#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd8 n GLY 2 N 0.00 0.88 3.77 2.92 0.00 0.14 -5.02 105.19 107.89 1pd8 n GLY 2 Ca 0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1pd8 n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pd8 s SER 3 N -1.00 6.39 -0.28 1.61 0.01 -1.26 -4.78 113.70 114.39 1pd8 s SER 3 Ca 0.00 2.99 -0.10 0.00 1.31 0.00 0.00 55.95 60.14 1pd8 s SER 3 Cb 0.00 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1pd8 s SER 3 CO 0.00 -0.86 0.16 -0.22 0.41 0.00 0.00 173.24 172.73 1pd8 s LEU 4 N -1.52 3.92 0.04 2.44 2.96 -1.26 -0.43 118.68 124.84 1pd8 s LEU 4 Ca 0.56 -0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 54.34 1pd8 s LEU 4 Cb -0.46 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 1pd8 s LEU 4 CO 0.57 -0.07 -0.03 0.20 -1.32 0.00 0.00 176.35 175.70 1pd8 s ASN 5 N 1.71 0.39 -0.03 3.68 0.01 0.17 -3.07 114.94 117.81 1pd8 s ASN 5 Ca 0.07 -0.75 0.08 0.00 -0.71 0.00 0.00 52.86 51.54 1pd8 s ASN 5 Cb -0.16 0.15 -0.02 0.00 0.41 0.00 0.00 41.25 41.63 1pd8 s ASN 5 CO 0.09 -0.44 -0.25 0.00 -1.51 0.00 0.00 177.10 174.98 1pd8 s ILE 7 N -0.53 0.71 -0.05 0.00 2.07 -0.92 -0.90 121.20 121.58 1pd8 s ILE 7 Ca 0.08 -0.29 -0.24 0.00 -1.41 0.00 0.00 60.65 58.79 1pd8 s ILE 7 Cb -0.10 -0.66 0.05 0.00 0.13 0.00 0.00 42.46 41.87 1pd8 s ILE 7 CO -0.00 0.24 0.53 0.54 -1.91 0.00 0.00 174.94 174.34 1pd8 s VAL 8 N 0.44 0.02 -0.13 4.00 0.11 -0.93 -4.53 120.40 119.38 1pd8 s VAL 8 Ca -0.07 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 58.79 1pd8 s VAL 8 Cb -0.11 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 1pd8 s VAL 8 CO 0.01 -0.10 -0.10 0.00 -3.33 0.00 0.00 175.10 171.57 1pd8 s ALA 9 N -1.14 2.75 0.02 1.54 0.00 -1.26 -1.12 121.76 122.55 1pd8 s ALA 9 Ca -0.11 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.00 1pd8 s ALA 9 Cb -0.02 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 1pd8 s ALA 9 CO 0.07 0.28 -0.08 0.14 0.00 0.00 0.00 175.76 176.17 1pd8 s VAL 10 N 0.21 0.64 0.77 0.00 -7.23 -0.32 -4.72 120.40 109.75 1pd8 s VAL 10 Ca -0.06 -0.67 -0.08 0.00 -1.81 0.00 0.00 61.98 59.36 1pd8 s VAL 10 Cb -0.15 -0.60 0.10 0.00 0.56 0.00 0.00 36.38 36.29 1pd8 s VAL 10 CO 0.04 -0.05 1.09 -0.94 -0.31 0.00 0.00 175.10 174.94 1pd8 s SER 11 N -0.79 4.40 0.49 4.85 1.04 -1.07 -0.24 113.70 122.39 1pd8 s SER 11 Ca -0.02 0.36 0.21 0.00 0.48 0.00 0.00 55.95 56.98 1pd8 s SER 11 Cb -0.06 -0.84 1.27 0.00 0.10 0.00 0.00 66.02 66.49 1pd8 s SER 11 CO 0.00 -1.88 2.06 1.56 0.98 0.00 0.00 173.24 175.96 1pd8 h GLN 12 N -0.84 0.00 -0.43 4.02 4.20 -0.29 0.34 115.11 122.11 1pd8 h GLN 12 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1pd8 h GLN 12 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1pd8 h GLN 12 CO 0.54 0.13 0.00 0.27 -0.67 0.00 0.00 178.83 179.10 1pd8 n ASN 13 N -4.07 1.86 -0.04 1.46 6.94 -1.26 -4.91 115.26 115.24 1pd8 n ASN 13 Ca -0.02 -2.09 -0.01 0.00 -0.02 0.00 0.00 54.58 52.44 1pd8 n ASN 13 Cb 0.21 -0.29 -0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1pd8 n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1pd8 n MET 14 N 0.32 -0.80 -2.22 -3.83 2.81 0.11 -4.98 117.12 108.52 1pd8 n MET 14 Ca 0.10 0.24 -0.41 0.00 -1.81 0.00 0.00 57.70 55.81 1pd8 n MET 14 Cb 0.34 -3.87 -0.03 0.00 -0.71 0.00 0.00 33.22 28.95 1pd8 n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1pd8 s GLY 15 N -2.05 2.39 -0.00 3.03 0.00 -1.26 -1.60 107.32 107.82 1pd8 s GLY 15 Ca 0.00 1.09 0.05 0.00 0.00 0.00 0.00 44.72 45.86 1pd8 s GLY 15 CO 0.00 2.10 0.18 0.29 0.00 0.00 0.00 173.10 175.68 1pd8 n ILE 16 N 2.89 0.00 -3.71 0.90 -5.35 0.43 -2.58 119.36 111.94 1pd8 n ILE 16 Ca 0.07 -0.35 -0.05 0.00 -0.27 0.00 0.00 62.75 62.15 1pd8 n ILE 16 Cb 0.43 0.91 -0.02 0.00 -1.74 0.00 0.00 39.64 39.22 1pd8 n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pd8 s GLY 17 N -1.60 -0.27 -0.17 3.28 0.00 -0.98 -4.60 107.32 102.97 1pd8 s GLY 17 Ca 0.01 0.24 -0.04 0.00 0.00 0.00 0.00 44.72 44.93 1pd8 s GLY 17 CO 0.19 0.06 0.28 1.25 0.00 0.00 0.00 173.10 174.88 1pd8 s LYS 18 N -3.37 0.21 -1.46 2.90 2.20 0.16 -0.20 119.74 120.17 1pd8 s LYS 18 Ca 0.10 0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 56.28 1pd8 s LYS 18 Cb -0.02 -0.38 0.03 0.00 -1.51 0.00 0.00 37.83 35.94 1pd8 s LYS 18 CO 0.00 -0.44 0.45 0.09 -0.36 0.00 0.00 175.35 175.09 1pd8 n ASN 19 N 5.35 -0.72 -0.18 1.43 3.02 -1.26 0.93 115.26 123.83 1pd8 n ASN 19 Ca -0.06 -1.03 -0.02 0.00 -0.03 0.00 0.00 54.58 53.44 1pd8 n ASN 19 Cb 0.50 -2.91 -0.01 0.00 -0.61 0.00 0.00 39.78 36.75 1pd8 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pd8 n GLY 20 N -1.94 0.41 3.78 7.41 0.00 -1.26 -4.98 105.19 108.61 1pd8 n GLY 20 Ca -0.25 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 1pd8 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pd8 s ASP 21 N -2.16 4.21 0.09 1.61 2.15 0.26 -4.66 116.67 118.18 1pd8 s ASP 21 Ca 0.00 -1.59 -0.30 0.00 0.43 0.00 0.00 52.55 51.10 1pd8 s ASP 21 Cb 0.00 0.50 -0.05 0.00 -0.30 0.00 0.00 42.92 43.06 1pd8 s ASP 21 CO 0.00 -0.89 0.95 -0.76 -0.17 0.00 0.00 175.17 174.30 1pd8 s LEU 22 N -3.94 4.48 0.10 -1.34 1.43 -1.26 0.36 118.68 118.51 1pd8 s LEU 22 Ca 0.10 1.75 0.14 0.00 -1.03 0.00 0.00 54.13 55.10 1pd8 s LEU 22 Cb 0.01 -3.56 0.64 0.00 0.03 0.00 0.00 46.19 43.31 1pd8 s LEU 22 CO 0.06 -0.08 1.45 -2.65 0.23 0.00 0.00 176.35 175.35 1pd8 n PRO 23 N 2.92 0.06 -4.49 1.29 -0.02 -1.26 -4.69 135.00 128.81 1pd8 n PRO 23 Ca 0.02 0.39 -0.26 0.00 -2.02 0.00 0.00 63.50 61.64 1pd8 n PRO 23 Cb 0.49 -1.64 -0.10 0.00 -0.02 0.00 0.00 33.50 32.23 1pd8 n PRO 23 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1pd8 s TRP 24 N -3.14 2.44 0.76 6.00 -2.14 -1.26 -4.68 118.94 116.91 1pd8 s TRP 24 Ca 0.04 -0.48 -0.13 0.00 2.66 0.00 0.00 56.10 58.18 1pd8 s TRP 24 Cb 0.07 -1.40 0.06 0.00 -3.10 0.00 0.00 33.47 29.10 1pd8 s TRP 24 CO 0.23 0.56 1.16 -1.25 -2.66 0.00 0.00 176.95 174.99 1pd8 s PRO 25 N -3.63 2.06 0.42 3.25 0.04 -1.26 -4.88 135.00 130.99 1pd8 s PRO 25 Ca 0.33 1.