#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jr9 s ASP 9 N 0.00 0.11 0.25 -3.46 2.15 -1.26 -5.09 116.67 109.36 3jr9 s ASP 9 Ca 0.00 -0.13 0.06 0.00 0.43 0.00 0.00 52.55 52.91 3jr9 s ASP 9 Cb 0.00 1.24 0.29 0.00 -0.30 0.00 0.00 42.92 44.15 3jr9 s ASP 9 CO 0.00 -0.33 1.58 -0.37 -0.17 0.00 0.00 175.17 175.88 3jr9 h VAL 10 N 6.15 1.39 -3.31 1.11 -1.51 -2.06 -3.40 116.25 114.62 3jr9 h VAL 10 Ca -0.11 -1.97 -0.73 0.00 -1.23 0.00 0.00 66.70 62.65 3jr9 h VAL 10 Cb 1.14 2.01 -0.27 0.00 -2.13 0.00 0.00 31.29 32.04 3jr9 h VAL 10 CO 0.26 0.58 -0.37 -0.76 -1.23 0.00 0.00 177.57 176.04 3jr9 s LEU 11 N -7.88 5.60 0.01 4.19 1.43 -1.26 -5.05 118.68 115.72 3jr9 s LEU 11 Ca -0.03 -1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 51.38 3jr9 s LEU 11 Cb 0.12 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 3jr9 s LEU 11 CO 0.79 -0.67 0.06 0.42 0.23 0.00 0.00 176.35 177.18 3jr9 s THR 12 N 1.48 0.09 0.29 5.49 -4.23 -1.26 -1.52 115.64 115.98 3jr9 s THR 12 Ca 0.04 -0.78 0.09 0.00 -1.18 0.00 0.00 61.69 59.86 3jr9 s THR 12 Cb -0.25 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 3jr9 s THR 12 CO 0.02 -0.43 0.05 0.68 -0.54 0.00 0.00 174.62 174.41 3jr9 s VAL 13 N -1.40 3.38 -0.13 2.29 -7.23 -0.16 -4.86 120.40 112.28 3jr9 s VAL 13 Ca -0.15 -1.81 -0.14 0.00 -1.81 0.00 0.00 61.98 58.07 3jr9 s VAL 13 Cb -0.09 -2.93 -0.05 0.00 0.56 0.00 0.00 36.38 33.88 3jr9 s VAL 13 CO 0.00 -0.31 0.32 -0.44 -0.31 0.00 0.00 175.10 174.36 3jr9 s SER 14 N -3.74 6.51 0.25 4.85 0.01 -1.26 -1.36 113.70 118.95 3jr9 s SER 14 Ca 0.33 0.60 0.10 0.00 1.31 0.00 0.00 55.95 58.29 3jr9 s SER 14 Cb -0.05 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.94 3jr9 s SER 14 CO 0.21 0.13 -0.10 0.42 0.41 0.00 0.00 173.24 174.31 3jr9 s THR 15 N 0.23 3.01 -0.04 1.44 -4.23 0.05 -4.96 115.64 111.14 3jr9 s THR 15 Ca 0.18 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.73 3jr9 s THR 15 Cb -0.14 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 3jr9 s THR 15 CO 0.06 -0.31 -0.23 0.68 -0.54 0.00 0.00 174.62 174.28 3jr9 s VAL 16 N -2.21 1.83 0.45 2.29 -7.23 -1.26 -1.99 120.40 112.28 3jr9 s VAL 16 Ca 0.29 -0.96 0.08 0.00 -1.81 0.00 0.00 61.98 59.58 3jr9 s VAL 16 Cb -0.07 -1.54 0.02 0.00 0.56 0.00 0.00 36.38 35.35 3jr9 s VAL 16 CO 0.17 0.51 0.56 0.54 -0.31 0.00 0.00 175.10 176.57 3jr9 s ASN 17 N -0.25 5.43 0.56 4.85 2.20 -0.97 -4.97 114.94 121.79 3jr9 s ASN 17 Ca 0.01 -0.57 0.29 0.00 -0.94 0.00 0.00 52.86 51.65 3jr9 s ASN 17 Cb -0.12 -0.46 1.46 0.00 -2.00 0.00 0.00 41.25 40.14 3jr9 s ASN 17 CO 0.02 -0.84 1.90 0.77 -2.94 0.00 0.00 177.10 176.01 3jr9 h SER 18 N 0.64 0.00 -0.71 3.54 4.64 -2.01 0.17 113.55 119.82 3jr9 h SER 18 Ca -0.39 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.60 3jr9 h SER 18 Cb 1.28 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.17 3jr9 h SER 18 CO 0.47 0.00 0.42 1.67 -0.87 0.00 0.00 176.83 178.52 3jr9 n GLN 19 N -4.03 2.28 -2.65 4.77 7.27 -1.26 -4.91 117.38 118.86 3jr9 n GLN 19 Ca 0.13 -2.31 -0.17 0.00 0.07 0.00 0.00 57.00 54.71 3jr9 n GLN 19 Cb 0.78 -1.93 -0.00 0.00 2.41 0.00 0.00 30.24 31.50 3jr9 n GLN 19 