#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4q n PRO 2 N 0.00 1.51 -2.26 -2.82 -0.02 -1.26 -4.74 135.00 125.41 1r4q n PRO 2 Ca 0.00 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1r4q n PRO 2 Cb 0.00 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.19 1r4q n PRO 2 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1r4q s ASP 3 N -0.79 6.93 -0.15 2.55 1.11 -1.26 -2.35 116.67 122.71 1r4q s ASP 3 Ca 0.66 2.32 0.02 0.00 0.18 0.00 0.00 52.55 55.73 1r4q s ASP 3 Cb -0.49 -2.60 -0.11 0.00 1.07 0.00 0.00 42.92 40.79 1r4q s ASP 3 CO 0.54 -0.52 -0.12 0.00 1.18 0.00 0.00 175.17 176.25 1r4q s VAL 5 N -2.31 0.00 -0.01 0.00 0.11 -1.08 -5.01 120.40 112.10 1r4q s VAL 5 Ca -0.20 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 1r4q s VAL 5 Cb 0.05 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1r4q s VAL 5 CO 0.38 0.00 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.18 1r4q s THR 6 N -0.63 0.61 -4.24 5.04 2.01 -1.26 -0.55 115.64 116.63 1r4q s THR 6 Ca -0.03 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1r4q s THR 6 Cb -0.02 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.97 1r4q s THR 6 CO 0.02 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 1r4q n GLY 7 N 2.98 -1.04 3.88 4.40 0.00 -0.32 -4.67 105.19 110.42 1r4q n GLY 7 Ca -0.14 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 1r4q n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4q s LYS 8 N -1.70 3.79 -0.29 1.61 1.02 -1.26 0.66 119.74 123.58 1r4q s LYS 8 Ca 0.00 0.31 -0.29 0.00 0.02 0.00 0.00 55.97 56.01 1r4q s LYS 8 Cb 0.00 -2.56 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1r4q s LYS 8 CO 0.00 0.19 1.10 0.08 -0.92 0.00 0.00 175.35 175.80 1r4q s VAL 9 N -2.02 4.50 -0.04 3.17 1.01 -1.26 -4.44 120.40 121.32 1r4q s VAL 9 Ca 0.48 1.76 -0.24 0.00 0.00 0.00 0.00 61.98 63.98 1r4q s VAL 9 Cb -0.11 -4.34 -0.23 0.00 0.00 0.00 0.00 36.38 31.71 1r4q s VAL 9 CO 0.25 -0.38 1.06 -0.08 0.00 0.00 0.00 175.10 175.94 1r4q h GLU 10 N 8.04 0.17 -2.43 2.72 4.81 -1.31 -3.46 114.58 123.12 1r4q h GLU 10 Ca -0.21 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 58.83 1r4q h GLU 10 Cb 1.07 0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.33 1r4q h GLU 10 CO 1.02 0.88 0.24 1.52 -0.73 0.00 0.00 179.01 181.94 1r4q s TYR 11 N -3.26 -0.57 0.25 0.92 -0.85 -1.25 -5.02 117.35 107.57 1r4q s TYR 11 Ca -0.16 0.68 0.10 0.00 -0.52 0.00 0.00 57.07 57.18 1r4q s TYR 11 Cb 0.01 0.49 -0.05 0.00 0.38 0.00 0.00 41.96 42.79 1r4q s TYR 11 CO 0.74 -0.69 -0.18 0.95 -1.52 0.00 0.00 175.55 174.84 1r4q s THR 12 N -2.45 2.21 -0.03 -3.49 -4.23 -1.26 -1.21 115.64 105.19 1r4q s THR 12 Ca -0.04 -2.30 -0.03 0.00 -1.18 0.00 0.00 61.69 58.14 1r4q s THR 12 Cb -0.01 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.65 1r4q s THR 12 CO -0.02 -0.44 0.09 -0.75 -0.54 0.00 0.00 174.62 172.96 1r4q s LYS 13 N -3.46 0.15 -0.37 3.99 2.20 0.86 -4.98 119.74 118.14 1r4q s LYS 13 Ca 0.26 0.03 -0.13 0.00 -0.36 0.00 0.00 55.97 55.77 1r4q s LYS 13 Cb -0.04 