#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 0.52 0.46 1.61 -2.85 -1.26 -5.17 119.74 113.05 1q7i s LYS 2 Ca 0.00 0.39 0.06 0.00 -1.00 0.00 0.00 55.97 55.43 1q7i s LYS 2 Cb 0.00 0.25 -0.02 0.00 -2.06 0.00 0.00 37.83 36.00 1q7i s LYS 2 CO 0.00 -0.09 0.27 -1.21 0.10 0.00 0.00 175.35 174.42 1q7i s GLU 3 N -0.14 2.29 -0.45 1.78 2.02 -1.26 -5.09 118.70 117.85 1q7i s GLU 3 Ca -0.03 -1.86 0.07 0.00 0.02 0.00 0.00 54.97 53.16 1q7i s GLU 3 Cb -0.03 -2.07 0.29 0.00 0.10 0.00 0.00 34.13 32.42 1q7i s GLU 3 CO 0.02 -0.29 0.92 0.00 0.02 0.00 0.00 175.26 175.93 1q7i h ASP 5 N 3.48 0.30 -3.78 0.00 1.82 -1.24 -3.40 116.42 113.61 1q7i h ASP 5 Ca -0.07 0.13 -0.14 0.00 -0.39 0.00 0.00 57.03 56.55 1q7i h ASP 5 Cb 1.03 0.10 -0.25 0.00 0.68 0.00 0.00 39.33 40.89 1q7i h ASP 5 CO 0.29 -0.12 -0.33 0.00 -1.61 0.00 0.00 179.24 177.47 1q7i n SER 7 N 3.09 2.42 -4.62 0.00 3.41 -1.26 -4.16 113.62 112.49 1q7i n SER 7 Ca -0.15 -1.71 -0.43 0.00 -0.26 0.00 0.00 58.87 56.33 1q7i n SER 7 Cb 0.57 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 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 -1.43 6.79 0.00 4.04 0.01 -1.26 -4.86 113.70 116.99 1q7i s SER 8 Ca 0.20 0.88 0.28 0.00 1.31 0.00 0.00 55.95 58.62 1q7i s SER 8 Cb 0.14 -2.55 1.59 0.00 0.21 0.00 0.00 66.02 65.41 1q7i s SER 8 CO 0.22 -1.04 2.01 -0.81 0.41 0.00 0.00 173.24 174.03 1q7i n PRO 9 N 7.26 0.69 -0.06 12.44 -0.04 -1.26 -2.57 135.00 151.46 1q7i n PRO 9 Ca 0.12 0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.69 1q7i n PRO 9 Cb 0.48 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.55 1q7i n PRO 9 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1q7i n GLU 10 N -1.12 1.89 -3.61 0.54 2.13 -1.26 -4.89 120.64 114.33 1q7i n GLU 10 Ca 0.18 -1.81 -0.36 0.00 0.66 0.00 0.00 57.16 55.83 1q7i n GLU 10 Cb 0.15 -1.39 -0.07 0.00 0.27 0.00 0.00 31.44 30.40 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 -1.47 6.43 0.27 4.31 3.84 -1.06 -4.96 114.94 122.29 1q7i s ASN 11 Ca 0.26 0.50 0.14 0.00 0.21 0.00 0.00 52.86 53.97 1q7i s ASN 11 Cb 0.17 -2.16 0.18 0.00 -0.55 0.00 0.00 41.25 38.89 1q7i s ASN 11 CO 0.25 0.17 1.49 1.55 -2.79 0.00 0.00 177.10 177.77 1q7i h PRO 12 N 6.27 0.00 -0.62 0.43 0.13 -1.91 -3.26 132.00 133.04 1q7i h PRO 12 Ca -0.44 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.77 1q7i h PRO 12 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 1q7i h PRO 12 CO 0.72 0.58 0.29 0.00 -0.23 0.00 0.00 178.00 179.36 1q7i s ASP 15 N -3.03 4.19 0.31 0.00 -1.08 -0.06 -4.87 116.67 112.12 1q7i s ASP 15 Ca 0.15 -1.26 0.14 0.00 -0.52 0.00 0.00 52.55 51.06 1q7i s ASP 15 Cb -0.01 -1.51 0.47 0.00 -1.46 0.00 0.00 42.92 40.41 1q7i s ASP 15 CO 0.09 -0.16 1.65 0.00 0.52 0.00 0.00 175.17 177.27 1q7i h ALA 16 N 7.81 0.95 0.00 3.66 0.00 -1.83 1.03 119.26 130.89 1q7i h ALA 16 Ca -0.23 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1q7i h ALA 16 Cb 1.