#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7i s LYS 2 N 0.00 4.02 -0.82 1.61 2.20 -1.26 -4.89 119.74 120.60 1q7i s LYS 2 Ca 0.00 2.16 0.01 0.00 -0.36 0.00 0.00 55.97 57.77 1q7i s LYS 2 Cb 0.00 -4.06 0.35 0.00 -1.51 0.00 0.00 37.83 32.61 1q7i s LYS 2 CO 0.00 -1.05 1.64 0.39 -0.36 0.00 0.00 175.35 175.97 1q7i n GLU 3 N 7.43 3.99 -2.66 4.03 1.02 -1.26 -4.63 120.64 128.57 1q7i n GLU 3 Ca 0.19 -4.34 -0.04 0.00 -0.02 0.00 0.00 57.16 52.96 1q7i n GLU 3 Cb 0.43 -2.34 0.10 0.00 -0.02 0.00 0.00 31.44 29.61 1q7i n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q7i n ASP 5 N 0.94 0.27 -4.32 0.00 -0.08 -0.56 -4.45 116.55 108.35 1q7i n ASP 5 Ca -0.03 1.45 -0.16 0.00 -1.51 0.00 0.00 54.79 54.54 1q7i n ASP 5 Cb 0.74 -0.71 -0.10 0.00 2.34 0.00 0.00 41.12 43.38 1q7i n ASP 5 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q7i n SER 7 N -0.45 1.99 -3.95 0.00 3.41 -1.26 -4.81 113.62 108.55 1q7i n SER 7 Ca -0.01 -3.75 -0.27 0.00 -0.26 0.00 0.00 58.87 54.57 1q7i n SER 7 Cb 0.66 -0.54 -0.17 0.00 -0.26 0.00 0.00 64.21 63.90 1q7i n SER 7 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1q7i s SER 8 N -3.03 2.27 -0.00 4.04 0.01 -1.26 -4.99 113.70 110.74 1q7i s SER 8 Ca 0.39 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1q7i s SER 8 Cb 0.36 -0.93 0.00 0.00 0.21 0.00 0.00 66.02 65.67 1q7i s SER 8 CO -0.04 -0.08 0.75 -0.81 0.41 0.00 0.00 173.24 173.47 1q7i n PRO 9 N 4.76 1.02 -2.60 12.44 -0.04 -1.26 -3.78 135.00 145.53 1q7i n PRO 9 Ca -0.15 -0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 1q7i n PRO 9 Cb 0.50 -1.26 0.02 0.00 -0.04 0.00 0.00 33.50 32.73 1q7i n PRO 9 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1q7i n GLU 10 N -0.24 1.94 -3.81 0.54 -0.58 -1.26 -4.84 120.64 112.39 1q7i n GLU 10 Ca 0.00 -3.67 -0.13 0.00 -0.42 0.00 0.00 57.16 52.95 1q7i n GLU 10 Cb 0.13 -1.60 -0.13 0.00 -0.57 0.00 0.00 31.44 29.27 1q7i n GLU 10 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1q7i s ASN 11 N -3.32 -0.13 -0.01 1.62 2.47 -1.25 -5.06 114.94 109.26 1q7i s ASN 11 Ca 0.34 0.27 -0.20 0.00 0.42 0.00 0.00 52.86 53.69 1q7i s ASN 11 Cb 0.43 0.26 -0.25 0.00 -1.45 0.00 0.00 41.25 40.24 1q7i s ASN 11 CO -0.03 -0.06 1.06 1.55 -3.72 0.00 0.00 177.10 175.90 1q7i h PRO 12 N 6.15 0.38 -0.35 0.43 0.13 -1.93 -3.18 132.00 133.63 1q7i h PRO 12 Ca -0.28 -0.43 0.10 0.00 -0.87 0.00 0.00 66.00 64.52 1q7i h PRO 12 Cb 1.19 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1q7i h PRO 12 CO 0.43 1.11 0.65 0.00 -0.23 0.00 0.00 178.00 179.96 1q7i s ASP 15 N -1.45 0.02 -0.01 0.00 -1.08 -0.14 -4.57 116.67 109.43 1q7i s ASP 15 Ca 0.02 0.05 0.03 0.00 -0.52 0.00 0.00 52.55 52.12 1q7i s ASP 15 Cb 0.00 -0.00 -0.25 0.00 -1.46 0.00 0.00 42.92 41.20 1q7i s ASP 15 CO 0.01 -0.06 0.79 0.00 0.52 0.00 0.00 175.17 176.43 1q7i h ALA 16 N 6.68 0.46 0.00 3.66 0.00 -1.88 0.46 119.26 128.63 1q7i h ALA 16 Ca -0.34 -1.23 -0.00 0.00 0.00 0.00 0.00 54.91 53.34 1q7i h ALA 16 Cb 1.17 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1q7i h ALA 16 CO 0.49 1.32 -0.00 0.00 0.00 0.00 0.00 179.25 181.05 1q7i h ALA 17 N 0.66 1.00 0.00 0.00 0.00 -1.97 -3.14 119.26 115.81 1q7i h ALA 17 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1q7i h ALA 17 Cb 1.