.77 2jnd n ASN 94 Cb 0.83 2.73 -0.06 0.00 1.24 0.00 0.00 39.78 44.53 2jnd n ASN 94 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2jnd n THR 95 N -3.20 -1.51 0.42 -0.44 -2.24 -1.26 -4.83 114.28 101.21 2jnd n THR 95 Ca 0.00 -0.52 0.12 0.00 -2.27 0.00 0.00 64.05 61.39 2jnd n THR 95 Cb 0.00 -1.38 0.28 0.00 -2.10 0.00 0.00 70.33 67.13 2jnd n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jnd h THR 96 N -2.02 0.00 -1.57 4.28 1.03 -1.97 -3.46 112.91 109.21 2jnd h THR 96 Ca -0.67 -0.74 -0.43 0.00 -0.01 0.00 0.00 66.41 64.56 2jnd h THR 96 Cb 1.37 1.72 0.01 0.00 -1.07 0.00 0.00 68.15 70.19 2jnd h THR 96 CO 0.63 0.00 -0.30 -0.13 -0.01 0.00 0.00 175.52 175.71 2jnd s ARG 97 N -3.16 2.88 0.12 0.00 0.52 -1.26 -5.14 118.95 112.91 2jnd s ARG 97 Ca 0.09 -1.20 0.03 0.00 -0.52 0.00 0.00 55.73 54.12 2jnd s ARG 97 Cb 0.09 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 2jnd s ARG 97 CO 0.64 -0.15 -0.08 0.54 0.02 0.00 0.00 175.30 176.27 2jnd s ASN 98 N -4.27 1.43 -0.60 0.23 4.22 -1.26 -4.56 114.94 110.12 2jnd s ASN 98 Ca 0.51 -1.02 -0.24 0.00 -2.14 0.00 0.00 52.86 49.97 2jnd s ASN 98 Cb -0.09 0.05 0.05 0.00 1.28 0.00 0.00 41.25 42.54 2jnd s ASN 98 CO 0.32 -0.41 1.01 0.00 -2.04 0.00 0.00 177.10 175.98 2jnd s ALA 99 N -3.50 3.09 -0.21 3.54 0.00 0.41 -4.72 121.76 120.37 2jnd s ALA 99 Ca 0.14 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 2jnd s ALA 99 Cb 0.04 -3.86 -0.01 0.00 0.00 0.00 0.00 23.12 19.29 2jnd s ALA 99 CO -0.02 -2.62 1.33 0.71 0.00 0.00 0.00 175.76 175.16 2jnd s TYR 100 N 4.28 2.68 -0.33 0.00 1.51 -1.26 -1.75 117.35 122.47 2jnd s TYR 100 Ca 0.30 0.87 -0.01 0.00 -1.01 0.00 0.00 57.07 57.22 2jnd s TYR 100 Cb -0.13 -3.70 0.11 0.00 -0.11 0.00 0.00 41.96 38.14 2jnd s TYR 100 CO 0.17 -1.95 0.15 1.03 -1.11 0.00 0.00 175.55 173.84 2jnd s ARG 101 N 3.85 0.60 0.15 -0.62 0.52 -0.87 -2.23 118.95 120.35 2jnd s ARG 101 Ca 0.58 -1.08 -0.14 0.00 -0.52 0.00 0.00 55.73 54.56 2jnd s ARG 101 Cb -0.21 -1.64 -0.07 0.00 0.52 0.00 0.00 34.95 33.55 2jnd s ARG 101 CO 0.19 -1.06 0.55 -1.21 0.02 0.00 0.00 175.30 173.79 2jnd s GLU 102 N 1.49 3.98 0.28 3.54 2.02 -1.26 -0.68 118.70 128.07 2jnd s GLU 102 Ca 0.12 0.49 -0.15 0.00 0.02 0.00 0.00 54.97 55.45 2jnd s GLU 102 Cb -0.19 -2.93 -0.09 0.00 0.10 0.00 0.00 34.13 31.03 2jnd s GLU 102 CO -0.20 0.48 0.70 0.00 0.02 0.00 0.00 175.26 176.25 2jnd n LEU 104 N -0.10 -0.10 -0.07 0.00 4.77 0.55 -1.15 117.00 120.90 2jnd n LEU 104 Ca 0.02 0.22 -0.13 0.00 -0.03 0.00 0.00 56.01 56.09 2jnd n LEU 104 Cb 0.53 -1.21 -0.06 0.00 -2.33 0.00 0.00 43.42 40.35 2jnd n LEU 104 CO 0.42 -3.26 0.56 -0.08 -1.33 0.00 0.00 177.39 173.71 2jnd h GLU 105 N -1.80 0.55 -0.68 3.23 4.81 -1.92 -1.95 114.58 116.82 2jnd h GLU 105 Ca -0.47 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 58.42 2jnd h GLU 105 Cb 1.30 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 2jnd h GLU 105 CO 0.37 0.90 0.25 -0.91 -0.73 0.00 0.00 179.01 178.89 2jnd h ASN 106 N 0.24 0.96 0.00 1.04 2.35 -1.96 -3.42 115.58 114.78 2jnd h ASN 106 Ca 0.03 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2jnd h ASN 106 Cb 0.81 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2jnd h ASN 106 CO 0.06 0.88 0.00 0.61 -1.65 0.00 0.00 177.43 177.33 2jnd n GLY 107 N -0.81 -0.11 3.31 2.83 0.00 -1.22 -4.89 105.19 104.30 2jnd n GLY 107 Ca 0.05 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 0.06 0.47 2.61 2.01 -1.26 -4.22 115.64 115.31 2jnd s THR 108 Ca 0.00 -0.51 -0.22 0.00 0.31 0.00 0.00 61.69 61.27 2jnd s THR 108 Cb 0.00 -0.99 -0.08 