#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnd h HIS 46 N -1.00 0.19 -1.08 0.00 2.07 -2.01 -3.47 115.15 109.85 2jnd h HIS 46 Ca -0.14 -0.13 0.00 0.00 -2.85 0.00 0.00 60.37 57.25 2jnd h HIS 46 Cb 0.81 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.78 2jnd h HIS 46 CO -0.07 1.04 0.00 2.89 -3.07 0.00 0.00 177.93 178.72 2jnd n ARG 47 N -4.48 0.00 0.00 5.12 1.85 -1.26 -5.03 116.66 112.85 2jnd n ARG 47 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 2jnd n ARG 47 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 2jnd n ARG 47 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2jnd n THR 48 N -1.03 0.00 -2.19 8.89 5.66 -1.26 -4.99 114.28 119.36 2jnd n THR 48 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 2jnd n THR 48 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 2jnd n THR 48 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2jnd n THR 49 N -0.51 2.36 0.09 1.09 5.66 -1.26 -4.78 114.28 116.93 2jnd n THR 49 Ca 0.00 -4.23 -0.11 0.00 -3.05 0.00 0.00 64.05 56.66 2jnd n THR 49 Cb 0.00 -0.93 -0.07 0.00 -1.55 0.00 0.00 70.33 67.79 2jnd n THR 49 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 2jnd h ILE 50 N 2.56 1.52 0.00 1.09 2.10 -2.01 -3.49 117.51 119.28 2jnd h ILE 50 Ca 0.30 -2.84 0.00 0.00 1.08 0.00 0.00 64.86 63.40 2jnd h ILE 50 Cb 1.39 2.66 0.00 0.00 -1.09 0.00 0.00 36.82 39.78 2jnd h ILE 50 CO 0.72 0.83 0.00 0.61 -1.08 0.00 0.00 178.15 179.23 2jnd n GLY 51 N 1.15 2.43 0.80 8.18 0.00 -1.26 -5.09 105.19 111.39 2jnd n GLY 51 Ca -0.05 -0.75 0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 0.01 -4.65 -4.66 1.61 4.13 -1.26 -5.02 115.26 105.42 2jnd n ASN 52 Ca 0.00 0.65 -0.28 0.00 1.68 0.00 0.00 54.58 56.62 2jnd n ASN 52 Cb 0.00 -2.63 -0.10 0.00 -1.54 0.00 0.00 39.78 35.51 2jnd n ASN 52 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2jnd s PHE 53 N -3.02 2.44 -0.28 3.10 0.08 -1.26 -5.08 117.98 113.96 2jnd s PHE 53 Ca 0.00 -0.70 0.07 0.00 0.12 0.00 0.00 56.93 56.42 2jnd s PHE 53 Cb 0.00 -1.78 0.25 0.00 -0.57 0.00 0.00 43.02 40.92 2jnd s PHE 53 CO 0.00 0.38 1.18 0.45 -0.10 0.00 0.00 175.22 177.13 2jnd n SER 54 N -1.05 -1.21 0.00 1.36 2.88 -1.26 -5.02 113.62 109.33 2jnd n SER 54 Ca -0.06 -1.91 0.00 0.00 -1.33 0.00 0.00 58.87 55.57 2jnd n SER 54 Cb 0.67 0.70 0.00 0.00 -0.75 0.00 0.00 64.21 64.82 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 -0.78 -0.81 1.79 0.46 0.00 -1.26 -3.99 105.19 100.60 2jnd n GLY 55 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.69 1.65 -3.36 1.61 -0.04 -1.26 -4.88 135.00 128.03 2jnd n PRO 56 Ca 0.00 -1.29 -0.15 0.00 -0.04 0.00 0.00 63.50 62.02 2jnd n PRO 56 Cb 0.00 -1.51 