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 1r4q s LYS 13 CO 0.12 -0.02 0.25 -0.47 -0.36 0.00 0.00 175.35 174.87 1r4q s TYR 14 N -0.18 3.23 0.53 4.03 6.14 -1.26 -0.88 117.35 128.96 1r4q s TYR 14 Ca -0.02 -0.45 -0.09 0.00 0.64 0.00 0.00 57.07 57.14 1r4q s TYR 14 Cb -0.02 -2.51 -0.05 0.00 0.42 0.00 0.00 41.96 39.81 1r4q s TYR 14 CO 0.00 -0.48 0.90 -0.80 0.64 0.00 0.00 175.55 175.81 1r4q s ASN 15 N 1.68 6.33 0.29 4.32 0.01 -0.94 -4.96 114.94 121.67 1r4q s ASN 15 Ca 0.05 1.22 0.18 0.00 -0.71 0.00 0.00 52.86 53.60 1r4q s ASN 15 Cb -0.18 -2.37 1.00 0.00 0.41 0.00 0.00 41.25 40.10 1r4q s ASN 15 CO 0.10 -0.66 1.55 -0.67 -1.51 0.00 0.00 177.10 175.90 1r4q n ASP 16 N -2.22 0.48 -1.41 -1.22 2.03 -1.26 -1.39 116.55 111.55 1r4q n ASP 16 Ca 0.04 0.71 -0.07 0.00 0.52 0.00 0.00 54.79 55.98 1r4q n ASP 16 Cb 0.54 -0.76 0.21 0.00 -0.72 0.00 0.00 41.12 40.40 1r4q n ASP 16 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1r4q n ASP 17 N -2.15 3.06 0.00 1.67 5.68 -1.26 -4.93 116.55 118.61 1r4q n ASP 17 Ca -0.01 -3.62 0.00 0.00 -0.50 0.00 0.00 54.79 50.66 1r4q n ASP 17 Cb 0.07 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.37 1r4q n ASP 17 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1r4q n ASP 18 N -0.99 -4.72 -4.92 -1.12 8.00 -0.49 -4.98 116.55 107.33 1r4q n ASP 18 Ca 0.38 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.61 1r4q n ASP 18 Cb 1.18 -2.96 0.03 0.00 -0.02 0.00 0.00 41.12 39.34 1r4q n ASP 18 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1r4q s THR 19 N -1.17 3.86 -0.19 -3.53 -4.23 -1.26 -4.90 115.64 104.22 1r4q s THR 19 Ca 0.00 0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1r4q s THR 19 Cb 0.00 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.33 1r4q s THR 19 CO 0.00 -0.53 -0.12 0.12 -0.54 0.00 0.00 174.62 173.55 1r4q s PHE 20 N -2.94 2.86 0.04 3.99 5.36 -0.27 -2.22 117.98 124.80 1r4q s PHE 20 Ca 0.53 -1.20 -0.13 0.00 -0.96 0.00 0.00 56.93 55.16 1r4q s PHE 20 Cb -0.10 -1.99 -0.06 0.00 -0.34 0.00 0.00 43.02 40.53 1r4q s PHE 20 CO 0.45 -0.61 0.43 0.99 -1.46 0.00 0.00 175.22 175.01 1r4q s THR 21 N 1.25 5.02 -0.02 0.12 2.01 -0.06 -1.83 115.64 122.13 1r4q s THR 21 Ca 0.03 0.74 0.06 0.00 0.31 0.00 0.00 61.69 62.83 1r4q s THR 21 Cb -0.14 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 1r4q s THR 21 CO -0.06 0.46 -0.19 0.54 -0.69 0.00 0.00 174.62 174.68 1r4q s VAL 22 N -1.21 1.52 -0.32 3.82 0.11 0.76 -0.10 120.40 124.97 1r4q s VAL 22 Ca 0.28 -0.82 -0.02 0.00 -2.93 0.00 0.00 61.98 58.49 1r4q s VAL 22 Cb -0.16 -1.26 0.06 0.00 -1.53 0.00 0.00 36.38 33.49 1r4q s VAL 22 CO 0.16 0.43 0.04 -0.75 -3.33 0.00 0.00 175.10 171.65 1r4q s LYS 23 N -0.44 2.29 -0.11 1.54 2.47 -0.35 -1.64 119.74 123.50 1r4q s LYS 23 Ca 0.07 -1.41 0.02 0.00 -1.56 0.00 0.00 55.97 53.09 1r4q s LYS 23 Cb -0.08 -3.27 0.01 0.00 -1.46 0.00 0.00 37.83 33.04 1r4q s LYS 23 CO -0.01 -0.73 -0.17 0.08 0.16 0.00 0.00 175.35 174.68 1r4q s VAL 24 N 1.21 1.65 0.00 4.02 1.01 -0.81 -0.70 120.40 126.79 1r4q s VAL 24 