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3jr9 n ASP 20 N -0.56 -4.71 -4.65 1.69 8.00 0.59 -4.95 116.55 111.96 3jr9 n ASP 20 Ca 0.42 -0.01 -0.37 0.00 0.71 0.00 0.00 54.79 55.53 3jr9 n ASP 20 Cb 1.33 -3.92 -0.09 0.00 -0.02 0.00 0.00 41.12 38.41 3jr9 n ASP 20 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3jr9 s GLN 21 N -5.27 4.08 0.33 -1.24 -0.21 -1.25 -4.91 119.66 111.18 3jr9 s GLN 21 Ca 0.10 -0.12 -0.16 0.00 0.02 0.00 0.00 55.36 55.19 3jr9 s GLN 21 Cb -0.05 -3.56 -0.09 0.00 1.00 0.00 0.00 33.01 30.31 3jr9 s GLN 21 CO 0.12 -0.02 0.77 0.08 -2.12 0.00 0.00 175.29 174.12 3jr9 s VAL 22 N 1.29 4.62 -0.28 1.09 1.01 -1.26 -2.30 120.40 124.57 3jr9 s VAL 22 Ca 0.11 1.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.92 3jr9 s VAL 22 Cb -0.14 -3.63 0.13 0.00 0.00 0.00 0.00 36.38 32.73 3jr9 s VAL 22 CO 0.07 -0.17 1.06 0.28 0.00 0.00 0.00 175.10 176.33 3jr9 s THR 23 N -1.97 0.00 0.47 3.92 -1.32 -0.84 -4.98 115.64 110.92 3jr9 s THR 23 Ca 0.54 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.83 3jr9 s THR 23 Cb -0.11 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.79 3jr9 s THR 23 CO 0.17 0.00 0.98 -1.10 -2.21 0.00 0.00 174.62 172.47 3jr9 s GLN 24 N 0.31 4.01 -0.02 7.08 -1.52 -1.26 -0.77 119.66 127.49 3jr9 s GLN 24 Ca 0.02 1.13 -0.04 0.00 -1.95 0.00 0.00 55.36 54.53 3jr9 s GLN 24 Cb -0.05 -2.14 0.00 0.00 -0.22 0.00 0.00 33.01 30.60 3jr9 s GLN 24 CO -0.08 -0.23 0.09 -1.59 -0.25 0.00 0.00 175.29 173.24 3jr9 s LYS 25 N -3.48 0.26 0.40 2.91 -2.85 -0.47 -4.88 119.74 111.64 3jr9 s LYS 25 Ca 0.62 -0.14 -0.26 0.00 -1.00 0.00 0.00 55.97 55.20 3jr9 s LYS 25 Cb -0.11 0.11 -0.10 0.00 -2.06 0.00 0.00 37.83 35.66 3jr9 s LYS 25 CO 0.21 -0.05 1.23 -2.30 0.10 0.00 0.00 175.35 174.53 3jr9 n PRO 26 N 2.32 1.86 -0.01 1.78 -0.02 -1.26 -0.99 135.00 138.68 3jr9 n PRO 26 Ca -0.17 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.10 3jr9 n PRO 26 Cb 0.57 -2.31 0.57 0.00 -0.02 0.00 0.00 33.50 32.32 3jr9 n PRO 26 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3jr9 h LEU 27 N 2.08 0.21 -2.03 2.45 5.85 -1.61 -1.46 115.31 120.81 3jr9 h LEU 27 Ca -0.47 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 3jr9 h LEU 27 Cb 1.30 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 3jr9 h LEU 27 CO 0.60 0.13 -0.09 0.08 -0.34 0.00 0.00 178.44 178.81 3jr9 h ARG 28 N 0.24 0.00 -0.28 1.25 0.11 -1.89 -0.53 114.38 113.28 3jr9 h ARG 28 Ca 0.23 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.18 3jr9 h ARG 28 Cb 0.59 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.66 3jr9 h ARG 28 CO -0.04 0.09 -0.35 -0.44 0.10 0.00 0.00 179.97 179.33 3jr9 h ASP 29 N 0.00 0.65 0.07 0.08 3.45 -1.61 -2.02 116.42 117.05 3jr9 h ASP 29 Ca -0.00 -0.27 -0.00 0.00 0.43 0.00 0.00 57.03 57.19 3jr9 h ASP 29 Cb 0.25 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 3jr9 h ASP 29 CO 0.01 0.94 -0.04 0.28 -1.57 0.00 0.00 179.24 178.87 3jr9 h SER 30 N 0.53 -0.08 -0.79 6.45 0.02 -1.17 -0.55 113.55 117.95 3jr9 h SER 30 Ca 0.06 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.05 3jr9 h SER 30 Cb 0.85 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.34 3jr9 h SER 30 CO 