#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 0.96 -0.78 -2.82 -0.04 -1.26 -4.74 135.00 126.32 1r4q n PRO 2 Ca 0.00 0.38 -0.30 0.00 -0.04 0.00 0.00 63.50 63.54 1r4q n PRO 2 Cb 0.00 -2.36 0.18 0.00 -0.04 0.00 0.00 33.50 31.28 1r4q n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1r4q s ASP 3 N -1.36 2.69 0.00 3.54 1.11 -1.26 -2.44 116.67 118.95 1r4q s ASP 3 Ca 0.80 1.92 0.00 0.00 0.18 0.00 0.00 52.55 55.44 1r4q s ASP 3 Cb -0.39 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.14 1r4q s ASP 3 CO 0.43 -3.20 0.00 0.00 1.18 0.00 0.00 175.17 173.59 1r4q s VAL 5 N -1.15 0.01 -0.13 0.00 0.11 -1.20 -5.01 120.40 113.03 1r4q s VAL 5 Ca 0.00 -0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 58.90 1r4q s VAL 5 Cb 0.00 -0.92 0.05 0.00 -1.53 0.00 0.00 36.38 33.98 1r4q s VAL 5 CO 0.00 -0.05 0.30 -0.89 -3.33 0.00 0.00 175.10 171.14 1r4q s THR 6 N -1.09 -0.03 -3.82 5.04 2.01 -1.26 -1.35 115.64 115.13 1r4q s THR 6 Ca -0.11 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1r4q s THR 6 Cb -0.01 -0.46 0.00 0.00 0.01 0.00 0.00 72.50 72.04 1r4q s THR 6 CO 0.08 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 1r4q n GLY 7 N 4.18 -1.52 3.89 4.40 0.00 -0.75 -4.72 105.19 110.67 1r4q n GLY 7 Ca -0.24 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.60 3.12 -0.45 1.61 1.02 -1.26 -0.93 119.74 121.26 1r4q s LYS 8 Ca 0.00 0.35 -0.25 0.00 0.02 0.00 0.00 55.97 56.09 1r4q s LYS 8 Cb 0.00 -2.15 0.03 0.00 -0.52 0.00 0.00 37.83 35.18 1r4q s LYS 8 CO 0.00 -0.73 0.87 0.08 -0.92 0.00 0.00 175.35 174.66 1r4q s VAL 9 N -3.13 4.55 0.14 3.17 1.01 -1.26 -4.29 120.40 120.58 1r4q s VAL 9 Ca 0.55 0.68 -0.15 0.00 0.00 0.00 0.00 61.98 63.06 1r4q s VAL 9 Cb -0.11 -4.38 0.01 0.00 0.00 0.00 0.00 36.38 31.90 1r4q s VAL 9 CO 0.49 -0.76 1.66 -0.08 0.00 0.00 0.00 175.10 176.41 1r4q h GLU 10 N 8.98 0.68 -2.03 2.72 4.81 -1.20 -3.46 114.58 125.08 1r4q h GLU 10 Ca -0.24 -0.15 0.16 0.00 -0.13 0.00 0.00 59.36 59.00 1r4q h GLU 10 Cb 1.08 -0.10 -0.16 0.00 0.63 0.00 0.00 28.75 30.20 1r4q h GLU 10 CO 1.00 0.66 0.59 1.52 -0.73 0.00 0.00 179.01 182.05 1r4q s TYR 11 N -5.41 -0.27 0.26 0.92 -0.85 -1.24 -5.03 117.35 105.73 1r4q s TYR 11 Ca -0.13 0.16 0.09 0.00 -0.52 0.00 0.00 57.07 56.67 1r4q s TYR 11 Cb 0.11 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.93 1r4q s TYR 11 CO 0.77 -0.45 -0.14 0.95 -1.52 0.00 0.00 175.55 175.16 1r4q s THR 12 N -2.91 1.99 -0.16 -3.49 -4.23 -1.26 -1.73 115.64 103.85 1r4q s THR 12 Ca 0.07 -2.25 -0.08 0.00 -1.18 0.00 0.00 61.69 58.24 1r4q s THR 12 Cb -0.01 -2.26 0.06 0.00 1.34 0.00 0.00 72.50 71.63 1r4q s THR 12 CO -0.07 -0.44 0.38 -0.75 -0.54 0.00 0.00 174.62 173.20 1r4q s LYS 13 N -3.62 0.35 -0.25 3.99 2.36 -0.55 -4.97 119.74 117.05 1r4q s LYS 13 Ca 0.27 0.78 -0.18 0.00 -2.55 0.00 0.00 55.97 54.28 1r4q s LYS 13 Cb -0.01 -0.00 -0.03 0.00 -1.05 0.00 0.00 37.83 36.74 1r4q s LYS 13 CO 0.11 -0.17 0.53 -0.47 1.55 0.00 0.00 