#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 3.46 -0.34 1.61 0.00 -1.26 -4.94 119.74 118.27 1q7i s LYS 2 Ca 0.00 2.38 0.15 0.00 0.00 0.00 0.00 55.97 58.50 1q7i s LYS 2 Cb 0.00 -2.50 0.46 0.00 0.00 0.00 0.00 37.83 35.79 1q7i s LYS 2 CO 0.00 -0.99 1.02 -0.85 0.00 0.00 0.00 175.35 174.54 1q7i n GLU 3 N -0.53 1.88 -3.08 1.78 0.28 -1.26 -4.92 120.64 114.79 1q7i n GLU 3 Ca 0.07 -3.62 -0.20 0.00 -0.16 0.00 0.00 57.16 53.26 1q7i n GLU 3 Cb 0.43 -1.58 -0.04 0.00 1.43 0.00 0.00 31.44 31.68 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 1.37 0.15 -3.76 0.00 -0.08 -1.22 -4.25 116.55 108.76 1q7i n ASP 5 Ca 0.18 1.03 -0.13 0.00 -1.51 0.00 0.00 54.79 54.36 1q7i n ASP 5 Cb 0.56 -0.50 -0.10 0.00 2.34 0.00 0.00 41.12 43.42 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 2.23 2.65 -4.66 0.00 3.41 -1.26 -4.36 113.62 111.62 1q7i n SER 7 Ca -0.17 -1.83 -0.42 0.00 -0.26 0.00 0.00 58.87 56.20 1q7i n SER 7 Cb 0.57 0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.64 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 -2.16 6.97 0.14 4.04 1.04 -1.26 -4.92 113.70 117.55 1q7i s SER 8 Ca 0.25 1.20 0.04 0.00 0.48 0.00 0.00 55.95 57.91 1q7i s SER 8 Cb 0.19 -2.47 -0.10 0.00 0.10 0.00 0.00 66.02 63.75 1q7i s SER 8 CO 0.39 -0.47 1.32 1.55 0.98 0.00 0.00 173.24 177.01 1q7i h PRO 9 N 7.42 0.11 0.00 4.02 0.13 -1.93 -3.20 132.00 138.55 1q7i h PRO 9 Ca -0.26 -0.15 -0.08 0.00 -0.87 0.00 0.00 66.00 64.64 1q7i h PRO 9 Cb 1.11 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1q7i h PRO 9 CO 0.87 0.98 -0.36 1.49 -0.23 0.00 0.00 178.00 180.75 1q7i h GLU 10 N 0.05 0.00 -6.38 0.86 4.22 -1.95 -3.45 114.58 107.93 1q7i h GLU 10 Ca -0.04 0.00 -0.53 0.00 0.08 0.00 0.00 59.36 58.87 1q7i h GLU 10 Cb 1.65 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.92 1q7i h GLU 10 CO 0.14 0.36 1.18 1.21 -2.18 0.00 0.00 179.01 179.72 1q7i s ASN 11 N -6.38 6.48 0.00 1.04 3.84 -1.21 -4.83 114.94 113.87 1q7i s ASN 11 Ca 0.05 2.63 0.06 0.00 0.21 0.00 0.00 52.86 55.81 1q7i s ASN 11 Cb 0.07 -2.54 0.38 0.00 -0.55 0.00 0.00 41.25 38.61 1q7i s ASN 11 CO 0.72 -1.02 1.24 -0.81 -2.79 0.00 0.00 177.10 174.44 1q7i n PRO 12 N 7.03 1.00 -0.93 0.43 -0.04 -1.26 -3.53 135.00 137.70 1q7i n PRO 12 Ca 0.19 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.57 1q7i n PRO 12 Cb 0.41 -1.10 0.24 0.00 -0.04 0.00 0.00 33.50 33.01 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 3.28 3.78 -1.72 0.00 2.03 0.28 -4.51 116.55 119.69 1q7i n ASP 15 Ca -0.17 1.10 0.07 0.00 0.52 0.00 0.00 54.79 56.31 1q7i n ASP 15 Cb 0.57 -1.56 0.36 0.00 -0.72 0.00 0.00 41.12 39.77 1q7i n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q7i n ALA 16 N 3.10 3.62 0.00 -1.67 0.00 -1.26 -2.77 120.51 121.53 1q7i n ALA 16 Ca 0.13 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.89 1q7i n ALA 16 Cb 0.35 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.67 1.78 -0.63 0.00 0.00 -1.26 -4.71 120.51 116.36 1q7i n ALA 17 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1q7i n ALA 17 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.51 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 -1.05 0.03 -2.73 0.00 -1.04 -1.26 -5.07 114.28 103.15 1q7i n THR 18 Ca 0.00 -0.20 -0.03 0.00 -2.04 0.00 0.00 64.05 61.78 1q7i n THR 18 Cb 0.00 1.57 0.00 0.00 -1.82 0.00 0.00 70.33 70.08 