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1q7i h ALA 17 CO 0.12 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.63 1q7i n THR 18 N -3.10 0.00 -3.80 0.00 -2.24 -1.24 -5.04 114.28 98.85 1q7i n THR 18 Ca -0.00 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.22 1q7i n THR 18 Cb 0.25 1.44 0.01 0.00 -2.10 0.00 0.00 70.33 69.93 1q7i n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q7i n LYS 20 N -3.34 0.00 -3.27 0.00 4.76 -1.09 -0.49 118.16 114.73 1q7i n LYS 20 Ca -0.22 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 54.86 1q7i n LYS 20 Cb 0.64 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.77 1q7i n LYS 20 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1q7i s LEU 21 N 0.00 4.38 -0.06 -0.35 1.43 -1.26 -0.97 118.68 121.85 1q7i s LEU 21 Ca 0.00 1.21 -0.30 0.00 -1.03 0.00 0.00 54.13 54.01 1q7i s LEU 21 Cb 0.00 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 1q7i s LEU 21 CO 0.00 0.12 1.04 -0.60 0.23 0.00 0.00 176.35 177.14 1q7i s ARG 22 N -1.78 4.45 -0.99 1.70 3.52 -1.14 -4.84 118.95 119.87 1q7i s ARG 22 Ca 0.37 1.46 -0.26 0.00 -0.13 0.00 0.00 55.73 57.17 1q7i s ARG 22 Cb -0.16 -3.51 -0.19 0.00 -1.56 0.00 0.00 34.95 29.52 1q7i s ARG 22 CO 0.20 -0.27 2.21 -1.25 -0.81 0.00 0.00 175.30 175.37 1q7i s PRO 23 N 1.75 1.38 0.00 5.12 0.04 -1.26 -2.34 135.00 139.69 1q7i s PRO 23 Ca 0.51 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1q7i s PRO 23 Cb -0.20 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.41 1q7i s PRO 23 CO 0.22 -5.08 0.00 0.41 0.04 0.00 0.00 177.00 172.59 1q7i n GLY 24 N 6.38 0.06 0.00 0.56 0.00 -1.26 -5.14 105.19 105.79 1q7i n GLY 24 Ca 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1q7i n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q7i n ALA 25 N 0.00 0.00 -0.60 4.61 0.00 -0.99 -5.06 120.51 118.47 1q7i n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q7i n ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1q7i n ALA 25 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1q7i n GLN 26 N -0.09 -0.16 -3.64 0.00 7.27 -1.21 -4.99 117.38 114.56 1q7i n GLN 26 Ca 0.00 -0.16 -0.02 0.00 0.07 0.00 0.00 57.00 56.88 1q7i n GLN 26 Cb 0.00 -0.64 -0.07 0.00 2.41 0.00 0.00 30.24 31.94 1q7i n GLN 26 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1q7i h GLY 28 N 5.82 0.00 0.00 0.00 0.00 -1.89 -3.38 103.07 103.62 1q7i h GLY 28 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1q7i h GLY 28 CO 0.20 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.53 1q7i n GLU 29 N -3.39 0.00 -3.61 4.80 2.13 -1.26 -4.27 120.64 115.03 1q7i n GLU 29 Ca 