#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4q s PRO 2 N 0.00 3.80 0.48 -2.82 0.04 -1.26 -4.71 135.00 130.53 1r4q s PRO 2 Ca 0.00 1.76 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 1r4q s PRO 2 Cb 0.00 -2.43 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 1r4q s PRO 2 CO 0.00 -0.51 1.34 -0.25 0.04 0.00 0.00 177.00 177.62 1r4q n ASP 3 N -0.43 2.79 -0.03 6.66 9.92 -1.26 -1.49 116.55 132.72 1r4q n ASP 3 Ca 0.07 1.06 -0.05 0.00 -0.53 0.00 0.00 54.79 55.33 1r4q n ASP 3 Cb 0.48 -1.56 -0.02 0.00 -0.64 0.00 0.00 41.12 39.38 1r4q n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r4q s VAL 5 N -2.11 0.02 -0.03 0.00 0.11 -1.14 -5.01 120.40 112.25 1r4q s VAL 5 Ca -0.08 -0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 58.75 1r4q s VAL 5 Cb 0.03 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 1r4q s VAL 5 CO 0.11 -0.11 0.07 -0.89 -3.33 0.00 0.00 175.10 170.95 1r4q s THR 6 N -1.85 -0.03 -3.42 5.04 2.01 -1.26 -1.21 115.64 114.92 1r4q s THR 6 Ca -0.09 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1r4q s THR 6 Cb -0.01 -0.13 0.00 0.00 0.01 0.00 0.00 72.50 72.37 1r4q s THR 6 CO 0.03 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 1r4q n GLY 7 N 3.77 -1.16 3.87 4.40 0.00 -0.71 -4.55 105.19 110.82 1r4q n GLY 7 Ca -0.22 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.37 3.83 -0.42 1.61 1.02 -1.26 -1.04 119.74 122.11 1r4q s LYS 8 Ca 0.00 0.48 -0.29 0.00 0.02 0.00 0.00 55.97 56.18 1r4q s LYS 8 Cb 0.00 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1r4q s LYS 8 CO 0.00 0.06 1.37 0.08 -0.92 0.00 0.00 175.35 175.93 1r4q s VAL 9 N -2.21 3.96 0.20 3.17 1.01 -1.26 -4.42 120.40 120.84 1r4q s VAL 9 Ca 0.51 0.98 -0.05 0.00 0.00 0.00 0.00 61.98 63.41 1r4q s VAL 9 Cb -0.10 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.03 1r4q s VAL 9 CO 0.27 -0.79 1.61 -0.08 0.00 0.00 0.00 175.10 176.10 1r4q h GLU 10 N 10.44 0.81 -1.22 2.72 4.81 -1.27 -3.46 114.58 127.40 1r4q h GLU 10 Ca -0.27 -0.34 0.24 0.00 -0.13 0.00 0.00 59.36 58.86 1r4q h GLU 10 Cb 1.10 -0.03 -0.24 0.00 0.63 0.00 0.00 28.75 30.21 1r4q h GLU 10 CO 1.09 0.97 0.87 1.52 -0.73 0.00 0.00 179.01 182.73 1r4q s TYR 11 N -4.59 -0.10 0.29 0.92 -0.85 -1.26 -5.03 117.35 106.74 1r4q s TYR 11 Ca -0.10 0.13 0.10 0.00 -0.52 0.00 0.00 57.07 56.68 1r4q s TYR 11 Cb 0.13 0.49 -0.06 0.00 0.38 0.00 0.00 41.96 42.91 1r4q s TYR 11 CO 0.84 -0.11 -0.13 0.95 -1.52 0.00 0.00 175.55 175.58 1r4q s THR 12 N -1.52 2.17 -0.08 -3.49 -4.23 -1.26 -1.99 115.64 105.24 1r4q s THR 12 Ca 0.08 -2.27 -0.04 0.00 -1.18 0.00 0.00 61.69 58.29 1r4q s THR 12 Cb -0.01 -2.42 0.04 0.00 1.34 0.00 0.00 72.50 71.46 1r4q s THR 12 CO -0.05 -0.34 0.18 -0.75 -0.54 0.00 0.00 174.62 173.12 1r4q s LYS 13 N -3.60 0.12 -0.18 3.99 2.20 -0.60 -5.00 119.74 116.67 1r4q s LYS 13 Ca 0.30 0.45 -0.18 0.00 -0.36 0.00 0.00 55.97 56.18 1r4q s LYS 13 Cb -0.00 -0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.11 