#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ju5 h PRO 63 N 0.00 0.76 0.00 -0.24 0.11 -2.04 -3.38 132.00 127.21 1ju5 h PRO 63 Ca 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1ju5 h PRO 63 Cb 0.00 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.91 1ju5 h PRO 63 CO 0.00 0.50 -0.03 0.27 -0.21 0.00 0.00 178.00 178.54 1ju5 n ASN 64 N -4.72 -0.28 -4.03 -2.05 6.94 -1.26 -4.89 115.26 104.96 1ju5 n ASN 64 Ca 0.22 -1.22 -0.32 0.00 -0.02 0.00 0.00 54.58 53.25 1ju5 n ASN 64 Cb 0.54 0.16 -0.15 0.00 -2.36 0.00 0.00 39.78 37.97 1ju5 n ASN 64 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1ju5 s LEU 65 N -0.73 3.46 0.35 -4.53 2.96 -1.26 -3.96 118.68 114.97 1ju5 s LEU 65 Ca 0.02 -1.48 0.04 0.00 -0.22 0.00 0.00 54.13 52.49 1ju5 s LEU 65 Cb 0.07 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 1ju5 s LEU 65 CO -0.02 -0.23 0.16 -0.36 -1.32 0.00 0.00 176.35 174.58 1ju5 s PHE 66 N 1.13 1.72 -0.14 5.38 0.40 0.28 -2.79 117.98 123.95 1ju5 s PHE 66 Ca -0.05 -1.37 -0.19 0.00 -0.60 0.00 0.00 56.93 54.72 1ju5 s PHE 66 Cb -0.20 -0.98 0.05 0.00 0.51 0.00 0.00 43.02 42.41 1ju5 s PHE 66 CO -0.06 -0.47 0.50 0.54 0.70 0.00 0.00 175.22 176.43 1ju5 s VAL 67 N -3.40 0.01 0.07 -0.44 0.11 0.27 0.93 120.40 117.96 1ju5 s VAL 67 Ca 0.31 -0.08 -0.23 0.00 -2.93 0.00 0.00 61.98 59.05 1ju5 s VAL 67 Cb 0.04 -0.74 -0.06 0.00 -1.53 0.00 0.00 36.38 34.08 1ju5 s VAL 67 CO 0.18 -0.04 0.70 0.00 -3.33 0.00 0.00 175.10 172.61 1ju5 s ALA 68 N -0.21 3.45 0.02 1.54 0.00 0.18 0.58 121.76 127.32 1ju5 s ALA 68 Ca -0.04 0.21 0.10 0.00 0.00 0.00 0.00 51.96 52.24 1ju5 s ALA 68 Cb -0.03 -2.88 -0.21 0.00 0.00 0.00 0.00 23.12 20.00 1ju5 s ALA 68 CO 0.03 0.20 0.95 -0.07 0.00 0.00 0.00 175.76 176.87 1ju5 h LEU 69 N 5.09 0.00 -9.34 0.00 4.07 -0.78 0.76 115.31 115.11 1ju5 h LEU 69 Ca -0.46 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 56.99 1ju5 h LEU 69 Cb 1.21 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.81 1ju5 h LEU 69 CO 0.68 0.98 -0.56 -0.31 -1.08 0.00 0.00 178.44 178.15 1ju5 s TYR 70 N -2.66 1.85 -0.45 1.13 1.51 -1.24 -4.17 117.35 113.32 1ju5 s TYR 70 Ca -0.02 -1.12 -0.22 0.00 -1.01 0.00 0.00 57.07 54.70 1ju5 s TYR 70 Cb 0.09 -1.22 0.03 0.00 -0.11 0.00 0.00 41.96 40.74 1ju5 s TYR 70 CO 0.82 -0.14 0.75 0.16 -1.11 0.00 0.00 175.55 176.03 1ju5 s ASP 71 N -3.55 6.38 -0.02 2.29 -4.77 -1.26 -3.19 116.67 112.56 1ju5 s ASP 71 Ca 0.29 -0.19 -0.10 0.00 -3.30 0.00 0.00 52.55 49.25 1ju5 s ASP 71 Cb 0.06 -2.37 -0.05 0.00 -1.09 0.00 0.00 42.92 39.47 1ju5 s ASP 71 CO 0.14 -0.89 0.31 0.12 0.70 0.00 0.00 175.17 175.55 1ju5 s PHE 72 N 3.18 3.64 -0.07 