#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r7h s SER 2 N 0.00 6.34 -0.19 6.12 0.01 -1.26 -5.00 113.70 119.72 1r7h s SER 2 Ca 0.00 0.28 -0.10 0.00 1.31 0.00 0.00 55.95 57.44 1r7h s SER 2 Cb 0.00 -2.25 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 1r7h s SER 2 CO 0.00 -0.31 0.13 -0.63 0.41 0.00 0.00 173.24 172.84 1r7h s ILE 3 N 2.25 5.42 -0.20 1.44 1.01 -1.26 -5.09 121.20 124.77 1r7h s ILE 3 Ca 0.18 0.20 0.01 0.00 0.00 0.00 0.00 60.65 61.05 1r7h s ILE 3 Cb -0.16 -3.47 0.04 0.00 0.01 0.00 0.00 42.46 38.89 1r7h s ILE 3 CO 0.11 0.46 -0.14 -0.89 0.00 0.00 0.00 174.94 174.48 1r7h s THR 4 N 0.21 1.88 -0.43 2.92 2.01 -1.26 -2.24 115.64 118.74 1r7h s THR 4 Ca 0.09 -1.11 -0.19 0.00 0.31 0.00 0.00 61.69 60.79 1r7h s THR 4 Cb -0.11 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.55 1r7h s THR 4 CO -0.01 0.25 0.54 -0.22 -0.69 0.00 0.00 174.62 174.49 1r7h s LEU 5 N 1.30 4.69 -0.45 4.42 2.96 -1.06 -4.98 118.68 125.56 1r7h s LEU 5 Ca -0.01 -0.52 -0.26 0.00 -0.22 0.00 0.00 54.13 53.12 1r7h s LEU 5 Cb -0.16 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 44.00 1r7h s LEU 5 CO -0.09 -0.69 0.95 -0.31 -1.32 0.00 0.00 176.35 174.89 1r7h s TYR 6 N 2.49 2.93 0.21 5.38 1.51 -1.26 -1.41 117.35 127.19 1r7h s TYR 6 Ca 0.17 0.46 0.02 0.00 -1.01 0.00 0.00 57.07 56.70 1r7h s TYR 6 Cb -0.16 -3.99 0.02 0.00 -0.11 0.00 0.00 41.96 37.72 1r7h s TYR 6 CO 0.16 -1.09 0.13 -2.37 -1.11 0.00 0.00 175.55 171.27 1r7h n THR 7 N 6.42 0.00 -3.61 -0.71 5.66 -0.66 -4.96 114.28 116.42 1r7h n THR 7 Ca 0.07 -0.86 -0.10 0.00 -3.05 0.00 0.00 64.05 60.11 1r7h n THR 7 Cb 0.48 -0.25 -0.06 0.00 -1.55 0.00 0.00 70.33 68.96 1r7h n THR 7 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1r7h s LYS 8 N -2.85 0.58 0.77 1.09 2.20 -1.26 -2.51 119.74 117.76 1r7h s LYS 8 Ca 0.10 0.44 -0.12 0.00 -0.36 0.00 0.00 55.97 56.04 1r7h s LYS 8 Cb -0.01 0.28 0.06 0.00 -1.51 0.00 0.00 37.83 36.65 1r7h s LYS 8 CO 0.06 -0.12 1.11 -1.25 -0.36 0.00 0.00 175.35 174.80 1r7h s PRO 9 N -0.31 2.12 -1.39 4.03 0.04 -1.26 -3.87 135.00 134.36 1r7h s PRO 9 Ca 0.01 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.28 1r7h s PRO 9 Cb -0.03 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1r7h s PRO 9 CO -0.02 -1.77 1.11 0.00 0.04 0.00 0.00 177.00 176.36 1r7h n ALA 10 N -3.38 -1.27 -3.80 8.56 0.00 -1.26 -4.97 120.51 114.38 1r7h n ALA 10 Ca 0.10 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.62 1r7h n ALA 10 Cb 0.52 -5.29 -0.15 0.00 0.00 0.00 0.00 19.45 14.53 1r7h n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r7h h VAL 12 N 6.53 1.30 0.00 0.00 2.07 -1.93 -2.64 116.25 121.58 1r7h h VAL 12 Ca -0.13 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 1r7h h VAL 12 Cb 1.04 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1r7h h VAL 12 CO 0.45 