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1q7i h ALA 16 CO 0.49 0.65 0.04 0.00 0.00 0.00 0.00 179.25 180.43 1q7i h ALA 17 N 1.48 1.04 0.00 0.00 0.00 -1.94 -2.42 119.26 117.42 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 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1q7i h ALA 17 CO 0.07 -0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.53 1q7i n THR 18 N -3.04 0.00 -0.42 0.00 -2.24 -1.02 -4.99 114.28 102.57 1q7i n THR 18 Ca -0.03 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1q7i n THR 18 Cb 0.11 1.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 1q7i n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q7i s LYS 20 N -0.27 2.22 0.56 0.00 3.01 -0.89 -0.73 119.74 123.64 1q7i s LYS 20 Ca 0.00 -0.95 0.06 0.00 -1.01 0.00 0.00 55.97 54.06 1q7i s LYS 20 Cb 0.00 -2.34 0.10 0.00 -1.01 0.00 0.00 37.83 34.58 1q7i s LYS 20 CO 0.00 0.53 0.77 1.47 0.51 0.00 0.00 175.35 178.63 1q7i n LEU 21 N 0.93 0.00 0.00 3.17 -0.00 -1.26 -0.89 117.00 118.96 1q7i n LEU 21 Ca -0.14 -2.09 0.00 0.00 -0.00 0.00 0.00 56.01 53.78 1q7i n LEU 21 Cb 0.52 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1q7i n LEU 21 CO 0.32 -0.77 0.00 -1.14 -0.00 0.00 0.00 177.39 175.81 1q7i n ARG 22 N -2.29 0.00 -1.18 1.47 0.00 -1.17 -4.83 116.66 108.66 1q7i n ARG 22 Ca 0.15 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.79 1q7i n ARG 22 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.87 1q7i n ARG 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1q7i n PRO 23 N 0.00 2.50 0.00 -0.14 -0.04 -1.26 -3.87 135.00 132.19 1q7i n PRO 23 Ca 0.00 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 1q7i n PRO 23 Cb 0.00 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 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 2.41 -0.01 0.45 0.55 0.00 -1.22 -4.63 105.19 102.74 1q7i n GLY 24 Ca 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.13 -0.36 0.25 4.61 0.00 -1.25 -4.85 120.51 117.77 1q7i n ALA 25 Ca 0.00 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1q7i n ALA 25 Cb 0.00 0.04 0.54 0.00 0.00 0.00 0.00 19.45 20.03 1q7i n ALA 25 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1q7i h GLN 26 N 0.00 0.00 -1.88 0.00 4.15 -1.90 -3.37 115.11 112.12 1q7i h GLN 26 Ca -0.03 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.45 1q7i h GLN 26 Cb 0.14 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 27.63 1q7i h GLN 26 CO 0.04 0.11 0.45 0.00 -1.93 0.00 0.00 178.83 177.50 1q7i n GLY 28 N 0.48 -0.05 3.65 0.00 0.00 -1.26 -3.29 105.19 104.72 1q7i n GLY 28 Ca -0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 