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 1pd8 s PRO 25 Cb 0.02 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 1pd8 s PRO 25 CO 0.17 -1.85 1.41 -2.14 0.04 0.00 0.00 177.00 174.63 1pd8 s PRO 26 N -4.24 3.87 -0.48 0.56 0.02 -1.26 -4.98 135.00 128.48 1pd8 s PRO 26 Ca 0.69 2.39 0.04 0.00 0.02 0.00 0.00 61.00 64.14 1pd8 s PRO 26 Cb -0.24 -2.77 0.13 0.00 0.02 0.00 0.00 34.50 31.64 1pd8 s PRO 26 CO 0.49 -0.66 0.23 -0.51 -0.33 0.00 0.00 177.00 176.21 1pd8 s LEU 27 N -2.48 4.01 0.31 -5.54 1.43 -1.26 -5.00 118.68 110.15 1pd8 s LEU 27 Ca 0.58 -2.81 0.07 0.00 -1.03 0.00 0.00 54.13 50.94 1pd8 s LEU 27 Cb -0.43 -1.51 0.89 0.00 0.03 0.00 0.00 46.19 45.17 1pd8 s LEU 27 CO 0.56 -0.26 1.49 0.54 0.23 0.00 0.00 176.35 178.91 1pd8 n ARG 28 N 3.36 -0.07 0.11 1.70 3.00 -1.26 -0.89 116.66 122.61 1pd8 n ARG 28 Ca 0.05 1.39 -0.02 0.00 -0.01 0.00 0.00 57.85 59.26 1pd8 n ARG 28 Cb 0.34 -2.29 0.04 0.00 0.00 0.00 0.00 32.46 30.55 1pd8 n ARG 28 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1pd8 h ASN 29 N 0.00 0.00 -0.26 0.55 2.35 -1.98 -2.16 115.58 114.08 1pd8 h ASN 29 Ca 0.64 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 56.22 1pd8 h ASN 29 Cb 1.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.84 1pd8 h ASN 29 CO -0.85 0.73 -0.52 -0.08 -1.65 0.00 0.00 177.43 175.06 1pd8 h GLU 30 N 0.00 0.81 -0.08 0.81 4.22 -1.45 -2.41 114.58 116.48 1pd8 h GLU 30 Ca -0.01 -0.53 -0.08 0.00 0.08 0.00 0.00 59.36 58.82 1pd8 h GLU 30 Cb 1.42 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 1pd8 h GLU 30 CO 0.09 1.16 -0.33 0.74 -2.18 0.00 0.00 179.01 178.49 1pd8 h PHE 31 N 0.57 0.17 -0.24 0.92 0.05 -1.42 -1.80 116.94 115.19 1pd8 h PHE 31 Ca 0.01 -0.04 -0.03 0.00 3.82 0.00 0.00 57.97 61.73 1pd8 h PHE 31 Cb 1.14 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 39.03 1pd8 h PHE 31 CO 0.08 0.47 0.03 -0.09 -0.18 0.00 0.00 178.31 178.62 1pd8 h ARG 32 N 0.14 0.41 -0.36 1.51 2.43 -1.30 -0.63 114.38 116.57 1pd8 h ARG 32 Ca 0.02 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1pd8 h ARG 32 Cb 0.66 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1pd8 h ARG 32 CO 0.05 0.55 0.18 -0.92 -1.51 0.00 0.00 179.97 178.32 1pd8 h TYR 33 N 0.20 0.51 -0.39 2.20 5.03 -1.31 -0.87 116.97 122.33 1pd8 h TYR 33 Ca 0.07 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 1pd8 h TYR 33 Cb 0.35 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.46 1pd8 h TYR 33 CO 0.03 0.42 0.17 0.35 -1.32 0.00 0.00 178.16 177.81 1pd8 h PHE 34 N 0.44 0.58 -0.20 -3.82 3.57 -1.23 -1.18 116.94 115.11 1pd8 h PHE 34 Ca 0.12 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1pd8 h PHE 34 Cb 0.10 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1pd8 h PHE 34 CO -0.02 0.51 0.12 1.96 -2.23 0.00 0.00 178.31 178.65 1pd8 h GLN 35 N 0.49 0.27 -0.22 1.11 1.08 -1.01 -2.31 115.11 114.52 1pd8 h GLN 35 Ca 0.13 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1pd8 h GLN 35 Cb 0.16 