175.35 176.90 1r4q s TYR 14 N 1.55 3.29 0.45 4.03 6.14 -1.26 -0.68 117.35 130.85 1r4q s TYR 14 Ca -0.08 0.69 0.04 0.00 0.64 0.00 0.00 57.07 58.36 1r4q s TYR 14 Cb -0.09 -2.73 0.01 0.00 0.42 0.00 0.00 41.96 39.57 1r4q s TYR 14 CO -0.12 -0.26 0.63 -0.80 0.64 0.00 0.00 175.55 175.64 1r4q s ASN 15 N 1.47 5.64 0.54 4.32 0.01 -0.86 -5.02 114.94 121.04 1r4q s ASN 15 Ca 0.22 -0.13 0.21 0.00 -0.71 0.00 0.00 52.86 52.45 1r4q s ASN 15 Cb -0.16 -0.98 1.44 0.00 0.41 0.00 0.00 41.25 41.96 1r4q s ASN 15 CO 0.09 -0.80 2.16 -0.78 -1.51 0.00 0.00 177.10 176.26 1r4q h ASP 16 N 0.48 0.00 -0.86 -1.22 1.82 -1.97 -2.10 116.42 112.56 1r4q h ASP 16 Ca -0.43 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 55.86 1r4q h ASP 16 Cb 1.28 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 41.08 1r4q h ASP 16 CO 0.51 0.00 0.44 -0.90 -1.61 0.00 0.00 179.24 177.68 1r4q n ASP 17 N -4.32 4.42 -1.34 2.28 5.75 -1.26 -4.91 116.55 117.18 1r4q n ASP 17 Ca -0.02 -3.39 -0.17 0.00 -0.01 0.00 0.00 54.79 51.21 1r4q n ASP 17 Cb 0.15 -0.79 -0.07 0.00 -1.03 0.00 0.00 41.12 39.38 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 -0.56 -5.13 -4.93 -1.12 8.00 -0.79 -5.00 116.55 107.01 1r4q n ASP 18 Ca 0.49 0.41 -0.25 0.00 0.71 0.00 0.00 54.79 56.16 1r4q n ASP 18 Cb 1.52 -4.34 -0.01 0.00 -0.02 0.00 0.00 41.12 38.28 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 -2.39 5.02 -0.14 -3.53 -4.23 -1.26 -4.88 115.64 104.23 1r4q s THR 19 Ca 0.00 -0.32 -0.01 0.00 -1.18 0.00 0.00 61.69 60.18 1r4q s THR 19 Cb 0.00 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 1r4q s THR 19 CO 0.00 -0.61 -0.12 0.12 -0.54 0.00 0.00 174.62 173.47 1r4q s PHE 20 N -2.42 2.84 -0.06 3.99 5.36 -0.72 -2.03 117.98 124.94 1r4q s PHE 20 Ca 0.42 -0.63 -0.03 0.00 -0.96 0.00 0.00 56.93 55.73 1r4q s PHE 20 Cb -0.10 -1.87 -0.04 0.00 -0.34 0.00 0.00 43.02 40.68 1r4q s PHE 20 CO 0.38 -0.21 0.10 0.99 -1.46 0.00 0.00 175.22 175.02 1r4q s THR 21 N 0.41 5.01 -0.04 0.12 2.01 0.14 -1.12 115.64 122.17 1r4q s THR 21 Ca -0.09 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 61.85 1r4q s THR 21 Cb -0.16 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 1r4q s THR 21 CO 0.05 0.50 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.56 1r4q s VAL 22 N -1.09 1.85 -0.37 3.82 1.01 -0.03 -1.48 120.40 124.12 1r4q s VAL 22 Ca 0.19 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1r4q s VAL 22 Cb -0.12 -1.56 0.08 0.00 0.00 0.00 0.00 36.38 34.78 1r4q s VAL 22 CO 0.09 0.52 0.13 -0.75 0.00 0.00 0.00 175.10 175.09 1r4q s LYS 23 N -0.31 2.28 -0.00 2.72 2.47 -0.70 -1.91 119.74 124.29 1r4q s LYS 23 Ca 0.02 -1.52 0.05 0.00 -1.56 0.00 0.00 55.97 52.97 1r4q s LYS 23 Cb -0.11 -3.46 -0.02 0.00 -1.46 0.00 0.00 37.83 32.79 1r4q s LYS 23 CO 0.01 -0.86 -0.17 0.08 0.16 0.00 0.00 175.35 174.57 1r4q s VAL 24 N 1.24 1.33 0.00 4.02 1.01 -1.14 -0.52 120.40 126.35 1r4q s VAL 24 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1r4q