0.52 -0.04 1.56 0.02 0.00 0.00 177.57 180.08 1r7h h GLN 13 N 0.52 0.00 -0.10 1.57 4.20 -1.98 -1.33 115.11 117.99 1r7h h GLN 13 Ca 0.03 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 1r7h h GLN 13 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1r7h h GLN 13 CO 0.09 0.04 -0.31 0.00 -0.67 0.00 0.00 178.83 177.98 1r7h h THR 15 N -0.04 1.26 -0.21 0.00 2.02 -1.34 -2.00 112.91 112.60 1r7h h THR 15 Ca -0.01 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 65.93 1r7h h THR 15 Cb 0.93 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1r7h h THR 15 CO 0.07 0.41 -0.12 0.00 0.37 0.00 0.00 175.52 176.25 1r7h h ALA 16 N 1.11 1.41 -0.09 6.16 0.00 -1.31 -2.23 119.26 124.31 1r7h h ALA 16 Ca 0.13 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1r7h h ALA 16 Cb 0.60 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1r7h h ALA 16 CO 0.04 0.41 -0.72 1.15 0.00 0.00 0.00 179.25 180.13 1r7h h THR 17 N 0.32 1.37 -0.44 0.00 2.02 -1.13 -2.31 112.91 112.75 1r7h h THR 17 Ca 0.06 -2.11 -0.13 0.00 0.77 0.00 0.00 66.41 65.00 1r7h h THR 17 Cb 0.41 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1r7h h THR 17 CO 0.02 0.64 -0.26 0.11 0.37 0.00 0.00 175.52 176.40 1r7h h LYS 18 N 0.29 0.92 -0.15 6.66 1.57 -1.11 -2.15 116.57 122.60 1r7h h LYS 18 Ca -0.03 -0.41 -0.15 0.00 -1.87 0.00 0.00 60.65 58.19 1r7h h LYS 18 Cb 1.29 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1r7h h LYS 18 CO 0.12 1.07 -0.54 0.87 -0.57 0.00 0.00 179.45 180.40 1r7h h LYS 19 N 0.79 0.43 0.00 3.15 1.57 -1.41 -2.41 116.57 118.69 1r7h h LYS 19 Ca 0.09 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.50 1r7h h LYS 19 Cb 0.82 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1r7h h LYS 19 CO 0.07 0.86 -0.52 0.00 -0.57 0.00 0.00 179.45 179.29 1r7h h ALA 20 N 1.09 0.96 0.17 3.86 0.00 -1.32 -2.43 119.26 121.59 1r7h h ALA 20 Ca 0.01 -0.47 -0.30 0.00 0.00 0.00 0.00 54.91 54.15 1r7h h ALA 20 Cb 1.05 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.78 1r7h h ALA 20 CO 0.09 0.65 -1.33 -0.07 0.00 0.00 0.00 179.25 178.60 1r7h h LEU 21 N 0.00 0.60 -0.71 0.00 3.38 -1.29 -2.76 115.31 114.53 1r7h h LEU 21 Ca -0.01 -0.63 -0.14 0.00 0.09 0.00 0.00 57.88 57.19 1r7h h LEU 21 Cb 1.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1r7h h LEU 21 CO 0.07 1.49 -0.64 0.44 0.09 0.00 0.00 178.44 179.90 1r7h h ASP 22 N 0.11 0.05 1.25 -0.43 3.32 -1.44 -1.29 116.42 117.99 1r7h h ASP 22 Ca -0.18 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 1r7h h ASP 22 Cb 2.04 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.56 1r7h h ASP 22 CO 0.23 0.67 -0.38 0.03 -1.72 0.00 0.00 179.24 178.07 1r7h h ARG 23 N 0.03 0.00 -0.00 3.56 3.08 -1.51 -2.98 114.38 116.56 1r7h h ARG 23 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1r7h h ARG 23 