#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 3.92 -1.86 1.61 4.81 -1.26 -4.93 118.16 120.45 1q7i n LYS 2 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1q7i n LYS 2 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1q7i n LYS 2 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1q7i s GLU 3 N 3.67 2.19 -0.35 1.64 8.01 -1.26 -4.52 118.70 128.09 1q7i s GLU 3 Ca 0.00 0.04 0.02 0.00 0.01 0.00 0.00 54.97 55.04 1q7i s GLU 3 Cb 0.00 -4.94 0.30 0.00 -4.31 0.00 0.00 34.13 25.18 1q7i s GLU 3 CO 0.00 -3.77 1.29 0.00 0.01 0.00 0.00 175.26 172.78 1q7i n ASP 5 N 0.94 0.14 -4.50 0.00 -0.08 0.26 -4.38 116.55 108.93 1q7i n ASP 5 Ca -0.01 1.24 -0.24 0.00 -1.51 0.00 0.00 54.79 54.26 1q7i n ASP 5 Cb 0.73 -0.61 -0.10 0.00 2.34 0.00 0.00 41.12 43.47 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 -0.71 0.29 -4.61 0.00 3.41 -1.26 -4.90 113.62 105.84 1q7i n SER 7 Ca -0.05 -0.04 -0.34 0.00 -0.26 0.00 0.00 58.87 58.17 1q7i n SER 7 Cb 0.63 1.91 -0.10 0.00 -0.26 0.00 0.00 64.21 66.39 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 -4.33 5.40 0.00 4.04 0.01 -1.26 -4.96 113.70 112.60 1q7i s SER 8 Ca -0.07 0.05 0.22 0.00 1.31 0.00 0.00 55.95 57.45 1q7i s SER 8 Cb 0.13 -1.87 1.29 0.00 0.21 0.00 0.00 66.02 65.78 1q7i s SER 8 CO 0.86 0.20 1.79 -0.81 0.41 0.00 0.00 173.24 175.69 1q7i n PRO 9 N 3.34 0.93 -0.00 12.44 -0.04 -1.26 -2.96 135.00 147.45 1q7i n PRO 9 Ca -0.17 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.37 1q7i n PRO 9 Cb 0.52 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.86 1.02 -1.88 0.54 4.71 -1.26 -4.40 120.64 118.50 1q7i n GLU 10 Ca 0.16 -0.08 -0.42 0.00 -0.01 0.00 0.00 57.16 56.82 1q7i n GLU 10 Cb 0.07 -1.35 -0.02 0.00 -1.01 0.00 0.00 31.44 29.13 1q7i n GLU 10 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1q7i s ASN 11 N -3.27 6.51 0.37 1.62 3.84 -1.16 -4.88 114.94 117.98 1q7i s ASN 11 Ca 0.00 2.76 0.20 0.00 0.21 0.00 0.00 52.86 56.02 1q7i s ASN 11 Cb 0.12 -2.61 0.34 0.00 -0.55 0.00 0.00 41.25 38.54 1q7i s ASN 11 CO 0.70 -0.84 1.58 1.55 -2.79 0.00 0.00 177.10 177.30 1q7i h PRO 12 N 5.86 0.00 0.00 0.43 0.13 -1.92 -3.13 132.00 133.36 1q7i h PRO 12 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1q7i h PRO 12 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1q7i h PRO 12 CO 0.86 0.28 0.00 0.00 -0.23 0.00 0.00 178.00 178.91 1q7i s ASP 15 N 1.00 0.62 0.47 0.00 -1.08 -0.12 -4.20 116.67 113.36 1q7i s ASP 15 Ca 0.00 0.40 0.32 0.00 -0.52 0.00 0.00 52.55 52.75 1q7i s ASP 15 Cb 0.00 0.38 1.49 0.00 -1.46 0.00 0.00 42.92 43.34 1q7i s ASP 15 CO 0.00 -0.24 1.96 0.00 0.52 0.00 0.00 175.17 177.41 1q7i h ALA 16 N 8.31 1.00 0.04 3.66 0.00 -1.88 0.88 119.26 131.27 1q7i h ALA 16 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1q7i h ALA 16 