2.11 2.19 0.31 -4.87 117.98 124.47 1ju5 s PHE 72 Ca 0.28 0.75 0.05 0.00 0.33 0.00 0.00 56.93 58.34 1ju5 s PHE 72 Cb -0.13 -2.12 -0.01 0.00 -1.31 0.00 0.00 43.02 39.46 1ju5 s PHE 72 CO 0.21 0.64 -0.22 0.08 1.83 0.00 0.00 175.22 177.77 1ju5 s VAL 73 N -1.16 2.29 0.10 3.12 1.01 -1.26 0.76 120.40 125.25 1ju5 s VAL 73 Ca 0.24 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.34 1ju5 s VAL 73 Cb -0.14 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1ju5 s VAL 73 CO 0.12 0.57 -0.24 0.00 0.00 0.00 0.00 175.10 175.54 1ju5 s ALA 74 N -0.11 2.42 -0.38 5.51 0.00 -1.26 -4.77 121.76 123.17 1ju5 s ALA 74 Ca -0.05 -1.37 0.06 0.00 0.00 0.00 0.00 51.96 50.61 1ju5 s ALA 74 Cb -0.14 -0.49 0.65 0.00 0.00 0.00 0.00 23.12 23.14 1ju5 s ALA 74 CO 0.04 0.55 1.78 0.45 0.00 0.00 0.00 175.76 178.58 1ju5 n SER 75 N 1.20 4.19 0.00 0.00 2.88 -1.26 -4.49 113.62 116.14 1ju5 n SER 75 Ca -0.17 -3.28 0.00 0.00 -1.33 0.00 0.00 58.87 54.09 1ju5 n SER 75 Cb 0.53 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1ju5 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ju5 n GLY 76 N -0.52 3.06 0.00 0.46 0.00 -1.26 -5.03 105.19 101.90 1ju5 n GLY 76 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1ju5 n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ju5 n ASP 77 N 0.19 -0.31 -0.04 1.61 -0.08 -1.26 -4.69 116.55 111.97 1ju5 n ASP 77 Ca 0.00 0.00 0.24 0.00 -1.51 0.00 0.00 54.79 53.52 1ju5 n ASP 77 Cb 0.00 0.00 0.70 0.00 2.34 0.00 0.00 41.12 44.16 1ju5 n ASP 77 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1ju5 h ASN 78 N -0.34 0.00 -4.32 1.67 -0.26 -1.96 -3.41 115.58 106.96 1ju5 h ASN 78 Ca 0.00 0.00 -0.49 0.00 -0.56 0.00 0.00 56.30 55.25 1ju5 h ASN 78 Cb 0.00 0.00 0.10 0.00 -1.06 0.00 0.00 38.32 37.36 1ju5 h ASN 78 CO 0.00 0.00 0.35 0.42 -1.06 0.00 0.00 177.43 177.14 1ju5 s THR 79 N -4.69 3.39 -0.08 2.81 -4.23 -1.26 -1.33 115.64 110.24 1ju5 s THR 79 Ca -0.04 0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 60.90 1ju5 s THR 79 Cb 0.17 -3.22 0.03 0.00 1.34 0.00 0.00 72.50 70.82 1ju5 s THR 79 CO 0.60 -0.59 0.00 -0.22 -0.54 0.00 0.00 174.62 173.87 1ju5 s LEU 80 N -5.67 0.65 -0.19 4.79 2.96 -1.25 -4.43 118.68 115.53 1ju5 s LEU 80 Ca 0.60 -0.14 -0.33 0.00 -0.22 0.00 0.00 54.13 54.04 1ju5 s LEU 80 Cb -0.14 -0.47 -0.10 0.00 0.50 0.00 0.00 46.19 45.98 1ju5 s LEU 80 CO 0.54 -0.20 2.05 -1.54 -1.32 0.00 0.00 176.35 175.88 1ju5 n SER 81 N 5.13 3.03 -4.10 3.68 3.41 -1.26 -4.48 113.62 119.03 1ju5 n SER 81 Ca -0.07 0.63 -0.15 0.00 -0.26 0.00 0.00 58.87 59.02 1ju5 n SER 81 Cb 0.50 -1.38 -0.11 0.00 -0.26 0.00 0.00 64.21 62.95 1ju5 n SER 81 