0.01 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1q7i n GLU 29 Cb 0.58 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.29 1q7i n GLU 29 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1q7i s GLY 30 N 0.00 -0.44 0.00 8.31 0.00 -1.26 -4.84 107.32 109.09 1q7i s GLY 30 Ca 0.00 0.78 0.21 0.00 0.00 0.00 0.00 44.72 45.71 1q7i s GLY 30 CO 0.00 0.52 1.69 1.04 0.00 0.00 0.00 173.10 176.35 1q7i n LEU 31 N -0.52 0.00 -3.05 0.66 7.99 0.34 -3.88 117.00 118.53 1q7i n LEU 31 Ca -0.08 0.39 -0.17 0.00 -0.01 0.00 0.00 56.01 56.14 1q7i n LEU 31 Cb 0.63 -0.39 -0.01 0.00 -0.11 0.00 0.00 43.42 43.54 1q7i n LEU 31 CO 0.12 -0.11 -0.09 0.00 -1.51 0.00 0.00 177.39 175.80 1q7i n GLU 34 N 5.31 -0.50 -1.55 0.00 4.07 0.84 -4.53 120.64 124.28 1q7i n GLU 34 Ca -0.05 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.91 1q7i n GLU 34 Cb 0.50 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.79 1q7i n GLU 34 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1q7i n GLN 35 N -1.04 0.49 -3.43 5.31 6.02 -1.26 -2.65 117.38 120.82 1q7i n GLN 35 Ca 0.00 -0.83 -0.17 0.00 -0.01 0.00 0.00 57.00 55.99 1q7i n GLN 35 Cb 0.00 -3.48 0.08 0.00 1.02 0.00 0.00 30.24 27.86 1q7i n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1q7i s LYS 37 N -5.29 0.77 -0.17 0.00 -0.14 -1.08 -3.34 119.74 110.48 1q7i s LYS 37 Ca 0.06 1.08 -0.28 0.00 -1.36 0.00 0.00 55.97 55.47 1q7i s LYS 37 Cb -0.01 0.29 -0.06 0.00 -1.68 0.00 0.00 37.83 36.37 1q7i s LYS 37 CO 0.74 -0.12 2.15 -0.06 -0.76 0.00 0.00 175.35 177.30 1q7i s PHE 38 N 0.92 1.22 1.25 3.18 0.08 -1.26 -0.11 117.98 123.25 1q7i s PHE 38 Ca -0.04 0.35 -0.19 0.00 0.12 0.00 0.00 56.93 57.17 1q7i s PHE 38 Cb -0.05 -4.00 0.28 0.00 -0.57 0.00 0.00 43.02 38.68 1q7i s PHE 38 CO -0.08 -4.31 0.63 0.43 -0.10 0.00 0.00 175.22 171.78 1q7i n SER 39 N 10.82 -3.43 -4.95 1.36 7.64 -0.88 -4.77 113.62 119.41 1q7i n SER 39 Ca 0.27 -0.59 -0.25 0.00 1.01 0.00 0.00 58.87 59.32 1q7i n SER 39 Cb 0.44 -0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 1q7i n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q7i s ARG 40 N -4.29 3.45 0.85 1.43 1.70 -1.26 -4.14 118.95 116.70 1q7i s ARG 40 Ca 0.54 -0.58 -0.12 0.00 -0.47 0.00 0.00 55.73 55.10 1q7i s ARG 40 Cb -0.11 -2.91 0.18 0.00 -0.57 0.00 0.00 34.95 31.54 1q7i s ARG 40 CO 0.48 0.46 0.41 0.00 -1.08 0.00 0.00 175.30 175.58 1q7i n ALA 41 N -0.83 -2.49 -2.25 7.88 0.00 0.27 -3.27 120.51 119.82 1q7i n ALA 41 Ca -0.07 -0.73 -0.20 0.00 0.00 0.00 0.00 53.44 52.44 1q7i n ALA 41 Cb 0.55 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 1q7i n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q7i n GLY 42 N -1.83 -0.07 3.69 0.00 0.00 -0.47 -4.83 105.19 101.67 1q7i n GLY 42 Ca 0.07 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1q7i n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q7i s LYS 43 N -4.79 4.12 -0.50 1.61 2.47 -1.20 -4.80 119.74 116.65 1q7i s LYS 43 