#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 3.32 -1.17 -2.82 0.02 -1.26 -4.86 135.00 128.23 1r4q s PRO 2 Ca 0.00 1.62 -0.20 0.00 0.02 0.00 0.00 61.00 62.44 1r4q s PRO 2 Cb 0.00 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 1r4q s PRO 2 CO 0.00 -0.87 1.91 -0.25 -0.33 0.00 0.00 177.00 177.46 1r4q n ASP 3 N -1.34 3.62 0.16 2.53 9.92 -1.26 -2.85 116.55 127.33 1r4q n ASP 3 Ca 0.12 -2.78 0.19 0.00 -0.53 0.00 0.00 54.79 51.78 1r4q n ASP 3 Cb 0.51 -1.61 0.74 0.00 -0.64 0.00 0.00 41.12 40.11 1r4q n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r4q n VAL 5 N -3.42 0.00 -3.78 0.00 3.14 -1.14 -4.97 118.33 108.17 1r4q n VAL 5 Ca 0.05 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.30 1r4q n VAL 5 Cb 0.60 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.24 1r4q n VAL 5 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1r4q s THR 6 N -2.00 -0.03 -3.70 1.55 2.01 -1.26 -0.84 115.64 111.37 1r4q s THR 6 Ca 0.00 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1r4q s THR 6 Cb 0.00 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.29 1r4q s THR 6 CO 0.00 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 1r4q n GLY 7 N 3.76 -0.72 3.92 4.40 0.00 -0.76 -4.77 105.19 111.01 1r4q n GLY 7 Ca -0.21 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.48 1.76 -0.38 1.61 1.02 -1.26 -0.89 119.74 120.13 1r4q s LYS 8 Ca 0.00 -0.17 -0.11 0.00 0.02 0.00 0.00 55.97 55.70 1r4q s LYS 8 Cb 0.00 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.32 1r4q s LYS 8 CO 0.00 -1.64 0.22 0.08 -0.92 0.00 0.00 175.35 173.09 1r4q s VAL 9 N -3.51 4.62 0.08 3.17 1.01 -1.26 -4.10 120.40 120.41 1r4q s VAL 9 Ca 0.64 -0.86 -0.33 0.00 0.00 0.00 0.00 61.98 61.43 1r4q s VAL 9 Cb -0.09 -3.59 -0.16 0.00 0.00 0.00 0.00 36.38 32.54 1r4q s VAL 9 CO 0.48 -0.25 1.61 -0.08 0.00 0.00 0.00 175.10 176.86 1r4q h GLU 10 N 8.45 -0.84 -2.50 2.72 4.57 -1.01 -3.45 114.58 122.52 1r4q h GLU 10 Ca -0.25 0.06 0.10 0.00 -1.18 0.00 0.00 59.36 58.09 1r4q h GLU 10 Cb 1.10 0.19 -0.12 0.00 -0.16 0.00 0.00 28.75 29.77 1r4q h GLU 10 CO 0.67 -0.56 0.41 1.52 -1.18 0.00 0.00 179.01 179.88 1r4q s TYR 11 N -6.01 -0.30 0.27 0.92 -0.85 -1.25 -5.04 117.35 105.10 1r4q s TYR 11 Ca -0.17 0.07 0.05 0.00 -0.52 0.00 0.00 57.07 56.49 1r4q s TYR 11 Cb 0.05 0.59 -0.06 0.00 0.38 0.00 0.00 41.96 42.92 1r4q s TYR 11 CO 0.62 -0.75 -0.00 0.95 -1.52 0.00 0.00 175.55 174.85 1r4q s THR 12 N -3.36 1.28 -0.19 -3.49 -4.23 -1.26 -1.99 115.64 102.40 1r4q s THR 12 Ca 0.07 -2.05 -0.12 0.00 -1.18 0.00 0.00 61.69 58.41 1r4q s THR 12 Cb -0.02 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.38 1r4q s THR 12 CO -0.05 -0.23 0.46 -0.75 -0.54 0.00 0.00 174.62 173.52 1r4q s LYS 13 N -3.82 0.47 -0.26 3.99 2.20 -0.39 -4.99 119.74 116.93 1r4q s LYS 13 Ca 0.31 0.81 -0.16 0.00 -0.36 0.00 0.00 55.97 56.57 1r4q s LYS 13 Cb 0.06 0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.41 1r4q