1r4q s LYS 13 CO 0.14 -0.19 0.49 -0.47 -0.36 0.00 0.00 175.35 174.96 1r4q s TYR 14 N 1.38 3.41 0.33 4.03 6.14 -1.26 -0.60 117.35 130.77 1r4q s TYR 14 Ca -0.07 0.77 -0.02 0.00 0.64 0.00 0.00 57.07 58.39 1r4q s TYR 14 Cb -0.11 -2.61 -0.04 0.00 0.42 0.00 0.00 41.96 39.61 1r4q s TYR 14 CO -0.07 -0.02 0.56 -0.80 0.64 0.00 0.00 175.55 175.86 1r4q s ASN 15 N 1.00 6.34 0.40 4.32 0.01 -0.55 -4.99 114.94 121.47 1r4q s ASN 15 Ca 0.24 0.56 0.12 0.00 -0.71 0.00 0.00 52.86 53.07 1r4q s ASN 15 Cb -0.15 -2.08 0.94 0.00 0.41 0.00 0.00 41.25 40.37 1r4q s ASN 15 CO 0.09 -0.27 1.91 -0.78 -1.51 0.00 0.00 177.10 176.55 1r4q h ASP 16 N 1.07 0.50 -0.19 -1.22 3.58 -1.97 0.04 116.42 118.23 1r4q h ASP 16 Ca -0.49 0.02 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1r4q h ASP 16 Cb 1.21 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.18 1r4q h ASP 16 CO 0.63 0.27 0.00 -0.90 -2.88 0.00 0.00 179.24 176.37 1r4q n ASP 17 N -4.50 2.39 0.00 2.28 5.75 -1.26 -4.90 116.55 116.31 1r4q n ASP 17 Ca 0.14 -2.27 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 1r4q n ASP 17 Cb 0.46 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1r4q n ASP 17 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1r4q n ASP 18 N 0.20 -2.07 -4.87 -1.12 8.00 0.00 -5.03 116.55 111.66 1r4q n ASP 18 Ca 0.09 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.28 1r4q n ASP 18 Cb 0.52 -1.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.05 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 -2.08 4.72 -0.14 -3.53 -4.23 -1.26 -4.84 115.64 104.28 1r4q s THR 19 Ca 0.00 0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 61.25 1r4q s THR 19 Cb 0.00 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 1r4q s THR 19 CO 0.00 -0.55 -0.05 0.12 -0.54 0.00 0.00 174.62 173.60 1r4q s PHE 20 N -2.42 3.00 -0.10 3.99 5.36 0.32 -1.48 117.98 126.65 1r4q s PHE 20 Ca 0.53 -0.29 -0.05 0.00 -0.96 0.00 0.00 56.93 56.16 1r4q s PHE 20 Cb -0.10 -1.92 -0.04 0.00 -0.34 0.00 0.00 43.02 40.62 1r4q s PHE 20 CO 0.31 -0.00 0.10 0.99 -1.46 0.00 0.00 175.22 175.16 1r4q s THR 21 N 0.21 5.16 -0.02 0.12 2.01 0.23 -0.17 115.64 123.18 1r4q s THR 21 Ca -0.03 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.07 1r4q s THR 21 Cb -0.14 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 1r4q s THR 21 CO 0.03 0.60 -0.13 0.54 -0.69 0.00 0.00 174.62 174.98 1r4q s VAL 22 N -1.00 1.04 -0.28 3.82 0.11 0.12 -1.56 120.40 122.65 1r4q s VAL 22 Ca 0.15 -0.54 -0.06 0.00 -2.93 0.00 0.00 61.98 58.60 1r4q s VAL 22 Cb -0.12 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1r4q s VAL 22 CO 0.04 0.30 0.05 -0.75 -3.33 0.00 0.00 175.10 171.41 1r4q s LYS 23 N -0.12 3.17 -0.02 1.54 2.47 -0.84 -1.58 119.74 124.36 1r4q s LYS 23 Ca 0.01 -0.79 0.00 0.00 -1.56 0.00 0.00 55.97 53.64 1r4q s LYS 23 Cb -0.07 -3.29 0.02 0.00 -1.46 0.00 0.00 37.83 33.03 1r4q s LYS 23 CO 0.00 -0.38 0.00 0.08 0.16 0.00 0.00 175.35 175.22 