Ca 0.00 -0.25 -0.29 0.00 -1.56 0.00 0.00 55.97 53.87 1q7i s LYS 43 Cb 0.00 -3.45 0.03 0.00 -1.46 0.00 0.00 37.83 32.95 1q7i s LYS 43 CO 0.00 0.19 1.19 0.42 0.16 0.00 0.00 175.35 177.32 1q7i s ILE 44 N 0.66 4.10 -0.57 5.43 -1.09 -1.26 0.76 121.20 129.24 1q7i s ILE 44 Ca 0.07 1.09 0.24 0.00 -2.23 0.00 0.00 60.65 59.82 1q7i s ILE 44 Cb -0.12 -4.59 0.08 0.00 -1.58 0.00 0.00 42.46 36.24 1q7i s ILE 44 CO 0.01 -1.08 1.33 0.00 -1.23 0.00 0.00 174.94 173.97 1q7i s ARG 46 N -3.20 0.16 0.73 0.00 3.52 -1.26 -5.01 118.95 113.90 1q7i s ARG 46 Ca 0.06 0.31 -0.14 0.00 -0.13 0.00 0.00 55.73 55.83 1q7i s ARG 46 Cb 0.12 0.17 0.04 0.00 -1.56 0.00 0.00 34.95 33.72 1q7i s ARG 46 CO 0.72 -0.16 1.14 -1.50 -0.81 0.00 0.00 175.30 174.69 1q7i s ILE 47 N 2.85 2.82 -0.30 4.11 -1.16 -1.26 -2.94 121.20 125.33 1q7i s ILE 47 Ca -0.02 0.35 -0.34 0.00 -0.51 0.00 0.00 60.65 60.13 1q7i s ILE 47 Cb -0.09 -2.82 -0.10 0.00 0.61 0.00 0.00 42.46 40.06 1q7i s ILE 47 CO -0.11 -0.26 2.15 0.00 -2.81 0.00 0.00 174.94 173.90 1q7i n ALA 48 N -2.92 1.13 -0.52 1.50 0.00 -1.26 -4.86 120.51 113.57 1q7i n ALA 48 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1q7i n ALA 48 Cb 0.52 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.37 1q7i n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q7i n ARG 49 N 8.03 0.00 0.07 0.00 1.74 -1.26 -4.12 116.66 121.12 1q7i n ARG 49 Ca 0.37 0.26 -0.11 0.00 -0.77 0.00 0.00 57.85 57.60 1q7i n ARG 49 Cb 0.27 -1.24 -0.07 0.00 -1.02 0.00 0.00 32.46 30.40 1q7i n ARG 49 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1q7i h GLY 50 N 0.00 -0.27 0.00 -0.13 0.00 -2.02 -3.48 103.07 97.17 1q7i h GLY 50 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1q7i h GLY 50 CO 0.00 -0.10 0.00 1.22 0.00 0.00 0.00 176.54 177.66 1q7i n ASP 51 N -4.96 0.00 -0.46 0.19 9.92 -1.26 -5.19 116.55 114.79 1q7i n ASP 51 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1q7i n ASP 51 Cb 0.26 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 1q7i n ASP 51 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66 1q7i n TRP 52 N 0.00 -0.08 -1.77 1.24 2.14 -1.26 -5.08 117.44 112.63 1q7i n TRP 52 Ca 0.00 0.00 -0.37 0.00 2.07 0.00 0.00 57.50 59.20 1q7i n TRP 52 Cb 0.00 0.00 0.06 0.00 -0.81 0.00 0.00 31.31 30.56 1q7i n TRP 52 CO 0.00 0.00 0.00 -0.80 2.07 0.00 0.00 177.69 178.96 1q7i s ASN 53 N 0.61 4.71 0.27 -0.67 0.02 -1.26 -4.64 114.94 113.99 1q7i s ASN 53 Ca 0.00 2.62 -0.25 0.00 -1.02 0.00 0.00 52.86 54.21 1q7i s ASN 53 Cb 0.00 -2.62 -0.09 0.00 0.02 0.00 0.00 41.25 38.56 1q7i s ASN 53 CO 0.00 -1.93 0.88 -1.81 0.02 0.00 0.00 177.10 174.26 1q7i s ASP 54 N -1.36 7.32 0.10 -1.22 1.01 -1.26 -4.44 116.67 116.82 1q7i s ASP 54 Ca 0.81 1.74 -0.30 0.00 0.71 0.00 0.00 52.55 55.51 1q7i s ASP 54 Cb -0.37 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 40.96 1q7i s ASP 54 CO 0.40 0.01 0.97 -1.81 0.21 0.00 0.00 175.17 174.95 1q7i s ASP 55 N -1.52 7.47 