1q7i n GLY 28 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q7i s GLU 29 N -1.26 0.25 0.00 1.61 4.04 -1.26 -4.80 118.70 117.27 1q7i s GLU 29 Ca 0.05 0.39 0.00 0.00 0.04 0.00 0.00 54.97 55.45 1q7i s GLU 29 Cb 0.06 0.07 0.00 0.00 0.02 0.00 0.00 34.13 34.27 1q7i s GLU 29 CO 0.21 -0.05 0.00 0.41 -1.84 0.00 0.00 175.26 174.00 1q7i n GLY 30 N 3.08 0.54 0.30 -3.83 0.00 -1.26 -4.74 105.19 99.28 1q7i n GLY 30 Ca -0.16 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.14 1q7i n GLY 30 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1q7i h LEU 31 N 0.00 0.48 -6.08 0.99 6.46 0.76 -3.16 115.31 114.75 1q7i h LEU 31 Ca 0.00 -0.02 -0.59 0.00 -0.12 0.00 0.00 57.88 57.14 1q7i h LEU 31 Cb 0.00 -0.12 -0.42 0.00 -0.73 0.00 0.00 40.66 39.39 1q7i h LEU 31 CO 0.00 0.38 -0.64 0.00 -0.62 0.00 0.00 178.44 177.56 1q7i n GLU 34 N 5.31 -1.53 -1.56 0.00 2.13 -0.57 -4.71 120.64 119.71 1q7i n GLU 34 Ca -0.04 -1.02 -0.13 0.00 0.66 0.00 0.00 57.16 56.63 1q7i n GLU 34 Cb 0.50 -0.82 -0.08 0.00 0.27 0.00 0.00 31.44 31.31 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 -2.97 0.49 -2.72 5.31 6.02 -1.26 -2.43 117.38 119.82 1q7i n GLN 35 Ca 0.09 -0.95 -0.09 0.00 -0.01 0.00 0.00 57.00 56.04 1q7i n GLN 35 Cb 0.32 -3.69 0.04 0.00 1.02 0.00 0.00 30.24 27.93 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 -4.72 1.14 -0.34 0.00 -0.14 -1.02 -3.95 119.74 110.71 1q7i s LYS 37 Ca 0.01 -0.07 -0.25 0.00 -1.36 0.00 0.00 55.97 54.30 1q7i s LYS 37 Cb -0.01 0.53 0.01 0.00 -1.68 0.00 0.00 37.83 36.68 1q7i s LYS 37 CO 0.36 -0.43 0.88 -0.06 -0.76 0.00 0.00 175.35 175.34 1q7i s PHE 38 N -2.34 3.14 1.02 3.18 0.08 -1.26 -1.51 117.98 120.28 1q7i s PHE 38 Ca -0.05 0.82 -0.17 0.00 0.12 0.00 0.00 56.93 57.64 1q7i s PHE 38 Cb -0.00 -3.47 -0.01 0.00 -0.57 0.00 0.00 43.02 38.96 1q7i s PHE 38 CO -0.01 -0.72 -0.21 -1.13 -0.10 0.00 0.00 175.22 173.05 1q7i n SER 39 N 6.54 -3.06 -4.73 1.36 3.41 -0.68 -4.82 113.62 111.63 1q7i n SER 39 Ca 0.06 0.12 -0.40 0.00 -0.26 0.00 0.00 58.87 58.39 1q7i n SER 39 Cb 0.48 -0.95 -0.05 0.00 -0.26 0.00 0.00 64.21 63.43 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 -3.04 4.47 1.03 4.33 0.52 -1.26 -4.59 118.95 120.40 1q7i s ARG 40 Ca 0.50 1.00 -0.24 0.00 -0.52 0.00 0.00 55.73 56.48 1q7i s ARG 40 Cb -0.13 -3.40 -0.11 0.00 0.52 0.00 0.00 34.95 31.82 1q7i s ARG 40 CO 0.70 0.18 -1.02 0.00 0.02 0.00 0.00 175.30 175.18 1q7i n ALA 41 N 3.24 -5.27 -1.10 2.13 0.00 -1.12 -3.14 120.51 115.26 1q7i n ALA 41 Ca -0.02 -1.26 -0.03 0.00 0.00 0.00 0.00 53.44 52.13 1q7i n ALA 41 Cb 0.51 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 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 3.07 0.64 3.69 0.00 0.00 0.59 -4.83 105.19 108.34 1q7i n GLY 42 Ca -0.01 