0.00 0.01 0.00 0.00 72.50 71.44 2jnd s THR 108 CO 0.00 -0.28 1.10 0.26 -0.69 0.00 0.00 174.62 175.01 2jnd s TRP 109 N -2.72 2.95 0.13 4.92 0.52 -1.26 0.21 118.94 123.69 2jnd s TRP 109 Ca -0.04 1.57 -0.15 0.00 0.02 0.00 0.00 56.10 57.51 2jnd s TRP 109 Cb -0.00 -3.22 -0.07 0.00 -1.15 0.00 0.00 33.47 29.03 2jnd s TRP 109 CO -0.04 -1.14 0.54 0.00 0.02 0.00 0.00 176.95 176.33 2jnd s ALA 110 N -1.74 3.59 -0.32 0.98 0.00 -1.26 -4.68 121.76 118.34 2jnd s ALA 110 Ca 0.65 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 2jnd s ALA 110 Cb -0.23 -2.52 -0.15 0.00 0.00 0.00 0.00 23.12 20.22 2jnd s ALA 110 CO 0.27 0.45 3.30 0.43 0.00 0.00 0.00 175.76 180.22 2jnd n SER 111 N 0.99 5.99 -3.56 0.00 7.64 -1.26 -4.80 113.62 118.62 2jnd n SER 111 Ca -0.07 -2.70 -0.11 0.00 1.01 0.00 0.00 58.87 57.01 2jnd n SER 111 Cb 0.52 -1.38 -0.05 0.00 -1.01 0.00 0.00 64.21 62.29 2jnd n SER 111 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jnd s ARG 112 N 0.34 0.68 -0.00 1.43 0.52 -1.26 -5.18 118.95 115.48 2jnd s ARG 112 Ca 0.65 0.08 -0.01 0.00 -0.52 0.00 0.00 55.73 55.92 2jnd s ARG 112 Cb 0.32 0.32 -0.00 0.00 0.52 0.00 0.00 34.95 36.11 2jnd s ARG 112 CO -0.07 -0.23 0.03 0.08 0.02 0.00 0.00 175.30 175.13 2jnd s VAL 113 N -1.47 0.03 -1.29 3.52 1.01 -1.26 -4.84 120.40 116.11 2jnd s VAL 113 Ca -0.02 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 2jnd s VAL 113 Cb -0.00 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.27 2jnd s VAL 113 CO 0.01 -0.15 1.83 0.59 0.00 0.00 0.00 175.10 177.38 2jnd n ASN 114 N 2.57 4.47 0.16 3.32 3.02 -0.95 -4.75 115.26 123.11 2jnd n ASN 114 Ca -0.16 -2.87 0.00 0.00 -0.03 0.00 0.00 54.58 51.53 2jnd n ASN 114 Cb 0.58 -1.72 0.26 0.00 -0.61 0.00 0.00 39.78 38.29 2jnd n ASN 114 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2jnd h TYR 115 N 7.72 0.01 -1.06 3.10 0.05 -1.94 -3.20 116.97 121.64 2jnd h TYR 115 Ca 0.43 -0.00 0.31 0.00 0.05 0.00 0.00 58.73 59.51 2jnd h TYR 115 Cb 0.85 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.54 2jnd h TYR 115 CO 1.39 0.50 0.99 0.77 -1.05 0.00 0.00 178.16 180.77 2jnd h SER 116 N 0.01 0.00 1.37 3.88 0.02 -1.97 1.51 113.55 118.36 2jnd h SER 116 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jnd h SER 116 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2jnd h SER 116 CO 0.06 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.16 2jnd n HIS 117 N -3.64 0.78 -2.99 3.45 8.25 -1.21 -4.51 115.22 115.34 2jnd n HIS 117 Ca 0.23 0.23 -0.44 0.00 -0.26 0.00 0.00 57.72 57.48 2jnd n HIS 117 Cb 1.33 -0.87 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 2jnd n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jnd s GLU 119 N 1.95 2.60 0.00 0.00 2.02 -1.26 -5.05 118.70 118.95 2jnd s GLU 119 Ca 0.34 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 54.07 2jnd s GLU 119 Cb -0.05 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.82 2jnd s GLU 119 CO -0.07 0.35 0.00 -0.35 0.02 0.00 0.00 175.26 175.21 2jnd n PRO 120 N -1.06 0.00 0.00 0.39 -0.04 -1.26 -4.94 135.00 128.09 2jnd n PRO 120 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2jnd n PRO 120 Cb 0.59 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 2jnd n PRO 120 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2jnd n ILE 121 N 0.00 0.00 1.28 0.52 3.06 -1.26 -4.60 119.36 118.36 2jnd n ILE 121 Ca 0.00 0.00 0.13 0.00 -2.50 0.00 0.00 62.75 60.38 2jnd n ILE 121 Cb 0.00 0.00 0.34 0.00 0.54 0.00 0.00 39.64 40.52 2jnd n ILE 121 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23