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1r7h h ARG 23 CO 0.09 0.38 -0.20 0.00 -1.07 0.00 0.00 179.97 179.17 1r7h n ALA 24 N -2.23 2.91 -1.24 0.04 0.00 -1.04 -4.94 120.51 114.00 1r7h n ALA 24 Ca 0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.13 1r7h n ALA 24 Cb 0.60 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 1r7h n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r7h n GLY 25 N 1.39 0.76 3.79 0.00 0.00 -0.93 -5.01 105.19 105.18 1r7h n GLY 25 Ca 0.10 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 1r7h n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r7h s LEU 26 N -1.31 4.42 0.01 0.99 1.43 -0.53 -5.03 118.68 118.66 1r7h s LEU 26 Ca 0.00 1.01 -0.22 0.00 -1.03 0.00 0.00 54.13 53.89 1r7h s LEU 26 Cb 0.00 -2.73 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 1r7h s LEU 26 CO 0.00 0.19 0.65 0.00 0.23 0.00 0.00 176.35 177.41 1r7h s ALA 27 N -0.45 3.45 0.08 4.21 0.00 -1.26 -4.52 121.76 123.27 1r7h s ALA 27 Ca 0.26 0.10 -0.05 0.00 0.00 0.00 0.00 51.96 52.27 1r7h s ALA 27 Cb -0.17 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 1r7h s ALA 27 CO 0.14 0.13 0.10 1.52 0.00 0.00 0.00 175.76 177.65 1r7h s TYR 28 N -0.13 0.36 -0.20 0.00 -0.85 -1.26 -4.32 117.35 110.95 1r7h s TYR 28 Ca 0.33 -0.83 0.00 0.00 -0.52 0.00 0.00 57.07 56.06 1r7h s TYR 28 Cb -0.19 -0.22 0.02 0.00 0.38 0.00 0.00 41.96 41.95 1r7h s TYR 28 CO 0.19 -0.49 -0.16 0.54 -1.52 0.00 0.00 175.55 174.11 1r7h s ASN 29 N -2.90 3.49 0.27 -0.18 4.22 -0.95 -5.00 114.94 113.89 1r7h s ASN 29 Ca 0.08 -0.66 -0.25 0.00 -2.14 0.00 0.00 52.86 49.88 1r7h s ASN 29 Cb 0.06 -1.54 -0.09 0.00 1.28 0.00 0.00 41.25 40.96 1r7h s ASN 29 CO -0.09 -0.02 0.88 -0.89 -2.04 0.00 0.00 177.10 174.94 1r7h s THR 30 N 1.32 4.28 -0.25 0.54 2.01 -1.26 -2.57 115.64 119.70 1r7h s THR 30 Ca 0.04 1.75 -0.04 0.00 0.31 0.00 0.00 61.69 63.76 1r7h s THR 30 Cb -0.14 -4.05 0.08 0.00 0.01 0.00 0.00 72.50 68.40 1r7h s THR 30 CO -0.10 0.27 0.10 -0.69 -0.69 0.00 0.00 174.62 173.51 1r7h s VAL 31 N -1.46 0.13 -0.32 3.82 1.01 -0.50 -4.96 120.40 118.12 1r7h s VAL 31 Ca 0.45 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 1r7h s VAL 31 Cb -0.20 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1r7h s VAL 31 CO 0.25 -0.54 1.21 -0.62 0.00 0.00 0.00 175.10 175.40 1r7h s ASP 32 N 2.01 6.76 0.15 3.32 -1.08 -1.26 -1.66 116.67 124.91 1r7h s ASP 32 Ca 0.06 1.08 0.27 0.00 -0.52 0.00 0.00 52.55 53.44 1r7h s ASP 32 Cb -0.16 -2.54 0.94 0.00 -1.46 0.00 0.00 42.92 39.69 1r7h s ASP 32 CO -0.25 -1.03 1.81 2.30 0.52 0.00 0.00 175.17 178.53 1r7h n ILE 33 N 6.16 0.45 0.23 4.11 -5.35 -1.05 -2.49 119.36 121.42 1r7h n ILE 33 Ca 0.14 -0.17 0.11 0.00 -0.27 0.00 0.00 62.75 62.56 1r7h n ILE 33 Cb 0.47 -0.59 0.51 0.00 -1.74 0.00 0.00 39.64 38.28 1r7h n ILE 33 