0.17 0.27 1.01 -1.15 -5.00 116.67 117.92 1q7i s ASP 55 Ca 0.46 1.78 0.09 0.00 0.71 0.00 0.00 52.55 55.60 1q7i s ASP 55 Cb -0.20 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.11 1q7i s ASP 55 CO 0.24 -0.10 -0.20 -0.60 0.21 0.00 0.00 175.17 174.73 1q7i s ARG 56 N 0.14 1.34 0.34 8.23 6.06 -1.25 -2.75 118.95 131.06 1q7i s ARG 56 Ca 0.48 -1.44 0.08 0.00 -2.50 0.00 0.00 55.73 52.35 1q7i s ARG 56 Cb -0.23 -1.47 -0.04 0.00 0.06 0.00 0.00 34.95 33.27 1q7i s ARG 56 CO 0.30 0.31 0.18 0.00 -2.50 0.00 0.00 175.30 173.58 1q7i n THR 58 N -1.20 0.00 -0.43 0.00 -2.24 -1.26 -1.37 114.28 107.77 1q7i n THR 58 Ca -0.03 -0.09 0.09 0.00 -2.27 0.00 0.00 64.05 61.75 1q7i n THR 58 Cb 0.61 -1.77 0.33 0.00 -2.10 0.00 0.00 70.33 67.40 1q7i n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q7i n GLY 59 N 4.36 2.50 0.52 3.38 0.00 -1.26 -0.56 105.19 114.12 1q7i n GLY 59 Ca 0.01 -0.79 -0.00 0.00 0.00 0.00 0.00 46.02 45.24 1q7i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q7i n GLN 60 N 1.09 0.00 -4.27 1.61 10.64 -1.26 -4.63 117.38 120.57 1q7i n GLN 60 Ca 0.24 -0.19 -0.29 0.00 -1.83 0.00 0.00 57.00 54.93 1q7i n GLN 60 Cb 0.82 -0.06 -0.10 0.00 -0.86 0.00 0.00 30.24 30.03 1q7i n GLN 60 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1q7i s SER 61 N -0.19 4.14 -0.10 2.61 0.15 -1.26 -5.03 113.70 114.02 1q7i s SER 61 Ca 0.00 -0.49 0.11 0.00 0.70 0.00 0.00 55.95 56.27 1q7i s SER 61 Cb 0.00 -0.68 -0.15 0.00 -1.71 0.00 0.00 66.02 63.48 1q7i s SER 61 CO -0.00 0.17 0.08 0.00 1.20 0.00 0.00 173.24 174.69 1q7i n ALA 62 N 0.68 1.85 -1.98 5.45 0.00 -1.26 -4.48 120.51 120.77 1q7i n ALA 62 Ca -0.14 -0.67 -0.24 0.00 0.00 0.00 0.00 53.44 52.39 1q7i n ALA 62 Cb 0.53 -0.07 0.10 0.00 0.00 0.00 0.00 19.45 20.00 1q7i n ALA 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q7i s ASP 63 N -4.23 4.48 -0.31 0.00 1.01 -1.26 0.13 116.67 116.48 1q7i s ASP 63 Ca -0.05 -0.18 0.03 0.00 0.71 0.00 0.00 52.55 53.05 1q7i s ASP 63 Cb 0.04 -0.29 0.09 0.00 1.01 0.00 0.00 42.92 43.77 1q7i s ASP 63 CO 0.48 -1.77 0.02 0.00 0.21 0.00 0.00 175.17 174.11 1q7i s PRO 65 N 1.12 4.44 -0.26 0.00 0.04 -1.26 -5.01 135.00 134.07 1q7i s PRO 65 Ca 0.06 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 1q7i s PRO 65 Cb -0.19 -3.53 0.18 0.00 0.04 0.00 0.00 34.50 31.00 1q7i s PRO 65 CO -0.10 -0.26 1.28 0.50 0.04 0.00 0.00 177.00 178.46 1q7i s ARG 66 N 1.80 0.18 0.19 4.56 3.52 -1.26 -4.94 118.95 123.01 1q7i s ARG 66 Ca 0.48 0.06 -0.09 0.00 -0.13 0.00 0.00 55.73 56.05 1q7i s ARG 66 Cb -0.19 0.09 0.11 0.00 -1.56 0.00 0.00 34.95 33.40 1q7i s ARG 66 CO 0.19 -0.05 1.71 0.10 -0.81 0.00 0.00 175.30 176.44 1q7i h TYR 67 N 2.30 1.16 -0.02 5.12 -0.00 -2.05 -3.55 116.97 119.91 1q7i h TYR 67 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 58.73 58.47 1q7i h TYR 67 Cb 1.18 -0.33 0.00 0.00 0.00 0.00 0.00 36.73 37.58 1q7i h TYR 67 CO 0.22 0.94 0.00 0.72 -0.00 0.00 0.00 178.16 180.04