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 0.25 -1.97 -2.28 0.00 4.76 -1.16 -2.80 118.16 114.96 1q7i n LYS 20 Ca 0.05 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.15 1q7i n LYS 20 Cb 0.20 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.38 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 3.69 -0.07 -0.35 1.43 -1.26 0.10 118.68 122.21 1q7i s LEU 21 Ca 0.00 1.94 -0.27 0.00 -1.03 0.00 0.00 54.13 54.77 1q7i s LEU 21 Cb 0.00 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 1q7i s LEU 21 CO 0.00 -1.04 0.89 -0.60 0.23 0.00 0.00 176.35 175.82 1q7i s ARG 22 N -3.57 4.45 -0.68 1.70 3.52 -1.16 -3.43 118.95 119.78 1q7i s ARG 22 Ca 0.67 1.20 -0.26 0.00 -0.13 0.00 0.00 55.73 57.21 1q7i s ARG 22 Cb -0.18 -3.50 -0.24 0.00 -1.56 0.00 0.00 34.95 29.48 1q7i s ARG 22 CO 0.28 -0.13 1.86 -0.35 -0.81 0.00 0.00 175.30 176.15 1q7i n PRO 23 N 4.38 0.71 0.00 5.12 -0.04 -1.26 -3.24 135.00 140.67 1q7i n PRO 23 Ca 0.04 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 61.84 1q7i n PRO 23 Cb 0.50 -3.18 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 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 5.30 0.00 0.00 0.55 0.00 -1.26 -5.15 105.19 104.62 1q7i n GLY 24 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.22 4.61 0.00 -1.20 -5.00 120.51 116.70 1q7i n ALA 25 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 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 0.00 0.00 0.00 0.00 7.27 -1.05 -4.96 117.38 118.64 1q7i n GLN 26 Ca 0.00 -1.36 0.00 0.00 0.07 0.00 0.00 57.00 55.71 1q7i n GLN 26 Cb 0.00 -0.12 0.00 0.00 2.41 0.00 0.00 30.24 32.53 1q7i n GLN 26 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1q7i n GLY 28 N -0.00 -1.19 0.00 0.00 0.00 -1.24 -4.25 105.19 98.51 1q7i n GLY 28 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.28 -1.26 -4.75 120.64 114.65 1q7i n GLU 29 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1q7i n GLU 29 Cb 0.42 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.29 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 -0.01 0.50 0.24 -1.84 0.00 -1.26 -4.86 105.19 97.96 1q7i n GLY 30 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 0.88 -3.68 0.99 3.38 -1.49 -3.12 115.31 112.27 1q7i h LEU 31 Ca 0.00 -0.45 -0.30 0.00 0.09 0.00 0.00 57.88 57.22 1q7i h LEU 31 Cb 0.00 -0.25 -0.18 0.00 0.09 0.00 0.00 40.66 40.32 1q7i h LEU 31 CO 0.00 1.22 0.28 0.00 0.09 0.00 0.00 178.44 180.03 1q7i n GLU 34 N 4.76 1.30 -1.55 0.00 0.28 -0.12 -4.47 120.64 120.84 1q7i n GLU 34 Ca -0.05 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.80 1q7i n GLU 34 Cb 0.41 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.19 1q7i n GLU 34 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1q7i n GLN 35 N 0.00 0.48 -3.96 3.44 7.27 -1.26 -2.89 117.38 120.46 1q7i n GLN 35 Ca 0.00 -0.72 -0.29 0.00 0.07 0.00 0.00 57.00 56.06 1q7i n GLN 35 Cb 0.00 -3.30 -0.02 0.00 2.41 0.00 0.00 30.24 29.33 1q7i n GLN 35 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1q7i s LYS 37 N -6.64 0.73 -0.50 0.00 -0.14 -1.14 -2.52 119.74 109.52 1q7i s LYS 37 Ca 0.14 1.19 -0.28 0.00 -1.36 0.00 0.00 55.97 55.65 1q7i s LYS 37 Cb -0.06 0.18 -0.09 0.00 -1.68 0.00 0.00 37.83 36.18 1q7i s LYS 37 CO 0.91 -0.14 2.41 1.19 -0.76 0.00 0.00 175.35 178.95 1q7i n PHE 38 N 4.05 1.41 -0.88 3.18 3.01 -1.26 -0.95 117.46 126.02 