#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8p s THR 2 N 0.00 0.00 -0.00 2.03 -1.32 -1.11 -4.95 115.64 110.29 1r8p s THR 2 Ca 0.00 -1.68 -0.00 0.00 -1.21 0.00 0.00 61.69 58.80 1r8p s THR 2 Cb 0.00 -2.37 -0.04 0.00 -1.51 0.00 0.00 72.50 68.58 1r8p s THR 2 CO 0.00 0.00 0.08 -2.16 -2.21 0.00 0.00 174.62 170.33 1r8p s PRO 3 N -3.99 3.04 0.11 7.08 0.04 -1.25 -3.15 135.00 136.88 1r8p s PRO 3 Ca 0.30 -0.50 -0.05 0.00 0.04 0.00 0.00 61.00 60.79 1r8p s PRO 3 Cb 0.03 -2.84 -0.02 0.00 0.04 0.00 0.00 34.50 31.70 1r8p s PRO 3 CO 0.12 0.64 0.13 0.96 0.04 0.00 0.00 177.00 178.89 1r8p s ILE 4 N -1.20 0.13 -0.10 0.56 -4.36 -1.22 -2.76 121.20 112.25 1r8p s ILE 4 Ca 0.23 -1.56 -0.05 0.00 -0.26 0.00 0.00 60.65 59.02 1r8p s ILE 4 Cb -0.12 -1.68 0.05 0.00 1.25 0.00 0.00 42.46 41.96 1r8p s ILE 4 CO 0.14 -0.60 0.22 0.54 0.24 0.00 0.00 174.94 175.49 1r8p s VAL 5 N -3.95 -0.12 -0.28 8.37 0.11 -1.16 -3.51 120.40 119.86 1r8p s VAL 5 Ca 0.13 0.19 -0.09 0.00 -2.93 0.00 0.00 61.98 59.29 1r8p s VAL 5 Cb 0.06 -0.36 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1r8p s VAL 5 CO -0.05 0.08 0.13 -1.00 -3.33 0.00 0.00 175.10 170.93 1r8p s HIS 6 N 1.53 3.15 0.12 1.54 3.76 -1.24 -2.74 115.29 121.41 1r8p s HIS 6 Ca -0.06 -0.36 0.07 0.00 -0.15 0.00 0.00 55.06 54.55 1r8p s HIS 6 Cb -0.11 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 1r8p s HIS 6 CO -0.08 -0.35 -0.06 -0.48 -0.85 0.00 0.00 174.74 172.92 1r8p s LEU 7 N 1.65 3.20 0.06 0.89 0.05 -1.21 -2.00 118.68 121.32 1r8p s LEU 7 Ca 0.06 -0.34 -0.00 0.00 0.05 0.00 0.00 54.13 53.90 1r8p s LEU 7 Cb -0.16 -1.95 -0.04 0.00 -2.05 0.00 0.00 46.19 41.99 1r8p s LEU 7 CO 0.06 0.16 -0.04 -0.75 -0.55 0.00 0.00 176.35 175.23 1r8p s LYS 8 N -2.38 0.66 0.00 1.48 2.47 -1.20 -3.13 119.74 117.64 1r8p s LYS 8 Ca 0.24 -1.21 0.00 0.00 -1.56 0.00 0.00 55.97 53.44 1r8p s LYS 8 Cb -0.11 0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.34 1r8p s LYS 8 CO 0.16 -0.08 0.00 0.41 0.16 0.00 0.00 175.35 176.00 1r8p n GLY 9 N 0.17 -1.60 3.77 5.54 0.00 -1.25 -3.84 105.19 107.97 1r8p n GLY 9 Ca -0.14 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 1r8p n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r8p s ASP 10 N -2.18 6.43 0.01 1.61 1.01 -1.26 -4.58 116.67 117.71 1r8p s ASP 10 Ca 0.00 2.74 -0.02 0.00 0.71 0.00 0.00 52.55 55.97 1r8p s ASP 10 Cb 0.00 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 1r8p s ASP 10 CO 0.00 -0.78 1.04 0.00 0.21 0.00 0.00 175.17 175.64 1r8p h ALA 11 N 2.91 -0.55 -0.81 5.23 0.00 -1.92 -0.99 119.26 123.13 1r8p h ALA 11 Ca -0.50 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.60 1r8p h ALA 11 Cb 1.24 0.52 -0.12 0.00 0.00 0.00 0.00 17.79 19.42 1r8p