#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 0.34 -0.34 1.61 -2.85 -1.26 -5.06 119.74 112.18 1q7i s LYS 2 Ca 0.00 -0.53 0.15 0.00 -1.00 0.00 0.00 55.97 54.59 1q7i s LYS 2 Cb 0.00 -0.07 0.45 0.00 -2.06 0.00 0.00 37.83 36.16 1q7i s LYS 2 CO 0.00 -0.00 1.00 -0.85 0.10 0.00 0.00 175.35 175.60 1q7i n GLU 3 N 1.87 1.74 -3.18 1.78 -0.00 -1.26 -4.90 120.64 116.69 1q7i n GLU 3 Ca -0.21 -3.57 -0.19 0.00 -0.00 0.00 0.00 57.16 53.19 1q7i n GLU 3 Cb 0.56 -1.51 -0.04 0.00 -0.00 0.00 0.00 31.44 30.45 1q7i n GLU 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1q7i n ASP 5 N 0.60 0.00 -4.58 0.00 -0.08 -1.23 -4.34 116.55 106.93 1q7i n ASP 5 Ca 0.23 0.74 -0.26 0.00 -1.51 0.00 0.00 54.79 54.00 1q7i n ASP 5 Cb 0.62 -0.32 -0.10 0.00 2.34 0.00 0.00 41.12 43.66 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 -0.87 0.53 -4.11 0.00 7.64 -1.26 -4.70 113.62 110.85 1q7i n SER 7 Ca -0.05 -1.16 -0.29 0.00 1.01 0.00 0.00 58.87 58.38 1q7i n SER 7 Cb 0.64 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.67 1q7i n SER 7 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1q7i s SER 8 N -0.16 2.58 0.00 6.43 1.04 -1.26 -4.99 113.70 117.35 1q7i s SER 8 Ca 0.00 -0.46 0.08 0.00 0.48 0.00 0.00 55.95 56.05 1q7i s SER 8 Cb 0.00 -1.18 0.50 0.00 0.10 0.00 0.00 66.02 65.44 1q7i s SER 8 CO 0.00 0.06 1.28 -0.81 0.98 0.00 0.00 173.24 174.76 1q7i n PRO 9 N 3.94 0.96 -0.44 4.02 -0.04 -1.26 -3.17 135.00 139.01 1q7i n PRO 9 Ca -0.20 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.33 1q7i n PRO 9 Cb 0.52 -1.14 0.18 0.00 -0.04 0.00 0.00 33.50 33.02 1q7i n PRO 9 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1q7i n GLU 10 N -0.64 1.42 -4.26 0.54 0.28 -1.26 -4.96 120.64 111.76 1q7i n GLU 10 Ca 0.06 -2.99 -0.32 0.00 -0.16 0.00 0.00 57.16 53.75 1q7i n GLU 10 Cb 0.03 -1.52 -0.09 0.00 1.43 0.00 0.00 31.44 31.29 1q7i n GLU 10 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1q7i s ASN 11 N -3.05 5.11 0.15 -1.84 2.47 -1.19 -5.01 114.94 111.58 1q7i s ASN 11 Ca 0.35 -0.03 0.03 0.00 0.42 0.00 0.00 52.86 53.64 1q7i s ASN 11 Cb 0.33 -1.32 -0.08 0.00 -1.45 0.00 0.00 41.25 38.73 1q7i s ASN 11 CO -0.04 0.26 1.33 1.55 -3.72 0.00 0.00 177.10 176.49 1q7i h PRO 12 N 4.21 0.14 -1.57 0.43 0.13 -1.95 -3.24 132.00 130.14 1q7i h PRO 12 Ca -0.49 -0.18 -0.46 0.00 -0.87 0.00 0.00 66.00 64.00 1q7i h PRO 12 Cb 1.17 0.06 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 1q7i h PRO 12 CO 0.58 0.98 0.54 0.00 -0.23 0.00 0.00 178.00 179.87 1q7i s ASP 15 N -2.64 3.70 -0.05 0.00 -1.08 0.09 -4.22 116.67 112.47 1q7i s ASP 15 Ca 0.02 -1.03 0.07 0.00 -0.52 0.00 0.00 52.55 51.08 1q7i s ASP 15 Cb 0.03 -1.33 0.28 0.00 -1.46 0.00 0.00 42.92 40.44 1q7i s ASP 15 CO -0.09 -0.15 1.07 0.00 0.52 0.00 0.00 175.17 176.52 1q7i n ALA 16 N 4.61 2.78 0.08 3.66 