0.07 -0.02 0.46 0.58 -1.14 0.00 0.00 176.83 176.78 3jr9 h VAL 31 N -0.14 0.97 0.06 2.27 2.07 -1.37 0.33 116.25 120.44 3jr9 h VAL 31 Ca -0.01 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3jr9 h VAL 31 Cb 0.11 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3jr9 h VAL 31 CO 0.02 0.15 -0.03 0.50 0.02 0.00 0.00 177.57 178.23 3jr9 h LYS 32 N 0.81 -0.08 -0.19 1.57 3.64 -1.19 -2.09 116.57 119.04 3jr9 h LYS 32 Ca 0.36 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.79 3jr9 h LYS 32 Cb 0.25 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 3jr9 h LYS 32 CO -0.20 0.04 -0.13 0.37 -2.27 0.00 0.00 179.45 177.25 3jr9 h GLN 33 N -0.17 -0.13 -0.32 1.90 4.15 -0.05 0.15 115.11 120.64 3jr9 h GLN 33 Ca -0.01 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.48 3jr9 h GLN 33 Cb 0.15 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.81 3jr9 h GLN 33 CO 0.01 -0.08 -0.07 0.00 -1.93 0.00 0.00 178.83 176.76 3jr9 h ALA 34 N 1.00 0.22 -0.59 3.38 0.00 -0.83 0.14 119.26 122.59 3jr9 h ALA 34 Ca 0.11 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3jr9 h ALA 34 Cb 0.30 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3jr9 h ALA 34 CO -0.28 -0.46 0.20 -0.07 0.00 0.00 0.00 179.25 178.65 3jr9 h LEU 35 N 0.01 0.85 -1.23 0.00 3.38 -1.09 0.42 115.31 117.65 3jr9 h LEU 35 Ca 0.15 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.04 3jr9 h LEU 35 Cb 0.23 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 3jr9 h LEU 35 CO -0.32 0.82 0.57 0.50 0.09 0.00 0.00 178.44 180.10 3jr9 h LYS 36 N 0.83 0.79 0.14 1.13 3.64 0.44 -0.35 116.57 123.19 3jr9 h LYS 36 Ca 0.19 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3jr9 h LYS 36 Cb 0.26 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3jr9 h LYS 36 CO -0.01 0.52 -0.07 -0.97 -2.27 0.00 0.00 179.45 176.65 3jr9 h ASN 37 N 0.81 -0.16 -0.61 4.20 -1.24 -0.18 -2.72 115.58 115.68 3jr9 h ASN 37 Ca 0.43 -0.39 0.11 0.00 0.71 0.00 0.00 56.30 57.16 3jr9 h ASN 37 Cb 0.52 0.04 -0.12 0.00 0.73 0.00 0.00 38.32 39.50 3jr9 h ASN 37 CO -0.19 0.38 -0.32 0.22 -1.29 0.00 0.00 177.43 176.23 3jr9 h TYR 38 N -0.79 -0.86 -0.35 0.67 3.20 0.32 -1.26 116.97 117.90 3jr9 h TYR 38 Ca -0.02 0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 3jr9 h TYR 38 Cb 0.54 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 3jr9 h TYR 38 CO 0.09 -0.37 -0.03 0.74 -1.64 0.00 0.00 178.16 176.94 3jr9 h PHE 39 N -0.14 0.58 -0.14 -3.82 0.05 -1.17 -2.29 116.94 110.02 3jr9 h PHE 39 Ca 0.25 -0.07 -0.00 0.00 3.82 0.00 0.00 57.97 61.96 3jr9 h PHE 39 Cb 0.55 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 38.33 3jr9 h PHE 39 CO -0.63 0.59 0.07 0.00 -0.18 0.00 0.00 178.31 178.16 3jr9 h ALA 40 N 1.44 0.18 -0.62 2.45 0.00 -0.93 -3.05 119.26 118.73 3jr9 h ALA 40 Ca 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3jr9 h ALA 40 Cb 0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3jr9 h ALA 40 CO 0.02 -0.27 0.19 1.96 0.00 0.00 0.00 179.25 181.14 3jr9 h GLN 41 N 0.11 0.94 -6.98 0.00 4.20 -1.02 -3.42 115.11 108.94 3jr9 h GLN 41 Ca 0.05 -0.18 -0.54 0.00 0.06 0.00 0.00 58.65 58.04 3jr9 h GLN 41 Cb 0.10 -0.14 0.11 