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1r4q s VAL 24 Cb -0.20 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1r4q s VAL 24 CO -0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1r4q n GLY 25 N 4.12 2.39 0.95 4.51 0.00 -1.26 -2.26 105.19 113.64 1r4q n GLY 25 Ca -0.19 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.57 1r4q n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1r4q n ASP 26 N 5.18 3.14 -4.59 1.61 5.75 -1.26 -4.97 116.55 121.42 1r4q n ASP 26 Ca 0.00 -1.91 -0.27 0.00 -0.01 0.00 0.00 54.79 52.61 1r4q n ASP 26 Cb 0.00 -0.22 -0.09 0.00 -1.03 0.00 0.00 41.12 39.78 1r4q n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1r4q s LYS 27 N -1.27 2.14 -0.31 0.11 -0.14 -0.96 -4.92 119.74 114.39 1r4q s LYS 27 Ca 0.32 -1.24 0.03 0.00 -1.36 0.00 0.00 55.97 53.72 1r4q s LYS 27 Cb 0.19 -2.20 0.09 0.00 -1.68 0.00 0.00 37.83 34.22 1r4q s LYS 27 CO 0.26 0.44 0.01 -2.00 -0.76 0.00 0.00 175.35 173.30 1r4q s GLU 28 N -2.89 1.58 0.20 1.68 2.12 -1.26 -1.92 118.70 118.21 1r4q s GLU 28 Ca 0.26 -1.64 0.09 0.00 0.36 0.00 0.00 54.97 54.03 1r4q s GLU 28 Cb -0.09 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 1r4q s GLU 28 CO 0.16 -0.84 -0.04 -0.51 -0.54 0.00 0.00 175.26 173.48 1r4q s LEU 29 N 1.03 3.13 0.13 2.70 1.43 -0.65 -0.39 118.68 126.07 1r4q s LEU 29 Ca 0.06 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1r4q s LEU 29 Cb -0.19 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1r4q s LEU 29 CO -0.09 0.07 -0.11 0.72 0.23 0.00 0.00 176.35 177.17 1r4q s PHE 30 N -1.90 1.29 0.09 0.29 -0.12 -0.92 -0.17 117.98 116.54 1r4q s PHE 30 Ca 0.28 -0.67 0.02 0.00 -0.05 0.00 0.00 56.93 56.51 1r4q s PHE 30 Cb -0.08 -0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 1r4q s PHE 30 CO 0.18 0.10 -0.07 -0.08 -0.05 0.00 0.00 175.22 175.29 1r4q s THR 31 N -2.77 0.75 -0.07 -4.49 -1.32 -0.76 -1.29 115.64 105.68 1r4q s THR 31 Ca 0.12 -1.79 0.10 0.00 -1.21 0.00 0.00 61.69 58.92 1r4q s THR 31 Cb -0.01 -1.51 0.16 0.00 -1.51 0.00 0.00 72.50 69.63 1r4q s THR 31 CO 0.02 -0.75 1.07 -0.46 -2.21 0.00 0.00 174.62 172.28 1r4q n ASN 32 N 0.23 2.06 -4.57 8.08 6.94 -1.26 -1.11 115.26 125.63 1r4q n ASN 32 Ca -0.14 -2.56 -0.43 0.00 -0.02 0.00 0.00 54.58 51.43 1r4q n ASN 32 Cb 0.60 -0.24 -0.03 0.00 -2.36 0.00 0.00 39.78 37.74 1r4q n ASN 32 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1r4q s ARG 33 N -1.95 3.55 0.51 -3.83 1.81 -1.26 -4.87 118.95 112.91 1r4q s ARG 33 Ca 0.17 0.23 0.18 0.00 -1.72 0.00 0.00 55.73 54.59 1r4q s ARG 33 Cb 0.15 -3.95 1.30 0.00 -0.45 0.00 0.00 34.95 31.99 1r4q s ARG 33 CO 0.02 -1.38 2.12 -1.49 -0.68 0.00 0.00 175.30 173.88 1r4q h TRP 34 N 9.23 0.00 -0.69 -0.53 4.06 -1.93 -2.85 115.95 123.24 1r4q h TRP 34 Ca -0.24 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.71 1r4q h TRP 34 Cb 1.07 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.19 1r4q h TRP 34 CO 0.93 0.06 0.43 -0.91 -3.56 0.00 0.00 178.44 175.39 1r4q h ASN 35 N 0.00 0.81 0.75 -3.49 2.35 -2.01 -2.86 115.58 111.13 1r4q h ASN 35 Ca -0.00 