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 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 0.46 0.34 0.00 0.54 4.01 -1.26 -5.01 117.16 116.25 2jnd n TYR 57 Ca 0.25 -1.38 0.00 0.00 -0.16 0.00 0.00 57.90 56.61 2jnd n TYR 57 Cb 0.61 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 2jnd n TYR 57 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 2jnd n THR 58 N -0.58 0.00 -4.20 -0.72 5.66 -1.26 -5.03 114.28 108.14 2jnd n THR 58 Ca -0.07 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.80 2jnd n THR 58 Cb 0.34 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.07 2jnd n THR 58 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2jnd n TYR 59 N -1.99 -0.47 -1.86 1.09 4.01 -1.26 -5.06 117.16 111.63 2jnd n TYR 59 Ca 0.00 -1.85 -0.00 0.00 -0.16 0.00 0.00 57.90 55.89 2jnd n TYR 59 Cb 0.00 0.17 -0.00 0.00 -0.31 0.00 0.00 39.34 39.20 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 0.22 2.48 -2.71 0.00 6.94 -1.26 0.24 115.26 121.17 2jnd n ASN 61 Ca -0.00 -2.40 -0.34 0.00 -0.02 0.00 0.00 54.58 51.82 2jnd n ASN 61 Cb 0.01 0.07 -0.08 0.00 -2.36 0.00 0.00 39.78 37.41 2jnd n ASN 61 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2jnd n THR 62 N -1.22 0.00 -4.34 5.53 -2.24 -1.26 -4.41 114.28 106.34 2jnd n THR 62 Ca -0.06 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.44 2jnd n THR 62 Cb 0.44 -0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 68.25 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 4.32 2.81 0.23 4.28 2.01 0.26 -4.96 115.64 124.59 2jnd s THR 63 Ca 0.78 -1.73 0.01 0.00 0.31 0.00 0.00 61.69 61.06 2jnd s THR 63 Cb -0.90 -2.35 0.01 0.00 0.01 0.00 0.00 72.50 69.28 2jnd s THR 63 CO 0.38 -0.05 0.10 -0.11 -0.69 0.00 0.00 174.62 174.26 2jnd n LEU 64 N 0.35 0.00 -3.55 4.42 0.00 -1.26 0.15 117.00 117.11 2jnd n LEU 64 Ca -0.13 -1.31 -0.15 0.00 0.00 0.00 0.00 56.01 54.42 2jnd n LEU 64 Cb 0.55 0.06 -0.05 0.00 0.00 0.00 0.00 43.42 43.97 2jnd n LEU 64 CO 0.31 -0.31 0.32 -1.81 0.00 0.00 0.00 177.39 175.90 2jnd s ASP 65 N -2.33 -0.50 0.29 1.96 1.01 -1.03 -4.72 116.67 111.35 2jnd s ASP 65 Ca 0.08 0.31 0.03 0.00 0.71 0.00 0.00 52.55 53.68 2jnd s ASP 65 Cb -0.01 0.51 0.66 0.00 1.01 0.00 0.00 42.92 45.09 2jnd s ASP 65 CO 0.05 -0.70 1.78 -0.61 0.21 0.00 0.00 175.17 175.90 2jnd h GLN 66 N 2.82 0.72 0.00 8.23 5.75 -2.02 0.31 115.11 130.91 2jnd h GLN 66 Ca -0.30 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 2jnd h GLN 66 Cb 1.20 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.59 2jnd h GLN 66 CO 0.40 0.48 0.00 -0.89 -2.65 0.00 0.00 178.83 176.17 2jnd n ILE 67 N -4.79 0.14 -0.25 2.39 5.41 -1.26 -4.89 119.36 116.11 2jnd n ILE 