#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 0.30 -2.82 0.04 -1.26 -4.71 135.00 130.35 1r4q s PRO 2 Ca 0.00 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 1r4q s PRO 2 Cb 0.00 -2.42 -0.12 0.00 0.04 0.00 0.00 34.50 32.00 1r4q s PRO 2 CO 0.00 -0.50 1.48 -0.25 0.04 0.00 0.00 177.00 177.77 1r4q n ASP 3 N -0.45 3.39 -0.03 6.66 9.92 -1.26 -1.77 116.55 133.01 1r4q n ASP 3 Ca 0.07 1.17 -0.06 0.00 -0.53 0.00 0.00 54.79 55.44 1r4q n ASP 3 Cb 0.48 -1.54 -0.02 0.00 -0.64 0.00 0.00 41.12 39.40 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 0.03 -0.02 0.00 0.11 -1.10 -5.01 120.40 112.31 1r4q s VAL 5 Ca -0.08 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 58.72 1r4q s VAL 5 Cb 0.03 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1r4q s VAL 5 CO 0.11 -0.14 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.83 1r4q s THR 6 N -1.71 0.23 -4.77 5.04 2.01 -1.26 -1.27 115.64 113.91 1r4q s THR 6 Ca -0.10 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1r4q s THR 6 Cb -0.02 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.23 1r4q s THR 6 CO 0.04 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 1r4q n GLY 7 N 3.65 -1.11 3.86 4.40 0.00 -0.46 -4.71 105.19 110.81 1r4q n GLY 7 Ca -0.21 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.91 3.84 -0.21 1.61 1.02 -1.26 -0.87 119.74 121.97 1r4q s LYS 8 Ca 0.00 0.70 -0.28 0.00 0.02 0.00 0.00 55.97 56.41 1r4q s LYS 8 Cb 0.00 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1r4q s LYS 8 CO 0.00 -0.17 0.96 0.08 -0.92 0.00 0.00 175.35 175.31 1r4q s VAL 9 N -2.53 4.75 0.08 3.17 1.01 -1.26 -4.34 120.40 121.28 1r4q s VAL 9 Ca 0.55 1.89 -0.08 0.00 0.00 0.00 0.00 61.98 64.33 1r4q s VAL 9 Cb -0.10 -4.25 -0.26 0.00 0.00 0.00 0.00 36.38 31.77 1r4q s VAL 9 CO 0.32 -0.10 1.16 -0.33 0.00 0.00 0.00 175.10 176.15 1r4q h GLU 10 N 7.43 0.44 -2.53 2.72 5.08 -1.37 -3.45 114.58 122.90 1r4q h GLU 10 Ca -0.23 -0.61 0.12 0.00 -1.00 0.00 0.00 59.36 57.64 1r4q h GLU 10 Cb 1.09 0.21 -0.09 0.00 0.50 0.00 0.00 28.75 30.45 1r4q h GLU 10 CO 0.92 1.26 0.41 1.52 -1.00 0.00 0.00 179.01 182.11 1r4q s TYR 11 N -2.91 -0.23 0.18 4.33 -0.85 -1.26 -5.03 117.35 111.58 1r4q s TYR 11 Ca -0.06 -0.05 0.02 0.00 -0.52 0.00 0.00 57.07 56.45 1r4q s TYR 11 Cb 0.07 0.62 -0.05 0.00 0.38 0.00 0.00 41.96 42.98 1r4q s TYR 11 CO 0.90 -0.85 0.01 0.95 -1.52 0.00 0.00 175.55 175.04 1r4q s THR 12 N -3.42 0.66 -0.21 -3.49 -4.23 -1.26 -1.75 115.64 101.94 1r4q s THR 12 Ca 0.09 -1.98 -0.09 0.00 -1.18 0.00 0.00 61.69 58.53 1r4q s THR 12 Cb -0.02 -2.16 0.09 0.00 1.34 0.00 0.00 72.50 71.74 1r4q s THR 12 CO -0.01 -0.43 0.47 -0.75 -0.54 0.00 0.00 174.62 173.36 1r4q s LYS 13 N -3.93 0.41 -0.21 3.99 2.20 0.03 -4.97 119.74 117.26 1r4q s LYS 13 Ca 0.25 1.05 -0.27 0.00 -0.36 0.00 0.00 55.97 56.63 1r4q s LYS 13 Cb 0.06 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 1r4q s LYS 13 CO 0.05 -0.21 0.95 -0.47 -0.36 