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1ju5 s ILE 82 N 6.00 0.73 0.79 -1.33 -4.36 0.23 -4.87 121.20 118.39 1ju5 s ILE 82 Ca 1.00 -1.19 -0.04 0.00 -0.26 0.00 0.00 60.65 60.15 1ju5 s ILE 82 Cb -0.66 -0.81 0.16 0.00 1.25 0.00 0.00 42.46 42.41 1ju5 s ILE 82 CO 0.47 -0.36 1.07 0.41 0.24 0.00 0.00 174.94 176.78 1ju5 n THR 83 N 1.33 0.00 -3.43 8.37 -1.04 -1.26 0.12 114.28 118.36 1ju5 n THR 83 Ca -0.22 -1.40 -0.32 0.00 -2.04 0.00 0.00 64.05 60.07 1ju5 n THR 83 Cb 0.55 -1.06 -0.05 0.00 -1.82 0.00 0.00 70.33 67.94 1ju5 n THR 83 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1ju5 s LYS 84 N -5.29 3.79 -0.21 -2.82 -2.85 -1.19 -4.05 119.74 107.12 1ju5 s LYS 84 Ca 0.68 0.26 0.00 0.00 -1.00 0.00 0.00 55.97 55.91 1ju5 s LYS 84 Cb -0.03 -2.66 0.00 0.00 -2.06 0.00 0.00 37.83 33.08 1ju5 s LYS 84 CO 0.46 0.33 0.00 0.41 0.10 0.00 0.00 175.35 176.65 1ju5 n GLY 85 N -0.11 0.46 3.85 0.59 0.00 0.26 -4.90 105.19 105.35 1ju5 n GLY 85 Ca 0.00 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1ju5 n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ju5 s GLU 86 N -1.28 3.93 -0.19 1.61 2.56 -1.22 -4.82 118.70 119.30 1ju5 s GLU 86 Ca 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 54.97 55.23 1ju5 s GLU 86 Cb 0.00 -2.94 -0.04 0.00 2.00 0.00 0.00 34.13 33.15 1ju5 s GLU 86 CO 0.00 0.49 0.41 -1.59 -0.56 0.00 0.00 175.26 174.01 1ju5 s LYS 87 N -1.95 4.19 0.13 4.30 -2.85 -1.26 0.50 119.74 122.79 1ju5 s LYS 87 Ca 0.37 0.24 0.06 0.00 -1.00 0.00 0.00 55.97 55.64 1ju5 s LYS 87 Cb -0.15 -3.53 -0.04 0.00 -2.06 0.00 0.00 37.83 32.06 1ju5 s LYS 87 CO 0.19 -0.02 -0.15 -0.51 0.10 0.00 0.00 175.35 174.95 1ju5 s LEU 88 N 1.26 2.41 -0.54 2.77 1.43 0.27 -4.91 118.68 121.36 1ju5 s LEU 88 Ca 0.20 -0.82 -0.18 0.00 -1.03 0.00 0.00 54.13 52.31 1ju5 s LEU 88 Cb -0.15 -0.61 0.10 0.00 0.03 0.00 0.00 46.19 45.56 1ju5 s LEU 88 CO 0.08 -0.12 0.59 -0.13 0.23 0.00 0.00 176.35 177.00 1ju5 s ARG 89 N -2.68 3.03 -0.52 1.70 0.52 0.20 0.99 118.95 122.20 1ju5 s ARG 89 Ca 0.10 -1.34 -0.26 0.00 -0.52 0.00 0.00 55.73 53.71 1ju5 s ARG 89 Cb -0.05 -4.22 0.03 0.00 0.52 0.00 0.00 34.95 31.23 1ju5 s ARG 89 CO 0.04 -1.34 0.99 0.08 0.02 0.00 0.00 175.30 175.09 1ju5 s VAL 90 N 2.23 4.34 -0.14 3.52 1.01 -1.25 0.14 120.40 130.25 1ju5 s VAL 90 Ca 0.09 0.60 0.17 0.00 0.00 0.00 0.00 61.98 62.84 1ju5 s VAL 90 Cb -0.25 -4.54 0.30 0.00 0.00 0.00 0.00 36.38 31.89 1ju5 s VAL 90 CO 0.07 -1.05 1.17 0.00 0.00 0.00 0.00 175.10 175.29 1ju5 n LEU 91 N 7.55 2.52 -3.68 3.92 -0.00 -0.68 -4.61 117.00 122.02 1ju5 n LEU 91 Ca 0.05 -2.98 -0.14 0.00 -0.00 0.00 0.00 56.01 52.94 1ju5 n LEU 91 Cb 