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1r7h h SER 34 N 0.00 0.00 0.07 7.28 4.64 -1.91 -3.23 113.55 120.40 1r7h h SER 34 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1r7h h SER 34 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1r7h h SER 34 CO 0.00 0.17 -1.98 0.18 -0.87 0.00 0.00 176.83 174.33 1r7h n LEU 35 N -3.34 0.07 -4.10 5.97 4.77 -1.07 -4.89 117.00 114.41 1r7h n LEU 35 Ca 0.00 0.03 -0.33 0.00 -0.03 0.00 0.00 56.01 55.68 1r7h n LEU 35 Cb 0.40 0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1r7h n LEU 35 CO 0.32 0.06 -0.39 -0.62 -1.33 0.00 0.00 177.39 175.43 1r7h s ASP 36 N -4.73 4.70 0.15 -1.43 -1.08 -1.04 -4.99 116.67 108.25 1r7h s ASP 36 Ca -0.08 -1.52 -0.12 0.00 -0.52 0.00 0.00 52.55 50.31 1r7h s ASP 36 Cb 0.13 -1.63 0.00 0.00 -1.46 0.00 0.00 42.92 39.95 1r7h s ASP 36 CO 0.89 -0.27 1.56 0.44 0.52 0.00 0.00 175.17 178.31 1r7h h ASP 37 N 7.84 0.90 -0.32 -0.34 5.19 -1.91 -1.85 116.42 125.93 1r7h h ASP 37 Ca -0.17 -0.36 -0.02 0.00 -0.62 0.00 0.00 57.03 55.86 1r7h h ASP 37 Cb 1.04 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.29 1r7h h ASP 37 CO 0.51 1.06 0.14 -0.33 -3.12 0.00 0.00 179.24 177.49 1r7h h GLU 38 N 0.74 0.54 -0.12 3.56 5.08 -1.94 -1.31 114.58 121.14 1r7h h GLU 38 Ca 0.12 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 1r7h h GLU 38 Cb 0.66 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1r7h h GLU 38 CO 0.05 0.46 -0.63 0.00 -1.00 0.00 0.00 179.01 177.88 1r7h h ALA 39 N 1.62 0.68 -0.35 3.43 0.00 -1.86 -1.77 119.26 121.00 1r7h h ALA 39 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1r7h h ALA 39 Cb 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1r7h h ALA 39 CO -0.01 0.72 0.23 -0.09 0.00 0.00 0.00 179.25 180.10 1r7h h ARG 40 N 0.32 0.47 -0.45 0.00 2.43 -0.74 -2.52 114.38 113.89 1r7h h ARG 40 Ca -0.01 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 1r7h h ARG 40 Cb 1.18 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1r7h h ARG 40 CO 0.11 0.33 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.35 1r7h h ASP 41 N 0.47 0.82 0.13 -3.80 3.32 -1.19 -2.30 116.42 113.87 1r7h h ASP 41 Ca 0.13 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1r7h h ASP 41 Cb -0.03 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1r7h h ASP 41 CO -0.03 0.95 -0.11 0.22 -1.72 0.00 0.00 179.24 178.56 1r7h h TYR 42 N 0.75 -0.29 -0.73 4.55 3.20 -1.24 -0.64 116.97 122.57 1r7h h TYR 42 Ca 0.12 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.08 1r7h h TYR 42 Cb 0.61 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.93 1r7h h TYR 42 CO 0.03 -0.17 0.39 0.28 -1.64 0.00 0.00 178.16 177.05 1r7h h VAL 43 N -0.26 0.90 -0.06 1.81 2.07 -1.34 -2.55 116.25 116.83 1r7h h VAL 43 Ca -0.00 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.14 1r7h h VAL 43 Cb 0.24 