h ALA 11 CO 0.64 -0.56 0.22 -0.91 0.00 0.00 0.00 179.25 178.64 1r8p h ASN 12 N -0.05 0.04 -0.05 0.00 4.21 -2.01 0.75 115.58 118.47 1r8p h ASN 12 Ca 0.00 0.17 0.01 0.00 1.21 0.00 0.00 56.30 57.69 1r8p h ASN 12 Cb 0.05 0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.47 1r8p h ASN 12 CO -0.02 -0.07 0.10 0.74 -1.29 0.00 0.00 177.43 176.88 1r8p h THR 13 N 0.27 0.26 0.00 2.81 2.02 -1.78 -0.86 112.91 115.63 1r8p h THR 13 Ca 0.48 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.47 1r8p h THR 13 Cb 0.88 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1r8p h THR 13 CO -0.57 0.00 -0.90 -0.07 0.37 0.00 0.00 175.52 174.35 1r8p h LEU 14 N 0.00 0.00 -1.56 2.58 3.38 0.19 -3.24 115.31 116.66 1r8p h LEU 14 Ca 0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1r8p h LEU 14 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1r8p h LEU 14 CO -0.00 0.90 0.31 0.50 0.09 0.00 0.00 178.44 180.24 1r8p h LYS 15 N 0.00 0.58 -0.14 1.13 3.64 -1.02 -2.54 116.57 118.23 1r8p h LYS 15 Ca -0.01 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 1r8p h LYS 15 Cb 1.61 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.30 1r8p h LYS 15 CO 0.12 0.38 -0.17 0.00 -2.27 0.00 0.00 179.45 177.51 1r8p h LEU 17 N -0.03 -0.38 -1.34 0.00 4.07 -1.56 -1.66 115.31 114.41 1r8p h LEU 17 Ca 0.02 0.03 0.20 0.00 0.08 0.00 0.00 57.88 58.21 1r8p h LEU 17 Cb 0.72 0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.55 1r8p h LEU 17 CO 0.04 -0.23 0.90 -0.09 -1.08 0.00 0.00 178.44 177.98 1r8p h ARG 18 N -0.36 0.00 -0.67 1.13 2.43 -1.54 0.48 114.38 115.85 1r8p h ARG 18 Ca -0.01 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1r8p h ARG 18 Cb 0.31 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1r8p h ARG 18 CO 0.00 0.00 0.14 -0.92 -1.51 0.00 0.00 179.97 177.68 1r8p h TYR 19 N 0.00 1.15 0.00 2.20 3.20 -1.36 -2.34 116.97 119.82 1r8p h TYR 19 Ca 0.33 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1r8p h TYR 19 Cb 2.13 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 40.08 1r8p h TYR 19 CO 0.00 0.95 -0.08 0.00 -1.64 0.00 0.00 178.16 177.39 1r8p h ARG 20 N 1.02 0.00 -0.08 1.82 3.08 -0.15 -2.96 114.38 117.11 1r8p h ARG 20 Ca 0.21 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 1r8p h ARG 20 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1r8p h ARG 20 CO 0.01 0.08 -0.27 0.74 -1.07 0.00 0.00 179.97 179.45 1r8p h PHE 21 N 0.00 0.16 -0.31 3.04 -1.00 -1.32 -2.53 116.94 114.97 1r8p h PHE 21 Ca -0.00 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 1r8p h PHE 21 Cb 0.70 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.21 1r8p h PHE 21 CO 0.00 0.41 0.01 0.87 -1.61 0.00 0.00 178.31 177.99 1r8p h LYS 22 