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1q7i h ALA 16 CO 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.38 1q7i h ALA 17 N 2.07 -0.15 -0.21 0.00 0.00 -1.94 -3.33 119.26 115.69 1q7i h ALA 17 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1q7i h ALA 17 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1q7i h ALA 17 CO 0.00 -0.14 0.00 -2.37 0.00 0.00 0.00 179.25 176.74 1q7i n THR 18 N -2.96 0.28 -4.09 0.00 5.66 -1.22 -4.91 114.28 107.04 1q7i n THR 18 Ca -0.01 -0.31 -0.42 0.00 -3.05 0.00 0.00 64.05 60.26 1q7i n THR 18 Cb 0.02 0.18 -0.00 0.00 -1.55 0.00 0.00 70.33 68.98 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 -7.29 1.05 0.01 0.00 1.02 -1.09 -0.58 119.74 112.86 1q7i s LYS 20 Ca 0.38 -0.40 -0.36 0.00 0.02 0.00 0.00 55.97 55.62 1q7i s LYS 20 Cb -0.20 0.48 -0.14 0.00 -0.52 0.00 0.00 37.83 37.44 1q7i s LYS 20 CO 0.97 -0.46 1.63 1.28 -0.92 0.00 0.00 175.35 177.84 1q7i n LEU 21 N -0.31 2.73 -0.07 3.17 4.77 -1.26 -0.95 117.00 125.07 1q7i n LEU 21 Ca -0.12 1.06 -0.17 0.00 -0.03 0.00 0.00 56.01 56.75 1q7i n LEU 21 Cb 0.63 -1.31 -0.13 0.00 -2.33 0.00 0.00 43.42 40.28 1q7i n LEU 21 CO 0.11 -0.43 0.03 -0.09 -1.33 0.00 0.00 177.39 175.68 1q7i h ARG 22 N 6.65 0.02 0.00 3.23 2.43 -1.68 -3.46 114.38 121.58 1q7i h ARG 22 Ca -0.47 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.56 1q7i h ARG 22 Cb 1.29 0.01 0.04 0.00 -0.42 0.00 0.00 29.97 30.89 1q7i h ARG 22 CO 0.89 1.02 0.10 -0.35 -1.51 0.00 0.00 179.97 180.11 1q7i n PRO 23 N -4.50 -0.29 -0.36 0.20 -0.04 -1.26 -4.93 135.00 123.82 1q7i n PRO 23 Ca -0.18 -0.50 0.03 0.00 -0.04 0.00 0.00 63.50 62.80 1q7i n PRO 23 Cb 0.58 -0.32 0.17 0.00 -0.04 0.00 0.00 33.50 33.88 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 2.91 2.01 2.26 0.55 0.00 -1.26 -4.92 105.19 106.75 1q7i n GLY 24 Ca 0.04 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 0.27 -3.70 0.38 4.61 0.00 -1.26 -4.95 120.51 115.85 1q7i n ALA 25 Ca 0.11 -1.08 0.04 0.00 0.00 0.00 0.00 53.44 52.52 1q7i n ALA 25 Cb 0.62 -0.10 0.01 0.00 0.00 0.00 0.00 19.45 19.98 1q7i n ALA 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q7i n GLN 26 N -4.61 1.51 -3.61 0.00 6.02 -1.07 -4.93 117.38 110.70 1q7i n GLN 26 Ca 0.10 -0.73 0.03 0.00 -0.01 0.00 0.00 57.00 56.39 1q7i n GLN 26 Cb 0.42 -1.09 -0.00 0.00 1.02 0.00 0.00 30.24 30.59 1q7i n GLN 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1q7i n GLY 28 N -0.52 -0.54 0.00 0.00 0.00 -1.26 -4.43 105.19 98.44 1q7i n GLY 28 Ca -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1q7i n GLY 28 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1q7i n GLU 29 N -2.13 0.00 -2.40 1.61 0.28 -1.26 -4.78 120.64 111.96 1q7i n GLU 29 Ca -0.09 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.92 1q7i n GLU 29 Cb 0.55 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 