s VAL 24 Cb -0.21 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1r4q s VAL 24 CO -0.02 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1r4q n GLY 25 N 2.49 3.53 0.08 4.51 0.00 -1.26 -2.82 105.19 111.72 1r4q n GLY 25 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 5.05 1.37 -4.78 1.61 5.75 -1.26 -4.97 116.55 119.32 1r4q n ASP 26 Ca 0.00 -0.02 -0.34 0.00 -0.01 0.00 0.00 54.79 54.42 1r4q n ASP 26 Cb 0.00 0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 40.75 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 -2.38 3.46 -0.35 0.11 -0.14 -1.13 -4.94 119.74 114.37 1r4q s LYS 27 Ca -0.11 1.50 -0.00 0.00 -1.36 0.00 0.00 55.97 55.99 1r4q s LYS 27 Cb 0.05 -2.03 0.11 0.00 -1.68 0.00 0.00 37.83 34.28 1r4q s LYS 27 CO 0.61 -0.74 0.15 -2.00 -0.76 0.00 0.00 175.35 172.61 1r4q s GLU 28 N -3.36 0.83 0.50 1.68 2.12 -1.26 -2.87 118.70 116.34 1r4q s GLU 28 Ca 0.70 -1.34 0.07 0.00 0.36 0.00 0.00 54.97 54.77 1r4q s GLU 28 Cb -0.21 -1.97 0.09 0.00 0.26 0.00 0.00 34.13 32.30 1r4q s GLU 28 CO 0.26 -1.06 0.70 1.28 -0.54 0.00 0.00 175.26 175.90 1r4q n LEU 29 N 4.41 0.00 -4.02 2.70 4.77 -0.81 -1.16 117.00 122.89 1r4q n LEU 29 Ca 0.02 -2.09 -0.09 0.00 -0.03 0.00 0.00 56.01 53.82 1r4q n LEU 29 Cb 0.39 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1r4q n LEU 29 CO 0.15 -0.70 0.13 0.72 -1.33 0.00 0.00 177.39 176.36 1r4q s PHE 30 N -2.10 0.46 -0.11 -1.77 -0.12 -0.77 -0.85 117.98 112.72 1r4q s PHE 30 Ca 0.52 -0.80 -0.15 0.00 -0.05 0.00 0.00 56.93 56.44 1r4q s PHE 30 Cb -0.04 0.10 0.04 0.00 -0.63 0.00 0.00 43.02 42.49 1r4q s PHE 30 CO 0.33 -0.96 0.40 -0.08 -0.05 0.00 0.00 175.22 174.87 1r4q s THR 31 N -4.02 0.02 -2.34 -4.49 -1.32 -0.28 -1.09 115.64 102.11 1r4q s THR 31 Ca 0.24 -0.13 0.22 0.00 -1.21 0.00 0.00 61.69 60.82 1r4q s THR 31 Cb 0.00 -0.61 0.47 0.00 -1.51 0.00 0.00 72.50 70.85 1r4q s THR 31 CO 0.10 -0.07 1.44 -0.46 -2.21 0.00 0.00 174.62 173.42 1r4q n ASN 32 N 2.33 3.35 -4.45 8.08 6.94 -1.26 -1.75 115.26 128.49 1r4q n ASN 32 Ca -0.16 -1.97 -0.43 0.00 -0.02 0.00 0.00 54.58 52.00 1r4q n ASN 32 Cb 0.57 -0.29 -0.04 0.00 -2.36 0.00 0.00 39.78 37.66 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 -1.42 3.11 0.37 -3.83 1.81 -1.26 -4.95 118.95 112.77 1r4q s ARG 33 Ca 0.40 -0.83 0.18 0.00 -1.72 0.00 0.00 55.73 53.76 1r4q s ARG 33 Cb 0.23 -4.23 1.16 0.00 -0.45 0.00 0.00 34.95 31.65 1r4q s ARG 33 CO 0.31 -1.82 1.67 -1.49 -0.68 0.00 0.00 175.30 173.28 1r4q h TRP 34 N 9.57 0.83 0.00 -0.53 4.06 -1.94 -1.37 115.95 126.57 1r4q h TRP 34 Ca -0.29 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.64 1r4q h TRP 34 Cb 1.07 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 29.00 1r4q h TRP 34 CO 0.97 -0.16 -0.28 -0.91 -3.56 0.00 0.00 178.44 174.50 1r4q h ASN 35 N 0.28 0.00 0.84 -3.49 2.35 -2.00 -3.07 115.58 110.49 1r4q h ASN 35 Ca 0.74 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.46 1r4q h ASN 35 