67 Ca 0.21 0.04 0.00 0.00 1.00 0.00 0.00 62.75 64.00 2jnd n ILE 67 Cb 0.51 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 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 1.24 1.67 3.43 7.39 0.00 0.11 -5.06 105.19 113.97 2jnd n GLY 68 Ca 0.08 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.02 4.74 -1.01 2.61 2.01 -1.24 -4.82 115.64 115.90 2jnd s THR 69 Ca 0.00 -0.58 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 2jnd s THR 69 Cb 0.00 -4.44 0.07 0.00 0.01 0.00 0.00 72.50 68.15 2jnd s THR 69 CO 0.00 -1.03 1.38 0.00 -0.69 0.00 0.00 174.62 174.28 2jnd s TRP 71 N 4.27 2.22 1.07 0.00 0.52 0.40 -4.81 118.94 122.62 2jnd s TRP 71 Ca 0.43 0.63 -0.12 0.00 0.02 0.00 0.00 56.10 57.06 2jnd s TRP 71 Cb -0.01 -4.02 0.23 0.00 -1.15 0.00 0.00 33.47 28.53 2jnd s TRP 71 CO -0.09 -2.60 1.07 -1.25 0.02 0.00 0.00 176.95 174.09 2jnd s PRO 72 N 4.70 -0.21 0.25 4.98 0.04 -1.26 0.92 135.00 144.43 2jnd s PRO 72 Ca 0.68 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 2jnd s PRO 72 Cb -0.22 -1.62 -0.14 0.00 0.04 0.00 0.00 34.50 32.56 2jnd s PRO 72 CO 0.29 -3.30 1.27 0.94 0.04 0.00 0.00 177.00 176.24 2jnd n GLN 73 N -4.64 1.77 0.00 4.56 7.27 -1.26 -4.56 117.38 120.52 2jnd n GLN 73 Ca 0.06 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.75 2jnd n GLN 73 Cb 0.54 -2.19 0.00 0.00 2.41 0.00 0.00 30.24 31.00 2jnd n GLN 73 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2jnd n SER 74 N 1.71 0.00 0.00 1.69 2.88 0.66 -4.93 113.62 115.63 2jnd n SER 74 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2jnd n SER 74 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2jnd n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jnd n ALA 75 N -3.00 0.00 -1.21 -1.46 0.00 -1.04 -4.46 120.51 109.34 2jnd n ALA 75 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2jnd n ALA 75 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.43 0.28 -2.85 0.00 -0.04 -1.26 -3.03 135.00 127.67 2jnd n PRO 76 Ca 0.00 0.15 -0.21 0.00 -0.04 0.00 0.00 63.50 63.40 2jnd n PRO 76 Cb 0.00 -2.08 0.02 0.00 -0.04 0.00 0.00 33.50 31.40 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 1.23 -0.51 2.95 0.55 0.00 0.46 -4.93 105.19 104.95 2jnd n GLY 77 Ca 0.11 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.06 2.45 -1.14 4.61 0.00 -1.17 -4.98 121.76 118.48 2jnd s ALA 78 Ca 0.21 -2.12 -0.22 0.00 0.00 0.00 0.00 51.96 49.83 2jnd s ALA 78 Cb -0.10 -1.79 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 2jnd s ALA 78 CO 0.26 -1.57 1.79 -1.17 0.00 0.00 0.00 175.76 175.07 2jnd s LEU 79 N 1.14 3.39 -0.58 0.00 0.20 -1.26 -2.43 118.68 119.13 2jnd s LEU 79 Ca 0.07 -1.67 -0.27 0.00 0.69 0.00 0.00 