1q7i n PHE 38 Ca -0.19 0.13 -0.35 0.00 1.01 0.00 0.00 57.45 58.05 1q7i n PHE 38 Cb 0.58 -2.61 0.09 0.00 -0.01 0.00 0.00 39.48 37.53 1q7i n PHE 38 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1q7i n SER 39 N 14.17 -3.71 -4.92 4.37 7.64 0.00 -4.86 113.62 126.32 1q7i n SER 39 Ca 0.40 0.15 -0.27 0.00 1.01 0.00 0.00 58.87 60.16 1q7i n SER 39 Cb 0.44 -0.89 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 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 -2.75 3.55 0.95 1.43 0.52 -1.26 -4.38 118.95 117.01 1q7i s ARG 40 Ca 0.47 -0.24 -0.15 0.00 -0.52 0.00 0.00 55.73 55.29 1q7i s ARG 40 Cb -0.13 -2.76 -0.08 0.00 0.52 0.00 0.00 34.95 32.50 1q7i s ARG 40 CO 0.73 0.31 -0.29 0.00 0.02 0.00 0.00 175.30 176.06 1q7i n ALA 41 N -0.91 -4.22 -0.65 2.13 0.00 -0.18 -3.47 120.51 113.20 1q7i n ALA 41 Ca -0.04 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1q7i n ALA 41 Cb 0.54 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 2.67 0.77 3.57 0.00 0.00 -0.73 -4.89 105.19 106.58 1q7i n GLY 42 Ca 0.02 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.40 3.89 -0.82 1.61 2.47 -1.23 -4.80 119.74 119.47 1q7i s LYS 43 Ca 0.00 -0.36 -0.26 0.00 -1.56 0.00 0.00 55.97 53.79 1q7i s LYS 43 Cb 0.00 -3.49 0.04 0.00 -1.46 0.00 0.00 37.83 32.92 1q7i s LYS 43 CO 0.00 -0.08 1.33 -1.50 0.16 0.00 0.00 175.35 175.26 1q7i s ILE 44 N 1.41 3.78 -0.57 5.43 1.10 -1.26 0.97 121.20 132.06 1q7i s ILE 44 Ca 0.06 0.05 0.24 0.00 -0.51 0.00 0.00 60.65 60.50 1q7i s ILE 44 Cb -0.15 -4.96 0.18 0.00 0.15 0.00 0.00 42.46 37.68 1q7i s ILE 44 CO 0.06 -1.88 1.48 0.00 -2.11 0.00 0.00 174.94 172.49 1q7i s ARG 46 N -3.18 0.74 -0.17 0.00 6.06 -1.26 -5.02 118.95 116.11 1q7i s ARG 46 Ca 0.07 0.39 -0.17 0.00 -2.50 0.00 0.00 55.73 53.52 1q7i s ARG 46 Cb 0.11 0.35 -0.04 0.00 0.06 0.00 0.00 34.95 35.43 1q7i s ARG 46 CO 0.68 -0.19 0.45 -1.50 -2.50 0.00 0.00 175.30 172.24 1q7i s ILE 47 N -0.63 5.18 1.34 4.11 1.10 -1.26 -1.17 121.20 129.87 1q7i s ILE 47 Ca -0.03 0.83 -0.20 0.00 -0.51 0.00 0.00 60.65 60.74 1q7i s ILE 47 Cb -0.02 -3.78 0.33 0.00 0.15 0.00 0.00 42.46 39.14 1q7i s ILE 47 CO 0.02 0.26 0.78 0.00 -2.11 0.00 0.00 174.94 173.90 1q7i n ALA 48 N 4.24 -4.08 -2.57 1.50 0.00 -1.26 -4.91 120.51 113.43 1q7i n ALA 48 Ca -0.07 -1.66 -0.17 0.00 0.00 0.00 0.00 53.44 51.54 1q7i n ALA 48 Cb 0.51 -1.56 0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 -4.91 2.22 0.00 0.00 3.00 -1.26 -5.03 116.66 110.67 1q7i n ARG 49 Ca 0.10 -3.84 0.00 0.00 -0.01 0.00 0.00 57.85 54.10 1q7i n ARG 49 Cb 0.55 -1.72 0.00 0.00 0.00 0.00 0.00 32.46 31.30 1q7i n ARG 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1q7i n GLY 50 N -0.27 -0.81 0.09 -0.13 0.00 -1.26 -5.03 105.19 97.79 1q7i n GLY 50 Ca 0.23 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 1q7i n GLY 50 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1q7i h ASP 51 N 0.00 0.00 -1.37 1.61 1.82 -2.05 -3.48 116.42 112.95 1q7i h ASP 51 Ca 0.00 -0.49 -0.39 0.00 -0.39 0.00 0.00 57.03 55.76 1q7i h ASP 51 Cb 0.00 0.00 0.15 0.00 0.68 0.00 0.00 39.33 40.16 1q7i h ASP 51 CO 0.00 1.32 -1.08 -2.67 -1.61 0.00 0.00 179.24 175.19 1q7i n TRP 52 N -4.49 -2.94 -0.31 0.28 2.14 -1.26 -4.91 117.44 105.96 1q7i n TRP 52 Ca -0.26 0.11 0.00 0.00 2.07 0.00 0.00 57.50 59.42 1q7i n TRP 52 Cb 0.59 -1.05 0.00 0.00 -0.81 0.00 0.00 31.31 30.04 1q7i n