0.00 0.00 175.35 175.31 1r4q s TYR 14 N 2.25 3.36 0.56 4.03 6.14 -1.26 -0.75 117.35 131.68 1r4q s TYR 14 Ca -0.05 1.36 0.02 0.00 0.64 0.00 0.00 57.07 59.04 1r4q s TYR 14 Cb -0.10 -3.17 0.05 0.00 0.42 0.00 0.00 41.96 39.16 1r4q s TYR 14 CO -0.14 -0.40 0.79 -0.80 0.64 0.00 0.00 175.55 175.63 1r4q s ASN 15 N 1.22 5.16 0.54 4.32 0.01 -0.62 -5.00 114.94 120.58 1r4q s ASN 15 Ca 0.41 -0.16 0.23 0.00 -0.71 0.00 0.00 52.86 52.62 1r4q s ASN 15 Cb -0.16 -0.64 1.43 0.00 0.41 0.00 0.00 41.25 42.29 1r4q s ASN 15 CO 0.08 -1.23 2.09 -0.78 -1.51 0.00 0.00 177.10 175.76 1r4q h ASP 16 N 0.05 0.00 -0.66 -1.22 1.82 -1.96 -2.44 116.42 112.01 1r4q h ASP 16 Ca -0.40 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.08 1r4q h ASP 16 Cb 1.29 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.21 1r4q h ASP 16 CO 0.49 0.00 0.19 -0.90 -1.61 0.00 0.00 179.24 177.40 1r4q n ASP 17 N -4.29 4.85 -1.16 2.28 5.68 -1.26 -4.90 116.55 117.75 1r4q n ASP 17 Ca 0.02 -3.18 -0.15 0.00 -0.50 0.00 0.00 54.79 50.99 1r4q n ASP 17 Cb 0.31 -0.72 -0.06 0.00 -1.14 0.00 0.00 41.12 39.52 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 -0.08 -4.75 -4.88 -1.12 8.00 -0.92 -5.01 116.55 107.79 1r4q n ASP 18 Ca 0.37 0.34 -0.36 0.00 0.71 0.00 0.00 54.79 55.85 1r4q n ASP 18 Cb 1.30 -3.57 -0.06 0.00 -0.02 0.00 0.00 41.12 38.77 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 -2.56 5.34 -0.14 -3.53 -4.23 -1.26 -4.90 115.64 104.36 1r4q s THR 19 Ca 0.00 0.29 -0.05 0.00 -1.18 0.00 0.00 61.69 60.75 1r4q s THR 19 Cb 0.00 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.28 1r4q s THR 19 CO 0.00 0.50 0.04 0.12 -0.54 0.00 0.00 174.62 174.75 1r4q s PHE 20 N -1.15 3.24 -0.12 3.99 5.36 -0.93 -1.60 117.98 126.77 1r4q s PHE 20 Ca 0.22 0.14 -0.03 0.00 -0.96 0.00 0.00 56.93 56.30 1r4q s PHE 20 Cb -0.13 -1.95 -0.03 0.00 -0.34 0.00 0.00 43.02 40.57 1r4q s PHE 20 CO 0.11 0.32 -0.03 0.99 -1.46 0.00 0.00 175.22 175.15 1r4q s THR 21 N -0.25 3.99 0.14 0.12 2.01 0.07 -1.80 115.64 119.93 1r4q s THR 21 Ca 0.07 -0.34 0.10 0.00 0.31 0.00 0.00 61.69 61.83 1r4q s THR 21 Cb -0.12 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 1r4q s THR 21 CO 0.02 0.54 -0.22 0.68 -0.69 0.00 0.00 174.62 174.95 1r4q s VAL 22 N -0.14 2.56 -0.26 3.82 -7.23 -0.66 -0.79 120.40 117.70 1r4q s VAL 22 Ca 0.03 -1.72 -0.02 0.00 -1.81 0.00 0.00 61.98 58.46 1r4q s VAL 22 Cb -0.13 -2.18 0.03 0.00 0.56 0.00 0.00 36.38 34.66 1r4q s VAL 22 CO 0.02 0.03 -0.05 -0.75 -0.31 0.00 0.00 175.10 174.04 1r4q s LYS 23 N -2.29 2.80 -0.11 4.82 2.47 -0.72 -1.48 119.74 125.23 1r4q s LYS 23 Ca 0.18 -1.01 0.00 0.00 -1.56 0.00 0.00 55.97 53.59 1r4q s LYS 23 Cb -0.10 -3.02 0.02 0.00 -1.46 0.00 0.00 37.83 33.27 1r4q s LYS 23 CO 0.09 -0.43 -0.10 0.08 0.16 0.00 0.00 175.35 175.16 1r4q s VAL 24 N 1.32 1.13 0.00 4.02 1.01 -0.84 -0.81 120.40 126.23 1r4q s VAL 24 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1r4q s VAL 24 Cb -0.17 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1r4q s VAL 24 CO -0.04 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1r4q n GLY 25 N 4.63 0.30 1.39 4.51 0.00 -1.26 -3.26 105.19 111.50 1r4q n GLY 25 Ca -0.16 -0.94 0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 2.00 4.09 -4.30 1.61 5.75 -1.26 -4.94 116.55 119.49 1r4q n ASP 26 Ca 0.00 -2.26 -0.29 0.00 -0.01 0.00 0.00 54.79 52.23 1r4q n ASP 26 Cb 0.00 -0.52 -0.15 0.00 -1.03 0.00 0.00 41.12 39.43 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 -1.58 1.77 -0.13 0.11 1.02 -1.20 -4.93 119.74 114.79 1r4q s LYS 27 Ca 0.46 -0.99 -0.08 0.00 0.02 0.00 0.00 55.97 55.38 1r4q s LYS 27 Cb 0.28 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.69 1r4q s LYS 27 CO 0.25 0.49 0.15 -1.21 -0.92 0.00 0.00 175.35 174.11 1r4q s GLU 28 N -1.00 3.59 0.08 1.68 2.02 -1.26 -1.99 118.70 121.81 1r4q s GLU 28 Ca 0.10 -0.13 -0.03 0.00 0.02 0.00 0.00 54.97 54.93 1r4q s GLU 28 Cb -0.10 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 1r4q s GLU 28 CO 0.01 0.69 0.05 -0.51 0.02 0.00 0.00 175.26 175.52 1r4q s LEU 29 N -0.78 2.07 0.15 1.80 1.43 -0.55 -1.87 118.68 120.93 1r4q s LEU 29 Ca 0.14 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 1r4q s LEU 29 Cb -0.12 0.45 -0.04 0.00 0.03 0.00 0.00 46.19 46.51 1r4q s LEU 29 CO 0.03 -0.66 -0.03 0.72 0.23 0.00 0.00 176.35 176.64 1r4q s PHE 30 N -3.93 1.14 0.05 0.29 -0.12 -0.33 -1.66 117.98 113.42 1r4q s PHE 30 Ca 0.09 -0.96 0.01 0.00 -0.05 0.00 0.00 56.93 56.02 1r4q s PHE 30 Cb 0.07 -0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 41.79 1r4q s PHE 30 CO -0.08 -0.16 -0.05 -0.08 -0.05 0.00 0.00 175.22 174.81 1r4q s THR 31 N -3.60 0.34 -2.17 -4.49 -1.32 -0.74 -0.84 115.64 102.81 1r4q s THR 31 Ca 0.20 -1.34 0.18 0.00 -1.21 0.00 0.00 61.69 59.52 1r4q s THR 31 Cb 0.05 -0.88 0.17 0.00 -1.51 0.00 0.00 72.50 70.33 1r4q s THR 31 CO 0.01 -0.65 1.09 -0.46 -2.21 0.00 0.00 174.62 172.40 1r4q n ASN 32 N 0.94 2.57 -4.63 8.08 6.94 -1.26 -2.19 115.26 125.70 1r4q n ASN 32 Ca -0.19 -1.76 -0.43 0.00 -0.02 0.00 0.00 54.58 52.17 1r4q n ASN 32 Cb 0.57 -0.03 -0.02 0.00 -2.36 0.00 0.00 39.78 37.94 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 -1.45 3.91 0.09 -3.83 1.81 -1.26 -4.93 118.95 113.29 1r4q s ARG 33 Ca 0.22 1.30 -0.18 0.00 -1.72 0.00 0.00 55.73 55.35 1r4q s ARG 33 Cb 0.15 -3.89 -0.07 0.00 -0.45 0.00 0.00 34.95 30.69 1r4q s ARG 33 CO 0.23 -1.13 1.57 -1.49 -0.68 0.00 0.00 175.30 173.79 1r4q h TRP 34 N 9.44 0.48 -0.32 -0.53 4.06 -1.92 -3.05 115.95 124.12 1r4q h TRP 34 Ca -0.27 -0.07 0.09 0.00 2.06 0.00 0.00 58.89 60.70 1r4q h TRP 34 Cb 1.10 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 29.12 1r4q h TRP 34 CO 0.88 0.56 0.47 -0.91 -3.56 0.00 0.00 178.44 175.89 1r4q h ASN 35 N 0.26 0.00 1.21 -3.49 2.35 -2.02 -0.52 115.58 113.38 1r4q h ASN 35 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1r4q h ASN 35 