0.00 0.30 0.00 0.00 27.48 27.84 3jr9 h GLN 41 CO -0.01 0.81 0.66 -0.51 -0.67 0.00 0.00 178.83 179.11 3jr9 s LEU 42 N -9.45 4.12 -0.66 1.46 1.43 -0.89 -4.98 118.68 109.71 3jr9 s LEU 42 Ca -0.11 2.81 0.06 0.00 -1.03 0.00 0.00 54.13 55.86 3jr9 s LEU 42 Cb 0.16 -3.96 0.21 0.00 0.03 0.00 0.00 46.19 42.63 3jr9 s LEU 42 CO 0.81 -1.09 0.63 0.59 0.23 0.00 0.00 176.35 177.52 3jr9 n ASN 43 N -0.16 3.36 -1.13 2.29 5.03 -1.26 -4.78 115.26 118.61 3jr9 n ASN 43 Ca 0.05 -3.33 -0.15 0.00 0.87 0.00 0.00 54.58 52.03 3jr9 n ASN 43 Cb 0.43 -0.71 -0.06 0.00 -1.02 0.00 0.00 39.78 38.42 3jr9 n ASN 43 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3jr9 n GLY 44 N 1.34 1.40 3.77 7.41 0.00 -1.26 -4.94 105.19 112.91 3jr9 n GLY 44 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 3jr9 n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jr9 s GLN 45 N -3.25 4.23 0.31 1.61 -0.21 -1.26 -4.96 119.66 116.14 3jr9 s GLN 45 Ca 0.00 1.93 -0.27 0.00 0.02 0.00 0.00 55.36 57.04 3jr9 s GLN 45 Cb 0.00 -2.87 -0.09 0.00 1.00 0.00 0.00 33.01 31.05 3jr9 s GLN 45 CO 0.00 -0.19 1.03 0.16 -2.12 0.00 0.00 175.29 174.17 3jr9 s ASP 46 N -0.92 7.19 0.13 5.90 -4.77 -1.26 -5.02 116.67 117.93 3jr9 s ASP 46 Ca 0.53 2.08 -0.06 0.00 -3.30 0.00 0.00 52.55 51.80 3jr9 s ASP 46 Cb -0.33 -2.60 -0.06 0.00 -1.09 0.00 0.00 42.92 38.84 3jr9 s ASP 46 CO 0.43 -0.18 0.38 -0.69 0.70 0.00 0.00 175.17 175.80 3jr9 s VAL 47 N -1.38 5.16 0.00 2.11 1.01 -1.26 -5.05 120.40 120.99 3jr9 s VAL 47 Ca 0.49 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.57 3jr9 s VAL 47 Cb -0.26 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3jr9 s VAL 47 CO 0.33 0.08 0.00 -3.20 0.00 0.00 0.00 175.10 172.31 3jr9 n ASN 48 N 0.23 2.42 -3.13 3.32 4.05 -1.26 -4.94 115.26 115.95 3jr9 n ASN 48 Ca -0.03 0.00 -0.21 0.00 0.45 0.00 0.00 54.58 54.79 3jr9 n ASN 48 Cb 0.52 0.03 -0.04 0.00 1.23 0.00 0.00 39.78 41.52 3jr9 n ASN 48 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3jr9 n ASP 49 N -2.01 1.75 0.12 1.20 10.43 -1.26 -4.94 116.55 121.84 3jr9 n ASP 49 Ca 0.00 -3.17 -0.01 0.00 2.57 0.00 0.00 54.79 54.18 3jr9 n ASP 49 Cb 0.29 -0.61 0.10 0.00 1.84 0.00 0.00 41.12 42.75 3jr9 n ASP 49 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3jr9 h LEU 50 N 3.09 0.00 0.19 0.64 5.85 -1.99 -2.21 115.31 120.89 3jr9 h LEU 50 Ca 0.11 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3jr9 h LEU 50 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3jr9 h LEU 50 CO 0.58 0.67 -0.09 0.22 -0.34 0.00 0.00 178.44 179.48 3jr9 h TYR 51 N 0.00 -0.23 0.00 1.25 3.20 -1.99 -1.79 116.97 117.40 3jr9 h TYR 51 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3jr9 h TYR 51 Cb 1.29 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.64 3jr9 h TYR 51 CO 0.00 0.10 0.00 1.49 -1.64 0.00 0.00 178.16 178.11 3jr9 h GLU 52 N -0.60 0.00 0.24 1.82 4.57 -1.98 0.10 114.58 118.73 3jr9 h GLU 52 Ca -0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3jr9 h GLU 52 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3jr9 h GLU 52 CO 0.04 0.00 -0.11 1.25 -1.18 0.00 0.00 179.01 179.01 3jr9 h LEU 53 N 0.00 -0.27 -0.59 1.64 7.12 -1.25 -1.94 