N 0.13 0.47 -0.03 1.51 1.79 -1.50 -2.65 116.57 116.30 1r8p h LYS 22 Ca 0.02 -0.09 -0.21 0.00 -2.18 0.00 0.00 60.65 58.19 1r8p h LYS 22 Cb 0.56 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1r8p h LYS 22 CO 0.04 0.50 -0.86 0.87 -1.08 0.00 0.00 179.45 178.92 1r8p h LYS 23 N 0.46 0.38 -1.34 3.15 1.79 -1.60 -3.21 116.57 116.19 1r8p h LYS 23 Ca 0.10 -0.38 -0.50 0.00 -2.18 0.00 0.00 60.65 57.69 1r8p h LYS 23 Cb 0.29 0.10 -0.21 0.00 -1.58 0.00 0.00 32.23 30.83 1r8p h LYS 23 CO 0.01 1.04 0.64 0.72 -1.08 0.00 0.00 179.45 180.78 1r8p n HIS 24 N -3.77 2.33 0.31 -1.35 8.25 -1.01 -4.58 115.22 115.40 1r8p n HIS 24 Ca -0.05 -2.44 0.19 0.00 -0.26 0.00 0.00 57.72 55.16 1r8p n HIS 24 Cb 0.79 -1.21 1.02 0.00 1.12 0.00 0.00 29.99 31.71 1r8p n HIS 24 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r8p n THR 26 N -3.23 0.96 -0.11 0.00 -2.24 -1.26 -4.32 114.28 104.08 1r8p n THR 26 Ca -0.02 -0.86 -0.24 0.00 -2.27 0.00 0.00 64.05 60.67 1r8p n THR 26 Cb 0.20 0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.66 1r8p n THR 26 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1r8p n LEU 27 N 1.24 1.93 -5.00 3.22 4.77 0.63 -4.97 117.00 118.82 1r8p n LEU 27 Ca 0.21 0.39 -0.18 0.00 -0.03 0.00 0.00 56.01 56.39 1r8p n LEU 27 Cb 0.57 -0.94 0.01 0.00 -2.33 0.00 0.00 43.42 40.73 1r8p n LEU 27 CO 0.15 0.38 0.16 -0.72 -1.33 0.00 0.00 177.39 176.03 1r8p s TYR 28 N -2.41 2.91 -0.19 -1.77 -0.85 -1.25 -4.75 117.35 109.04 1r8p s TYR 28 Ca -0.31 -0.28 0.15 0.00 -0.52 0.00 0.00 57.07 56.11 1r8p s TYR 28 Cb 0.08 -2.33 -0.24 0.00 0.38 0.00 0.00 41.96 39.86 1r8p s TYR 28 CO 0.58 -0.37 0.09 2.41 -1.52 0.00 0.00 175.55 176.74 1r8p n THR 29 N -1.87 1.43 -3.46 -3.49 -1.04 0.50 -4.95 114.28 101.41 1r8p n THR 29 Ca 0.06 -0.82 -0.00 0.00 -2.04 0.00 0.00 64.05 61.25 1r8p n THR 29 Cb 0.59 -0.65 -0.04 0.00 -1.82 0.00 0.00 70.33 68.41 1r8p n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r8p s ALA 30 N -2.50 -2.02 -0.02 2.41 0.00 -1.23 -4.99 121.76 113.40 1r8p s ALA 30 Ca -0.13 2.06 -0.19 0.00 0.00 0.00 0.00 51.96 53.70 1r8p s ALA 30 Cb 0.07 -1.88 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 1r8p s ALA 30 CO 0.80 -1.07 0.54 0.54 0.00 0.00 0.00 175.76 176.57 1r8p s VAL 31 N 2.85 4.97 0.16 0.00 0.11 -1.26 -3.20 120.40 124.04 1r8p s VAL 31 Ca 0.05 1.12 0.06 0.00 -2.93 0.00 0.00 61.98 60.27 1r8p s VAL 31 Cb -0.13 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 30.81 1r8p s VAL 31 CO -0.19 0.43 0.06 -0.44 -3.33 0.00 0.00 175.10 171.63 1r8p s SER 32 N -0.22 5.13 0.97 3.54 0.01 -1.21 -5.08 113.70 116.83 1r8p s SER 32 Ca 0.29 -0.26 -0.11 0.00 1.31 0.00 0.00 55.95 57.18 1r8p s SER 32 Cb -0.17 -1.22 0.18 0.00 0.21 0.00 0.00 66.02 