54.13 52.94 2jnd s LEU 79 Cb -0.19 -2.58 0.00 0.00 -0.43 0.00 0.00 46.19 43.00 2jnd s LEU 79 CO -0.11 -2.17 1.59 -0.69 -0.29 0.00 0.00 176.35 174.68 2jnd s VAL 80 N 7.73 3.60 0.32 1.68 1.01 -0.45 -4.78 120.40 129.51 2jnd s VAL 80 Ca 0.60 0.46 -0.06 0.00 0.00 0.00 0.00 61.98 62.98 2jnd s VAL 80 Cb -0.00 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 2jnd s VAL 80 CO 0.05 -1.10 0.61 -1.61 0.00 0.00 0.00 175.10 173.05 2jnd s GLU 81 N 6.08 3.67 -0.29 2.72 2.02 -1.26 0.72 118.70 132.36 2jnd s GLU 81 Ca 0.58 0.12 -0.20 0.00 0.02 0.00 0.00 54.97 55.49 2jnd s GLU 81 Cb -0.12 -2.58 0.13 0.00 0.10 0.00 0.00 34.13 31.65 2jnd s GLU 81 CO 0.23 0.15 0.96 0.50 0.02 0.00 0.00 175.26 177.12 2jnd s ARG 82 N -3.63 0.47 0.25 1.61 3.00 0.14 -4.94 118.95 115.85 2jnd s ARG 82 Ca 0.46 0.70 -0.31 0.00 -1.00 0.00 0.00 55.73 55.58 2jnd s ARG 82 Cb -0.11 0.15 -0.12 0.00 0.00 0.00 0.00 34.95 34.88 2jnd s ARG 82 CO 0.30 -0.08 1.65 -1.25 0.00 0.00 0.00 175.30 175.92 2jnd s PRO 83 N 0.92 4.13 0.18 5.12 0.04 -1.26 0.17 135.00 144.30 2jnd s PRO 83 Ca -0.04 2.58 -0.30 0.00 0.04 0.00 0.00 61.00 63.28 2jnd s PRO 83 Cb -0.04 -3.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.36 2jnd s PRO 83 CO -0.12 -0.68 1.35 0.00 0.04 0.00 0.00 177.00 177.59 2jnd n PRO 85 N 2.96 2.06 0.16 0.00 -0.04 -1.26 -4.55 135.00 134.33 2jnd n PRO 85 Ca 0.08 -1.44 0.13 0.00 -0.04 0.00 0.00 63.50 62.23 2jnd n PRO 85 Cb 0.42 -2.44 0.51 0.00 -0.04 0.00 0.00 33.50 31.96 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 6.29 0.00 -2.84 0.54 4.22 -1.94 -3.35 114.58 117.49 2jnd h GLU 86 Ca 0.49 0.00 -0.72 0.00 0.08 0.00 0.00 59.36 59.21 2jnd h GLU 86 Cb 0.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2jnd h GLU 86 CO 1.42 0.00 2.94 0.66 -2.18 0.00 0.00 179.01 181.86 2jnd n TYR 87 N -2.45 2.58 -0.57 0.92 4.01 -1.26 -4.50 117.16 115.89 2jnd n TYR 87 Ca 0.02 -2.93 0.10 0.00 -0.16 0.00 0.00 57.90 54.93 2jnd n TYR 87 Cb 0.28 -2.10 0.36 0.00 -0.31 0.00 0.00 39.34 37.57 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 2.64 1.46 0.00 -0.72 3.01 -1.26 -4.60 117.46 118.00 2jnd n PHE 88 Ca 0.67 -0.59 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2jnd n PHE 88 Cb 0.25 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 2jnd n PHE 88 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 2jnd n ASN 89 N 1.19 0.00 0.00 4.37 6.94 -1.26 -5.04 115.26 121.46 2jnd n ASN 89 Ca 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.82 2jnd n ASN 89 Cb 0.87 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.29 2jnd n ASN 89 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jnd n GLY 90 N -0.39 1.26 3.71 4.83 