1r4q s VAL 24 N 1.49 0.09 0.00 4.02 1.01 -0.97 -0.65 120.40 125.40 1r4q s VAL 24 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1r4q s VAL 24 Cb -0.17 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1r4q s VAL 24 CO 0.01 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1r4q n GLY 25 N 3.70 2.26 1.08 4.51 0.00 -1.26 -2.23 105.19 113.25 1r4q n GLY 25 Ca -0.21 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.53 3.14 -4.48 1.61 5.75 -1.26 -4.93 116.55 115.85 1r4q n ASP 26 Ca 0.00 -2.21 -0.29 0.00 -0.01 0.00 0.00 54.79 52.28 1r4q n ASP 26 Cb 0.00 -0.43 -0.11 0.00 -1.03 0.00 0.00 41.12 39.55 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 -1.62 1.75 -0.36 0.11 -0.14 -0.95 -4.91 119.74 113.63 1r4q s LYS 27 Ca 0.34 -1.20 -0.05 0.00 -1.36 0.00 0.00 55.97 53.69 1r4q s LYS 27 Cb 0.21 -2.09 0.06 0.00 -1.68 0.00 0.00 37.83 34.33 1r4q s LYS 27 CO 0.19 0.47 0.13 -1.21 -0.76 0.00 0.00 175.35 174.17 1r4q s GLU 28 N -2.16 2.47 0.28 1.68 2.02 -1.26 -2.28 118.70 119.43 1r4q s GLU 28 Ca 0.18 -1.37 0.11 0.00 0.02 0.00 0.00 54.97 53.91 1r4q s GLU 28 Cb -0.10 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 1r4q s GLU 28 CO 0.10 -0.78 -0.13 -0.51 0.02 0.00 0.00 175.26 173.95 1r4q s LEU 29 N 1.33 2.79 0.11 1.80 1.43 -0.61 0.14 118.68 125.67 1r4q s LEU 29 Ca 0.00 -0.90 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 1r4q s LEU 29 Cb -0.21 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1r4q s LEU 29 CO 0.01 0.03 -0.09 0.72 0.23 0.00 0.00 176.35 177.24 1r4q s PHE 30 N -2.45 1.05 0.05 0.29 -0.71 -0.74 0.11 117.98 115.58 1r4q s PHE 30 Ca 0.30 -0.77 0.03 0.00 -1.04 0.00 0.00 56.93 55.45 1r4q s PHE 30 Cb -0.05 -0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 41.16 1r4q s PHE 30 CO 0.17 -0.03 -0.10 -0.08 -1.34 0.00 0.00 175.22 173.83 1r4q s THR 31 N -3.10 0.76 -1.44 -4.49 -1.32 0.76 -1.47 115.64 105.34 1r4q s THR 31 Ca 0.11 -1.15 0.14 0.00 -1.21 0.00 0.00 61.69 59.57 1r4q s THR 31 Cb 0.01 -0.78 0.30 0.00 -1.51 0.00 0.00 72.50 70.53 1r4q s THR 31 CO -0.02 -0.32 1.20 -0.46 -2.21 0.00 0.00 174.62 172.82 1r4q n ASN 32 N 1.41 2.87 -4.64 8.08 2.04 -1.26 -0.52 115.26 123.25 1r4q n ASN 32 Ca -0.22 -1.86 -0.43 0.00 -0.44 0.00 0.00 54.58 51.63 1r4q n ASN 32 Cb 0.54 -0.20 -0.03 0.00 -2.53 0.00 0.00 39.78 37.57 1r4q n ASN 32 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1r4q s ARG 33 N -1.08 4.07 0.24 -3.83 1.81 -1.26 -4.93 118.95 113.97 1r4q s ARG 33 Ca 0.26 1.00 -0.07 0.00 -1.72 0.00 0.00 55.73 55.20 1r4q s ARG 33 Cb 0.15 -3.72 0.26 0.00 -0.45 0.00 0.00 34.95 31.19 1r4q s ARG 33 CO 0.20 -0.81 1.90 -1.49 -0.68 0.00 0.00 175.30 174.42 1r4q h TRP 34 N 8.00 1.12 0.00 -0.53 4.06 -1.94 -2.57 115.95 124.09 1r4q h TRP 34 Ca -0.21 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.77 1r4q h TRP 34 Cb 1.07 -0.37 0.00 0.00 -1.00 0.00 0.00 29.16 28.85 1r4q h TRP 34 CO 0.81 0.67 0.00 0.09 -3.56 0.00 0.00 178.44 176.44 1r4q n