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1r4q h ASN 35 CO 0.01 0.00 -0.28 0.18 -1.65 0.00 0.00 177.43 175.69 1r4q n LEU 36 N -3.42 0.77 0.33 1.61 4.77 -1.15 -4.31 117.00 115.60 1r4q n LEU 36 Ca 0.05 0.42 -0.17 0.00 -0.03 0.00 0.00 56.01 56.29 1r4q n LEU 36 Cb 0.61 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 1r4q n LEU 36 CO 0.22 -0.13 0.63 1.56 -1.33 0.00 0.00 177.39 178.35 1r4q h GLN 37 N 0.00 -0.79 0.00 3.23 4.20 -1.22 -0.69 115.11 119.85 1r4q h GLN 37 Ca 0.00 0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1r4q h GLN 37 Cb 0.74 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1r4q h GLN 37 CO 0.00 -0.50 -0.33 0.66 -0.67 0.00 0.00 178.83 177.98 1r4q h SER 38 N -0.87 0.00 -0.42 1.46 4.64 -1.77 -1.50 113.55 115.09 1r4q h SER 38 Ca -0.08 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 1r4q h SER 38 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1r4q h SER 38 CO 0.14 0.33 0.09 -0.07 -0.87 0.00 0.00 176.83 176.45 1r4q h LEU 39 N 0.00 0.65 -0.61 5.97 3.38 -1.70 0.33 115.31 123.33 1r4q h LEU 39 Ca -0.00 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 1r4q h LEU 39 Cb 0.61 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1r4q h LEU 39 CO 0.04 0.73 -0.27 -0.07 0.09 0.00 0.00 178.44 178.96 1r4q h LEU 40 N 0.55 0.83 -0.74 1.67 3.38 -0.87 -0.80 115.31 119.34 1r4q h LEU 40 Ca 0.13 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1r4q h LEU 40 Cb 0.34 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1r4q h LEU 40 CO 0.00 1.05 0.46 0.25 0.09 0.00 0.00 178.44 180.30 1r4q h LEU 41 N 0.69 0.74 -1.04 1.67 5.85 -1.02 -0.88 115.31 121.33 1r4q h LEU 41 Ca 0.09 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1r4q h LEU 41 Cb 0.80 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1r4q h LEU 41 CO 0.07 0.50 -0.30 0.28 -0.34 0.00 0.00 178.44 178.65 1r4q h SER 42 N 0.88 0.32 0.32 1.25 0.02 -0.63 -0.04 113.55 115.66 1r4q h SER 42 Ca 0.30 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1r4q h SER 42 Cb 0.05 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1r4q h SER 42 CO -0.13 0.61 -0.25 0.00 -1.14 0.00 0.00 176.83 175.92 1r4q h ALA 43 N 1.41 1.47 0.19 3.77 0.00 -0.11 -1.81 119.26 124.18 1r4q h ALA 43 Ca 0.04 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.46 1r4q h ALA 43 Cb 0.68 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.45 1r4q h ALA 43 CO 0.05 0.32 -1.15 0.37 0.00 0.00 0.00 179.25 178.84 1r4q h GLN 44 N 0.00 0.40 -0.24 0.00 4.15 -0.23 -2.03 115.11 117.15 1r4q h GLN 44 Ca -0.00 -0.68 -0.01 0.00 0.77 0.00 0.00 58.65 58.73 1r4q h GLN 44 Cb 0.48 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 1r4q h GLN 44 CO 0.03 1.33 0.09 0.82 -1.93 0.00 0.00 178.83 179.17 1r4q h ILE 45 N -0.15 1.10 -0.02 2.39 2.04 -0.59 -3.06 117.51 119.21 1r4q h ILE 45 Ca -0.21 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1r4q h ILE 45 Cb 1.88 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1r4q