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1r4q h ASN 35 Cb 0.11 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1r4q h ASN 35 CO 0.01 0.62 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.18 1r4q h LEU 36 N 0.95 0.00 -0.23 1.61 3.38 -1.92 -3.35 115.31 115.74 1r4q h LEU 36 Ca 0.25 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.28 1r4q h LEU 36 Cb -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 1r4q h LEU 36 CO -0.05 0.16 -0.33 1.56 0.09 0.00 0.00 178.44 179.87 1r4q h GLN 37 N 0.00 -0.34 0.00 1.13 4.20 -1.64 0.22 115.11 118.68 1r4q h GLN 37 Ca -0.00 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1r4q h GLN 37 Cb 0.57 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1r4q h GLN 37 CO 0.02 -0.23 -0.17 0.66 -0.67 0.00 0.00 178.83 178.45 1r4q h SER 38 N -0.35 0.00 -0.19 1.46 4.64 -1.80 -2.37 113.55 114.94 1r4q h SER 38 Ca 0.12 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.33 1r4q h SER 38 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1r4q h SER 38 CO -0.43 0.17 -0.32 -0.07 -0.87 0.00 0.00 176.83 175.30 1r4q h LEU 39 N 0.00 0.62 -0.90 5.97 3.38 -1.48 -2.47 115.31 120.42 1r4q h LEU 39 Ca -0.00 -0.53 -0.11 0.00 0.09 0.00 0.00 57.88 57.33 1r4q h LEU 39 Cb 0.91 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1r4q h LEU 39 CO 0.02 1.03 -0.39 -0.07 0.09 0.00 0.00 178.44 179.13 1r4q h LEU 40 N 0.22 0.34 -0.63 1.67 3.38 -0.53 -2.00 115.31 117.77 1r4q h LEU 40 Ca 0.01 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1r4q h LEU 40 Cb 0.91 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1r4q h LEU 40 CO 0.07 0.70 -0.32 0.25 0.09 0.00 0.00 178.44 179.23 1r4q h LEU 41 N 0.28 0.76 -0.96 1.67 5.85 -1.40 -0.14 115.31 121.37 1r4q h LEU 41 Ca 0.03 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 1r4q h LEU 41 Cb 0.81 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1r4q h LEU 41 CO 0.06 1.02 0.11 0.28 -0.34 0.00 0.00 178.44 179.58 1r4q h SER 42 N 0.61 0.81 -0.28 1.25 0.02 -1.19 0.35 113.55 115.13 1r4q h SER 42 Ca 0.07 -0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 60.75 1r4q h SER 42 Cb 0.85 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1r4q h SER 42 CO 0.07 0.81 -0.19 0.00 -1.14 0.00 0.00 176.83 176.38 1r4q h ALA 43 N 1.29 0.94 -0.17 3.77 0.00 -1.03 -1.36 119.26 122.70 1r4q h ALA 43 Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1r4q h ALA 43 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1r4q h ALA 43 CO 0.00 0.61 0.07 0.37 0.00 0.00 0.00 179.25 180.31 1r4q h GLN 44 N 0.66 0.24 -0.43 0.00 4.15 -0.03 -1.52 115.11 118.17 1r4q h GLN 44 Ca 0.10 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 1r4q h GLN 44 Cb 0.68 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.31 1r4q h GLN 44 CO 0.05 0.30 0.16 0.82 -1.93 0.00 0.00 178.83 178.24 1r4q h ILE 45 N 0.13 1.21 -0.10 2.39 2.04 -0.69 -3.09 117.51 119.39 1r4q h ILE 45 Ca 0.06 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1r4q h ILE 45 Cb 0.14 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1r4q