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.90 4.30 -0.88 1.61 2.47 -1.19 -4.83 119.74 119.33 1q7i s LYS 43 Ca 0.00 0.69 -0.25 0.00 -1.56 0.00 0.00 55.97 54.85 1q7i s LYS 43 Cb 0.00 -3.52 0.02 0.00 -1.46 0.00 0.00 37.83 32.87 1q7i s LYS 43 CO 0.00 -0.09 1.54 -1.50 0.16 0.00 0.00 175.35 175.45 1q7i s ILE 44 N 1.40 3.72 -0.06 5.43 1.10 -1.26 -0.25 121.20 131.29 1q7i s ILE 44 Ca 0.31 -0.28 0.12 0.00 -0.51 0.00 0.00 60.65 60.30 1q7i s ILE 44 Cb -0.16 -4.72 -0.03 0.00 0.15 0.00 0.00 42.46 37.70 1q7i s ILE 44 CO 0.13 -1.63 1.39 0.00 -2.11 0.00 0.00 174.94 172.72 1q7i s ARG 46 N -2.89 0.15 -0.52 0.00 0.52 -1.24 -5.05 118.95 109.92 1q7i s ARG 46 Ca 0.03 0.50 -0.19 0.00 -0.52 0.00 0.00 55.73 55.55 1q7i s ARG 46 Cb 0.08 -0.14 0.07 0.00 0.52 0.00 0.00 34.95 35.48 1q7i s ARG 46 CO 0.77 -0.18 0.63 -1.50 0.02 0.00 0.00 175.30 175.04 1q7i s ILE 47 N 1.39 4.88 0.48 1.52 1.10 -1.26 -3.28 121.20 126.03 1q7i s ILE 47 Ca -0.08 -0.64 -0.08 0.00 -0.51 0.00 0.00 60.65 59.35 1q7i s ILE 47 Cb -0.11 -4.33 0.12 0.00 0.15 0.00 0.00 42.46 38.29 1q7i s ILE 47 CO -0.08 -0.87 0.27 0.00 -2.11 0.00 0.00 174.94 172.16 1q7i n ALA 48 N 6.15 -1.64 -1.00 1.50 0.00 -1.26 -4.96 120.51 119.30 1q7i n ALA 48 Ca -0.08 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1q7i n ALA 48 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.79 0.00 0.07 0.00 5.12 -1.26 -4.93 116.66 112.86 1q7i n ARG 49 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1q7i n ARG 49 Cb 0.19 -0.67 0.00 0.00 -1.16 0.00 0.00 32.46 30.82 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 -0.17 -0.11 3.16 -0.13 0.00 -1.26 -5.08 105.19 101.61 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 0.99 0.00 0.00 0.00 173.32 174.31 1q7i s ASP 51 N -5.47 2.71 0.00 1.61 1.01 -1.26 -5.08 116.67 110.19 1q7i s ASP 51 Ca 0.00 -0.48 0.00 0.00 0.71 0.00 0.00 52.55 52.78 1q7i s ASP 51 Cb 0.00 -1.24 0.00 0.00 1.01 0.00 0.00 42.92 42.69 1q7i s ASP 51 CO 0.00 0.12 0.00 -2.67 0.21 0.00 0.00 175.17 172.83 1q7i n TRP 52 N 3.60 0.00 -3.16 4.23 -0.00 -1.26 -5.06 117.44 115.80 1q7i n TRP 52 Ca -0.20 0.00 -0.45 0.00 -0.00 0.00 0.00 57.50 56.85 1q7i n TRP 52 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.80 1q7i n TRP 52 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1q7i s ASN 53 N -4.00 6.33 1.37 -0.67 0.01 -1.26 -5.04 114.94 111.67 1q7i s ASN 53 Ca 0.00 -1.76 -0.20 0.00 -0.71 0.00 0.00 52.86 50.19 1q7i s ASN 53 Cb 0.00 -2.28 0.34 0.00 0.41 0.00 0.00 41.25 39.72 1q7i s ASN 53 CO 0.00 -0.98 0.87 -0.90 -1.51 0.00 0.00 177.10 174.57 1q7i n ASP 54 N 5.81 -3.37 -4.29 -1.22 5.68 -1.26 -4.95 116.55 112.95 1q7i n ASP 54 Ca -0.03 -0.62 -0.40 0.00 -0.50 0.00 0.00 54.79 53.24 1q7i n ASP 54 Cb 0.43 -1.07 -0.10 0.00 -1.14 0.00 0.00 41.12 39.24 