65.01 1r8p s SER 32 CO 0.15 0.09 1.11 -0.55 0.41 0.00 0.00 173.24 174.45 1r8p s SER 33 N -2.94 2.49 0.15 2.44 0.15 -1.26 -4.51 113.70 110.22 1r8p s SER 33 Ca 0.29 1.98 -0.31 0.00 0.70 0.00 0.00 55.95 58.61 1r8p s SER 33 Cb -0.10 -2.49 -0.09 0.00 -1.71 0.00 0.00 66.02 61.64 1r8p s SER 33 CO 0.21 -3.33 1.41 0.28 1.20 0.00 0.00 173.24 173.00 1r8p s THR 34 N -2.62 3.13 0.07 6.45 -1.32 -1.26 -4.68 115.64 115.40 1r8p s THR 34 Ca 0.67 0.84 -0.09 0.00 -1.21 0.00 0.00 61.69 61.90 1r8p s THR 34 Cb -0.23 -3.54 0.00 0.00 -1.51 0.00 0.00 72.50 67.22 1r8p s THR 34 CO 0.60 0.08 0.20 -1.66 -2.21 0.00 0.00 174.62 171.62 1r8p s TRP 35 N 0.87 0.10 0.13 9.09 1.48 0.66 -4.79 118.94 126.48 1r8p s TRP 35 Ca 0.64 -0.43 -0.06 0.00 -1.06 0.00 0.00 56.10 55.19 1r8p s TRP 35 Cb -0.38 -0.04 0.02 0.00 -1.16 0.00 0.00 33.47 31.91 1r8p s TRP 35 CO 0.33 -0.49 0.33 -2.39 -4.06 0.00 0.00 176.95 170.66 1r8p n HIS 36 N 0.29 -1.32 -2.74 1.66 1.44 -1.26 -2.62 115.22 110.67 1r8p n HIS 36 Ca -0.17 -0.63 -0.40 0.00 -2.01 0.00 0.00 57.72 54.50 1r8p n HIS 36 Cb 0.61 0.32 -0.06 0.00 0.12 0.00 0.00 29.99 30.98 1r8p n HIS 36 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1r8p s TRP 37 N -5.85 3.95 -0.21 -1.40 0.23 -1.26 -4.96 118.94 109.43 1r8p s TRP 37 Ca 0.07 1.89 0.11 0.00 -2.03 0.00 0.00 56.10 56.14 1r8p s TRP 37 Cb -0.02 -3.00 0.43 0.00 0.03 0.00 0.00 33.47 30.91 1r8p s TRP 37 CO 0.04 0.40 1.22 0.25 0.96 0.00 0.00 176.95 179.81 1r8p n THR 38 N 1.77 2.20 0.00 2.01 -2.24 -1.26 -4.87 114.28 111.89 1r8p n THR 38 Ca -0.01 -3.31 0.00 0.00 -2.27 0.00 0.00 64.05 58.46 1r8p n THR 38 Cb 0.47 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1r8p n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r8p n GLY 39 N -1.04 0.81 0.28 3.38 0.00 -1.26 -4.96 105.19 102.40 1r8p n GLY 39 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1r8p n GLY 39 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1r8p n HIS 40 N 0.00 0.00 -1.01 1.61 1.44 -1.26 -4.65 115.22 111.35 1r8p n HIS 40 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 1r8p n HIS 40 Cb 0.00 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 1r8p n HIS 40 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1r8p n ASN 41 N 0.16 5.91 -3.64 4.39 5.15 -1.26 -4.76 115.26 121.21 1r8p n ASN 41 Ca 0.04 -2.81 -0.11 0.00 -0.60 0.00 0.00 54.58 51.10 1r8p n ASN 41 Cb 0.20 -1.22 -0.11 0.00 -0.53 0.00 0.00 39.78 38.11 1r8p n ASN 41 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1r8p s VAL 42 N -0.92 -0.52 0.22 3.44 -7.23 -1.26 -5.03 120.40 109.09 1r8p s VAL 42 Ca 0.42 0.21 -0.12 0.00 -1.81 0.00 0.00 61.98 60.68 1r8p s VAL 42 Cb 0.25 -0.55 0.25 0.00 0.56 0.00 0.00 36.38 36.88 1r8p s