1q7i n GLU 29 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1q7i n GLY 30 N -0.02 0.35 0.01 -1.84 0.00 -1.26 -4.92 105.19 97.51 1q7i n GLY 30 Ca 0.00 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.31 1q7i n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q7i n LEU 31 N 0.00 0.21 -2.97 0.99 7.99 0.10 -4.21 117.00 119.12 1q7i n LEU 31 Ca 0.01 0.28 -0.14 0.00 -0.01 0.00 0.00 56.01 56.15 1q7i n LEU 31 Cb 0.12 -0.38 0.02 0.00 -0.11 0.00 0.00 43.42 43.07 1q7i n LEU 31 CO 0.03 0.05 0.03 0.00 -1.51 0.00 0.00 177.39 175.98 1q7i n GLU 34 N 5.23 0.74 -1.58 0.00 -0.00 0.10 -4.72 120.64 120.41 1q7i n GLU 34 Ca -0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 57.16 56.97 1q7i n GLU 34 Cb 0.50 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.86 1q7i n GLU 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1q7i s GLN 35 N -0.63 1.56 -1.15 3.44 2.00 -1.26 -2.83 119.66 120.79 1q7i s GLN 35 Ca 0.00 0.37 -0.07 0.00 -2.00 0.00 0.00 55.36 53.67 1q7i s GLN 35 Cb 0.00 -4.81 0.01 0.00 0.80 0.00 0.00 33.01 29.01 1q7i s GLN 35 CO 0.00 -4.56 1.00 0.00 -0.50 0.00 0.00 175.29 171.23 1q7i s LYS 37 N -5.99 1.18 -0.21 0.00 2.20 -1.13 -2.58 119.74 113.21 1q7i s LYS 37 Ca 0.43 -0.19 -0.29 0.00 -0.36 0.00 0.00 55.97 55.56 1q7i s LYS 37 Cb -0.19 0.55 -0.01 0.00 -1.51 0.00 0.00 37.83 36.67 1q7i s LYS 37 CO 0.63 -0.47 1.30 -0.06 -0.36 0.00 0.00 175.35 176.40 1q7i s PHE 38 N -2.78 2.73 1.10 4.03 0.08 -1.26 0.01 117.98 121.89 1q7i s PHE 38 Ca -0.03 0.92 -0.18 0.00 0.12 0.00 0.00 56.93 57.75 1q7i s PHE 38 Cb -0.01 -3.67 0.09 0.00 -0.57 0.00 0.00 43.02 38.86 1q7i s PHE 38 CO -0.04 -1.83 0.01 0.43 -0.10 0.00 0.00 175.22 173.69 1q7i n SER 39 N 7.05 -2.37 -4.82 1.36 7.64 -0.43 -4.69 113.62 117.37 1q7i n SER 39 Ca 0.15 -0.07 -0.35 0.00 1.01 0.00 0.00 58.87 59.60 1q7i n SER 39 Cb 0.45 -0.97 -0.06 0.00 -1.01 0.00 0.00 64.21 62.62 1q7i n SER 39 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1q7i s ARG 40 N -3.43 4.23 0.45 1.43 0.52 -1.26 -4.43 118.95 116.45 1q7i s ARG 40 Ca 0.56 0.88 -0.06 0.00 -0.52 0.00 0.00 55.73 56.59 1q7i s ARG 40 Cb -0.12 -2.73 0.10 0.00 0.52 0.00 0.00 34.95 32.71 1q7i s ARG 40 CO 0.66 0.31 0.21 0.00 0.02 0.00 0.00 175.30 176.50 1q7i n ALA 41 N 0.38 -1.31 -1.77 2.13 0.00 -0.87 -2.77 120.51 116.31 1q7i n ALA 41 Ca -0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 53.44 52.93 1q7i n ALA 41 Cb 0.52 -0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.92 0.56 3.74 0.00 0.00 0.17 -4.77 105.19 103.97 1q7i n GLY 42 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.81 4.35 -0.69 1.61 2.47 -1.11 -4.74 119.74 117.82 1q7i s LYS 43 Ca 0.00 0.73 -0.27 0.00 -1.56 0.00 0.00 55.97 54.87 1q7i s LYS 43 Cb 0.00 -3.38 0.02 0.00 -1.46 0.00 0.00 37.83 33.00 1q7i