h ILE 45 CO -0.01 0.24 0.00 0.35 0.00 0.00 0.00 178.15 178.73 1r4q n THR 46 N -4.60 0.14 -1.58 -0.27 -2.24 -0.54 -4.93 114.28 100.26 1r4q n THR 46 Ca 0.00 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1r4q n THR 46 Cb 0.16 0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 1r4q n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r4q n GLY 47 N 0.80 1.01 3.73 3.38 0.00 -0.98 -4.99 105.19 108.14 1r4q n GLY 47 Ca 0.09 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1r4q n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r4q s MET 48 N -3.46 1.68 -0.21 1.61 -1.94 -0.61 -4.97 119.30 111.40 1r4q s MET 48 Ca 0.00 1.14 -0.07 0.00 -1.71 0.00 0.00 55.69 55.05 1r4q s MET 48 Cb 0.00 -1.83 -0.04 0.00 2.01 0.00 0.00 34.83 34.97 1r4q s MET 48 CO 0.00 -2.04 0.06 0.99 -0.01 0.00 0.00 175.02 174.03 1r4q s THR 49 N -2.85 4.53 0.24 2.05 2.01 -0.38 -4.08 115.64 117.17 1r4q s THR 49 Ca 0.63 -0.11 0.09 0.00 0.31 0.00 0.00 61.69 62.61 1r4q s THR 49 Cb -0.19 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1r4q s THR 49 CO 0.57 0.40 -0.04 0.68 -0.69 0.00 0.00 174.62 175.54 1r4q s VAL 50 N 0.95 3.34 -0.10 3.82 -7.23 0.21 -1.82 120.40 119.57 1r4q s VAL 50 Ca 0.04 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.35 1r4q s VAL 50 Cb -0.14 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.07 1r4q s VAL 50 CO 0.03 -0.31 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.49 1r4q s THR 51 N -2.17 1.30 -0.23 5.32 2.01 -0.30 -1.17 115.64 120.40 1r4q s THR 51 Ca 0.30 -0.52 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 1r4q s THR 51 Cb -0.07 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 1r4q s THR 51 CO 0.18 0.40 0.06 -0.63 -0.69 0.00 0.00 174.62 173.95 1r4q s ILE 52 N 1.08 4.38 -0.13 1.82 1.01 0.29 -0.11 121.20 129.53 1r4q s ILE 52 Ca -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 1r4q s ILE 52 Cb -0.15 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1r4q s ILE 52 CO -0.02 0.37 0.02 -0.54 0.00 0.00 0.00 174.94 174.77 1r4q s LYS 53 N 1.32 3.48 -0.29 2.79 1.02 -0.74 -0.17 119.74 127.15 1r4q s LYS 53 Ca 0.05 -0.40 -0.32 0.00 0.02 0.00 0.00 55.97 55.33 1r4q s LYS 53 Cb -0.15 -2.97 0.19 0.00 -0.52 0.00 0.00 37.83 34.38 1r4q s LYS 53 CO 0.03 0.47 1.39 -0.08 -0.92 0.00 0.00 175.35 176.24 1r4q s THR 54 N -0.21 0.00 -0.37 2.17 -1.32 -0.99 -3.85 115.64 111.06 1r4q s THR 54 Ca 0.06 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.77 1r4q s THR 54 Cb -0.12 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.06 1r4q s THR 54 CO 0.02 0.00 1.38 0.78 -2.21 0.00 0.00 174.62 174.59 1r4q h ASN 55 N 2.01 0.00 -1.05 8.08 2.35 -1.87 -3.35 115.58 121.74 1r4q h ASN 55 Ca -0.06 -0.01 -0.74 0.00 -0.55 0.00 0.00 56.30 54.95 1r4q h ASN 55 Cb 1.17 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.43 1r4q h ASN 55 CO 0.21 0.00 2.49 0.00 -1.65 0.00 0.00 177.43 178.48 1r4q n ALA 56 N -2.11 6.42 -1.46 -0.83 0.00 -1.26 -4.86 120.51 116.41 1r4q n ALA 56 Ca 0.02 -4.09 -0.38 0.00 0.00 0.00 