VAL 42 CO -0.06 0.08 1.63 0.50 -0.31 0.00 0.00 175.10 176.93 1r8p h LYS 43 N 8.24 0.02 0.00 4.82 3.64 -1.99 -3.42 116.57 127.87 1r8p h LYS 43 Ca -0.15 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1r8p h LYS 43 Cb 1.11 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1r8p h LYS 43 CO 0.14 0.01 0.00 1.58 -2.27 0.00 0.00 179.45 178.91 1r8p n HIS 44 N -5.42 -0.03 -2.55 1.91 -0.00 -1.26 -5.16 115.22 102.70 1r8p n HIS 44 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 1r8p n HIS 44 Cb 0.35 0.36 0.00 0.00 -0.00 0.00 0.00 29.99 30.70 1r8p n HIS 44 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1r8p n LYS 45 N -2.09 1.71 -3.81 1.57 4.76 -1.26 -5.13 118.16 113.91 1r8p n LYS 45 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 1r8p n LYS 45 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 1r8p n LYS 45 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1r8p n SER 46 N 0.00 -1.46 -3.29 4.39 2.88 -1.26 -4.95 113.62 109.94 1r8p n SER 46 Ca 0.00 -1.62 0.03 0.00 -1.33 0.00 0.00 58.87 55.94 1r8p n SER 46 Cb 0.00 2.33 -0.04 0.00 -0.75 0.00 0.00 64.21 65.75 1r8p n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r8p s ALA 47 N -1.98 -3.02 -0.08 -1.46 0.00 -1.26 -4.90 121.76 109.06 1r8p s ALA 47 Ca 0.24 1.87 -0.05 0.00 0.00 0.00 0.00 51.96 54.03 1r8p s ALA 47 Cb -0.02 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 20.93 1r8p s ALA 47 CO 0.03 -1.03 0.19 0.42 0.00 0.00 0.00 175.76 175.37 1r8p s ILE 48 N 2.37 -0.03 -0.10 0.00 1.01 -1.08 -3.78 121.20 119.59 1r8p s ILE 48 Ca -0.01 0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.78 1r8p s ILE 48 Cb -0.05 -0.29 -0.00 0.00 0.01 0.00 0.00 42.46 42.13 1r8p s ILE 48 CO -0.16 0.04 -0.24 -0.69 0.00 0.00 0.00 174.94 173.89 1r8p s VAL 49 N 0.80 2.10 0.29 2.92 1.01 -1.18 -0.25 120.40 126.09 1r8p s VAL 49 Ca -0.06 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 1r8p s VAL 49 Cb -0.07 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1r8p s VAL 49 CO -0.04 0.56 0.51 -0.89 0.00 0.00 0.00 175.10 175.23 1r8p s THR 50 N 0.31 5.10 -0.04 3.92 2.01 -1.26 -3.31 115.64 122.37 1r8p s THR 50 Ca -0.18 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1r8p s THR 50 Cb -0.18 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.58 1r8p s THR 50 CO 0.09 -0.36 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.86 1r8p s LEU 51 N -3.75 1.32 -0.16 4.42 1.43 -1.11 -3.36 118.68 117.47 1r8p s LEU 51 Ca 0.41 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.28 1r8p s LEU 51 Cb -0.10 -0.40 -0.05 0.00 0.03 0.00 0.00 46.19 45.66 1r8p s LEU 51 CO 0.32 -0.06 0.25 0.42 0.23 0.00 0.00 176.35 177.51 1r8p s THR 52 N 0.90 5.33 0.21 5.49 -4.23 -1.19 -3.00 115.64 119.15 1r8p s THR 52 Ca -0.11 0.46 0.11 0.00 -1.18 0.00 0.00 61.69 60.97 1r8p s THR 52 Cb -0.14 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 1r8p s THR 52 CO -0.00 0.42 -0.19 -0.31 -0.54 0.00 0.00 174.62 174.00 1r8p s TYR 53 N 0.31 2.39 -0.97 3.99 1.51 -1.11 0.19 117.35 123.66 1r8p s TYR 53 Ca 0.15 -0.32 0.16 0.00 -1.01 0.00 0.00 57.07 56.05 1r8p s TYR 53 Cb -0.13 -1.14 0.68 0.00 -0.11 0.00 0.00 41.96 41.27 1r8p s TYR 53 CO 0.03 0.56 1.51 -0.25 -1.11 0.00 0.00 175.55 176.29 1r8p n ASP 54 N -0.03 0.05 -3.64 2.29 8.00 -1.26 -3.91 116.55 118.05 1r8p n ASP 54 Ca -0.10 0.51 -0.03 0.00 0.71 0.00 0.00 54.79 55.87 1r8p n ASP 54 Cb 0.57 -0.52 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 1r8p n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1r8p s SER 55 N -3.09 -0.18 0.22 -2.24 1.04 -1.26 -4.92 113.70 103.27 1r8p s SER 55 Ca 0.07 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1r8p s SER 55 Cb 0.10 0.33 0.22 0.00 0.10 0.00 0.00 66.02 66.77 1r8p s SER 55 CO 0.29 -0.59 1.57 -0.33 0.98 0.00 0.00 173.24 175.17 1r8p h GLU 56 N 2.00 0.46 -0.25 4.02 5.08 -1.97 -3.18 114.58 120.73 1r8p h GLU 56 Ca -0.23 -0.26 0.06 0.00 -1.00 0.00 0.00 59.36 57.92 1r8p h GLU 56 Cb 1.22 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 1r8p h GLU 56 CO 0.27 0.85 -0.11 2.35 -1.00 0.00 0.00 179.01 181.36 1r8p h TRP 57 N 0.36 -0.27 -0.85 4.33 -0.00 -2.00 -1.49 115.95 116.04 1r8p h TRP 57 Ca 0.02 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.99 1r8p h TRP 57 Cb 0.99 0.16 -0.05 0.00 -0.00 0.00 0.00 29.16 30.26 1r8p h TRP 57 CO 0.03 -0.18 0.56 0.37 -0.00 0.00 0.00 178.44 179.22 1r8p h GLN 58 N -0.08 0.96 -0.59 2.65 4.15 -1.96 -2.32 115.11 117.92 1r8p h GLN 58 Ca 0.13 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.51 1r8p h GLN 58 Cb 0.28 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 1r8p h GLN 58 CO -0.30 0.63 0.37 -0.09 -1.93 0.00 0.00 178.83 177.51 1r8p h ARG 59 N 0.99 0.73 -0.81 1.69 2.43 -1.29 -2.27 114.38 115.85 1r8p h ARG 59 Ca 0.36 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1r8p h ARG 59 Cb 0.15 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1r8p h ARG 59 CO -0.12 0.48 0.47 0.22 -1.51 0.00 0.00 179.97 179.51 1r8p h ASP 60 N 0.75 0.98 -0.54 -3.80 3.58 -1.07 -2.64 116.42 113.68 1r8p h ASP 60 Ca 0.23 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.54 1r8p h ASP 60 Cb -0.02 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 1r8p h ASP 60 CO -0.08 0.77 0.03 1.56 -2.88 0.00 0.00 179.24 178.63 1r8p h GLN 61 N 1.12 0.94 -0.42 0.28 4.20 -1.26 -2.89 115.11 117.08 1r8p h GLN 61 Ca 0.29 -0.28 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1r8p h GLN 