0.00 -1.26 -5.15 105.19 108.20 2jnd n GLY 90 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.65 4.22 0.24 -0.61 1.09 -1.26 -4.97 121.20 118.26 2jnd s ILE 91 Ca 0.00 -0.81 0.00 0.00 -1.10 0.00 0.00 60.65 58.74 2jnd s ILE 91 Cb 0.00 -2.99 0.00 0.00 -1.06 0.00 0.00 42.46 38.41 2jnd s ILE 91 CO 0.00 0.19 0.00 1.17 -0.10 0.00 0.00 174.94 176.20 2jnd n LYS 92 N 0.76 -2.51 -2.68 2.79 4.81 -1.26 -4.59 118.16 115.47 2jnd n LYS 92 Ca -0.11 1.85 -0.05 0.00 -0.87 0.00 0.00 58.31 59.13 2jnd n LYS 92 Cb 0.52 -2.06 0.04 0.00 0.02 0.00 0.00 35.03 33.55 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 -0.56 1.55 0.00 5.64 4.02 -1.26 -4.89 117.16 121.66 2jnd n TYR 93 Ca 0.00 -2.20 0.00 0.00 -0.01 0.00 0.00 57.90 55.69 2jnd n TYR 93 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.06 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 -0.59 0.00 -4.59 7.72 5.15 -1.26 -5.12 115.26 116.57 2jnd n ASN 94 Ca 0.14 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.70 2jnd n ASN 94 Cb 0.83 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 40.05 2jnd n ASN 94 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2jnd s THR 95 N 0.00 3.14 -0.13 -0.44 -4.23 -1.26 -4.84 115.64 107.88 2jnd s THR 95 Ca 0.00 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.68 2jnd s THR 95 Cb 0.00 -3.21 -0.24 0.00 1.34 0.00 0.00 72.50 70.39 2jnd s THR 95 CO 0.00 -0.15 0.32 1.07 -0.54 0.00 0.00 174.62 175.32 2jnd n THR 96 N 7.68 1.65 -4.07 3.99 5.66 -1.26 -4.96 114.28 122.97 2jnd n THR 96 Ca 0.28 -0.70 -0.31 0.00 -3.05 0.00 0.00 64.05 60.28 2jnd n THR 96 Cb 0.47 -1.36 -0.07 0.00 -1.55 0.00 0.00 70.33 67.82 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 -2.56 2.82 0.35 1.09 0.52 -1.26 -5.13 118.95 114.78 2jnd s ARG 97 Ca -0.18 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.32 2jnd s ARG 97 Cb 0.07 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.85 2jnd s ARG 97 CO 0.76 0.57 0.02 0.27 0.02 0.00 0.00 175.30 176.94 2jnd n ASN 98 N 0.55 2.91 -4.94 0.23 6.94 -1.26 -4.59 115.26 115.10 2jnd n ASN 98 Ca -0.09 -2.49 -0.25 0.00 -0.02 0.00 0.00 54.58 51.72 2jnd n ASN 98 Cb 0.52 0.22 -0.02 0.00 -2.36 0.00 0.00 39.78 38.14 2jnd n ASN 98 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jnd s ALA 99 N -2.59 3.78 -0.12 -2.53 0.00 0.45 -4.73 121.76 116.02 2jnd s ALA 99 Ca 0.01 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 2jnd s ALA 99 Cb -0.00 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 21.13 2jnd s ALA 99 CO 0.01 0.21 -0.09 0.71 0.00 0.00 0.00 175.76 176.60 2jnd s TYR 100 N -2.07 1.63 -0.35 0.00 1.51 0.44 0.24 117.35 118.75 2jnd s TYR 100 Ca 0.39 -0.84 -0.00 0.00 -1.01 0.00 0.00 57.07 55.60 2jnd s TYR 100 Cb -0.10 -1.31 0.12 0.00 -0.11 0.00 0.00 41.96 40.56 2jnd s TYR 100 CO 0.32 -0.55 0.16 0.50 -1.11 0.00 0.00 175.55 174.87 2jnd s ARG 101 N 1.65 0.78 0.57 -0.62 3.52 0.22 0.07 118.95 125.14 2jnd s ARG 101 Ca 0.05 -1.30 -0.10 0.00 -0.13 0.00 0.00 55.73 54.24 2jnd s ARG 101 Cb -0.13 -1.87 -0.04 0.00 -1.56 0.00 0.00 34.95 31.35 2jnd s ARG 101 CO -0.09 -1.08 0.95 -2.00 -0.81 0.00 0.00 175.30 172.28 2jnd s GLU 102 N 1.24 3.62 -0.49 5.12 2.12 -1.26 -1.34 118.70 127.71 2jnd s GLU 102 Ca 0.13 0.62 0.03 0.00 0.36 0.00 0.00 54.97 56.11 2jnd s GLU 102 Cb -0.20 -2.17 0.57 0.00 0.26 0.00 0.00 34.13 32.59 2jnd s GLU 102 CO -0.15 -0.43 1.86 0.00 -0.54 0.00 0.00 175.26 175.99 2jnd n LEU 104 N -1.05 0.00 -0.02 0.00 4.77 -1.08 -0.52 117.00 119.10 2jnd n LEU 104 Ca 0.56 0.65 -0.13 0.00 -0.03 0.00 0.00 56.01 57.06 2jnd n LEU 104 Cb 1.24 -1.90 -0.14 0.00 -2.33 0.00 0.00 43.42 40.28 2jnd n LEU 104 CO 0.60 -1.67 -0.67 1.21 -1.33 0.00 0.00 177.39 175.53 2jnd n GLU 105 N -2.48 0.68 -0.02 3.23 2.13 -1.26 0.18 120.64 123.09 2jnd n GLU 105 Ca 0.00 0.27 -0.09 0.00 0.66 0.00 0.00 57.16 58.00 2jnd n GLU 105 Cb 0.28 -1.74 0.07 0.00 0.27 0.00 0.00 31.44 30.31 2jnd n GLU 105 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2jnd h ASN 106 N 0.02 0.66 0.00 4.31 2.35 -1.97 -3.41 115.58 117.54 2jnd h ASN 106 Ca -0.35 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.09 2jnd h ASN 106 Cb 2.03 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 40.22 2jnd h ASN 106 CO 0.08 1.01 0.00 0.61 -1.65 0.00 0.00 177.43 177.48 2jnd n GLY 107 N 0.08 0.92 3.00 2.83 0.00 -1.20 -4.80 105.19 106.03 2jnd n GLY 107 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.57 -0.02 0.43 2.61 -4.23 0.33 -4.14 115.64 110.05 2jnd s THR 108 Ca 0.00 0.08 -0.22 0.00 -1.18 0.00 0.00 61.69 60.37 2jnd s THR 108 Cb 0.00 -0.25 -0.12 0.00 1.34 0.00 0.00 72.50 73.47 2jnd s THR 108 CO 0.00 0.03 0.60 0.79 -0.54 0.00 0.00 174.62 175.51 2jnd n TRP 109 N 3.55 -0.30 -2.34 3.99 7.02 -1.26 -2.65 117.44 125.45 2jnd n TRP 109 Ca -0.19 0.58 -0.35 0.00 -1.02 0.00 0.00 57.50 56.53 2jnd n TRP 109 Cb 0.56 -2.02 -0.01 0.00 -2.42 0.00 0.00 31.31 27.42 2jnd n TRP 109 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2jnd s ALA 110 N -1.47 2.77 0.10 6.99 0.00 0.78 -4.79 121.76 126.15 2jnd s ALA 110 Ca 0.64 0.78 -0.31 0.00 0.00 0.00 0.00 51.96 53.06 2jnd s ALA 110 Cb -0.58 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.08 2jnd s ALA 110 CO 0.57 -0.63 1.60 1.03 0.00 0.00 0.00 175.76 178.33 2jnd h SER 111 N 1.38 -1.04 -1.71 0.00 0.87 -1.91 -3.44 113.55 107.70 2jnd h SER 111 Ca -0.50 0.10 -0.52 