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1r7h h VAL 43 CO -0.02 0.12 -0.62 0.24 0.02 0.00 0.00 177.57 177.31 1r7h h MET 44 N 0.68 0.22 -0.02 1.57 2.86 -1.16 -2.64 114.93 116.43 1r7h h MET 44 Ca 0.35 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.74 1r7h h MET 44 Cb 0.31 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1r7h h MET 44 CO -0.24 0.77 -0.41 0.00 1.06 0.00 0.00 176.91 178.10 1r7h h ALA 45 N 1.19 1.28 0.00 6.32 0.00 -0.80 -2.50 119.26 124.77 1r7h h ALA 45 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1r7h h ALA 45 Cb 1.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1r7h h ALA 45 CO 0.10 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.15 1r7h n LEU 46 N -4.05 0.00 0.00 0.00 4.77 -0.99 -4.90 117.00 111.83 1r7h n LEU 46 Ca -0.02 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1r7h n LEU 46 Cb 0.44 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1r7h n LEU 46 CO 0.40 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1r7h n GLY 47 N 1.23 1.15 1.83 -0.72 0.00 -0.94 -5.00 105.19 102.75 1r7h n GLY 47 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 1r7h n GLY 47 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r7h n TYR 48 N -1.34 2.12 -4.00 1.61 4.02 -1.01 -4.77 117.16 113.80 1r7h n TYR 48 Ca 0.00 -1.09 -0.35 0.00 -0.01 0.00 0.00 57.90 56.46 1r7h n TYR 48 Cb 0.00 -0.63 -0.10 0.00 -0.02 0.00 0.00 39.34 38.60 1r7h n TYR 48 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1r7h s VAL 49 N -2.59 4.83 -0.44 -0.72 0.11 -1.26 -4.78 120.40 115.54 1r7h s VAL 49 Ca 0.46 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 59.20 1r7h s VAL 49 Cb 0.37 -3.17 0.03 0.00 -1.53 0.00 0.00 36.38 32.07 1r7h s VAL 49 CO 0.11 0.47 1.15 -1.10 -3.33 0.00 0.00 175.10 172.40 1r7h s GLN 50 N 0.31 3.77 0.09 1.54 -0.21 -1.26 -5.02 119.66 118.89 1r7h s GLN 50 Ca 0.04 0.69 0.08 0.00 0.02 0.00 0.00 55.36 56.18 1r7h s GLN 50 Cb -0.12 -3.89 -0.03 0.00 1.00 0.00 0.00 33.01 29.97 1r7h s GLN 50 CO 0.00 -1.31 -0.20 0.00 -2.12 0.00 0.00 175.29 171.66 1r7h s ALA 51 N 4.39 1.72 0.77 6.09 0.00 -1.26 -4.41 121.76 129.06 1r7h s ALA 51 Ca 0.49 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1r7h s ALA 51 Cb -0.09 -0.24 0.07 0.00 0.00 0.00 0.00 23.12 22.86 1r7h s ALA 51 CO 0.29 0.34 1.13 -1.25 0.00 0.00 0.00 175.76 176.27 1r7h s PRO 52 N -1.79 2.11 -0.18 0.00 0.04 -1.26 -4.26 135.00 129.66 1r7h s PRO 52 Ca 0.05 0.06 0.01 0.00 0.04 0.00 0.00 61.00 61.17 1r7h s PRO 52 Cb -0.10 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1r7h s PRO 52 CO 0.04 -1.45 -0.20 0.08 0.04 0.00 0.00 177.00 175.51 1r7h s VAL 53 N -3.48 2.08 0.03 -0.36 1.01 -1.26 -1.65 120.40 116.77 1r7h s VAL 53 Ca 0.61 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1r7h s VAL 53 Cb -0.11 