Cb 1.83 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.20 1r4q h ASN 35 CO -0.55 0.28 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.29 1r4q h LEU 36 N 0.00 0.00 0.84 1.61 3.38 -1.67 -3.25 115.31 116.22 1r4q h LEU 36 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1r4q h LEU 36 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1r4q h LEU 36 CO 0.04 0.15 -0.48 1.56 0.09 0.00 0.00 178.44 179.80 1r4q h GLN 37 N 0.00 -1.18 0.01 1.13 4.20 -1.64 0.50 115.11 118.13 1r4q h GLN 37 Ca -0.00 0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.82 1r4q h GLN 37 Cb 0.62 0.27 -0.04 0.00 0.30 0.00 0.00 27.48 28.62 1r4q h GLN 37 CO 0.02 -0.78 -0.24 1.03 -0.67 0.00 0.00 178.83 178.18 1r4q h SER 38 N -1.22 -0.72 -0.82 1.46 0.87 -1.75 -1.95 113.55 109.43 1r4q h SER 38 Ca -0.11 0.10 0.17 0.00 -1.23 0.00 0.00 61.79 60.72 1r4q h SER 38 Cb 0.96 0.29 -0.11 0.00 -0.44 0.00 0.00 62.40 63.11 1r4q h SER 38 CO 0.14 -0.31 0.34 -0.07 -0.53 0.00 0.00 176.83 176.39 1r4q h LEU 39 N -0.38 0.30 -0.58 2.23 3.38 -1.56 -2.28 115.31 116.41 1r4q h LEU 39 Ca 0.06 0.13 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 1r4q h LEU 39 Cb 0.46 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1r4q h LEU 39 CO -0.21 0.07 -0.46 -0.07 0.09 0.00 0.00 178.44 177.86 1r4q h LEU 40 N 0.43 0.66 -0.93 1.67 3.38 0.59 -2.14 115.31 118.97 1r4q h LEU 40 Ca 0.47 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1r4q h LEU 40 Cb 0.79 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1r4q h LEU 40 CO -0.46 1.02 0.05 0.25 0.09 0.00 0.00 178.44 179.39 1r4q h LEU 41 N 0.49 0.80 -0.64 1.67 5.85 -0.82 -0.23 115.31 122.42 1r4q h LEU 41 Ca 0.03 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 1r4q h LEU 41 Cb 0.99 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1r4q h LEU 41 CO 0.09 0.83 -0.18 0.28 -0.34 0.00 0.00 178.44 179.12 1r4q h SER 42 N 0.79 0.88 -0.35 1.25 0.02 -1.34 -0.59 113.55 114.22 1r4q h SER 42 Ca 0.16 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1r4q h SER 42 Cb 0.40 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1r4q h SER 42 CO 0.01 1.05 0.20 0.00 -1.14 0.00 0.00 176.83 176.94 1r4q h ALA 43 N 1.02 0.45 -0.81 3.77 0.00 -0.79 -0.48 119.26 122.42 1r4q h ALA 43 Ca 0.11 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1r4q h ALA 43 Cb 0.71 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1r4q h ALA 43 CO 0.05 -0.03 0.53 0.37 0.00 0.00 0.00 179.25 180.18 1r4q h GLN 44 N 0.45 1.06 0.00 0.00 4.15 -0.69 -0.46 115.11 119.61 1r4q h GLN 44 Ca 0.12 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.36 1r4q h GLN 44 Cb 0.05 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1r4q h GLN 44 CO -0.02 0.70 -0.59 0.82 -1.93 0.00 0.00 178.83 177.81 1r4q h ILE 45 N 1.09 1.23 -0.00 2.39 2.04 -0.82 -3.20 117.51 120.23 1r4q h ILE 45 Ca 0.30 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.97 1r4q h ILE 45 Cb -0.12 