#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7i n LYS 2 N 0.00 0.99 0.00 1.61 0.00 -1.26 -5.18 118.16 114.32 1q7i n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1q7i n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1q7i n LYS 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1q7i n GLU 3 N 0.00 3.62 -1.55 -1.58 0.28 -1.26 -5.01 120.64 115.14 1q7i n GLU 3 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 1q7i n GLU 3 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1q7i n GLU 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1q7i n ASP 5 N 12.62 0.20 -4.22 0.00 -0.08 0.78 -4.78 116.55 121.08 1q7i n ASP 5 Ca 0.36 0.54 -0.17 0.00 -1.51 0.00 0.00 54.79 54.02 1q7i n ASP 5 Cb 0.42 -0.59 -0.10 0.00 2.34 0.00 0.00 41.12 43.19 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 -0.57 3.24 -3.77 0.00 3.41 -1.26 -4.97 113.62 109.70 1q7i n SER 7 Ca 0.00 -3.00 -0.13 0.00 -0.26 0.00 0.00 58.87 55.49 1q7i n SER 7 Cb 0.66 -0.48 -0.14 0.00 -0.26 0.00 0.00 64.21 63.99 1q7i n SER 7 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1q7i s SER 8 N -2.25 -0.11 0.12 4.04 1.04 -1.26 -5.03 113.70 110.25 1q7i s SER 8 Ca 0.37 0.28 0.01 0.00 0.48 0.00 0.00 55.95 57.09 1q7i s SER 8 Cb 0.31 0.20 -0.17 0.00 0.10 0.00 0.00 66.02 66.45 1q7i s SER 8 CO 0.07 -0.12 1.26 1.55 0.98 0.00 0.00 173.24 176.98 1q7i h PRO 9 N 6.84 0.17 -0.33 4.02 0.13 -1.93 -3.14 132.00 137.76 1q7i h PRO 9 Ca -0.38 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1q7i h PRO 9 Cb 1.16 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1q7i h PRO 9 CO 0.43 1.07 0.00 -1.91 -0.23 0.00 0.00 178.00 177.36 1q7i n GLU 10 N -3.52 1.47 -2.86 0.86 2.13 -1.26 -4.66 120.64 112.80 1q7i n GLU 10 Ca -0.04 -0.59 -0.41 0.00 0.66 0.00 0.00 57.16 56.78 1q7i n GLU 10 Cb 0.93 -1.25 -0.04 0.00 0.27 0.00 0.00 31.44 31.35 1q7i n GLU 10 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1q7i s ASN 11 N -0.81 7.16 -1.31 4.31 2.47 -1.19 -4.95 114.94 120.63 1q7i s ASN 11 Ca 0.11 1.41 -0.17 0.00 0.42 0.00 0.00 52.86 54.62 1q7i s ASN 11 Cb 0.06 -2.49 0.03 0.00 -1.45 0.00 0.00 41.25 37.40 1q7i s ASN 11 CO 0.06 -0.23 1.95 -0.81 -3.72 0.00 0.00 177.10 174.35 1q7i n PRO 12 N 4.07 2.80 0.00 0.43 -0.04 -1.26 -3.42 135.00 137.58 1q7i n PRO 12 Ca 0.03 -2.85 0.00 0.00 -0.04 0.00 0.00 63.50 60.64 1q7i n PRO 12 Cb 0.51 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 1q7i n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q7i n ASP 15 N 4.53 -0.02 0.15 0.00 -0.08 0.41 -4.38 116.55 117.16 1q7i n ASP 15 Ca -0.07 1.14 0.01 0.00 -1.51 0.00 0.00 54.79 54.36 1q7i n ASP 15 Cb 0.43 -0.91 0.21 0.00 2.34 0.00 0.00 41.12 43.19 1q7i n ASP 15 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q7i h ALA 16 N 2.95 0.94 -0.01 -1.67 0.00 -1.86 1.70 119.26 121.31 1q7i h ALA 16 Ca -0.50 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1q7i h ALA 16 Cb 1.