0.00 53.44 49.00 1r4q n ALA 56 Cb 0.53 -2.93 -0.03 0.00 0.00 0.00 0.00 19.45 17.02 1r4q n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r4q s HIS 58 N 1.31 0.31 0.10 0.00 -3.43 -1.26 -5.06 115.29 107.25 1r4q s HIS 58 Ca 0.66 -0.78 -0.36 0.00 -0.80 0.00 0.00 55.06 53.78 1r4q s HIS 58 Cb 0.19 -0.20 -0.17 0.00 -1.43 0.00 0.00 32.58 30.97 1r4q s HIS 58 CO -0.07 -0.47 1.16 0.09 -2.00 0.00 0.00 174.74 173.46 1r4q n ASN 59 N 0.04 0.96 -0.20 7.38 3.02 -1.26 -0.52 115.26 124.69 1r4q n ASN 59 Ca -0.15 1.14 -0.03 0.00 -0.03 0.00 0.00 54.58 55.51 1r4q n ASN 59 Cb 0.62 -1.12 -0.01 0.00 -0.61 0.00 0.00 39.78 38.66 1r4q n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r4q n GLY 60 N 2.08 0.59 3.93 7.41 0.00 0.47 -4.97 105.19 114.70 1r4q n GLY 60 Ca 0.18 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 1r4q n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r4q s GLY 61 N -2.64 1.55 0.35 -0.02 0.00 0.33 -4.86 107.32 102.04 1r4q s GLY 61 Ca 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 43.97 1r4q s GLY 61 CO 0.00 -0.71 0.52 -0.32 0.00 0.00 0.00 173.10 172.59 1r4q s GLY 62 N -3.67 1.49 -0.01 0.20 0.00 -1.26 -2.17 107.32 101.89 1r4q s GLY 62 Ca 0.41 -1.24 -0.13 0.00 0.00 0.00 0.00 44.72 43.76 1r4q s GLY 62 CO 0.34 -1.15 0.27 -0.11 0.00 0.00 0.00 173.10 172.44 1r4q s PHE 63 N -2.27 -0.13 0.00 1.90 -0.12 -0.41 -4.64 117.98 112.31 1r4q s PHE 63 Ca 0.43 0.19 0.00 0.00 -0.05 0.00 0.00 56.93 57.50 1r4q s PHE 63 Cb -0.10 0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.36 1r4q s PHE 63 CO 0.33 -0.36 0.00 0.43 -0.05 0.00 0.00 175.22 175.58 1r4q n SER 64 N 1.37 0.29 -4.29 1.98 7.64 -1.26 -4.50 113.62 114.86 1r4q n SER 64 Ca -0.22 -0.33 -0.32 0.00 1.01 0.00 0.00 58.87 59.01 1r4q n SER 64 Cb 0.56 0.72 -0.16 0.00 -1.01 0.00 0.00 64.21 64.32 1r4q n SER 64 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1r4q s GLU 65 N -0.78 3.20 0.04 1.43 2.02 -1.25 -5.07 118.70 118.29 1r4q s GLU 65 Ca 0.00 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.21 1r4q s GLU 65 Cb 0.00 -2.45 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 1r4q s GLU 65 CO 0.00 0.19 -0.06 0.08 0.02 0.00 0.00 175.26 175.49 1r4q s VAL 66 N 0.35 0.41 -0.05 2.63 1.01 -1.26 -1.79 120.40 121.71 1r4q s VAL 66 Ca -0.15 -1.17 0.05 0.00 0.00 0.00 0.00 61.98 60.71 1r4q s VAL 66 Cb -0.17 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1r4q s VAL 66 CO 0.07 -0.51 -0.22 -0.63 0.00 0.00 0.00 175.10 173.82 1r4q s ILE 67 N -1.80 1.78 -0.40 2.22 1.01 0.84 -4.92 121.20 119.93 1r4q s ILE 67 Ca -0.08 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.59 1r4q s ILE 67 Cb -0.07 -1.51 0.08 0.00 0.01 0.00 0.00 42.46 40.97 1r4q s ILE 67 CO -0.01 0.50 0.20 -0.36 0.00 0.00 0.00 174.94 175.27 1r4q s PHE 68 N -0.11 3.40 -0.97 3.97 0.08 -1.26 -1.15 117.98 121.94 1r4q s PHE 68 Ca -0.03 -1.87 0.08 0.00 0.12 0.00 0.00 56.93 55.23 1r4q s PHE 68 Cb -0.13 -2.90 0.06 0.00 -0.57 0.00 0.00 43.02 39.48 1r4q s PHE 68 CO 0.03 -0.88 0.75 0.54 -0.10 0.00 0.00 175.22 175.55