0.48 -0.41 -0.09 0.00 -0.00 0.00 0.00 43.42 43.41 1ju5 n LEU 91 CO 0.66 0.69 0.23 -0.83 -0.00 0.00 0.00 177.39 178.14 1ju5 s GLY 92 N -2.58 -0.41 0.33 1.47 0.00 -1.13 -5.00 107.32 100.01 1ju5 s GLY 92 Ca 0.31 1.46 0.03 0.00 0.00 0.00 0.00 44.72 46.52 1ju5 s GLY 92 CO 0.04 1.24 0.11 -0.19 0.00 0.00 0.00 173.10 174.29 1ju5 s TYR 93 N 0.10 1.76 0.35 1.90 1.51 -1.26 0.58 117.35 122.29 1ju5 s TYR 93 Ca -0.01 -1.17 0.05 0.00 -1.01 0.00 0.00 57.07 54.93 1ju5 s TYR 93 Cb -0.04 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.71 1ju5 s TYR 93 CO 0.02 -0.25 0.50 1.21 -1.11 0.00 0.00 175.55 175.92 1ju5 s ASN 94 N -3.47 5.96 0.47 2.29 3.84 -1.18 -4.89 114.94 117.97 1ju5 s ASN 94 Ca 0.33 -0.09 0.24 0.00 0.21 0.00 0.00 52.86 53.55 1ju5 s ASN 94 Cb 0.06 -1.31 1.15 0.00 -0.55 0.00 0.00 41.25 40.60 1ju5 s ASN 94 CO 0.15 -0.47 1.95 -0.74 -2.79 0.00 0.00 177.10 175.20 1ju5 h HIS 95 N 0.81 0.00 0.00 0.43 -0.00 -2.02 -2.85 115.15 111.52 1ju5 h HIS 95 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 1ju5 h HIS 95 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.66 1ju5 h HIS 95 CO 0.43 0.20 -1.36 0.09 -0.00 0.00 0.00 177.93 177.29 1ju5 n ASN 96 N -3.61 0.84 0.00 3.26 4.13 -1.26 -5.00 115.26 113.63 1ju5 n ASN 96 Ca -0.01 -0.43 0.00 0.00 1.68 0.00 0.00 54.58 55.82 1ju5 n ASN 96 Cb 0.33 1.44 0.00 0.00 -1.54 0.00 0.00 39.78 40.01 1ju5 n ASN 96 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ju5 n GLY 97 N 1.45 0.62 0.13 7.41 0.00 -1.08 -4.97 105.19 108.75 1ju5 n GLY 97 Ca -0.00 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 1ju5 n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ju5 n GLU 98 N -1.58 0.70 -3.90 1.61 1.02 -1.26 -4.74 120.64 112.49 1ju5 n GLU 98 Ca 0.00 0.22 -0.21 0.00 -0.02 0.00 0.00 57.16 57.15 1ju5 n GLU 98 Cb 0.27 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 1ju5 n GLU 98 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1ju5 s TRP 99 N -2.54 3.38 -0.11 -0.32 0.52 -1.26 0.82 118.94 119.42 1ju5 s TRP 99 Ca -0.29 -0.06 -0.04 0.00 0.02 0.00 0.00 56.10 55.74 1ju5 s TRP 99 Cb 0.08 -1.63 0.05 0.00 -1.15 0.00 0.00 33.47 30.82 1ju5 s TRP 99 CO 0.68 0.37 0.13 0.00 0.02 0.00 0.00 176.95 178.16 1ju5 s GLU 101 N 2.24 3.64 0.14 0.00 2.12 0.20 0.59 118.70 127.63 1ju5 s GLU 101 Ca 0.04 0.44 0.03 0.00 0.36 0.00 0.00 54.97 55.84 1ju5 s GLU 101 Cb -0.14 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.27 1ju5 s GLU 101 CO -0.07 -1.49 0.25 0.00 -0.54 0.00 0.00 175.26 173.41 1ju5 s ALA 102 N 4.63 3.91 -0.03 6.30 0.00 0.22 -1.68 121.76 135.11 1ju5 s ALA 102 Ca 0.46 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 