115.31 120.02 3jr9 h LEU 53 Ca 0.00 -0.25 -0.15 0.00 0.13 0.00 0.00 57.88 57.61 3jr9 h LEU 53 Cb 0.51 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.70 3jr9 h LEU 53 CO 0.00 0.16 -0.52 0.58 -0.13 0.00 0.00 178.44 178.53 3jr9 h VAL 54 N -0.77 1.32 -0.57 1.05 2.07 -1.17 -2.44 116.25 115.75 3jr9 h VAL 54 Ca -0.03 -1.76 0.04 0.00 0.82 0.00 0.00 66.70 65.77 3jr9 h VAL 54 Cb 0.50 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 3jr9 h VAL 54 CO 0.05 0.54 0.31 0.25 0.02 0.00 0.00 177.57 178.75 3jr9 h LEU 55 N 0.39 0.47 -0.90 2.57 5.85 -1.02 -1.42 115.31 121.25 3jr9 h LEU 55 Ca 0.01 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3jr9 h LEU 55 Cb 1.04 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 3jr9 h LEU 55 CO 0.10 0.32 0.36 0.00 -0.34 0.00 0.00 178.44 178.87 3jr9 h ALA 56 N 1.29 1.13 0.00 1.25 0.00 -1.16 0.27 119.26 122.04 3jr9 h ALA 56 Ca 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3jr9 h ALA 56 Cb 0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3jr9 h ALA 56 CO -0.15 0.64 -0.15 1.49 0.00 0.00 0.00 179.25 181.08 3jr9 h GLU 57 N 1.14 0.00 0.00 0.00 4.57 -0.87 -3.10 114.58 116.32 3jr9 h GLU 57 Ca 0.27 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 58.08 3jr9 h GLU 57 Cb 0.15 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.67 3jr9 h GLU 57 CO -0.03 0.15 -2.39 0.28 -1.18 0.00 0.00 179.01 175.84 3jr9 n VAL 58 N -3.67 1.40 -0.19 0.32 0.31 -0.61 -4.48 118.33 111.41 3jr9 n VAL 58 Ca -0.02 -0.64 -0.09 0.00 -0.01 0.00 0.00 64.34 63.59 3jr9 n VAL 58 Cb 0.27 -1.09 0.01 0.00 -0.91 0.00 0.00 33.84 32.13 3jr9 n VAL 58 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3jr9 h GLU 59 N 0.00 0.92 0.22 5.55 5.08 -0.57 -2.79 114.58 122.99 3jr9 h GLU 59 Ca -0.55 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 57.56 3jr9 h GLU 59 Cb 1.97 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 31.08 3jr9 h GLU 59 CO -0.05 0.90 -0.44 1.96 -1.00 0.00 0.00 179.01 180.38 3jr9 h GLN 60 N 0.80 -0.72 0.00 2.33 4.20 -1.77 0.11 115.11 120.06 3jr9 h GLN 60 Ca 0.16 0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 3jr9 h GLN 60 Cb 0.44 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 3jr9 h GLN 60 CO 0.02 -0.48 -0.13 -1.35 -0.67 0.00 0.00 178.83 176.22 3jr9 h PRO 61 N -0.75 0.00 -0.14 1.46 0.11 -1.78 0.16 132.00 131.06 3jr9 h PRO 61 Ca -0.00 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.96 3jr9 h PRO 61 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3jr9 h PRO 61 CO -0.19 0.13 -0.48 1.25 -0.21 0.00 0.00 178.00 178.49 3jr9 h LEU 62 N 0.00 0.67 -0.19 2.35 5.85 -1.17 -2.14 115.31 120.69 3jr9 h LEU 62 Ca -0.00 -0.61 -0.05 0.00 0.84 0.00 0.00 57.88 58.06 3jr9 h LEU 62 Cb 0.43 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3jr9 h LEU 62 CO 0.02 1.16 -0.08 -0.07 -0.34 0.00 0.00 178.44 179.13 3jr9 h LEU 63 N 0.22 0.39 -0.40 2.25 3.38 -0.35 -2.01 115.31 118.78 3jr9 h LEU 63 Ca -0.02 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.63 3jr9 h LEU 63 Cb 1.11 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 3jr9 h LEU 63 CO 0.10 0.70 -0.23 -0.78 0.09 0.00 0.00 178.44 178.32 