s LYS 13 CO 0.12 -0.13 0.41 -0.47 -0.36 0.00 0.00 175.35 174.91 1r4q s TYR 14 N 1.14 3.27 0.59 4.03 6.14 -1.26 -0.30 117.35 130.96 1r4q s TYR 14 Ca -0.07 0.50 -0.04 0.00 0.64 0.00 0.00 57.07 58.10 1r4q s TYR 14 Cb -0.07 -2.60 0.03 0.00 0.42 0.00 0.00 41.96 39.74 1r4q s TYR 14 CO -0.10 -0.20 0.87 -0.80 0.64 0.00 0.00 175.55 175.96 1r4q s ASN 15 N 1.51 5.34 0.63 4.32 0.01 -0.50 -4.97 114.94 121.28 1r4q s ASN 15 Ca 0.17 0.43 0.34 0.00 -0.71 0.00 0.00 52.86 53.09 1r4q s ASN 15 Cb -0.16 -1.33 1.89 0.00 0.41 0.00 0.00 41.25 42.07 1r4q s ASN 15 CO 0.09 -1.18 2.15 -0.78 -1.51 0.00 0.00 177.10 175.87 1r4q h ASP 16 N -0.16 0.00 -0.27 -1.22 3.58 -1.98 -2.34 116.42 114.04 1r4q h ASP 16 Ca -0.45 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 56.94 1r4q h ASP 16 Cb 1.28 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.29 1r4q h ASP 16 CO 0.58 0.00 -0.03 -0.90 -2.88 0.00 0.00 179.24 176.01 1r4q n ASP 17 N -3.37 3.18 -0.69 2.28 5.68 -1.26 -4.96 116.55 117.42 1r4q n ASP 17 Ca -0.01 -3.31 -0.09 0.00 -0.50 0.00 0.00 54.79 50.88 1r4q n ASP 17 Cb 0.25 -0.57 -0.04 0.00 -1.14 0.00 0.00 41.12 39.63 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 -0.85 -4.07 -4.93 -1.12 8.00 -0.88 -5.03 116.55 107.67 1r4q n ASP 18 Ca 0.25 0.22 -0.26 0.00 0.71 0.00 0.00 54.79 55.71 1r4q n ASP 18 Cb 0.92 -2.36 -0.03 0.00 -0.02 0.00 0.00 41.12 39.63 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 -2.33 5.20 -0.03 -3.53 -4.23 -1.26 -4.89 115.64 104.57 1r4q s THR 19 Ca 0.00 -0.44 0.03 0.00 -1.18 0.00 0.00 61.69 60.10 1r4q s THR 19 Cb 0.00 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 1r4q s THR 19 CO 0.00 -0.22 -0.11 0.12 -0.54 0.00 0.00 174.62 173.87 1r4q s PHE 20 N -1.92 2.79 -0.03 3.99 5.36 -0.61 -1.40 117.98 126.16 1r4q s PHE 20 Ca 0.38 -0.09 0.06 0.00 -0.96 0.00 0.00 56.93 56.32 1r4q s PHE 20 Cb -0.11 -1.63 -0.02 0.00 -0.34 0.00 0.00 43.02 40.92 1r4q s PHE 20 CO 0.30 0.27 -0.20 0.99 -1.46 0.00 0.00 175.22 175.12 1r4q s THR 21 N -0.83 2.54 0.05 0.12 2.01 0.58 -0.92 115.64 119.20 1r4q s THR 21 Ca 0.13 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.25 1r4q s THR 21 Cb -0.11 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1r4q s THR 21 CO 0.03 0.58 -0.13 0.54 -0.69 0.00 0.00 174.62 174.95 1r4q s VAL 22 N -0.67 1.04 -0.29 3.82 0.11 0.12 -1.27 120.40 123.27 1r4q s VAL 22 Ca 0.11 -1.13 0.02 0.00 -2.93 0.00 0.00 61.98 58.05 1r4q s VAL 22 Cb -0.10 -0.98 0.07 0.00 -1.53 0.00 0.00 36.38 33.83 1r4q s VAL 22 CO -0.00 -0.14 -0.05 -0.75 -3.33 0.00 0.00 175.10 170.83 1r4q s LYS 23 N -1.44 2.11 -0.19 1.54 2.47 -0.84 -1.34 119.74 122.06 1r4q s LYS 23 Ca -0.01 -1.46 0.01 0.00 -1.56 0.00 0.00 55.97 52.95 1r4q s LYS 23 Cb -0.09 -3.03 0.02 0.00 -1.46 0.00 0.00 37.83 33.27 1r4q s LYS 23 CO 0.02 -0.67 -0.18 0.08 0.16 0.00 0.00 175.35 174.75 1r4q s VAL 24 N 1.09 2.01 0.00 4.02 1.01 -1.16 -0.25 120.40 127.11 1r4q s VAL 24 Ca -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1r4q s VAL 24 Cb -0.20 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1r4q s VAL 24 CO -0.05 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1r4q n GLY 25 N 4.62 2.52 0.07 4.51 0.00 -1.26 -3.46 105.19 112.19 1r4q n GLY 25 Ca -0.20 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 9.52 2.55 -4.80 1.61 5.75 -1.26 -5.01 116.55 124.91 1r4q n ASP 26 Ca 0.00 -0.05 -0.35 0.00 -0.01 0.00 0.00 54.79 54.38 1r4q n ASP 26 Cb 0.00 0.17 -0.05 0.00 -1.03 0.00 0.00 41.12 40.21 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 -2.29 4.18 -0.23 0.11 -0.14 -1.22 -5.01 119.74 115.13 1r4q s LYS 27 Ca -0.14 1.34 -0.04 0.00 -1.36 0.00 0.00 55.97 55.77 1r4q s LYS 27 Cb 0.05 -2.39 -0.00 0.00 -1.68 0.00 0.00 37.83 33.81 1r4q s LYS 27 CO 0.40 -0.10 -0.04 -2.00 -0.76 0.00 0.00 175.35 172.85 1r4q s GLU 28 N -2.77 3.25 0.18 1.68 2.12 -1.26 -3.01 118.70 118.89 1r4q s GLU 28 Ca 0.60 -0.71 0.07 0.00 0.36 0.00 0.00 54.97 55.29 1r4q s GLU 28 Cb -0.17 -3.02 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 1r4q s GLU 28 CO 0.21 -0.25 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.04 1r4q s LEU 29 N 1.45 2.54 0.43 2.70 1.43 -0.45 -0.22 118.68 126.57 1r4q s LEU 29 Ca 0.05 -1.01 0.04 0.00 -1.03 0.00 0.00 54.13 52.17 1r4q s LEU 29 Cb -0.15 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 1r4q s LEU 29 CO -0.03 -0.22 0.13 0.72 0.23 0.00 0.00 176.35 177.18 1r4q s PHE 30 N -3.05 1.78 -0.20 0.29 -0.12 -0.91 0.16 117.98 115.94 1r4q s PHE 30 Ca 0.20 -1.31 -0.27 0.00 -0.05 0.00 0.00 56.93 55.50 1r4q s PHE 30 Cb 0.00 -1.17 0.09 0.00 -0.63 0.00 0.00 43.02 41.30 1r4q s PHE 30 CO 0.05 -0.31 0.81 -0.08 -0.05 0.00 0.00 175.22 175.64 1r4q s THR 31 N -3.16 0.00 -2.68 -4.49 -1.32 -0.10 -1.14 115.64 102.76 1r4q s THR 31 Ca 0.21 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.94 1r4q s THR 31 Cb 0.01 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.38 1r4q s THR 31 CO 0.14 0.00 1.48 -0.46 -2.21 0.00 0.00 174.62 173.57 1r4q n ASN 32 N 1.85 2.37 -4.55 8.08 0.23 -1.26 -1.57 115.26 120.41 1r4q n ASN 32 Ca -0.15 -1.79 -0.40 0.00 -0.53 0.00 0.00 54.58 51.71 1r4q n ASN 32 Cb 0.56 -0.04 -0.03 0.00 -2.08 0.00 0.00 39.78 38.19 1r4q n ASN 32 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1r4q s ARG 33 N -1.92 3.29 0.40 -3.83 1.81 -1.26 -4.86 118.95 112.58 1r4q s ARG 33 Ca 0.33 -0.57 0.22 0.00 -1.72 0.00 0.00 55.73 53.99 1r4q s ARG 33 Cb 0.20 -4.75 1.23 0.00 -0.45 0.00 0.00 34.95 31.18 1r4q s ARG 33 CO 0.31 -2.28 1.68 -1.49 -0.68 0.00 0.00 175.30 172.84 1r4q h TRP 34 N 10.29 0.69 0.00 -0.53 4.06 -1.90 -1.19 115.95 127.37 1r4q h TRP 34 Ca -0.05 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1r4q h TRP 34 Cb 1.04 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 29.01 1r4q h TRP 34 CO 1.19 -0.12 0.00 0.09 -3.56 0.00 0.00 178.44 176.04 1r4q n ASN 35 N -4.79 0.00 -0.00 -3.49 4.13 -1.26 -2.71 115.26 107.14 1r4q n ASN 35 Ca 0.32 -0.13 0.09 0.00 1.68 0.00 0.00 54.58 56.54 1r4q n ASN 35 Cb 1.13 -0.16 -0.11 0.00 -1.54 0.00 0.00 39.78 39.10 1r4q n ASN 35 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1r4q n LEU 36 N -1.16 0.82 -0.20 3.41 4.77 -0.45 -4.33 117.00 119.86 1r4q n LEU 36 Ca 0.08 -0.46 -0.07 0.00 -0.03 0.00 0.00 56.01 55.54 1r4q n LEU 36 Cb 0.08 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1r4q n LEU 36 CO 0.09 0.21 1.06 1.56 -1.33 0.00 0.00 177.39 178.97 1r4q h GLN 37 N 0.00 0.80 -0.33 3.23 4.20 -1.68 -0.05 115.11 121.28 1r4q h GLN 37 Ca 0.00 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 1r4q h GLN 37 Cb 0.49 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1r4q h GLN 37 CO 0.00 0.60 -0.07 1.03 -0.67 0.00 0.00 178.83 179.72 1r4q h SER 38 N 0.77 0.63 -0.26 1.46 0.87 -1.78 -1.85 113.55 113.39 1r4q h SER 38 Ca 0.20 -0.36 -0.11 0.00 -1.23 0.00 0.00 61.79 60.29 1r4q h SER 38 Cb 0.03 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1r4q h SER 38 CO -0.03 0.85 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.81 1r4q h LEU 39 N 0.41 0.75 -0.16 2.23 3.38 -1.70 -2.13 115.31 118.09 1r4q h LEU 39 Ca 0.08 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1r4q h LEU 39 Cb 0.57 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1r4q h LEU 39 CO 0.03 0.97 -0.19 -0.07 0.09 0.00 0.00 178.44 179.26 1r4q h LEU 40 N 0.64 0.45 -1.74 1.67 3.38 -0.99 -1.54 115.31 117.17 1r4q h LEU 40 Ca 0.09 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1r4q h LEU 40 Cb 0.74 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1r4q h LEU 40 CO 0.06 0.86 0.08 0.25 0.09 0.00 0.00 178.44 179.77 1r4q h LEU 41 N 0.05 0.21 -0.58 1.67 6.46 -1.33 -0.00 115.31 121.78 1r4q h LEU 41 Ca 0.02 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.65 1r4q h LEU 41 Cb 0.74 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 1r4q h LEU 41 CO 0.05 0.19 -0.17 0.28 -0.62 0.00 0.00 178.44 178.17 1r4q h SER 42 N 0.25 0.96 0.39 1.25 0.02 -1.02 -1.82 113.55 113.58 1r4q h SER 42 Ca 0.06 -0.34 -0.08 0.00 -0.84 0.00 0.00 61.79 60.59 1r4q h SER 42 Cb 0.04 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1r4q h SER 42 CO -0.01 1.11 -0.39 0.00 -1.14 0.00 0.00 176.83 176.41 1r4q h ALA 43 N 0.96 1.36 -0.10 3.77 0.00 -0.21 -2.04 119.26 123.00 1r4q h ALA 43 Ca 0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1r4q h ALA 43 Cb 0.73 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1r4q h ALA 43 CO 0.06 0.48 -0.11 0.37 0.00 0.00 0.00 179.25 180.05 1r4q h GLN 44 N 0.00 0.26 -0.28 0.00 4.15 -0.61 -0.43 115.11 118.20 1r4q h GLN 44 Ca -0.00 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.23 1r4q h GLN 44 Cb 0.68 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1r4q h GLN 44 CO 0.05 0.68 -0.02 0.82 -1.93 0.00 0.00 178.83 178.43 1r4q h ILE 45 N -0.15 1.18 0.00 2.39 2.04 -1.09 -3.09 117.51 118.80 1r4q h ILE 