s LYS 43 CO 0.00 0.26 1.42 0.42 0.16 0.00 0.00 175.35 177.61 1q7i s ILE 44 N 0.18 3.65 -1.73 5.43 -1.09 -1.26 -0.39 121.20 125.99 1q7i s ILE 44 Ca 0.32 0.41 0.26 0.00 -2.23 0.00 0.00 60.65 59.41 1q7i s ILE 44 Cb -0.18 -4.65 0.27 0.00 -1.58 0.00 0.00 42.46 36.33 1q7i s ILE 44 CO 0.16 -1.56 1.58 0.00 -1.23 0.00 0.00 174.94 173.89 1q7i s ARG 46 N -2.51 1.30 -0.25 0.00 0.52 -1.26 -5.01 118.95 111.74 1q7i s ARG 46 Ca 0.24 -1.11 0.02 0.00 -0.52 0.00 0.00 55.73 54.37 1q7i s ARG 46 Cb 0.19 0.44 0.06 0.00 0.52 0.00 0.00 34.95 36.16 1q7i s ARG 46 CO 0.52 -0.52 -0.09 -1.50 0.02 0.00 0.00 175.30 173.73 1q7i s ILE 47 N -3.95 2.00 0.02 1.52 2.07 -1.26 -4.17 121.20 117.42 1q7i s ILE 47 Ca 0.16 -1.53 -0.30 0.00 -1.41 0.00 0.00 60.65 57.57 1q7i s ILE 47 Cb 0.01 -2.15 -0.07 0.00 0.13 0.00 0.00 42.46 40.38 1q7i s ILE 47 CO 0.01 -0.05 1.68 0.00 -1.91 0.00 0.00 174.94 174.67 1q7i s ALA 48 N 1.18 3.65 -0.01 1.50 0.00 -1.26 -4.83 121.76 121.98 1q7i s ALA 48 Ca -0.08 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.01 1q7i s ALA 48 Cb -0.20 -3.73 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 1q7i s ALA 48 CO -0.05 -1.25 0.03 0.54 0.00 0.00 0.00 175.76 175.03 1q7i n ARG 49 N 6.33 0.99 -1.11 0.00 5.12 -1.26 -4.71 116.66 122.01 1q7i n ARG 49 Ca 0.17 -0.01 -0.16 0.00 -1.93 0.00 0.00 57.85 55.91 1q7i n ARG 49 Cb 0.41 -1.04 -0.10 0.00 -1.16 0.00 0.00 32.46 30.57 1q7i n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q7i n GLY 50 N 2.53 3.48 2.94 -0.13 0.00 -1.26 -4.85 105.19 107.90 1q7i n GLY 50 Ca -0.01 -1.32 -0.01 0.00 0.00 0.00 0.00 46.02 44.67 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 1.73 -5.66 0.00 1.61 2.03 -1.26 -4.99 116.55 110.01 1q7i n ASP 51 Ca 0.40 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.71 1q7i n ASP 51 Cb 0.74 -2.97 0.00 0.00 -0.72 0.00 0.00 41.12 38.17 1q7i n ASP 51 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1q7i n TRP 52 N 1.83 0.00 -1.40 -0.67 2.14 -1.26 -5.15 117.44 112.93 1q7i n TRP 52 Ca -0.11 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.17 1q7i n TRP 52 Cb 0.27 0.00 0.16 0.00 -0.81 0.00 0.00 31.31 30.93 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 -1.18 2.97 0.28 -0.67 -0.87 -1.26 -4.82 114.94 109.39 1q7i s ASN 53 Ca 0.00 0.97 0.03 0.00 -1.57 0.00 0.00 52.86 52.29 1q7i s ASN 53 Cb 0.00 -1.52 0.03 0.00 -0.02 0.00 0.00 41.25 39.74 1q7i s ASN 53 CO 0.00 -2.89 0.25 0.47 -2.57 0.00 0.00 177.10 172.36 1q7i n ASP 54 N -3.99 1.71 -4.83 -1.22 9.92 -1.26 -4.46 116.55 112.42 1q7i n ASP 54 Ca 0.07 -1.92 -0.35 0.00 -0.53 0.00 0.00 54.79 52.06 1q7i n ASP 54 Cb 0.59 -0.06 -0.07 0.00 -0.64 0.00 0.00 41.12 40.94 1q7i n ASP 54 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1q7i s ASP 55 N -2.68 6.00 0.11 -2.24 -1.08 -1.25 -4.69 116.67 110.84 