0.00 -1.23 0.00 0.00 61.79 59.64 2jnd h SER 111 Cb 1.25 0.37 -0.06 0.00 -0.44 0.00 0.00 62.40 63.52 2jnd h SER 111 CO 0.58 -0.49 -0.46 0.00 -0.53 0.00 0.00 176.83 175.92 2jnd s ARG 112 N -5.97 2.47 -0.11 2.24 3.03 -1.26 -5.13 118.95 114.22 2jnd s ARG 112 Ca -0.17 -1.54 0.01 0.00 2.03 0.00 0.00 55.73 56.06 2jnd s ARG 112 Cb 0.06 -2.27 -0.02 0.00 -1.03 0.00 0.00 34.95 31.70 2jnd s ARG 112 CO 0.63 -0.03 -0.15 0.08 -1.13 0.00 0.00 175.30 174.71 2jnd s VAL 113 N -2.45 2.95 -1.05 4.99 1.01 -1.26 -4.85 120.40 119.74 2jnd s VAL 113 Ca 0.42 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 2jnd s VAL 113 Cb -0.02 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.16 2jnd s VAL 113 CO 0.25 0.54 1.69 0.20 0.00 0.00 0.00 175.10 177.78 2jnd s ASN 114 N 0.07 6.03 -0.01 3.32 -0.87 0.11 -4.65 114.94 118.95 2jnd s ASN 114 Ca -0.06 -1.42 0.01 0.00 -1.57 0.00 0.00 52.86 49.82 2jnd s ASN 114 Cb -0.15 -2.57 0.02 0.00 -0.02 0.00 0.00 41.25 38.53 2jnd s ASN 114 CO 0.05 -1.96 1.00 0.00 -2.57 0.00 0.00 177.10 173.61 2jnd n TYR 115 N 10.79 0.00 0.15 2.20 0.18 -1.26 -0.42 117.16 128.79 2jnd n TYR 115 Ca 0.39 -0.52 0.19 0.00 1.88 0.00 0.00 57.90 59.84 2jnd n TYR 115 Cb 0.49 -0.06 0.77 0.00 -0.38 0.00 0.00 39.34 40.16 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 0.00 0.00 0.37 9.48 0.87 -1.91 0.28 113.55 122.65 2jnd h SER 116 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jnd h SER 116 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2jnd h SER 116 CO 0.00 0.00 0.00 1.41 -0.53 0.00 0.00 176.83 177.71 2jnd n HIS 117 N -3.58 0.00 -0.59 2.24 8.25 -1.26 -4.34 115.22 115.94 2jnd n HIS 117 Ca 0.05 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.34 2jnd n HIS 117 Cb 0.55 -0.32 -0.02 0.00 1.12 0.00 0.00 29.99 31.32 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 3.54 2.77 0.77 0.00 -1.05 -1.26 -5.09 118.70 118.38 2jnd s GLU 119 Ca 0.32 0.14 -0.06 0.00 -0.15 0.00 0.00 54.97 55.22 2jnd s GLU 119 Cb 0.09 -2.16 0.16 0.00 -0.44 0.00 0.00 34.13 31.79 2jnd s GLU 119 CO -0.02 -0.92 1.06 -0.35 0.95 0.00 0.00 175.26 175.97 2jnd n PRO 120 N -2.81 -0.51 -3.14 -4.83 -0.05 -1.26 -4.99 135.00 117.41 2jnd n PRO 120 Ca 0.06 -2.32 -0.39 0.00 -0.05 0.00 0.00 63.50 60.80 2jnd n PRO 120 Cb 0.58 -0.88 -0.05 0.00 -0.05 0.00 0.00 33.50 33.10 2jnd n PRO 120 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 175.50 173.95 2jnd s ILE 121 N -3.21 4.88 0.00 0.52 2.07 -1.26 -5.04 121.20 119.15 2jnd s ILE 121 Ca 0.66 1.35 0.00 0.00 -1.41 0.00 0.00 60.65 61.24 2jnd s ILE 121 Cb -0.03 -3.98 0.00 0.00 0.13 0.00 0.00 42.46 38.58 2jnd s ILE 121 CO 0.45 0.39 0.00 -0.11 -1.91 0.00 0.00 174.94 173.76