0.00 -1.26 -1.04 120.51 129.34 1q7i n ALA 16 Ca -0.15 -0.62 0.01 0.00 0.00 0.00 0.00 53.44 52.68 1q7i n ALA 16 Cb 0.45 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 1q7i n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q7i n ALA 17 N 0.27 2.22 -1.16 0.00 0.00 -1.26 -4.69 120.51 115.89 1q7i n ALA 17 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1q7i n ALA 17 Cb 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1q7i n ALA 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1q7i n THR 18 N -1.11 0.00 -2.98 0.00 -1.04 -1.22 -5.08 114.28 102.86 1q7i n THR 18 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1q7i n THR 18 Cb 0.03 1.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.63 1q7i n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1q7i n LYS 20 N 0.81 -0.66 -3.12 0.00 5.02 -1.17 -2.91 118.16 116.13 1q7i n LYS 20 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1q7i n LYS 20 Cb 0.29 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.24 1q7i n LYS 20 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1q7i s LEU 21 N 0.00 4.11 0.08 -0.35 1.43 -1.26 -0.73 118.68 121.95 1q7i s LEU 21 Ca 0.00 1.32 -0.31 0.00 -1.03 0.00 0.00 54.13 54.11 1q7i s LEU 21 Cb 0.00 -4.01 -0.07 0.00 0.03 0.00 0.00 46.19 42.14 1q7i s LEU 21 CO 0.00 -0.17 1.37 -0.60 0.23 0.00 0.00 176.35 177.18 1q7i s ARG 22 N -2.81 4.32 -0.90 1.70 3.52 -1.15 -4.50 118.95 119.14 1q7i s ARG 22 Ca 0.53 2.01 -0.26 0.00 -0.13 0.00 0.00 55.73 57.87 1q7i s ARG 22 Cb -0.11 -3.35 -0.18 0.00 -1.56 0.00 0.00 34.95 29.74 1q7i s ARG 22 CO 0.18 -0.45 2.29 -0.35 -0.81 0.00 0.00 175.30 176.16 1q7i n PRO 23 N 4.35 0.37 0.02 5.12 -0.04 -1.26 -3.06 135.00 140.50 1q7i n PRO 23 Ca 0.12 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 1q7i n PRO 23 Cb 0.43 -3.75 0.00 0.00 -0.04 0.00 0.00 33.50 30.14 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 6.53 -1.05 0.00 0.55 0.00 -1.26 -5.14 105.19 104.82 1q7i n GLY 24 Ca 0.45 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 -2.75 0.00 -0.81 4.61 0.00 -1.17 -5.04 120.51 115.35 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 1.04 0.00 0.00 0.00 177.50 178.54 1q7i n GLN 26 N 0.00 0.19 -3.56 0.00 3.00 -1.21 -4.97 117.38 110.83 1q7i n GLN 26 Ca 0.00 -0.39 -0.01 0.00 -0.01 0.00 0.00 57.00 56.59 1q7i n GLN 26 Cb 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 30.24 29.59 1q7i n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q7i n GLY 28 N 4.14 -1.02 0.00 0.00 0.00 -1.26 -4.00 105.19 103.06 1q7i n GLY 28 Ca -0.15 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.87 0.00 0.00 1.61 -0.00 -1.26 -4.93 120.64 114.19 1q7i n GLU 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1q7i n GLU 29 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.88 1q7i n GLU 