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1r4q h ILE 45 CO -0.07 0.58 -0.62 0.35 0.00 0.00 0.00 178.15 178.40 1r4q n THR 46 N -3.54 0.00 -1.96 -0.27 -2.24 -0.22 -4.98 114.28 101.07 1r4q n THR 46 Ca -0.00 -0.06 -0.05 0.00 -2.27 0.00 0.00 64.05 61.67 1r4q n THR 46 Cb 0.66 0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 69.55 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 1.46 0.25 3.76 3.38 0.00 -0.22 -5.02 105.19 108.80 1r4q n GLY 47 Ca 0.07 -0.71 -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 -3.98 2.24 -0.14 1.61 -1.94 -1.00 -4.95 119.30 111.15 1r4q s MET 48 Ca 0.00 1.30 -0.12 0.00 -1.71 0.00 0.00 55.69 55.16 1r4q s MET 48 Cb 0.00 -1.89 -0.05 0.00 2.01 0.00 0.00 34.83 34.91 1r4q s MET 48 CO 0.00 -1.67 0.25 0.99 -0.01 0.00 0.00 175.02 174.58 1r4q s THR 49 N -2.69 5.33 0.30 2.05 2.01 0.19 -4.42 115.64 118.41 1r4q s THR 49 Ca 0.64 0.45 0.11 0.00 0.31 0.00 0.00 61.69 63.20 1r4q s THR 49 Cb -0.19 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1r4q s THR 49 CO 0.52 0.47 -0.11 0.68 -0.69 0.00 0.00 174.62 175.49 1r4q s VAL 50 N -0.06 2.64 -0.10 3.82 -7.23 -0.10 -1.41 120.40 117.95 1r4q s VAL 50 Ca 0.16 -2.21 -0.01 0.00 -1.81 0.00 0.00 61.98 58.11 1r4q s VAL 50 Cb -0.13 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.29 1r4q s VAL 50 CO 0.04 -0.32 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.60 1r4q s THR 51 N -2.50 0.61 -0.13 5.32 2.01 -0.78 -1.82 115.64 118.36 1r4q s THR 51 Ca 0.32 -0.09 -0.11 0.00 0.31 0.00 0.00 61.69 62.11 1r4q s THR 51 Cb -0.03 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.67 1r4q s THR 51 CO 0.17 0.24 0.23 -0.63 -0.69 0.00 0.00 174.62 173.94 1r4q s ILE 52 N 1.87 5.34 -0.17 1.82 1.09 -0.46 -1.03 121.20 129.66 1r4q s ILE 52 Ca 0.04 0.42 -0.01 0.00 -1.10 0.00 0.00 60.65 60.01 1r4q s ILE 52 Cb -0.13 -3.54 -0.00 0.00 -1.06 0.00 0.00 42.46 37.73 1r4q s ILE 52 CO -0.06 0.50 -0.13 -0.54 -0.10 0.00 0.00 174.94 174.61 1r4q s LYS 53 N -0.28 3.24 -0.01 2.79 1.02 -1.04 -1.21 119.74 124.25 1r4q s LYS 53 Ca 0.16 -0.73 -0.28 0.00 0.02 0.00 0.00 55.97 55.14 1r4q s LYS 53 Cb -0.13 -2.71 0.10 0.00 -0.52 0.00 0.00 37.83 34.57 1r4q s LYS 53 CO 0.04 -0.05 0.83 -0.08 -0.92 0.00 0.00 175.35 175.18 1r4q s THR 54 N 0.99 0.00 -0.01 2.17 -1.32 -1.02 -3.78 115.64 112.66 1r4q s THR 54 Ca -0.02 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.37 1r4q s THR 54 Cb -0.15 -1.00 -0.31 0.00 -1.51 0.00 0.00 72.50 69.54 1r4q s THR 54 CO -0.02 0.00 0.81 0.78 -2.21 0.00 0.00 174.62 173.98 1r4q h ASN 55 N 2.24 0.58 0.00 8.08 -0.26 -1.86 -3.34 115.58 121.02 1r4q h ASN 55 Ca -0.24 -0.79 -0.02 0.00 -0.56 0.00 0.00 56.30 54.70 1r4q h ASN 55 Cb 1.23 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 38.29 1r4q h ASN 55 CO 0.33 1.65 -0.01 0.00 -1.06 0.00 0.00 177.43 178.34 1r4q n ALA 56 N -2.76 3.34 -0.10 -0.83 0.00 -1.26 -4.75 120.51 114.14 1r4q n ALA 56 Ca -0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 