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 1r7h s VAL 53 CO 0.48 0.53 0.26 -0.69 0.00 0.00 0.00 175.10 175.68 1r7h s VAL 54 N 1.29 5.32 -0.11 2.92 1.01 -0.64 -4.99 120.40 125.20 1r7h s VAL 54 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1r7h s VAL 54 Cb -0.13 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1r7h s VAL 54 CO -0.13 0.29 0.05 -0.70 0.00 0.00 0.00 175.10 174.60 1r7h s GLU 55 N -2.01 0.28 -0.12 2.72 -6.30 -1.26 -2.36 118.70 109.65 1r7h s GLU 55 Ca 0.30 0.05 0.01 0.00 -2.50 0.00 0.00 54.97 52.83 1r7h s GLU 55 Cb -0.13 -1.24 0.02 0.00 0.00 0.00 0.00 34.13 32.78 1r7h s GLU 55 CO 0.19 -0.46 -0.13 0.08 0.02 0.00 0.00 175.26 174.97 1r7h s VAL 56 N 2.05 1.38 -1.59 3.70 1.01 -0.75 -4.88 120.40 121.33 1r7h s VAL 56 Ca 0.03 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 1r7h s VAL 56 Cb -0.14 -1.30 0.11 0.00 0.00 0.00 0.00 36.38 35.05 1r7h s VAL 56 CO -0.06 0.42 0.87 0.47 0.00 0.00 0.00 175.10 176.80 1r7h n ASP 57 N 4.51 -3.86 0.00 3.32 8.00 -1.26 -1.13 116.55 126.14 1r7h n ASP 57 Ca -0.17 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1r7h n ASP 57 Cb 0.51 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 1r7h n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r7h n GLY 58 N -1.59 2.42 3.73 0.44 0.00 -1.26 -5.02 105.19 103.90 1r7h n GLY 58 Ca 0.02 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 1r7h n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r7h s GLU 59 N 0.00 2.45 0.01 1.61 2.12 -0.28 -5.06 118.70 119.55 1r7h s GLU 59 Ca 0.00 1.96 -0.05 0.00 0.36 0.00 0.00 54.97 57.24 1r7h s GLU 59 Cb 0.00 -1.85 -0.01 0.00 0.26 0.00 0.00 34.13 32.54 1r7h s GLU 59 CO 0.00 -1.65 0.09 -1.01 -0.54 0.00 0.00 175.26 172.14 1r7h s HIS 60 N -1.58 0.12 0.26 5.30 3.76 -1.26 -1.80 115.29 120.09 1r7h s HIS 60 Ca 0.80 -0.29 -0.19 0.00 -0.15 0.00 0.00 55.06 55.23 1r7h s HIS 60 Cb -0.35 -0.10 0.02 0.00 1.11 0.00 0.00 32.58 33.26 1r7h s HIS 60 CO 0.41 -0.27 0.63 1.67 -0.85 0.00 0.00 174.74 176.33 1r7h s TRP 61 N -1.57 -0.05 0.25 1.40 -2.14 -0.99 -5.02 118.94 110.81 1r7h s TRP 61 Ca -0.14 -0.36 0.03 0.00 2.66 0.00 0.00 56.10 58.29 1r7h s TRP 61 Cb -0.07 0.54 -0.05 0.00 -3.10 0.00 0.00 33.47 30.78 1r7h s TRP 61 CO 0.00 -1.13 0.03 -1.54 -2.66 0.00 0.00 176.95 171.65 1r7h s SER 62 N -2.93 1.76 0.06 -2.66 1.04 -1.26 -1.63 113.70 108.07 1r7h s SER 62 Ca 0.13 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1r7h s SER 62 Cb -0.04 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.11 1r7h s SER 62 CO 0.06 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1r7h n GLY 63 N -0.47 -1.39 3.60 7.32 0.00 -0.66 -4.73 105.19 108.87 1r7h n GLY 63 Ca -0.04 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 1r7h n GLY 63 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1r7h s PHE 64 N -1.23 3.07 -0.46 