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1q7i n GLY 30 N 0.00 0.45 0.31 -1.84 0.00 -1.25 -4.82 105.19 98.03 1q7i n GLY 30 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.27 1q7i n GLY 30 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1q7i h LEU 31 N 0.00 0.59 -3.94 0.99 3.38 -1.61 -2.73 115.31 111.98 1q7i h LEU 31 Ca 0.00 -0.05 -0.59 0.00 0.09 0.00 0.00 57.88 57.33 1q7i h LEU 31 Cb 0.00 -0.15 -0.39 0.00 0.09 0.00 0.00 40.66 40.21 1q7i h LEU 31 CO 0.00 0.50 -0.38 0.00 0.09 0.00 0.00 178.44 178.65 1q7i n GLU 34 N 4.55 -2.26 -1.56 0.00 2.13 -0.07 -4.58 120.64 118.86 1q7i n GLU 34 Ca -0.01 -0.18 -0.14 0.00 0.66 0.00 0.00 57.16 57.49 1q7i n GLU 34 Cb 0.42 -0.24 -0.08 0.00 0.27 0.00 0.00 31.44 31.81 1q7i n GLU 34 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1q7i n GLN 35 N -2.42 0.51 -3.85 5.31 6.02 -1.26 -2.78 117.38 118.91 1q7i n GLN 35 Ca 0.02 -0.83 -0.24 0.00 -0.01 0.00 0.00 57.00 55.93 1q7i n GLN 35 Cb 0.08 -3.55 0.01 0.00 1.02 0.00 0.00 30.24 27.80 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 -6.32 0.76 0.08 0.00 1.02 -1.12 -3.33 119.74 110.84 1q7i s LYS 37 Ca 0.09 0.75 -0.31 0.00 0.02 0.00 0.00 55.97 56.52 1q7i s LYS 37 Cb -0.05 0.37 -0.08 0.00 -0.52 0.00 0.00 37.83 37.55 1q7i s LYS 37 CO 0.85 -0.12 1.56 -0.06 -0.92 0.00 0.00 175.35 176.66 1q7i s PHE 38 N 0.07 2.72 0.92 3.18 0.08 -1.26 -0.89 117.98 122.81 1q7i s PHE 38 Ca -0.02 0.55 -0.11 0.00 0.12 0.00 0.00 56.93 57.47 1q7i s PHE 38 Cb -0.04 -3.87 0.15 0.00 -0.57 0.00 0.00 43.02 38.69 1q7i s PHE 38 CO 0.02 -3.33 1.10 -1.54 -0.10 0.00 0.00 175.22 171.37 1q7i s SER 39 N 1.92 3.04 0.31 1.36 1.04 -0.76 -4.79 113.70 115.82 1q7i s SER 39 Ca 0.70 1.85 -0.22 0.00 0.48 0.00 0.00 55.95 58.75 1q7i s SER 39 Cb -0.39 -2.43 -0.10 0.00 0.10 0.00 0.00 66.02 63.21 1q7i s SER 39 CO 0.31 -2.97 0.87 0.00 0.98 0.00 0.00 173.24 172.42 1q7i s ARG 40 N -4.73 4.38 0.92 4.02 1.70 -1.26 -4.54 118.95 119.44 1q7i s ARG 40 Ca 0.65 1.11 -0.14 0.00 -0.47 0.00 0.00 55.73 56.88 1q7i s ARG 40 Cb -0.21 -2.68 0.22 0.00 -0.57 0.00 0.00 34.95 31.71 1q7i s ARG 40 CO 0.58 0.24 0.49 0.00 -1.08 0.00 0.00 175.30 175.54 1q7i n ALA 41 N 0.31 -2.98 -1.35 7.88 0.00 -0.28 -3.22 120.51 120.87 1q7i n ALA 41 Ca 0.02 -0.87 -0.12 0.00 0.00 0.00 0.00 53.44 52.47 1q7i n ALA 41 Cb 0.51 -0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.73 1.19 3.69 0.00 0.00 0.22 -4.88 105.19 102.69 1q7i n GLY 42 Ca 0.08 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.98 4.30 -0.56 1.61 2.47 -1.20 -4.84 119.74 118.55 1q7i s LYS 43 Ca 0.00 0.63 -0.28 0.00 -1.56 0.00 0.00 55.97 54.75 1q7i s LYS 43 Cb 0.00 -3.51 0.03 0.00 -1.46 0.00 0.00 37.83 32.89 1q7i s LYS 43 CO 0.00 -0.05 1.24 -1.50 0.16 0.00 0.00 175.35 175.20 1q7i s ILE 44 N 1.28 3.98 -0.21 5.43 -1.16 -1.26 0.30 