h ILE 45 CO 0.20 0.12 -0.24 0.35 0.00 0.00 0.00 178.15 178.57 1r4q n THR 46 N -4.44 0.00 -1.17 -0.27 -2.24 -0.72 -5.00 114.28 100.44 1r4q n THR 46 Ca 0.00 -0.38 -0.06 0.00 -2.27 0.00 0.00 64.05 61.34 1r4q n THR 46 Cb 0.12 1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 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 1.27 0.83 3.74 3.38 0.00 -0.96 -4.99 105.19 108.46 1r4q n GLY 47 Ca 0.10 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 1r4q n GLY 47 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1r4q s MET 48 N -2.32 2.79 -0.15 1.61 0.00 -0.81 -4.86 119.30 115.56 1r4q s MET 48 Ca 0.00 2.08 -0.10 0.00 0.00 0.00 0.00 55.69 57.67 1r4q s MET 48 Cb 0.00 -1.98 -0.05 0.00 0.00 0.00 0.00 34.83 32.80 1r4q s MET 48 CO 0.00 -1.42 0.18 0.99 0.00 0.00 0.00 175.02 174.77 1r4q s THR 49 N -1.39 5.40 0.13 10.11 2.01 -1.26 -4.35 115.64 126.29 1r4q s THR 49 Ca 0.79 0.30 0.04 0.00 0.31 0.00 0.00 61.69 63.13 1r4q s THR 49 Cb -0.37 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1r4q s THR 49 CO 0.41 0.51 -0.09 0.68 -0.69 0.00 0.00 174.62 175.43 1r4q s VAL 50 N -0.25 1.05 -0.06 3.82 -7.23 -0.05 -0.55 120.40 117.13 1r4q s VAL 50 Ca 0.13 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.37 1r4q s VAL 50 Cb -0.12 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 1r4q s VAL 50 CO 0.02 -0.75 -0.24 -0.89 -0.31 0.00 0.00 175.10 172.94 1r4q s THR 51 N -3.29 2.19 -0.18 5.32 2.01 -0.61 -1.36 115.64 119.73 1r4q s THR 51 Ca 0.14 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 1r4q s THR 51 Cb 0.02 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 1r4q s THR 51 CO -0.01 0.57 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.81 1r4q s ILE 52 N -0.19 3.60 -0.11 1.82 1.01 -0.40 -1.13 121.20 125.81 1r4q s ILE 52 Ca -0.03 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1r4q s ILE 52 Cb -0.14 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 1r4q s ILE 52 CO 0.03 0.47 0.04 -0.54 0.00 0.00 0.00 174.94 174.94 1r4q s LYS 53 N 0.79 3.22 0.00 2.79 1.02 -0.87 -1.46 119.74 125.23 1r4q s LYS 53 Ca -0.02 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.63 1r4q s LYS 53 Cb -0.15 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1r4q s LYS 53 CO 0.02 0.65 0.00 -2.37 -0.92 0.00 0.00 175.35 172.73 1r4q n THR 54 N 2.32 0.00 0.12 2.17 5.66 -0.73 -4.17 114.28 119.65 1r4q n THR 54 Ca -0.19 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.83 1r4q n THR 54 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1r4q n THR 54 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 1r4q h ASN 55 N 0.00 0.00 -0.43 1.09 4.21 -1.85 -3.36 115.58 115.24 1r4q h ASN 55 Ca 0.00 0.00 -0.70 0.00 1.21 0.00 0.00 56.30 56.81 1r4q h ASN 55 Cb 0.00 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.17 1r4q h ASN 55 CO 0.00 0.54 3.24 0.00 -1.29 0.00 0.00 177.43 179.92 1r4q n ALA 56 N -2.25 6.98 -2.24 -0.83 0.00 -1.26 -4.85 120.51 116.07 1r4q n ALA 56 Ca 0.01 -3.78 -0.42 0.00 0.00 0.00 0.00 53.44 49.24 1r4q n ALA 56 Cb 0.76 -3.20 0.00 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 0.70 -0.06 0.29 0.00 -3.43 -1.26 -5.08 115.29 106.45 1r4q s HIS 58 Ca 0.41 -0.28 -0.29 0.00 -0.80 0.00 0.00 55.06 54.10 1r4q s HIS 58 Cb 0.11 0.12 -0.14 0.00 -1.43 0.00 0.00 32.58 31.24 1r4q s HIS 58 CO -0.01 -0.62 1.16 0.09 -2.00 0.00 0.00 174.74 173.36 1r4q n ASN 59 N -0.06 1.94 0.00 7.38 3.02 -1.26 -1.40 115.26 124.88 1r4q n ASN 59 Ca -0.16 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 1r4q n ASN 59 Cb 0.63 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 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 1.26 2.07 3.71 7.41 0.00 -0.78 -4.97 105.19 113.89 1r4q n GLY 60 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.97 2.09 0.36 -0.02 0.00 -0.49 -4.62 107.32 102.67 1r4q s GLY 61 Ca 0.00 0.73 0.05 0.00 0.00 0.00 0.00 44.72 45.50 1r4q s GLY 61 CO 0.00 1.13 0.52 -0.32 0.00 0.00 0.00 173.10 174.43 1r4q s GLY 62 N -2.37 1.57 0.08 0.20 0.00 -1.26 -1.19 107.32 104.36 1r4q s GLY 62 Ca 0.71 -1.35 -0.26 0.00 0.00 0.00 0.00 44.72 43.82 1r4q s GLY 62 CO 0.50 -1.25 0.64 -0.11 0.00 0.00 0.00 173.10 172.87 1r4q s PHE 63 N -2.27 -0.58 0.00 1.90 -0.71 -0.02 -4.52 117.98 111.78 1r4q s PHE 63 Ca 0.45 0.61 0.00 0.00 -1.04 0.00 0.00 56.93 56.96 1r4q s PHE 63 Cb -0.10 0.51 0.00 0.00 -1.21 0.00 0.00 43.02 42.22 1r4q s PHE 63 CO 0.33 -0.76 0.00 -1.13 -1.34 0.00 0.00 175.22 172.32 1r4q n SER 64 N 0.08 0.00 -4.44 1.98 3.41 -1.26 -4.25 113.62 109.14 1r4q n SER 64 Ca -0.18 -0.99 -0.34 0.00 -0.26 0.00 0.00 58.87 57.11 1r4q n SER 64 Cb 0.62 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.44 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 3.57 0.02 4.33 2.02 -1.26 -5.07 118.70 122.32 1r4q s GLU 65 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1r4q s GLU 65 Cb 0.00 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.31 1r4q s GLU 65 CO 0.00 0.14 -0.04 0.08 0.02 0.00 0.00 175.26 175.47 1r4q s VAL 66 N 0.61 0.17 -0.14 2.63 1.01 -1.26 -2.05 120.40 121.36 1r4q s VAL 66 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1r4q s VAL 66 Cb -0.15 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1r4q s VAL 66 CO 0.03 -0.50 -0.13 -0.63 0.00 0.00 0.00 175.10 173.87 1r4q s ILE 67 N -1.52 1.45 -0.08 2.22 1.01 -0.28 -4.98 121.20 119.01 1r4q s ILE 67 Ca -0.15 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 59.74 1r4q s ILE 67 Cb -0.10 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1r4q s ILE 67 CO -0.01 0.44 0.55 -0.36 0.00 0.00 0.00 174.94 175.55 1r4q s PHE 68 N 1.49 3.56 -0.46 3.97 0.08 -1.26 -1.58 117.98 123.78 1r4q s PHE 68 Ca 0.04 1.03 0.04 0.00 0.12 0.00 0.00 56.93 58.15 1r4q s PHE 68 Cb -0.13 -2.61 0.03 0.00 -0.57 0.00 0.00 43.02 39.74 1r4q s PHE 68 CO -0.09 0.19 0.62 0.54 -0.10 0.00 0.00 175.22 176.37