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1q7i h ALA 16 CO 0.64 0.69 0.02 0.00 0.00 0.00 0.00 179.25 180.60 1q7i h ALA 17 N 1.45 1.19 0.00 0.00 0.00 -1.96 -2.95 119.26 117.00 1q7i h ALA 17 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1q7i h ALA 17 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1q7i h ALA 17 CO 0.07 -0.02 -0.34 -2.37 0.00 0.00 0.00 179.25 176.59 1q7i n THR 18 N -3.32 0.00 -2.01 0.00 5.66 -1.06 -4.99 114.28 108.57 1q7i n THR 18 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1q7i n THR 18 Cb 0.09 0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1q7i n THR 18 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1q7i s LYS 20 N -3.84 2.13 0.10 0.00 1.02 -0.93 -0.15 119.74 118.07 1q7i s LYS 20 Ca 0.00 -1.55 -0.32 0.00 0.02 0.00 0.00 55.97 54.12 1q7i s LYS 20 Cb 0.00 -2.04 -0.11 0.00 -0.52 0.00 0.00 37.83 35.16 1q7i s LYS 20 CO 0.00 0.31 1.84 1.28 -0.92 0.00 0.00 175.35 177.85 1q7i n LEU 21 N -0.86 3.96 -0.04 3.17 4.77 -1.26 0.16 117.00 126.89 1q7i n LEU 21 Ca -0.06 0.98 -0.22 0.00 -0.03 0.00 0.00 56.01 56.69 1q7i n LEU 21 Cb 0.60 -1.52 -0.13 0.00 -2.33 0.00 0.00 43.42 40.04 1q7i n LEU 21 CO 0.41 0.14 -0.64 -0.09 -1.33 0.00 0.00 177.39 175.87 1q7i h ARG 22 N 8.61 0.15 0.00 3.23 1.12 -1.57 -3.43 114.38 122.49 1q7i h ARG 22 Ca -0.47 -0.26 0.00 0.00 -1.11 0.00 0.00 59.98 58.15 1q7i h ARG 22 Cb 1.23 0.10 0.00 0.00 -0.01 0.00 0.00 29.97 31.28 1q7i h ARG 22 CO 0.94 1.12 0.00 -0.35 -3.11 0.00 0.00 179.97 178.58 1q7i n PRO 23 N -3.95 0.50 -0.19 0.20 -0.04 -1.26 -4.92 135.00 125.35 1q7i n PRO 23 Ca -0.31 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.18 1q7i n PRO 23 Cb 0.87 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.45 1q7i n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q7i n GLY 24 N 5.00 0.77 3.74 0.55 0.00 -1.26 -4.90 105.19 109.09 1q7i n GLY 24 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 0.23 2.52 0.37 4.61 0.00 -1.26 -4.85 120.51 122.13 1q7i n ALA 25 Ca 0.09 0.38 0.14 0.00 0.00 0.00 0.00 53.44 54.04 1q7i n ALA 25 Cb 0.33 -2.46 0.54 0.00 0.00 0.00 0.00 19.45 17.85 1q7i n ALA 25 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1q7i h GLN 26 N 4.94 0.00 -1.80 0.00 7.50 -1.90 -3.44 115.11 120.41 1q7i h GLN 26 Ca -0.47 0.00 0.01 0.00 0.50 0.00 0.00 58.65 58.69 1q7i h GLN 26 Cb 1.22 0.00 -0.23 0.00 0.05 0.00 0.00 27.48 28.53 1q7i h GLN 26 CO 0.81 0.00 0.30 0.00 -1.50 0.00 0.00 178.83 178.44 1q7i n GLY 28 N 2.05 -1.03 3.64 0.00 0.00 -1.26 -3.94 105.19 104.64 1q7i n GLY 28 Ca -0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1q7i n GLY 28 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1q7i s GLU 29 N -2.65 0.41 -0.01 1.61 2.12 -1.26 -4.75 118.70 114.16 1q7i s GLU 29 Ca -0.05 0.47 -0.29 0.00 0.36 0.00 0.00 54.97 55.46 1q7i s GLU 29 Cb 0.08 0.20 0.11 0.00 0.26 0.00 0.00 34.13 34.78 1q7i s GLU 29 CO 0.82 -0.05 1.28 0.20 -0.54 0.00 0.00 175.26 176.97 1q7i s GLY 30 N 0.12 -0.25 0.00 -1.50 0.00 -1.26 -4.59 107.32 99.85 1q7i s GLY 30 Ca 0.04 0.31 -0.23 0.00 0.00 0.00 0.00 44.72 44.84 1q7i s GLY 30 CO -0.08 3.11 1.30 1.41 0.00 0.00 0.00 173.10 178.84 1q7i h LEU 31 N 2.00 0.17 -6.39 0.66 3.38 -0.82 -3.34 115.31 110.97 1q7i h LEU 31 Ca -0.26 -0.48 -0.70 0.00 0.09 0.00 0.00 57.88 56.53 1q7i h LEU 31 Cb 1.19 -0.05 -0.35 0.00 0.09 0.00 0.00 40.66 41.54 1q7i h LEU 31 CO 0.30 0.62 0.08 0.00 0.09 0.00 0.00 178.44 179.53 1q7i n GLU 34 N 5.29 -0.23 -1.56 0.00 4.07 0.01 -4.56 120.64 123.67 1q7i n GLU 34 Ca -0.06 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.91 1q7i n GLU 34 Cb 0.49 0.00 -0.08 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 -0.84 0.51 -3.68 5.31 1.13 -1.26 -2.76 117.38 115.78 1q7i n GLN 35 Ca 0.00 -0.83 -0.22 0.00 -1.94 0.00 0.00 57.00 54.01 1q7i n GLN 35 Cb 0.00 -3.54 0.04 0.00 0.11 0.00 0.00 30.24 26.85 1q7i n GLN 35 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1q7i s LYS 37 N -5.96 0.84 -0.02 0.00 2.20 -1.11 -3.32 119.74 112.37 1q7i s LYS 37 Ca 0.07 0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.55 1q7i s LYS 37 Cb -0.03 0.39 -0.06 0.00 -1.51 0.00 0.00 37.83 36.61 1q7i s LYS 37 CO 0.80 -0.23 1.67 -0.06 -0.36 0.00 0.00 175.35 177.17 1q7i s PHE 38 N -0.99 2.03 1.20 4.03 0.08 -1.26 -0.81 117.98 122.26 1q7i s PHE 38 Ca -0.10 0.18 -0.13 0.00 0.12 0.00 0.00 56.93 57.00 1q7i s PHE 38 Cb -0.03 -3.94 0.29 0.00 -0.57 0.00 0.00 43.02 38.77 1q7i s PHE 38 CO 0.06 -3.95 0.94 -1.13 -0.10 0.00 0.00 175.22 171.04 1q7i n SER 39 N 6.81 -1.95 -4.85 1.36 3.41 -1.04 -4.69 113.62 112.67 1q7i n SER 39 Ca 0.17 -0.21 -0.38 0.00 -0.26 0.00 0.00 58.87 58.19 1q7i n SER 39 Cb 0.42 -1.22 -0.06 0.00 -0.26 0.00 0.00 64.21 63.09 1q7i n SER 39 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1q7i s ARG 40 N -4.32 3.75 1.06 4.33 3.00 -1.26 -4.20 118.95 121.31 1q7i s ARG 40 Ca 0.68 0.22 -0.23 0.00 0.00 0.00 0.00 55.73 56.39 1q7i s ARG 40 Cb -0.25 -3.20 -0.04 0.00 0.00 0.00 0.00 34.95 31.46 1q7i s ARG 40 CO 0.66 0.72 -0.76 0.00 0.00 0.00 0.00 175.30 175.92 1q7i n ALA 41 N 1.84 -4.98 -2.08 2.13 0.00 -0.73 -3.24 120.51 113.44 1q7i n ALA 41 Ca -0.16 -1.33 -0.09 0.00 0.00 0.00 0.00 53.44 51.85 1q7i n ALA 41 Cb 0.53 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 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 2.75 0.10 3.58 0.00 0.00 0.58 -4.80 105.19 107.40 1q7i n GLY 42 Ca -0.01 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.29 3.34 -0.72 1.61 2.47 -1.20 -4.79 119.74 116.16 1q7i s LYS 43 Ca 0.00 -0.47 -0.27 0.00 -1.56 0.00 0.00 55.97 53.67 1q7i s LYS 43 Cb 0.00 -2.85 0.03 0.00 -1.46 0.00 0.00 