TRP 52 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 1q7i n ASN 53 N 2.12 -1.35 -2.40 -0.67 5.15 -1.26 -4.85 115.26 112.01 1q7i n ASN 53 Ca 0.01 -0.31 0.00 0.00 -0.60 0.00 0.00 54.58 53.68 1q7i n ASN 53 Cb 0.36 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.61 1q7i n ASN 53 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1q7i n ASP 54 N -2.95 0.00 -3.50 1.20 9.92 -1.26 -4.27 116.55 115.69 1q7i n ASP 54 Ca 0.00 -0.08 -0.35 0.00 -0.53 0.00 0.00 54.79 53.83 1q7i n ASP 54 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1q7i n ASP 54 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1q7i n ASP 55 N -0.24 5.67 -4.60 -2.24 -0.08 -0.32 -4.75 116.55 110.00 1q7i n ASP 55 Ca 0.00 -3.57 -0.36 0.00 -1.51 0.00 0.00 54.79 49.34 1q7i n ASP 55 Cb 0.00 -0.94 0.07 0.00 2.34 0.00 0.00 41.12 42.60 1q7i n ASP 55 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1q7i n ARG 56 N 0.41 0.63 -3.90 -0.67 3.00 -1.25 -2.29 116.66 112.58 1q7i n ARG 56 Ca 0.34 0.26 -0.26 0.00 -0.00 0.00 0.00 57.85 58.19 1q7i n ARG 56 Cb 0.34 -2.16 -0.03 0.00 0.00 0.00 0.00 32.46 30.61 1q7i n ARG 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1q7i n THR 58 N -0.54 0.00 -0.58 0.00 -2.24 -1.26 -1.77 114.28 107.89 1q7i n THR 58 Ca -0.07 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.81 1q7i n THR 58 Cb 0.54 -1.44 0.35 0.00 -2.10 0.00 0.00 70.33 67.68 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 3.61 2.73 0.24 3.38 0.00 -1.26 -1.01 105.19 112.87 1q7i n GLY 59 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 1.21 0.00 -4.22 1.61 6.02 -1.26 -4.65 117.38 116.09 1q7i n GLN 60 Ca 0.26 -0.38 -0.34 0.00 -0.01 0.00 0.00 57.00 56.52 1q7i n GLN 60 Cb 0.85 -0.26 -0.11 0.00 1.02 0.00 0.00 30.24 31.74 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 -0.25 5.14 0.01 1.08 1.04 -1.26 -4.97 113.70 114.50 1q7i s SER 61 Ca 0.00 -0.04 0.22 0.00 0.48 0.00 0.00 55.95 56.61 1q7i s SER 61 Cb 0.00 -1.86 -0.12 0.00 0.10 0.00 0.00 66.02 64.14 1q7i s SER 61 CO 0.00 0.17 0.89 0.00 0.98 0.00 0.00 173.24 175.28 1q7i n ALA 62 N 3.56 3.92 -3.11 5.32 0.00 -1.26 -4.44 120.51 124.50 1q7i n ALA 62 Ca -0.17 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1q7i n ALA 62 Cb 0.52 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.78 1.20 -3.68 0.00 8.00 -1.26 -0.89 116.55 118.14 1q7i n ASP 63 Ca 0.02 -0.51 -0.16 0.00 0.71 0.00 0.00 54.79 54.85 1q7i n ASP 63 Cb 0.41 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.36 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 5.17 1.36 -3.62 0.00 -0.04 -1.26 -5.03 135.00 131.58 1q7i n PRO 65 Ca -0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.09 1q7i n PRO 65 Cb 0.50 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.84 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 1.15 0.35 0.54 1.70 -1.26 -4.96 118.95 116.47 1q7i s ARG 66 Ca 0.00 -1.97 0.02 0.00 -0.47 0.00 0.00 55.73 53.31 1q7i s ARG 66 Cb 0.00 -2.04 0.63 0.00 -0.57 0.00 0.00 34.95 32.97 1q7i s ARG 66 CO 0.00 -1.22 2.00 -0.92 -1.08 0.00 0.00 175.30 174.08 1q7i h TYR 67 N 6.51 0.82 0.00 5.89 3.20 -1.96 -3.55 116.97 127.88 1q7i h TYR 67 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1q7i h TYR 67 Cb 0.92 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1q7i h TYR 67 CO 0.45 0.51 0.00 0.72 -1.64 0.00 0.00 178.16 178.20