61 Cb -0.02 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 1r8p h GLN 61 CO -0.05 0.94 0.13 0.35 -0.67 0.00 0.00 178.83 179.52 1r8p h PHE 62 N 0.81 0.23 -0.55 2.96 3.04 -1.06 -1.41 116.94 120.96 1r8p h PHE 62 Ca 0.16 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.14 1r8p h PHE 62 Cb 0.50 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.94 1r8p h PHE 62 CO 0.04 0.07 0.35 -0.07 -2.02 0.00 0.00 178.31 176.68 1r8p h LEU 63 N 0.28 0.59 -2.04 0.59 3.38 -1.43 0.27 115.31 116.95 1r8p h LEU 63 Ca 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1r8p h LEU 63 Cb 0.20 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1r8p h LEU 63 CO -0.22 0.42 -0.04 0.77 0.09 0.00 0.00 178.44 179.47 1r8p h SER 64 N 0.71 0.00 0.34 -0.43 4.64 -1.20 -2.68 113.55 114.93 1r8p h SER 64 Ca 0.21 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.36 1r8p h SER 64 Cb -0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 1r8p h SER 64 CO -0.07 0.04 -1.82 0.00 -0.87 0.00 0.00 176.83 174.11 1r8p n GLN 65 N -3.25 0.65 -3.51 4.77 1.13 -0.52 -4.77 117.38 111.89 1r8p n GLN 65 Ca -0.01 0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.67 1r8p n GLN 65 Cb 0.22 -1.65 -0.09 0.00 0.11 0.00 0.00 30.24 28.83 1r8p n GLN 65 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1r8p s VAL 66 N -2.97 4.69 -0.75 5.09 -7.23 0.84 -5.00 120.40 115.06 1r8p s VAL 66 Ca -0.06 -1.24 -0.26 0.00 -1.81 0.00 0.00 61.98 58.61 1r8p s VAL 66 Cb 0.09 -3.83 -0.16 0.00 0.56 0.00 0.00 36.38 33.04 1r8p s VAL 66 CO 0.84 -0.54 2.48 1.17 -0.31 0.00 0.00 175.10 178.74 1r8p n LYS 67 N 5.05 0.52 -3.04 4.82 4.81 -1.26 -4.77 118.16 124.29 1r8p n LYS 67 Ca -0.11 -0.13 -0.41 0.00 -0.87 0.00 0.00 58.31 56.78 1r8p n LYS 67 Cb 0.43 -2.60 -0.06 0.00 0.02 0.00 0.00 35.03 32.83 1r8p n LYS 67 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1r8p s ILE 68 N 10.26 4.88 1.14 3.15 1.10 -1.26 -5.04 121.20 135.43 1r8p s ILE 68 Ca 1.13 1.02 -0.12 0.00 -0.51 0.00 0.00 60.65 62.17 1r8p s ILE 68 Cb -0.59 -4.06 0.27 0.00 0.15 0.00 0.00 42.46 38.24 1r8p s ILE 68 CO 0.34 -0.17 1.04 -2.16 -2.11 0.00 0.00 174.94 171.88 1r8p s PRO 69 N 2.75 -0.74 0.13 3.50 0.04 -1.26 -4.90 135.00 134.52 1r8p s PRO 69 Ca 0.28 0.96 0.27 0.00 0.04 0.00 0.00 61.00 62.55 1r8p s PRO 69 Cb -0.15 -1.57 0.97 0.00 0.04 0.00 0.00 34.50 33.79 1r8p s PRO 69 CO 0.12 -3.64 1.82 1.63 0.04 0.00 0.00 177.00 176.97 1r8p n LYS 70 N -4.87 0.16 0.11 4.56 5.02 -1.26 -3.21 118.16 118.67 1r8p n LYS 70 Ca 0.04 0.14 0.05 0.00 -2.02 0.00 0.00 58.31 56.52 1r8p n LYS 70 Cb 0.54 -1.69 0.01 0.00 -0.02 0.00 0.00 35.03 33.86 1r8p n LYS 70 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1r8p h THR 71 N 0.00 0.49 -3.61 -0.18 2.02 -1.96 -3.43 112.91 106.25 1r8p h THR 71 Ca 0.00 -1.78 -0.64 0.00 0.77 0.00 0.00 66.41 64.75 1r8p h THR 71 Cb 0.63 2.10 -0.15 0.00 -1.74 0.00 0.00 68.15 68.99 1r8p h THR 71 CO 0.00 0.28 -0.05 -0.63 0.37 0.00 0.00 175.52 175.49 1r8p s ILE 72 N -3.05 5.02 0.01 3.11 1.01 -1.20 -4.79 121.20 121.32 1r8p s ILE 72 Ca 0.02 0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.93 1r8p s ILE 72 Cb 0.08 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 1r8p s ILE 72 CO 0.76 -0.19 0.35 -0.89 0.00 0.00 0.00 174.94 174.97 1r8p s THR 73 N 2.38 5.15 0.73 2.92 2.01 -1.25 -4.74 115.64 122.84 1r8p s THR 73 Ca 0.19 0.52 -0.00 0.00 0.31 0.00 0.00 61.69 62.71 1r8p s THR 73 Cb -0.15 -3.63 0.13 0.00 0.01 0.00 0.00 72.50 68.86 1r8p s THR 73 CO 0.13 0.45 1.00 0.54 -0.69 0.00 0.00 174.62 176.05 1r8p s VAL 74 N -1.22 2.09 0.06 3.82 0.11 -1.26 -3.24 120.40 120.76 1r8p s VAL 74 Ca 0.26 -0.61 -0.05 0.00 -2.93 0.00 0.00 61.98 58.65 1r8p s VAL 74 Cb -0.15 -2.48 -0.02 0.00 -1.53 0.00 0.00 36.38 32.21 1r8p s VAL 74 CO 0.14 0.00 0.09 -0.44 -3.33 0.00 0.00 175.10 171.57 1r8p s SER 75 N -4.76 0.26 -0.02 3.54 0.01 -0.85 -4.82 113.70 107.06 1r8p s SER 75 Ca 0.67 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 57.21 1r8p s SER 75 Cb -0.05 0.27 0.01 0.00 0.21 0.00 0.00 66.02 66.45 1r8p s SER 75 CO 0.44 -0.63 -0.07 0.42 0.41 0.00 0.00 173.24 173.82 1r8p s THR 76 N -3.58 0.61 0.35 1.44 -4.23 -1.26 -3.69 115.64 105.28 1r8p s THR 76 Ca 0.03 -0.25 -0.17 0.00 -1.18 0.00 0.00 61.69 60.12 1r8p s THR 76 Cb 0.04 -0.56 0.05 0.00 1.34 0.00 0.00 72.50 73.37 1r8p s THR 76 CO -0.09 0.21 0.80 -0.83 -0.54 0.00 0.00 174.62 174.16 1r8p s GLY 77 N 0.32 0.25 -0.14 3.99 0.00 -1.23 -5.02 107.32 105.49 1r8p s GLY 77 Ca -0.04 -0.62 -0.05 0.00 0.00 0.00 0.00 44.72 44.00 1r8p s GLY 77 CO 0.00 -0.07 0.29 -0.12 0.00 0.00 0.00 173.10 173.21 1r8p s PHE 78 N -2.61 -0.49 0.55 1.90 5.36 -1.26 -3.41 117.98 118.01 1r8p s PHE 78 Ca 0.15 1.08 0.03 0.00 -0.96 0.00 0.00 56.93 57.23 1r8p s PHE 78 Cb -0.05 0.03 0.05 0.00 -0.34 0.00 0.00 43.02 42.71 1r8p s PHE 78 CO 0.10 -0.38 0.76 -1.64 -1.46 0.00 0.00 175.22 172.60 1r8p s MET 79 N 2.41 2.47 -0.27 10.12 -1.94 -1.19 -4.88 119.30 126.02 1r8p s MET 79 Ca 0.00 -1.00 -0.01 0.00 -1.71 0.00 0.00 55.69 52.97 1r8p s MET 79 Cb -0.12 -2.54 0.15 0.00 2.01 0.00 0.00 34.83 34.33 1r8p s MET 79 CO -0.09 -0.73 0.44 -1.54 -0.01 0.00 0.00 175.02 173.09 1r8p s SER 80 N -4.47 -0.16 0.00 3.03 1.04 -1.26 -2.73 113.70 109.14 1r8p s SER 80 Ca 0.58 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1r8p s SER 80 Cb -0.09 1.38 0.00 0.00 0.10 0.00 0.00 66.02 67.41 1r8p s SER 80 CO 0.38 -0.30 0.00 2.30 0.98 0.00 0.00 173.24 176.60