3jr9 h ASP 64 N 0.07 -0.77 -0.30 -0.43 1.82 -0.75 -1.89 116.42 114.18 3jr9 h ASP 64 Ca 0.04 0.16 -0.18 0.00 -0.39 0.00 0.00 57.03 56.66 3jr9 h ASP 64 Cb 0.55 0.40 0.00 0.00 0.68 0.00 0.00 39.33 40.96 3jr9 h ASP 64 CO 0.02 -0.25 -0.53 0.24 -1.61 0.00 0.00 179.24 177.11 3jr9 h MET 65 N -0.16 0.88 -0.05 0.28 2.86 -1.30 -2.45 114.93 114.99 3jr9 h MET 65 Ca 0.19 -0.55 -0.18 0.00 -2.06 0.00 0.00 59.70 57.10 3jr9 h MET 65 Cb 0.46 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3jr9 h MET 65 CO -0.50 1.19 -0.76 -0.39 1.06 0.00 0.00 176.91 177.52 3jr9 h VAL 66 N 0.67 1.41 -0.49 -2.22 -1.51 -1.18 0.11 116.25 113.04 3jr9 h VAL 66 Ca 0.02 -2.26 -0.08 0.00 -1.23 0.00 0.00 66.70 63.15 3jr9 h VAL 66 Cb 1.14 2.21 -0.02 0.00 -2.13 0.00 0.00 31.29 32.48 3jr9 h VAL 66 CO 0.12 0.67 -0.03 0.24 -1.23 0.00 0.00 177.57 177.34 3jr9 h MET 67 N 0.20 0.84 -0.21 5.19 2.07 -1.39 0.37 114.93 122.00 3jr9 h MET 67 Ca -0.03 -0.25 -0.03 0.00 -2.07 0.00 0.00 59.70 57.32 3jr9 h MET 67 Cb 1.33 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.97 3jr9 h MET 67 CO 0.12 0.86 -0.00 0.37 1.07 0.00 0.00 176.91 179.33 3jr9 h GLN 68 N 0.78 0.37 -0.63 1.72 4.15 -1.14 0.24 115.11 120.61 3jr9 h GLN 68 Ca 0.14 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 3jr9 h GLN 68 Cb 0.50 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 3jr9 h GLN 68 CO 0.03 0.57 0.22 -0.92 -1.93 0.00 0.00 178.83 176.80 3jr9 h TYR 69 N 0.14 0.98 -0.27 3.99 3.20 -0.57 -2.60 116.97 121.84 3jr9 h TYR 69 Ca 0.06 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3jr9 h TYR 69 Cb 0.40 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3jr9 h TYR 69 CO 0.03 0.79 0.00 0.25 -1.64 0.00 0.00 178.16 177.60 3jr9 n THR 70 N -4.41 0.65 -2.55 1.81 -2.24 0.13 -4.92 114.28 102.76 3jr9 n THR 70 Ca 0.04 -0.45 -0.19 0.00 -2.27 0.00 0.00 64.05 61.18 3jr9 n THR 70 Cb 0.19 -0.04 -0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3jr9 n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3jr9 n ARG 71 N 0.31 -2.40 -0.05 -0.78 3.00 -0.56 -1.00 116.66 115.17 3jr9 n ARG 71 Ca 0.10 0.87 0.00 0.00 -0.00 0.00 0.00 57.85 58.82 3jr9 n ARG 71 Cb 0.39 -5.55 0.00 0.00 0.00 0.00 0.00 32.46 27.30 3jr9 n ARG 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3jr9 n GLY 72 N -1.05 0.84 3.56 5.14 0.00 0.76 -5.01 105.19 109.42 3jr9 n GLY 72 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3jr9 n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jr9 s ASN 73 N -2.66 5.30 0.46 1.61 3.84 -0.17 -4.84 114.94 118.47 3jr9 s ASN 73 Ca 0.00 -0.24 0.20 0.00 0.21 0.00 0.00 52.86 53.02 3jr9 s ASN 73 Cb 0.00 -2.55 1.17 0.00 -0.55 0.00 0.00 41.25 39.33 3jr9 s ASN 73 CO 0.00 -2.49 1.91 1.56 -2.79 0.00 0.00 177.10 175.30 3jr9 h GLN 74 N 12.83 0.28 0.17 0.43 4.20 -1.95 -0.96 115.11 130.12 3jr9 h GLN 74 Ca -0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3jr9 h GLN 74 Cb 1.08 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3jr9 h GLN 74 CO 1.23 0.19 -0.08 1.15 -0.67 0.00 0.00 178.83 180.64 3jr9 h THR 75 N 0.29 0.91 -0.34 -0.54 2.02 -1.97 -1.20 112.91 112.08 3jr9 h THR 75 Ca 0.38 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.52 