53.44 53.09 1r4q n ALA 56 Cb 1.07 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 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 2.14 1.29 0.21 0.00 -3.43 -1.26 -5.01 115.29 109.21 1r4q s HIS 58 Ca 0.04 -0.34 -0.28 0.00 -0.80 0.00 0.00 55.06 53.67 1r4q s HIS 58 Cb 0.02 -0.77 -0.17 0.00 -1.43 0.00 0.00 32.58 30.23 1r4q s HIS 58 CO 0.00 0.04 0.62 0.09 -2.00 0.00 0.00 174.74 173.48 1r4q n ASN 59 N 1.97 -0.80 0.00 7.38 4.13 -1.26 -0.22 115.26 126.46 1r4q n ASN 59 Ca -0.18 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.22 1r4q n ASN 59 Cb 0.55 -1.00 0.00 0.00 -1.54 0.00 0.00 39.78 37.78 1r4q n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1r4q n GLY 60 N 1.87 1.28 3.86 7.41 0.00 -0.31 -4.94 105.19 114.37 1r4q n GLY 60 Ca 0.17 0.00 -0.33 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 -1.85 2.34 0.35 -0.02 0.00 0.69 -4.83 107.32 104.00 1r4q s GLY 61 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.39 1r4q s GLY 61 CO 0.00 -0.02 0.73 -0.32 0.00 0.00 0.00 173.10 173.48 1r4q s GLY 62 N -2.17 2.13 0.19 0.20 0.00 -1.26 -1.84 107.32 104.57 1r4q s GLY 62 Ca 0.45 -0.12 -0.00 0.00 0.00 0.00 0.00 44.72 45.05 1r4q s GLY 62 CO 0.20 0.07 0.09 -0.11 0.00 0.00 0.00 173.10 173.35 1r4q s PHE 63 N -2.15 1.18 0.00 1.90 -0.12 -0.25 -4.53 117.98 114.01 1r4q s PHE 63 Ca 0.52 -1.27 0.00 0.00 -0.05 0.00 0.00 56.93 56.13 1r4q s PHE 63 Cb -0.10 -0.63 0.00 0.00 -0.63 0.00 0.00 43.02 41.66 1r4q s PHE 63 CO 0.24 -0.50 0.03 -1.13 -0.05 0.00 0.00 175.22 173.81 1r4q n SER 64 N -0.27 0.00 -4.34 1.98 3.41 -1.26 -4.58 113.62 108.56 1r4q n SER 64 Ca -0.01 -1.00 -0.31 0.00 -0.26 0.00 0.00 58.87 57.29 1r4q n SER 64 Cb 0.65 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.45 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 2.17 -0.16 4.33 2.02 -1.25 -5.07 118.70 120.75 1r4q s GLU 65 Ca 0.00 -0.90 -0.14 0.00 0.02 0.00 0.00 54.97 53.95 1r4q s GLU 65 Cb 0.00 -2.10 0.04 0.00 0.10 0.00 0.00 34.13 32.17 1r4q s GLU 65 CO 0.00 0.57 0.42 0.08 0.02 0.00 0.00 175.26 176.35 1r4q s VAL 66 N -0.64 -0.00 -0.12 2.63 1.01 -1.26 -2.49 120.40 119.53 1r4q s VAL 66 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1r4q s VAL 66 Cb -0.10 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1r4q s VAL 66 CO -0.01 0.00 -0.09 -0.63 0.00 0.00 0.00 175.10 174.38 1r4q s ILE 67 N 0.29 3.48 -0.25 2.22 1.01 -0.20 -4.95 121.20 122.80 1r4q s ILE 67 Ca -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 1r4q s ILE 67 Cb -0.03 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1r4q s ILE 67 CO -0.00 0.54 0.00 -0.36 0.00 0.00 0.00 174.94 175.12 1r4q s PHE 68 N -0.03 3.05 0.00 3.97 0.08 -1.26 -1.86 117.98 121.93 1r4q s PHE 68 Ca -0.01 -1.02 0.00 0.00 0.12 0.00 0.00 56.93 56.02 1r4q s PHE 68 Cb -0.14 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.16 1r4q s PHE 68 CO 0.03 -0.57 0.36 -2.13 -0.10 0.00 0.00 175.22 172.81