37.83 33.55 1q7i s LYS 43 CO 0.00 0.46 1.25 -1.50 0.16 0.00 0.00 175.35 175.73 1q7i s ILE 44 N -0.23 3.78 -2.00 5.43 1.10 -1.25 0.11 121.20 128.14 1q7i s ILE 44 Ca 0.05 0.43 0.29 0.00 -0.51 0.00 0.00 60.65 60.91 1q7i s ILE 44 Cb -0.13 -4.89 0.83 0.00 0.15 0.00 0.00 42.46 38.43 1q7i s ILE 44 CO 0.02 -1.78 2.12 0.00 -2.11 0.00 0.00 174.94 173.19 1q7i s ARG 46 N -2.00 0.18 -0.53 0.00 0.52 -1.25 -4.97 118.95 110.89 1q7i s ARG 46 Ca 0.44 0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 55.71 1q7i s ARG 46 Cb 0.20 0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.90 1q7i s ARG 46 CO 0.34 -0.16 1.20 -1.50 0.02 0.00 0.00 175.30 175.20 1q7i s ILE 47 N 2.80 4.06 0.14 1.52 1.10 -1.26 -2.96 121.20 126.59 1q7i s ILE 47 Ca -0.02 1.00 -0.32 0.00 -0.51 0.00 0.00 60.65 60.80 1q7i s ILE 47 Cb -0.09 -4.64 -0.12 0.00 0.15 0.00 0.00 42.46 37.76 1q7i s ILE 47 CO -0.12 -1.19 1.74 0.00 -2.11 0.00 0.00 174.94 173.26 1q7i n ALA 48 N 8.34 2.01 -2.84 1.50 0.00 -1.26 -4.90 120.51 123.35 1q7i n ALA 48 Ca 0.10 0.37 -0.23 0.00 0.00 0.00 0.00 53.44 53.69 1q7i n ALA 48 Cb 0.49 -2.50 -0.02 0.00 0.00 0.00 0.00 19.45 17.42 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 4.66 2.56 0.00 0.00 1.74 -1.26 -4.84 116.66 119.52 1q7i n ARG 49 Ca 0.18 -4.27 0.00 0.00 -0.77 0.00 0.00 57.85 52.98 1q7i n ARG 49 Cb 0.33 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 1q7i n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q7i n GLY 50 N -0.17 -1.20 3.18 -0.13 0.00 -1.26 -5.05 105.19 100.56 1q7i n GLY 50 Ca 0.29 0.61 -0.22 0.00 0.00 0.00 0.00 46.02 46.70 1q7i n GLY 50 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q7i n ASP 51 N 0.00 -6.69 -3.61 1.61 -0.08 -1.26 -5.01 116.55 101.51 1q7i n ASP 51 Ca 0.00 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 1q7i n ASP 51 Cb 0.00 -3.33 -0.01 0.00 2.34 0.00 0.00 41.12 40.12 1q7i n ASP 51 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 1q7i s TRP 52 N -1.88 -0.01 1.16 -0.67 -2.14 -1.26 -5.16 118.94 108.97 1q7i s TRP 52 Ca 0.28 0.00 -0.13 0.00 2.66 0.00 0.00 56.10 58.92 1q7i s TRP 52 Cb -0.05 0.50 0.28 0.00 -3.10 0.00 0.00 33.47 31.11 1q7i s TRP 52 CO 0.76 -0.03 1.03 1.21 -2.66 0.00 0.00 176.95 177.27 1q7i s ASN 53 N -2.43 1.04 0.28 -2.66 2.47 -1.26 -4.81 114.94 107.58 1q7i s ASN 53 Ca 0.13 1.54 0.03 0.00 0.42 0.00 0.00 52.86 54.98 1q7i s ASN 53 Cb 0.03 -2.30 0.03 0.00 -1.45 0.00 0.00 41.25 37.55 1q7i s ASN 53 CO -0.04 -4.17 0.23 -0.90 -3.72 0.00 0.00 177.10 168.50 1q7i n ASP 54 N -4.90 1.82 -4.10 -4.21 5.68 -1.26 -4.47 116.55 105.11 1q7i n ASP 54 Ca 0.03 -1.95 -0.31 0.00 -0.50 0.00 0.00 54.79 52.06 1q7i n ASP 54 Cb 0.54 -0.04 -0.16 0.00 -1.14 0.00 0.00 41.12 40.32 1q7i n ASP 54 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1q7i s ASP 55 N -2.67 2.87 0.22 -1.12 1.01 -1.16 -4.95 116.67 110.88 