1q7i s ASP 55 Ca 0.19 0.30 0.08 0.00 -0.52 0.00 0.00 52.55 52.60 1q7i s ASP 55 Cb -0.02 -1.83 -0.04 0.00 -1.46 0.00 0.00 42.92 39.58 1q7i s ASP 55 CO 0.12 0.33 -0.20 -0.13 0.52 0.00 0.00 175.17 175.81 1q7i s ARG 56 N -1.43 1.12 0.41 4.34 1.81 -1.25 -2.65 118.95 121.30 1q7i s ARG 56 Ca 0.20 -1.18 0.07 0.00 -1.72 0.00 0.00 55.73 53.10 1q7i s ARG 56 Cb -0.12 -1.33 0.01 0.00 -0.45 0.00 0.00 34.95 33.06 1q7i s ARG 56 CO 0.10 0.30 0.57 0.00 -0.68 0.00 0.00 175.30 175.59 1q7i n THR 58 N -1.85 0.00 0.03 0.00 -2.24 -1.26 0.42 114.28 109.38 1q7i n THR 58 Ca 0.07 -0.72 0.03 0.00 -2.27 0.00 0.00 64.05 61.16 1q7i n THR 58 Cb 0.59 -1.18 0.21 0.00 -2.10 0.00 0.00 70.33 67.84 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 1.39 2.28 0.42 3.38 0.00 -1.26 -2.04 105.19 109.35 1q7i n GLY 59 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.31 0.00 -4.60 1.61 10.64 -1.26 -4.78 117.38 119.30 1q7i n GLN 60 Ca 0.14 -0.08 -0.32 0.00 -1.83 0.00 0.00 57.00 54.91 1q7i n GLN 60 Cb 0.74 -0.04 -0.16 0.00 -0.86 0.00 0.00 30.24 29.92 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 -0.07 3.09 -0.01 2.61 0.15 -1.25 -5.00 113.70 113.22 1q7i s SER 61 Ca 0.00 -0.60 -0.06 0.00 0.70 0.00 0.00 55.95 55.99 1q7i s SER 61 Cb 0.00 -1.44 -0.29 0.00 -1.71 0.00 0.00 66.02 62.58 1q7i s SER 61 CO 0.00 0.07 0.81 0.00 1.20 0.00 0.00 173.24 175.32 1q7i h ALA 62 N 7.40 0.22 -2.20 5.45 0.00 -1.93 -3.42 119.26 124.78 1q7i h ALA 62 Ca -0.34 -1.11 -0.46 0.00 0.00 0.00 0.00 54.91 53.00 1q7i h ALA 62 Cb 1.18 0.33 0.12 0.00 0.00 0.00 0.00 17.79 19.42 1q7i h ALA 62 CO 0.56 1.09 0.35 -0.51 0.00 0.00 0.00 179.25 180.74 1q7i s ASP 63 N -7.09 4.01 -0.06 0.00 1.01 -1.26 0.02 116.67 113.30 1q7i s ASP 63 Ca -0.11 0.40 0.01 0.00 0.71 0.00 0.00 52.55 53.57 1q7i s ASP 63 Cb 0.06 -0.74 0.02 0.00 1.01 0.00 0.00 42.92 43.27 1q7i s ASP 63 CO 0.86 -2.17 -0.07 0.00 0.21 0.00 0.00 175.17 174.00 1q7i n PRO 65 N 4.21 0.69 -4.36 0.00 -0.04 -1.26 -5.06 135.00 129.18 1q7i n PRO 65 Ca -0.21 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.90 1q7i n PRO 65 Cb 0.51 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.87 1q7i n PRO 65 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1q7i s ARG 66 N -0.81 3.06 0.00 0.54 1.70 -1.26 -5.00 118.95 117.17 1q7i s ARG 66 Ca 0.00 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 54.85 1q7i s ARG 66 Cb 0.00 -2.82 0.00 0.00 -0.57 0.00 0.00 34.95 31.56 1q7i s ARG 66 CO 0.00 0.66 0.00 0.98 -1.08 0.00 0.00 175.30 175.86 1q7i n TYR 67 N 2.26 0.00 -0.72 5.89 4.19 -1.26 -5.10 117.16 122.42 1q7i n TYR 67 Ca -0.18 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.03 1q7i n TYR 67 Cb 0.54 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.37 1q7i n TYR 67 CO 0.00 0.00 0.00 -2.39 0.91 0.00 0.00 176.86 175.38