1ju5 s ALA 102 Cb -0.07 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 21.34 1ju5 s ALA 102 CO 0.30 0.56 0.08 -1.14 0.00 0.00 0.00 175.76 175.55 1ju5 s GLN 103 N -3.15 0.08 0.00 0.00 -0.44 0.38 0.11 119.66 116.63 1ju5 s GLN 103 Ca 0.34 0.15 0.00 0.00 -2.50 0.00 0.00 55.36 53.34 1ju5 s GLN 103 Cb -0.11 -0.01 0.00 0.00 -1.64 0.00 0.00 33.01 31.25 1ju5 s GLN 103 CO 0.28 -0.04 0.00 0.25 0.50 0.00 0.00 175.29 176.27 1ju5 n THR 104 N 3.28 0.00 0.28 -0.34 -2.24 0.19 0.62 114.28 116.08 1ju5 n THR 104 Ca -0.15 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.78 1ju5 n THR 104 Cb 0.58 0.00 0.89 0.00 -2.10 0.00 0.00 70.33 69.70 1ju5 n THR 104 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1ju5 h LYS 105 N 0.00 0.00 0.00 -0.78 2.10 -2.02 -0.63 116.57 115.24 1ju5 h LYS 105 Ca 0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.45 1ju5 h LYS 105 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 1ju5 h LYS 105 CO 0.00 0.00 -0.98 -0.97 -2.00 0.00 0.00 179.45 175.50 1ju5 h ASN 106 N 0.00 0.00 0.00 7.07 -1.24 -2.02 -3.50 115.58 115.89 1ju5 h ASN 106 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1ju5 h ASN 106 Cb 0.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.11 1ju5 h ASN 106 CO -0.00 0.90 0.00 0.61 -1.29 0.00 0.00 177.43 177.65 1ju5 n GLY 107 N 1.35 0.75 3.96 1.57 0.00 -0.25 -5.12 105.19 107.46 1ju5 n GLY 107 Ca -0.01 -1.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 1ju5 n GLY 107 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ju5 s GLN 108 N -2.00 3.12 -0.10 1.61 -0.21 -1.26 0.56 119.66 121.38 1ju5 s GLN 108 Ca 0.00 -0.63 -0.30 0.00 0.02 0.00 0.00 55.36 54.45 1ju5 s GLN 108 Cb 0.00 -2.65 0.12 0.00 1.00 0.00 0.00 33.01 31.48 1ju5 s GLN 108 CO 0.00 -0.12 0.98 0.20 -2.12 0.00 0.00 175.29 174.23 1ju5 s GLY 109 N -4.18 -0.36 -0.42 3.09 0.00 0.29 -4.84 107.32 100.90 1ju5 s GLY 109 Ca 0.46 1.52 -0.16 0.00 0.00 0.00 0.00 44.72 46.54 1ju5 s GLY 109 CO 0.36 0.65 0.37 -0.98 0.00 0.00 0.00 173.10 173.49 1ju5 s TRP 110 N -2.19 3.21 -0.03 1.90 0.52 -0.45 0.71 118.94 122.62 1ju5 s TRP 110 Ca 0.03 -0.54 0.04 0.00 0.02 0.00 0.00 56.10 55.66 1ju5 s TRP 110 Cb -0.01 -2.77 -0.03 0.00 -1.15 0.00 0.00 33.47 29.52 1ju5 s TRP 110 CO -0.04 -0.66 -0.14 0.14 0.02 0.00 0.00 176.95 176.27 1ju5 s VAL 111 N 1.87 3.06 1.01 4.03 -7.23 0.20 -3.74 120.40 119.60 1ju5 s VAL 111 Ca 0.08 -0.81 -0.16 0.00 -1.81 0.00 0.00 61.98 59.28 1ju5 s VAL 111 Cb -0.19 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.55 1ju5 s VAL 111 CO 0.11 0.53 0.00 -2.65 -0.31 0.00 0.00 175.10 172.78 1ju5 n PRO 112 N 2.12 -0.64 0.19 4.82 -0.02 -1.26 0.16 135.00 140.36 1ju5 n PRO 112 Ca -0.17 -0.16 0.11 0.00 -2.02 0.00 0.00 63.50 61.26 1ju5 n PRO 112 Cb 0.52 -1.64 0.12 0.00 -0.02 0.00 0.00 33.50 32.48 1ju5 n PRO 112 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1ju5 h SER 113 N -1.61 0.00 0.01 2.55 0.02 0.16 -3.29 113.55 111.39 1ju5 h SER 113 Ca -0.46 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.08 1ju5 h SER 113 Cb 1.32 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.79 1ju5 h SER 113 CO 0.33 0.06 -2.44 -0.46 -1.14 0.00 0.00 176.83 173.17 1ju5 n ASN 114 N -3.02 1.98 0.24 3.07 0.23 -1.26 -4.32 115.26 112.18 1ju5 n ASN 114 Ca 0.03 0.00 0.16 0.00 -0.53 0.00 0.00 54.58 54.24 1ju5 n ASN 114 Cb 0.56 -0.54 0.84 0.00 -2.08 0.00 0.00 39.78 38.56 1ju5 n ASN 114 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 1ju5 h TYR 115 N -0.24 0.00 -2.54 -2.53 -1.99 -1.95 -3.42 116.97 104.30 1ju5 h TYR 115 Ca -0.59 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 59.53 1ju5 h TYR 115 Cb 1.83 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 40.43 1ju5 h TYR 115 CO 0.01 0.00 -0.73 0.96 -0.00 0.00 0.00 178.16 178.40 1ju5 s ILE 116 N -3.80 2.88 -0.16 -2.88 -5.25 -1.24 -0.04 121.20 110.72 1ju5 s ILE 116 Ca -0.03 -2.05 -0.29 0.00 -0.99 0.00 0.00 60.65 57.29 1ju5 s ILE 116 Cb 0.09 -2.48 0.09 0.00 2.95 0.00 0.00 42.46 43.10 1ju5 s ILE 116 CO 0.28 -0.28 0.81 0.28 -1.79 0.00 0.00 174.94 174.24 1ju5 s THR 117 N -2.15 0.00 0.62 8.37 -1.32 0.20 -4.87 115.64 116.49 1ju5 s THR 117 Ca 0.28 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.58 1ju5 s THR 117 Cb -0.07 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.86 1ju5 s THR 117 CO 0.16 0.00 0.58 -2.65 -2.21 0.00 0.00 174.62 170.49 1ju5 n PRO 118 N 1.47 0.50 -1.07 7.08 -0.02 -1.26 0.95 135.00 142.64 1ju5 n PRO 118 Ca -0.15 0.20 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 1ju5 n PRO 118 Cb 0.57 -1.80 0.19 0.00 -0.02 0.00 0.00 33.50 32.44 1ju5 n PRO 118 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ju5 s VAL 119 N -1.75 2.07 -0.34 -1.45 -7.23 -1.12 -4.52 120.40 106.06 1ju5 s VAL 119 Ca 0.69 0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 60.60 1ju5 s VAL 119 Cb -0.41 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 1ju5 s VAL 119 CO 0.54 -0.03 1.65 0.20 -0.31 0.00 0.00 175.10 177.16 1ju5 s ASN 120 N -3.31 6.09 0.00 4.85 0.02 -1.26 -5.02 114.94 116.31 1ju5 s ASN 120 Ca 0.66 1.18 0.02 0.00 -1.02 0.00 0.00 52.86 53.70 1ju5 s ASN 120 Cb -0.20 -2.53 0.02 0.00 0.02 0.00 0.00 41.25 38.56 1ju5 s ASN 120 CO 0.59 -1.57 0.56 -1.54 0.02 0.00 0.00 177.10 175.16