ASN 35 N -4.49 0.01 0.14 -3.49 3.02 -1.26 -2.51 115.26 106.67 1r4q n ASN 35 Ca 0.11 0.50 0.12 0.00 -0.03 0.00 0.00 54.58 55.28 1r4q n ASN 35 Cb 0.06 -0.51 0.05 0.00 -0.61 0.00 0.00 39.78 38.78 1r4q n ASN 35 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1r4q h LEU 36 N 0.00 0.00 0.10 3.41 3.38 -1.87 -3.31 115.31 117.02 1r4q h LEU 36 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1r4q h LEU 36 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1r4q h LEU 36 CO 0.00 0.00 -0.16 1.56 0.09 0.00 0.00 178.44 179.94 1r4q h GLN 37 N 0.00 -0.30 -0.30 1.13 4.20 -1.61 0.94 115.11 119.17 1r4q h GLN 37 Ca 0.00 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1r4q h GLN 37 Cb 0.99 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1r4q h GLN 37 CO 0.00 -0.20 0.17 1.03 -0.67 0.00 0.00 178.83 179.16 1r4q h SER 38 N -0.31 0.36 -0.61 1.46 0.87 -1.77 -1.75 113.55 111.80 1r4q h SER 38 Ca 0.02 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1r4q h SER 38 Cb 0.33 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1r4q h SER 38 CO -0.08 0.33 0.39 -0.07 -0.53 0.00 0.00 176.83 176.87 1r4q h LEU 39 N 0.37 0.73 -0.34 2.23 3.38 -1.59 -2.31 115.31 117.77 1r4q h LEU 39 Ca 0.11 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 1r4q h LEU 39 Cb 0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1r4q h LEU 39 CO -0.02 0.55 -0.73 -0.07 0.09 0.00 0.00 178.44 178.26 1r4q h LEU 40 N 0.85 0.62 -0.76 1.67 3.38 -0.28 -1.35 115.31 119.43 1r4q h LEU 40 Ca 0.23 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1r4q h LEU 40 Cb -0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1r4q h LEU 40 CO -0.04 1.16 0.33 0.25 0.09 0.00 0.00 178.44 180.22 1r4q h LEU 41 N 0.36 1.03 -0.69 1.67 5.85 -1.15 -0.94 115.31 121.44 1r4q h LEU 41 Ca -0.03 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1r4q h LEU 41 Cb 1.32 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1r4q h LEU 41 CO 0.13 0.90 0.32 0.28 -0.34 0.00 0.00 178.44 179.74 1r4q h SER 42 N 1.09 0.92 0.67 1.25 0.02 -1.25 -1.16 113.55 115.10 1r4q h SER 42 Ca 0.26 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1r4q h SER 42 Cb 0.17 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1r4q h SER 42 CO -0.03 0.80 -0.21 0.00 -1.14 0.00 0.00 176.83 176.25 1r4q h ALA 43 N 1.15 1.13 0.11 3.77 0.00 -0.65 -1.84 119.26 122.93 1r4q h ALA 43 Ca 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1r4q h ALA 43 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1r4q h ALA 43 CO -0.03 0.26 -0.05 0.37 0.00 0.00 0.00 179.25 179.80 1r4q h GLN 44 N 0.00 -0.14 0.18 0.00 4.15 -0.56 0.16 115.11 118.90 1r4q h GLN 44 Ca -0.00 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1r4q h GLN 44 Cb 0.61 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1r4q h GLN 44 CO 0.03 0.33 -0.08 0.82 -1.93 0.00 0.00 178.83 177.99 1r4q h ILE 45 N -0.72 0.83 -0.00 2.39 2.04 -1.15 -2.57 117.51 118.33 1r4q h ILE 45 