45 Ca 0.02 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1r4q h ILE 45 Cb 0.64 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1r4q h ILE 45 CO 0.03 0.25 -0.94 0.35 0.00 0.00 0.00 178.15 177.83 1r4q n THR 46 N -4.29 0.00 -2.20 -0.27 -2.24 -0.79 -5.00 114.28 99.49 1r4q n THR 46 Ca 0.01 -0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 61.65 1r4q n THR 46 Cb 0.24 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 1.43 0.28 3.77 3.38 0.00 -0.23 -5.02 105.19 108.80 1r4q n GLY 47 Ca 0.03 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.41 2.43 0.03 1.61 -1.94 -0.83 -4.96 119.30 111.24 1r4q s MET 48 Ca 0.02 1.28 -0.18 0.00 -1.71 0.00 0.00 55.69 55.11 1r4q s MET 48 Cb -0.01 -1.91 -0.06 0.00 2.01 0.00 0.00 34.83 34.86 1r4q s MET 48 CO 0.03 -1.52 0.51 0.99 -0.01 0.00 0.00 175.02 175.02 1r4q s THR 49 N -2.65 4.87 0.08 2.05 2.01 -1.22 -4.40 115.64 116.38 1r4q s THR 49 Ca 0.64 1.08 0.05 0.00 0.31 0.00 0.00 61.69 63.78 1r4q s THR 49 Cb -0.19 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1r4q s THR 49 CO 0.50 0.54 -0.14 0.68 -0.69 0.00 0.00 174.62 175.51 1r4q s VAL 50 N -0.95 1.14 -0.15 3.82 -7.23 -0.06 -2.23 120.40 114.73 1r4q s VAL 50 Ca 0.27 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1r4q s VAL 50 Cb -0.18 -1.16 0.01 0.00 0.56 0.00 0.00 36.38 35.61 1r4q s VAL 50 CO 0.17 -0.27 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.58 1r4q s THR 51 N -1.48 2.05 -0.10 5.32 2.01 -0.34 -1.83 115.64 121.27 1r4q s THR 51 Ca 0.00 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 61.00 1r4q s THR 51 Cb -0.09 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1r4q s THR 51 CO 0.02 0.55 0.07 -0.63 -0.69 0.00 0.00 174.62 173.94 1r4q s ILE 52 N 0.94 4.93 -0.14 1.82 1.01 -0.02 -1.06 121.20 128.68 1r4q s ILE 52 Ca -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.60 1r4q s ILE 52 Cb -0.15 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1r4q s ILE 52 CO -0.05 0.60 -0.19 -0.54 0.00 0.00 0.00 174.94 174.76 1r4q s LYS 53 N -0.99 3.11 -0.03 2.79 1.02 -1.10 -0.64 119.74 123.90 1r4q s LYS 53 Ca 0.15 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 55.02 1r4q s LYS 53 Cb -0.12 -2.50 0.11 0.00 -0.52 0.00 0.00 37.83 34.80 1r4q s LYS 53 CO 0.04 0.02 0.99 -0.08 -0.92 0.00 0.00 175.35 175.40 1r4q s THR 54 N 0.75 0.00 -0.15 2.17 -1.32 -1.13 -3.67 115.64 112.30 1r4q s THR 54 Ca -0.08 -0.09 0.18 0.00 -1.21 0.00 0.00 61.69 60.50 1r4q s THR 54 Cb -0.16 -1.17 -0.12 0.00 -1.51 0.00 0.00 72.50 69.55 1r4q s THR 54 CO 0.00 0.00 0.84 0.59 -2.21 0.00 0.00 174.62 173.84 1r4q n ASN 55 N -0.25 0.79 -1.62 8.08 5.03 -1.26 -4.18 115.26 121.86 1r4q n ASN 55 Ca -0.06 0.34 -0.05 0.00 0.87 0.00 0.00 54.58 55.67 1r4q n ASN 55 Cb 0.61 0.33 0.01 0.00 -1.02 0.00 0.00 39.78 39.72 1r4q n ASN 55 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1r4q n ALA 56 N -2.35 4.33 0.00 5.41 0.00 -1.26 -4.78 120.51 121.85 1r4q