1q7i s ASP 55 Ca 0.17 -0.55 0.06 0.00 0.71 0.00 0.00 52.55 52.94 1q7i s ASP 55 Cb -0.01 -1.32 -0.03 0.00 1.01 0.00 0.00 42.92 42.57 1q7i s ASP 55 CO 0.11 0.02 0.24 -0.60 0.21 0.00 0.00 175.17 175.15 1q7i s ARG 56 N 1.09 3.12 0.33 8.23 6.06 -1.25 -0.92 118.95 135.60 1q7i s ARG 56 Ca -0.02 -0.89 0.09 0.00 -2.50 0.00 0.00 55.73 52.41 1q7i s ARG 56 Cb -0.14 -2.71 -0.05 0.00 0.06 0.00 0.00 34.95 32.11 1q7i s ARG 56 CO -0.06 0.44 0.04 0.00 -2.50 0.00 0.00 175.30 173.22 1q7i s THR 58 N -2.46 2.04 -2.17 0.00 -4.23 -1.26 -0.31 115.64 107.25 1q7i s THR 58 Ca 0.35 -0.67 0.18 0.00 -1.18 0.00 0.00 61.69 60.37 1q7i s THR 58 Cb -0.02 -2.37 0.43 0.00 1.34 0.00 0.00 72.50 71.88 1q7i s THR 58 CO 0.20 0.00 1.51 0.61 -0.54 0.00 0.00 174.62 176.40 1q7i n GLY 59 N -2.80 0.04 0.39 3.99 0.00 -1.26 -1.78 105.19 103.78 1q7i n GLY 59 Ca 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1q7i n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1q7i n GLN 60 N 0.11 0.00 -4.98 1.61 6.02 -1.26 -4.67 117.38 114.20 1q7i n GLN 60 Ca 0.14 -0.82 -0.32 0.00 -0.01 0.00 0.00 57.00 55.99 1q7i n GLN 60 Cb 0.26 -0.46 -0.14 0.00 1.02 0.00 0.00 30.24 30.92 1q7i n GLN 60 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1q7i s SER 61 N -0.72 3.78 -0.02 1.08 0.15 -1.25 -5.00 113.70 111.73 1q7i s SER 61 Ca 0.00 -0.28 0.14 0.00 0.70 0.00 0.00 55.95 56.51 1q7i s SER 61 Cb 0.00 -0.82 -0.21 0.00 -1.71 0.00 0.00 66.02 63.29 1q7i s SER 61 CO 0.00 0.32 0.34 0.00 1.20 0.00 0.00 173.24 175.10 1q7i n ALA 62 N 2.48 2.68 -2.77 5.45 0.00 -1.26 -4.30 120.51 122.78 1q7i n ALA 62 Ca -0.17 -0.34 -0.22 0.00 0.00 0.00 0.00 53.44 52.71 1q7i n ALA 62 Cb 0.52 -0.48 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.42 5.24 -0.30 0.00 1.11 -1.26 -0.07 116.67 117.96 1q7i s ASP 63 Ca -0.04 -0.36 -0.05 0.00 0.18 0.00 0.00 52.55 52.28 1q7i s ASP 63 Cb 0.09 -1.24 0.03 0.00 1.07 0.00 0.00 42.92 42.87 1q7i s ASP 63 CO 0.57 -0.02 0.05 0.00 1.18 0.00 0.00 175.17 176.95 1q7i n PRO 65 N 4.76 2.03 0.00 0.00 -0.04 -1.26 -4.83 135.00 135.66 1q7i n PRO 65 Ca -0.14 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1q7i n PRO 65 Cb 0.46 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 1q7i n PRO 65 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1q7i n ARG 66 N 1.97 1.32 0.06 0.54 5.12 -1.26 -5.12 116.66 119.29 1q7i n ARG 66 Ca 0.41 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.33 1q7i n ARG 66 Cb 0.79 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.09 1q7i n ARG 66 CO 0.00 0.00 0.00 2.48 -1.93 0.00 0.00 177.63 178.18 1q7i n TYR 67 N 0.00 -1.95 0.23 -1.55 4.11 -1.26 -5.17 117.16 111.57 1q7i n TYR 67 Ca 0.00 0.33 0.03 0.00 -0.00 0.00 0.00 57.90 58.26 1q7i n TYR 67 Cb 0.00 1.06 0.02 0.00 -0.00 0.00 0.00 39.34 40.43 1q7i n TYR 67 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58