Ca -0.02 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1r4q h ILE 45 Cb 0.54 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1r4q h ILE 45 CO 0.03 0.01 0.00 0.35 0.00 0.00 0.00 178.15 178.53 1r4q n THR 46 N -5.19 0.01 -2.56 -0.27 -2.24 -0.70 -4.89 114.28 98.45 1r4q n THR 46 Ca -0.09 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 1r4q n THR 46 Cb 0.12 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.54 -0.42 3.71 3.38 0.00 -0.97 -4.99 105.19 106.44 1r4q n GLY 47 Ca 0.02 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.17 1.44 -0.26 1.61 -1.94 0.02 -4.97 119.30 110.03 1r4q s MET 48 Ca 0.09 1.13 -0.09 0.00 -1.71 0.00 0.00 55.69 55.11 1r4q s MET 48 Cb -0.04 -1.81 -0.04 0.00 2.01 0.00 0.00 34.83 34.95 1r4q s MET 48 CO 0.11 -2.20 0.13 0.99 -0.01 0.00 0.00 175.02 174.04 1r4q s THR 49 N -2.82 4.89 0.19 2.05 2.01 -1.03 -4.35 115.64 116.58 1r4q s THR 49 Ca 0.64 0.02 0.10 0.00 0.31 0.00 0.00 61.69 62.76 1r4q s THR 49 Cb -0.19 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1r4q s THR 49 CO 0.57 0.31 -0.15 0.68 -0.69 0.00 0.00 174.62 175.34 1r4q s VAL 50 N 1.55 2.87 -0.09 3.82 -7.23 -0.21 -1.50 120.40 119.60 1r4q s VAL 50 Ca 0.06 -1.84 0.04 0.00 -1.81 0.00 0.00 61.98 58.43 1r4q s VAL 50 Cb -0.15 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1r4q s VAL 50 CO 0.07 -0.14 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.62 1r4q s THR 51 N -1.76 1.87 -0.22 5.32 2.01 -0.48 -1.73 115.64 120.66 1r4q s THR 51 Ca 0.24 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 1r4q s THR 51 Cb -0.08 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1r4q s THR 51 CO 0.13 0.52 0.03 -0.63 -0.69 0.00 0.00 174.62 173.98 1r4q s ILE 52 N 0.43 4.10 -0.16 1.82 1.01 -0.35 -0.38 121.20 127.67 1r4q s ILE 52 Ca -0.18 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 1r4q s ILE 52 Cb -0.17 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 1r4q s ILE 52 CO 0.08 0.40 0.07 -0.54 0.00 0.00 0.00 174.94 174.94 1r4q s LYS 53 N 1.23 3.79 -0.02 2.79 1.02 -0.87 -0.54 119.74 127.14 1r4q s LYS 53 Ca 0.04 -0.32 -0.29 0.00 0.02 0.00 0.00 55.97 55.42 1r4q s LYS 53 Cb -0.15 -3.16 0.09 0.00 -0.52 0.00 0.00 37.83 34.09 1r4q s LYS 53 CO 0.02 0.40 0.75 -0.08 -0.92 0.00 0.00 175.35 175.52 1r4q s THR 54 N 0.02 0.00 -0.10 2.17 -1.32 -0.55 -4.07 115.64 111.79 1r4q s THR 54 Ca 0.06 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.70 1r4q s THR 54 Cb -0.12 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.94 1r4q s THR 54 CO 0.01 0.00 1.49 0.78 -2.21 0.00 0.00 174.62 174.68 1r4q h ASN 55 N 2.54 0.00 -3.40 8.08 2.35 -1.84 -3.38 115.58 119.92 1r4q h ASN 55 Ca -0.26 0.00 -0.76 0.00 -0.55 0.00 0.00 56.30 54.72 1r4q h ASN 55 Cb 1.20 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.26 1r4q h ASN 55 CO 0.36 0.50 0.28 0.00 -1.65 0.00 0.00 177.43 176.92 1r4q n ALA 56 N -2.24 4.16 -2.85 -0.83 0.00 -1.26 -4.98 120.51 112.51 1r4q n ALA 