n ALA 56 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1r4q n ALA 56 Cb 0.77 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 2.67 0.99 -0.20 0.00 -3.43 -1.26 -5.05 115.29 109.00 1r4q s HIS 58 Ca 0.00 -0.61 -0.39 0.00 -0.80 0.00 0.00 55.06 53.26 1r4q s HIS 58 Cb 0.00 -0.55 -0.15 0.00 -1.43 0.00 0.00 32.58 30.44 1r4q s HIS 58 CO 0.00 -0.02 1.71 0.09 -2.00 0.00 0.00 174.74 174.52 1r4q n ASN 59 N 0.82 2.42 0.00 7.38 3.02 -1.26 -1.08 115.26 126.57 1r4q n ASN 59 Ca -0.18 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 1r4q n ASN 59 Cb 0.57 -1.18 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 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 3.99 0.44 3.85 7.41 0.00 0.70 -4.96 105.19 116.63 1r4q n GLY 60 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.67 1.85 -0.13 -0.02 0.00 -0.24 -4.74 107.32 102.36 1r4q s GLY 61 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 44.72 44.71 1r4q s GLY 61 CO 0.00 0.32 0.07 -0.32 0.00 0.00 0.00 173.10 173.17 1r4q s GLY 62 N -3.65 1.98 0.42 0.20 0.00 -1.26 -2.14 107.32 102.86 1r4q s GLY 62 Ca 0.57 -0.73 0.07 0.00 0.00 0.00 0.00 44.72 44.64 1r4q s GLY 62 CO 0.44 -0.29 0.25 -0.11 0.00 0.00 0.00 173.10 173.39 1r4q s PHE 63 N -0.50 2.64 0.00 1.90 -0.71 -0.29 -4.69 117.98 116.34 1r4q s PHE 63 Ca 0.10 -0.56 0.00 0.00 -1.04 0.00 0.00 56.93 55.44 1r4q s PHE 63 Cb -0.12 -2.03 0.00 0.00 -1.21 0.00 0.00 43.02 39.66 1r4q s PHE 63 CO 0.02 0.08 0.00 0.45 -1.34 0.00 0.00 175.22 174.43 1r4q n SER 64 N -1.35 0.06 -4.86 1.98 2.88 -1.25 -4.58 113.62 106.49 1r4q n SER 64 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1r4q n SER 64 Cb 0.64 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.04 1r4q n SER 64 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1r4q s GLU 65 N -1.01 3.80 -0.08 -1.46 2.02 -1.24 -5.05 118.70 115.67 1r4q s GLU 65 Ca 0.00 0.23 -0.10 0.00 0.02 0.00 0.00 54.97 55.12 1r4q s GLU 65 Cb 0.00 -3.01 0.02 0.00 0.10 0.00 0.00 34.13 31.24 1r4q s GLU 65 CO 0.00 0.57 0.27 0.08 0.02 0.00 0.00 175.26 176.19 1r4q s VAL 66 N -1.37 0.02 -0.24 2.63 1.01 -1.26 -2.70 120.40 118.49 1r4q s VAL 66 Ca 0.32 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1r4q s VAL 66 Cb -0.14 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 35.85 1r4q s VAL 66 CO 0.18 -0.09 -0.12 -0.63 0.00 0.00 0.00 175.10 174.44 1r4q s ILE 67 N -0.27 2.30 -0.22 2.22 1.01 -0.22 -4.97 121.20 121.05 1r4q s ILE 67 Ca -0.04 -1.36 -0.19 0.00 0.00 0.00 0.00 60.65 59.06 1r4q s ILE 67 Cb -0.03 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 1r4q s ILE 67 CO 0.01 0.14 0.55 -0.36 0.00 0.00 0.00 174.94 175.28 1r4q s PHE 68 N 1.19 3.34 0.00 3.97 0.40 -1.26 -1.19 117.98 124.43 1r4q s PHE 68 Ca -0.04 0.78 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 1r4q s PHE 68 Cb -0.18 -2.72 0.00 0.00 0.51 0.00 0.00 43.02 40.63 1r4q s PHE 68 CO -0.07 -0.17 0.04 2.89 0.70 0.00 0.00 175.22 178.61