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 -2.77 5.65 -0.50 -1.12 1.01 -1.20 -5.04 116.67 112.70 1q7i s ASP 55 Ca 0.66 -1.41 -0.06 0.00 0.71 0.00 0.00 52.55 52.44 1q7i s ASP 55 Cb -0.16 -1.99 0.13 0.00 1.01 0.00 0.00 42.92 41.90 1q7i s ASP 55 CO 0.59 -0.51 0.34 -0.13 0.21 0.00 0.00 175.17 175.67 1q7i s ARG 56 N 1.45 2.41 0.36 8.23 1.81 -1.25 -1.34 118.95 130.62 1q7i s ARG 56 Ca 0.03 -1.96 -0.20 0.00 -1.72 0.00 0.00 55.73 51.88 1q7i s ARG 56 Cb -0.22 -3.82 -0.15 0.00 -0.45 0.00 0.00 34.95 30.31 1q7i s ARG 56 CO 0.03 -1.16 0.11 0.00 -0.68 0.00 0.00 175.30 173.60 1q7i n THR 58 N -0.87 0.00 0.06 0.00 -2.24 -1.26 -0.30 114.28 109.67 1q7i n THR 58 Ca 0.11 -0.81 0.04 0.00 -2.27 0.00 0.00 64.05 61.11 1q7i n THR 58 Cb 0.36 -1.59 0.20 0.00 -2.10 0.00 0.00 70.33 67.21 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 -2.12 2.23 0.14 3.38 0.00 -1.26 -2.78 105.19 104.78 1q7i n GLY 59 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.32 0.00 -4.53 1.61 6.02 -1.26 -4.72 117.38 114.81 1q7i n GLN 60 Ca 0.14 -0.36 -0.26 0.00 -0.01 0.00 0.00 57.00 56.51 1q7i n GLN 60 Cb 0.72 -0.28 -0.10 0.00 1.02 0.00 0.00 30.24 31.59 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 -0.16 3.67 0.00 1.08 0.15 -1.25 -5.04 113.70 112.15 1q7i s SER 61 Ca 0.00 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.46 1q7i s SER 61 Cb 0.00 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1q7i s SER 61 CO 0.00 -0.20 0.00 0.00 1.20 0.00 0.00 173.24 174.24 1q7i n ALA 62 N -0.77 1.36 -3.34 5.45 0.00 -1.26 -4.41 120.51 117.54 1q7i n ALA 62 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 1q7i n ALA 62 Cb 0.63 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.90 1.71 -3.78 0.00 8.00 -1.26 0.13 116.55 120.45 1q7i n ASP 63 Ca 0.00 -2.10 -0.14 0.00 0.71 0.00 0.00 54.79 53.25 1q7i n ASP 63 Cb 0.00 -0.17 -0.15 0.00 -0.02 0.00 0.00 41.12 40.78 1q7i n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q7i s PRO 65 N 0.97 3.67 0.42 0.00 0.04 -1.26 -5.01 135.00 133.84 1q7i s PRO 65 Ca -0.08 0.47 -0.26 0.00 0.04 0.00 0.00 61.00 61.16 1q7i s PRO 65 Cb -0.11 -3.92 -0.09 0.00 0.04 0.00 0.00 34.50 30.42 1q7i s PRO 65 CO -0.03 -1.37 1.46 1.03 0.04 0.00 0.00 177.00 178.13 1q7i s ARG 66 N 4.34 3.85 -0.02 4.56 0.52 -1.26 -4.91 118.95 126.04 1q7i s ARG 66 Ca 0.46 2.50 0.04 0.00 -0.52 0.00 0.00 55.73 58.21 1q7i s ARG 66 Cb -0.08 -2.79 -0.06 0.00 0.52 0.00 0.00 34.95 32.55 1q7i s ARG 66 CO 0.31 -0.71 0.05 0.98 0.02 0.00 0.00 175.30 175.95 1q7i n TYR 67 N 0.07 0.00 -1.62 -0.53 4.19 -1.26 -5.16 117.16 112.85 1q7i n TYR 67 Ca 0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.24 1q7i n TYR 67 Cb 0.41 -0.14 0.00 0.00 0.49 0.00 0.00 39.34 40.10 1q7i n TYR 67 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35