121.20 129.56 1q7i s ILE 44 Ca 0.30 0.90 0.21 0.00 -0.51 0.00 0.00 60.65 61.54 1q7i s ILE 44 Cb -0.16 -4.63 -0.02 0.00 0.61 0.00 0.00 42.46 38.26 1q7i s ILE 44 CO 0.12 -1.24 1.01 0.00 -2.81 0.00 0.00 174.94 172.03 1q7i s ARG 46 N -3.24 0.80 0.35 0.00 0.52 -1.25 -5.04 118.95 111.10 1q7i s ARG 46 Ca -0.01 0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.44 1q7i s ARG 46 Cb 0.09 0.37 -0.01 0.00 0.52 0.00 0.00 34.95 35.92 1q7i s ARG 46 CO 0.79 -0.21 0.52 -1.50 0.02 0.00 0.00 175.30 174.92 1q7i s ILE 47 N -0.89 4.42 -0.11 1.52 1.10 -1.26 -3.67 121.20 122.30 1q7i s ILE 47 Ca -0.09 -0.77 0.01 0.00 -0.51 0.00 0.00 60.65 59.29 1q7i s ILE 47 Cb -0.03 -3.58 -0.01 0.00 0.15 0.00 0.00 42.46 38.99 1q7i s ILE 47 CO 0.06 -0.30 -0.16 0.00 -2.11 0.00 0.00 174.94 172.43 1q7i s ALA 48 N -2.27 2.51 0.00 1.50 0.00 -1.26 -4.94 121.76 117.30 1q7i s ALA 48 Ca 0.43 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1q7i s ALA 48 Cb -0.10 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1q7i s ALA 48 CO 0.33 0.30 0.06 2.89 0.00 0.00 0.00 175.76 179.35 1q7i n ARG 49 N 3.35 3.97 0.00 0.00 1.85 -1.26 -4.95 116.66 119.63 1q7i n ARG 49 Ca -0.18 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.60 1q7i n ARG 49 Cb 0.53 -0.45 0.00 0.00 -1.05 0.00 0.00 32.46 31.49 1q7i n ARG 49 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1q7i n GLY 50 N 0.59 0.72 3.16 2.89 0.00 -1.26 -5.03 105.19 106.26 1q7i n GLY 50 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1q7i n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q7i n ASP 51 N 0.00 -4.16 -3.44 1.61 8.00 -1.26 -4.99 116.55 112.31 1q7i n ASP 51 Ca 0.00 -0.88 -0.18 0.00 0.71 0.00 0.00 54.79 54.44 1q7i n ASP 51 Cb 0.00 -0.99 -0.11 0.00 -0.02 0.00 0.00 41.12 40.00 1q7i n ASP 51 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1q7i s TRP 52 N -2.11 -0.34 -0.37 1.24 0.51 -1.26 -4.81 118.94 111.80 1q7i s TRP 52 Ca 0.67 -0.10 0.00 0.00 -2.12 0.00 0.00 56.10 54.55 1q7i s TRP 52 Cb -0.12 -0.46 0.18 0.00 -0.81 0.00 0.00 33.47 32.27 1q7i s TRP 52 CO 0.56 -0.82 0.82 1.21 -0.51 0.00 0.00 176.95 178.21 1q7i s ASN 53 N 2.33 -1.00 0.18 2.95 2.47 -1.26 -5.11 114.94 115.50 1q7i s ASN 53 Ca 0.09 -0.47 -0.33 0.00 0.42 0.00 0.00 52.86 52.56 1q7i s ASN 53 Cb -0.15 1.30 -0.13 0.00 -1.45 0.00 0.00 41.25 40.82 1q7i s ASN 53 CO -0.27 -0.11 1.62 -0.90 -3.72 0.00 0.00 177.10 173.72 1q7i n ASP 54 N 4.16 3.41 -4.61 -4.21 5.68 -1.26 -4.77 116.55 114.95 1q7i n ASP 54 Ca 0.08 1.08 -0.43 0.00 -0.50 0.00 0.00 54.79 55.02 1q7i n ASP 54 Cb 0.60 -1.48 -0.02 0.00 -1.14 0.00 0.00 41.12 39.08 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 0.98 6.67 -0.48 -1.12 1.01 -1.24 -4.98 116.67 117.51 1q7i s ASP 55 Ca 0.77 0.64 -0.13 0.00 0.71 0.00 0.00 52.55 54.55 1q7i s ASP 55 Cb -0.62 -2.55 0.10 