1.61 5.36 -1.26 -4.49 117.98 120.58 1r7h s PHE 64 Ca 0.00 0.78 0.03 0.00 -0.96 0.00 0.00 56.93 56.78 1r7h s PHE 64 Cb 0.00 -3.70 0.14 0.00 -0.34 0.00 0.00 43.02 39.12 1r7h s PHE 64 CO 0.00 -0.85 0.26 1.03 -1.46 0.00 0.00 175.22 174.20 1r7h s ARG 65 N 3.54 1.42 0.49 10.12 0.52 -1.26 -4.96 118.95 128.81 1r7h s ARG 65 Ca 0.39 -2.15 0.26 0.00 -0.52 0.00 0.00 55.73 53.71 1r7h s ARG 65 Cb -0.12 -2.48 1.23 0.00 0.52 0.00 0.00 34.95 34.11 1r7h s ARG 65 CO 0.19 -1.17 1.96 -1.00 0.02 0.00 0.00 175.30 175.31 1r7h h PRO 66 N 6.59 0.00 -0.31 3.54 0.13 -2.00 -2.98 132.00 136.98 1r7h h PRO 66 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 1r7h h PRO 66 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1r7h h PRO 66 CO 0.52 0.16 0.05 0.93 -0.23 0.00 0.00 178.00 179.43 1r7h h GLU 67 N 0.00 0.51 -0.07 0.86 3.07 -2.01 -2.70 114.58 114.24 1r7h h GLU 67 Ca -0.00 -0.14 -0.11 0.00 -0.50 0.00 0.00 59.36 58.61 1r7h h GLU 67 Cb 0.52 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1r7h h GLU 67 CO 0.02 0.60 -0.45 0.00 -1.40 0.00 0.00 179.01 177.79 1r7h h ARG 68 N 0.33 0.16 -0.30 2.33 2.47 -1.97 -3.02 114.38 114.38 1r7h h ARG 68 Ca 0.09 -0.08 -0.11 0.00 -1.26 0.00 0.00 59.98 58.62 1r7h h ARG 68 Cb 0.34 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1r7h h ARG 68 CO 0.01 0.58 -0.28 0.82 0.56 0.00 0.00 179.97 181.66 1r7h h ILE 69 N 0.13 1.28 -0.51 2.04 2.04 -1.42 -2.76 117.51 118.30 1r7h h ILE 69 Ca 0.01 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 1r7h h ILE 69 Cb 0.85 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1r7h h ILE 69 CO 0.07 0.44 0.10 0.11 0.00 0.00 0.00 178.15 178.87 1r7h h LYS 70 N 0.53 0.78 0.00 2.37 1.57 -1.36 -2.87 116.57 117.60 1r7h h LYS 70 Ca 0.07 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1r7h h LYS 70 Cb 0.75 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1r7h h LYS 70 CO 0.06 0.73 -0.16 1.96 -0.57 0.00 0.00 179.45 181.46 1r7h h GLN 71 N 0.75 0.00 -0.04 3.15 4.20 -1.38 -2.70 115.11 119.10 1r7h h GLN 71 Ca 0.16 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.72 1r7h h GLN 71 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1r7h h GLN 71 CO 0.00 0.16 -0.69 -0.07 -0.67 0.00 0.00 178.83 177.57 1r7h h LEU 72 N 0.00 0.21 -0.95 1.46 3.38 -1.41 -2.96 115.31 115.05 1r7h h LEU 72 Ca -0.00 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1r7h h LEU 72 Cb 0.46 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1r7h h LEU 72 CO 0.02 0.84 0.11 1.56 0.09 0.00 0.00 178.44 181.06 1r7h h GLN 73 N 0.12 0.88 -0.01 1.13 4.20 -1.52 -3.52 115.11 116.38 1r7h h GLN 73 Ca -0.02 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1r7h h GLN 73 Cb 1.23 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1r7h h GLN 73 CO 0.10 0.80 0.00 0.00 -0.67 0.00 0.00 178.83 179.07