3jr9 h THR 75 Cb 1.06 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 3jr9 h THR 75 CO -0.10 0.20 -0.08 0.03 0.37 0.00 0.00 175.52 175.94 3jr9 h ARG 76 N -0.75 0.58 0.09 6.66 3.08 -1.91 -1.97 114.38 120.15 3jr9 h ARG 76 Ca -0.02 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3jr9 h ARG 76 Cb 0.51 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3jr9 h ARG 76 CO 0.04 0.66 -0.10 0.00 -1.07 0.00 0.00 179.97 179.50 3jr9 h ALA 77 N 1.38 -0.18 -0.80 0.04 0.00 -1.16 -0.54 119.26 117.99 3jr9 h ALA 77 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3jr9 h ALA 77 Cb 0.47 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3jr9 h ALA 77 CO 0.03 -0.62 0.48 0.00 0.00 0.00 0.00 179.25 179.14 3jr9 h ALA 78 N 0.68 1.34 -0.49 0.00 0.00 -0.99 -1.77 119.26 118.03 3jr9 h ALA 78 Ca 0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3jr9 h ALA 78 Cb 0.21 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3jr9 h ALA 78 CO -0.03 0.57 -0.11 -0.07 0.00 0.00 0.00 179.25 179.61 3jr9 h LEU 79 N 1.11 0.89 -0.09 0.00 3.38 -1.16 -0.66 115.31 118.78 3jr9 h LEU 79 Ca 0.29 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jr9 h LEU 79 Cb -0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 3jr9 h LEU 79 CO -0.05 1.02 0.04 -0.03 0.09 0.00 0.00 178.44 179.50 3jr9 h MET 80 N 0.80 0.13 0.00 1.13 4.05 -0.67 -2.89 114.93 117.49 3jr9 h MET 80 Ca 0.13 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 3jr9 h MET 80 Cb 0.63 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 3jr9 h MET 80 CO 0.04 0.22 0.00 0.52 0.23 0.00 0.00 176.91 177.92 3jr9 h MET 81 N 0.01 0.00 -2.29 0.39 2.86 -1.21 -3.47 114.93 111.22 3jr9 h MET 81 Ca 0.03 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.49 3jr9 h MET 81 Cb 0.13 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.82 3jr9 h MET 81 CO -0.00 0.00 -0.27 0.41 1.06 0.00 0.00 176.91 178.10 3jr9 n GLY 82 N 0.57 0.15 3.39 8.32 0.00 -0.34 -5.06 105.19 112.22 3jr9 n GLY 82 Ca 0.03 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 3jr9 n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3jr9 s ILE 83 N -2.82 1.42 0.52 -0.61 -4.36 -0.72 -5.04 121.20 109.59 3jr9 s ILE 83 Ca 0.14 -2.09 -0.21 0.00 -0.26 0.00 0.00 60.65 58.22 3jr9 s ILE 83 Cb -0.06 -2.38 -0.06 0.00 1.25 0.00 0.00 42.46 41.21 3jr9 s ILE 83 CO 0.17 -0.33 1.22 0.21 0.24 0.00 0.00 174.94 176.44 3jr9 s ASN 84 N -3.38 5.71 0.37 4.36 3.84 -1.26 -4.37 114.94 120.20 3jr9 s ASN 84 Ca 0.28 2.42 0.08 0.00 0.21 0.00 0.00 52.86 55.85 3jr9 s ASN 84 Cb 0.04 -2.61 0.79 0.00 -0.55 0.00 0.00 41.25 38.93 3jr9 s ASN 84 CO 0.10 -1.24 1.94 -0.09 -2.79 0.00 0.00 177.10 175.02 3jr9 h ARG 85 N 1.59 0.68 -0.24 0.43 2.43 -1.91 -1.31 114.38 116.05 3jr9 h ARG 85 Ca -0.50 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.61 3jr9 h ARG 85 Cb 1.27 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 3jr9 h ARG 85 CO 0.58 0.45 0.06 0.78 -1.51 0.00 0.00 179.97 180.34 3jr9 h GLY 86 N 0.70 0.41 0.62 2.80 0.00 -1.98 -1.66 103.07 103.95 3jr9 h GLY 86 Ca 0.35 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.48 3jr9 h GLY 86 CO -0.13 0.23 0.19 -0.84 0.00 0.00 0.00 176.54 175.99 3jr9 h THR 87 N 0.21 0.88 -0.48 4.70 2.02 -1.73 -1.58 112.91 116.93 3jr9 h THR 87 Ca 0.08 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.16 3jr9 h THR 87 Cb 0.26 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 3jr9 h THR 87 CO -0.00 0.07 0.25 0.25 0.37 0.00 0.00 175.52 176.46 3jr9 h LEU 88 N 0.37 0.37 -0.20 2.58 5.85 -1.04 -1.25 115.31 121.99 3jr9 h LEU 88 Ca 0.22 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.98 3jr9 h LEU 88 Cb 0.20 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3jr9 h LEU 88 CO -0.20 0.26 0.06 0.03 -0.34 0.00 0.00 178.44 178.25 3jr9 h ARG 89 N 0.50 0.15 -0.43 1.25 3.08 -0.77 0.02 114.38 118.17 3jr9 h ARG 89 Ca 0.20 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.32 3jr9 h ARG 89 Cb 0.09 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 3jr9 h ARG 89 CO -0.13 0.10 0.05 -0.22 -1.07 0.00 0.00 179.97 178.69 3jr9 h LYS 90 N 0.15 0.16 -0.33 0.04 3.64 -0.82 -1.11 116.57 118.30 3jr9 h LYS 90 Ca 0.09 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3jr9 h LYS 90 Cb 0.07 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3jr9 h LYS 90 CO -0.10 0.11 -0.14 0.87 -2.27 0.00 0.00 179.45 177.91 3jr9 h LYS 91 N 0.17 0.59 -0.13 1.90 1.57 -0.78 -0.26 116.57 119.64 3jr9 h LYS 91 Ca 0.21 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3jr9 h LYS 91 Cb 0.29 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3jr9 h LYS 91 CO -0.31 0.72 0.05 -0.07 -0.57 0.00 0.00 179.45 179.27 3jr9 h LEU 92 N 0.54 0.17 -0.99 2.94 3.38 -0.31 -2.88 115.31 118.16 3jr9 h LEU 92 Ca 0.09 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3jr9 h LEU 92 Cb 0.56 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3jr9 h LEU 92 CO 0.04 0.28 -0.17 0.07 0.09 0.00 0.00 178.44 178.74 3jr9 h LYS 93 N 0.06 0.53 -1.00 1.13 5.09 -0.98 0.21 116.57 121.60 3jr9 h LYS 93 Ca 0.04 -0.17 0.13 0.00 0.09 0.00 0.00 60.65 60.74 3jr9 h LYS 93 Cb 0.16 -0.04 -0.09 0.00 0.10 0.00 0.00 32.23 32.36 3jr9 h LYS 93 CO -0.00 0.68 0.63 -0.22 -2.09 0.00 0.00 179.45 178.45 3jr9 h LYS 94 N 0.48 0.91 -0.58 0.07 3.64 -0.88 -0.11 116.57 120.10 3jr9 h LYS 94 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3jr9 h LYS 94 Cb 0.58 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3jr9 h LYS 94 CO 0.04 0.60 0.00 0.66 -2.27 0.00 0.00 179.45 178.48 3jr9 n TYR 95 N -4.64 0.77 -3.42 1.91 4.01 -1.05 -4.98 117.16 109.77 3jr9 n TYR 95 Ca 0.20 -0.43 -0.18 0.00 -0.16 0.00 0.00 57.90 57.33 3jr9 n TYR 95 Cb 0.40 -0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.51 3jr9 n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jr9 n GLY 96 N 1.45 -0.37 2.91 2.72 0.00 -0.06 -4.98 105.19 106.86 3jr9 n GLY 96 Ca 0.21 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 3jr9 n GLY 96 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3jr9 s MET 97 N -5.63 2.32 0.00 1.61 0.23 -0.07 -5.00 119.30 112.76 3jr9 s MET 97 Ca 0.20 -3.13 0.00 0.00 -1.03 0.00 0.00 55.69 51.72 3jr9 s MET 97 Cb -0.09 -3.38 0.00 0.00 -1.53 0.00 0.00 34.83 29.83 3jr9 s MET 97 CO 0.69 -1.23 0.00 0.27 -2.03 0.00 0.00 175.02 172.72