0.00 1.01 0.00 0.00 42.92 40.87 1q7i s ASP 55 CO 0.36 -1.18 0.38 -0.13 0.21 0.00 0.00 175.17 174.81 1q7i s ARG 56 N 4.32 2.77 0.44 8.23 1.81 -1.25 -1.93 118.95 133.34 1q7i s ARG 56 Ca 0.49 -1.57 -0.14 0.00 -1.72 0.00 0.00 55.73 52.78 1q7i s ARG 56 Cb -0.09 -4.05 -0.12 0.00 -0.45 0.00 0.00 34.95 30.25 1q7i s ARG 56 CO 0.28 -1.13 -0.16 0.00 -0.68 0.00 0.00 175.30 173.61 1q7i n THR 58 N -1.26 0.00 0.36 0.00 -2.24 -1.26 -0.61 114.28 109.27 1q7i n THR 58 Ca 0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 1q7i n THR 58 Cb 0.38 -1.58 0.20 0.00 -2.10 0.00 0.00 70.33 67.23 1q7i n THR 58 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1q7i h GLY 59 N 0.00 0.00 -2.71 3.38 0.00 -1.85 -0.74 103.07 101.15 1q7i h GLY 59 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1q7i h GLY 59 CO 0.00 0.00 -0.80 -1.06 0.00 0.00 0.00 176.54 174.68 1q7i n GLN 60 N -2.63 1.56 -3.98 4.80 6.02 -1.26 -4.63 117.38 117.26 1q7i n GLN 60 Ca 0.04 -3.14 -0.34 0.00 -0.01 0.00 0.00 57.00 53.54 1q7i n GLN 60 Cb 0.49 -1.30 -0.15 0.00 1.02 0.00 0.00 30.24 30.31 1q7i n GLN 60 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1q7i s SER 61 N -3.04 4.01 0.03 1.08 1.04 -1.25 -4.96 113.70 110.61 1q7i s SER 61 Ca 0.38 -0.64 0.23 0.00 0.48 0.00 0.00 55.95 56.40 1q7i s SER 61 Cb 0.38 -1.65 0.06 0.00 0.10 0.00 0.00 66.02 64.91 1q7i s SER 61 CO -0.07 -0.06 1.05 0.00 0.98 0.00 0.00 173.24 175.14 1q7i n ALA 62 N 4.70 3.62 -3.16 5.32 0.00 -1.26 -4.42 120.51 125.31 1q7i n ALA 62 Ca -0.18 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1q7i n ALA 62 Cb 0.49 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1q7i n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1q7i n ASP 63 N -1.83 1.23 -3.73 0.00 8.00 -1.26 -1.20 116.55 117.75 1q7i n ASP 63 Ca 0.03 -0.54 -0.12 0.00 0.71 0.00 0.00 54.79 54.86 1q7i n ASP 63 Cb 0.41 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.40 1q7i n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q7i n PRO 65 N 3.36 1.48 -3.65 0.00 -0.04 -1.26 -5.02 135.00 129.87 1q7i n PRO 65 Ca -0.17 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.27 1q7i n PRO 65 Cb 0.56 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.98 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 0.00 0.59 -0.01 0.54 1.70 -1.26 -4.97 118.95 115.55 1q7i s ARG 66 Ca 0.00 1.42 0.06 0.00 -0.47 0.00 0.00 55.73 56.74 1q7i s ARG 66 Cb 0.00 0.77 -0.09 0.00 -0.57 0.00 0.00 34.95 35.07 1q7i s ARG 66 CO 0.00 -0.19 0.14 0.66 -1.08 0.00 0.00 175.30 174.82 1q7i n TYR 67 N 5.30 0.00 0.39 5.89 4.02 -1.26 -5.15 117.16 126.34 1q7i n TYR 67 Ca -0.13 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.81 1q7i n TYR 67 Cb 0.50 -0.12 0.04 0.00 -0.02 0.00 0.00 39.34 39.75 1q7i n TYR 67 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46