56 Ca 0.02 -4.66 -0.44 0.00 0.00 0.00 0.00 53.44 48.36 1r4q n ALA 56 Cb 0.70 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.27 -0.51 0.19 0.00 -3.43 -1.26 -5.07 115.29 106.47 1r4q s HIS 58 Ca 0.42 0.31 -0.33 0.00 -0.80 0.00 0.00 55.06 54.66 1r4q s HIS 58 Cb -0.01 0.56 -0.15 0.00 -1.43 0.00 0.00 32.58 31.55 1r4q s HIS 58 CO 0.00 -0.83 1.29 0.09 -2.00 0.00 0.00 174.74 173.30 1r4q n ASN 59 N -0.37 2.00 0.00 7.38 3.02 -1.26 -1.30 115.26 124.73 1r4q n ASN 59 Ca -0.16 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.53 1r4q n ASN 59 Cb 0.65 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 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 2.20 1.55 3.87 7.41 0.00 0.12 -4.96 105.19 115.38 1r4q n GLY 60 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.87 1.62 0.30 -0.02 0.00 -0.42 -4.77 107.32 102.16 1r4q s GLY 61 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 44.72 44.38 1r4q s GLY 61 CO 0.00 0.03 0.45 -0.32 0.00 0.00 0.00 173.10 173.26 1r4q s GLY 62 N -4.32 1.32 0.09 0.20 0.00 -1.26 -1.78 107.32 101.57 1r4q s GLY 62 Ca 0.59 -1.15 -0.10 0.00 0.00 0.00 0.00 44.72 44.07 1r4q s GLY 62 CO 0.52 -1.12 0.21 -0.11 0.00 0.00 0.00 173.10 172.60 1r4q s PHE 63 N -2.14 0.11 0.00 1.90 -0.12 -0.55 -4.55 117.98 112.63 1r4q s PHE 63 Ca 0.38 -0.52 0.00 0.00 -0.05 0.00 0.00 56.93 56.74 1r4q s PHE 63 Cb -0.09 -0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.28 1r4q s PHE 63 CO 0.32 -0.56 0.00 -1.13 -0.05 0.00 0.00 175.22 173.80 1r4q n SER 64 N -0.06 0.00 -4.52 1.98 3.41 -1.26 -4.47 113.62 108.70 1r4q n SER 64 Ca -0.15 -0.10 -0.34 0.00 -0.26 0.00 0.00 58.87 58.02 1r4q n SER 64 Cb 0.62 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.46 1r4q n SER 64 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1r4q s GLU 65 N 0.00 3.37 0.02 4.33 2.02 -1.26 -5.08 118.70 122.11 1r4q s GLU 65 Ca 0.00 -0.53 -0.02 0.00 0.02 0.00 0.00 54.97 54.44 1r4q s GLU 65 Cb 0.00 -2.80 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 1r4q s GLU 65 CO 0.00 0.38 0.01 0.08 0.02 0.00 0.00 175.26 175.75 1r4q s VAL 66 N -0.02 0.11 -0.11 2.63 1.01 -1.26 -2.04 120.40 120.72 1r4q s VAL 66 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1r4q s VAL 66 Cb -0.13 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.90 1r4q s VAL 66 CO 0.03 -0.49 -0.17 -0.63 0.00 0.00 0.00 175.10 173.84 1r4q s ILE 67 N -1.56 1.61 -0.35 2.22 1.01 0.49 -4.95 121.20 119.66 1r4q s ILE 67 Ca -0.15 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.67 1r4q s ILE 67 Cb -0.09 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 40.94 1r4q s ILE 67 CO -0.01 0.46 0.22 -0.36 0.00 0.00 0.00 174.94 175.25 1r4q s PHE 68 N 0.84 3.22 -2.10 3.97 0.40 -1.26 -1.38 117.98 121.67 1r4q s PHE 68 Ca -0.09 -0.60 0.17 0.00 -0.60 0.00 0.00 56.93 55.81 1r4q s PHE 68 Cb -0.15 -2.45 0.13 0.00 0.51 0.00 0.00 43.02 41.06 1r4q s PHE 68 CO 0.00 -0.51 1.03 0.54 0.70 0.00 0.00 175.22 176.99