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1pd8 h GLN 35 CO -0.01 0.21 0.10 -0.09 -0.95 0.00 0.00 178.83 178.09 1pd8 h ARG 36 N 0.24 0.31 -0.53 1.46 2.43 -1.04 -0.84 114.38 116.42 1pd8 h ARG 36 Ca 0.07 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1pd8 h ARG 36 Cb 0.01 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1pd8 h ARG 36 CO -0.01 0.33 0.28 0.52 -1.51 0.00 0.00 179.97 179.57 1pd8 h MET 37 N 0.22 0.75 0.00 0.20 2.86 -1.21 -2.51 114.93 115.24 1pd8 h MET 37 Ca 0.07 -0.10 -0.20 0.00 -2.06 0.00 0.00 59.70 57.42 1pd8 h MET 37 Cb 0.12 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1pd8 h MET 37 CO -0.01 0.60 -0.95 1.79 1.06 0.00 0.00 176.91 179.40 1pd8 h THR 38 N 0.71 1.58 0.07 2.22 1.35 -1.39 -3.37 112.91 114.09 1pd8 h THR 38 Ca 0.18 -3.25 -0.28 0.00 -0.55 0.00 0.00 66.41 62.52 1pd8 h THR 38 Cb 0.08 2.78 -0.02 0.00 -1.73 0.00 0.00 68.15 69.26 1pd8 h THR 38 CO -0.03 0.90 -1.41 0.74 -0.25 0.00 0.00 175.52 175.47 1pd8 h THR 39 N 0.00 1.26 -2.43 6.82 2.02 -1.10 -3.43 112.91 116.05 1pd8 h THR 39 Ca -0.02 -2.95 -0.56 0.00 0.77 0.00 0.00 66.41 63.66 1pd8 h THR 39 Cb 1.72 2.74 -0.00 0.00 -1.74 0.00 0.00 68.15 70.87 1pd8 h THR 39 CO 0.12 0.81 1.25 -0.89 0.37 0.00 0.00 175.52 177.18 1pd8 s THR 40 N -2.64 3.30 -0.19 3.16 2.01 -0.95 -4.63 115.64 115.70 1pd8 s THR 40 Ca -0.06 0.34 -0.08 0.00 0.31 0.00 0.00 61.69 62.20 1pd8 s THR 40 Cb 0.08 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1pd8 s THR 40 CO 0.84 -0.10 0.08 -0.55 -0.69 0.00 0.00 174.62 174.20 1pd8 s SER 41 N 5.19 5.76 -0.07 3.53 0.15 -1.26 -4.94 113.70 122.07 1pd8 s SER 41 Ca 0.84 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1pd8 s SER 41 Cb -0.33 -1.99 0.09 0.00 -1.71 0.00 0.00 66.02 62.07 1pd8 s SER 41 CO 0.35 0.17 1.28 -1.54 1.20 0.00 0.00 173.24 174.70 1pd8 n SER 42 N 3.56 3.54 -3.45 5.45 3.41 -1.26 -4.67 113.62 120.21 1pd8 n SER 42 Ca -0.16 -2.30 0.01 0.00 -0.26 0.00 0.00 58.87 56.16 1pd8 n SER 42 Cb 0.52 -0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 63.78 1pd8 n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pd8 s VAL 43 N -0.52 -0.47 0.26 -3.33 1.01 -1.26 -5.14 120.40 110.94 1pd8 s VAL 43 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1pd8 s VAL 43 Cb 0.07 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.35 1pd8 s VAL 43 CO 0.01 0.00 1.41 -1.61 0.00 0.00 0.00 175.10 174.91 1pd8 s GLU 44 N 2.34 4.29 0.00 2.72 2.02 -1.26 -3.05 118.70 125.76 1pd8 s GLU 44 Ca -0.04 2.27 0.00 0.00 0.02 0.00 0.00 54.97 57.22 1pd8 s GLU 44 Cb -0.06 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1pd8 s GLU 44 CO -0.17 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.15 1pd8 n GLY 45 N 1.97 0.55 3.42 -1.39 0.00 -1.26 -5.03 105.19 103.45 1pd8 n GLY 45 Ca 0.06 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1pd8 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pd8 s LYS 46 N -0.13 1.50 0.18 1.61 1.02 -1.17 -4.80 119.74 117.94 1pd8 s LYS 46 Ca 0.00 -1.49 0.09 0.00 0.02 0.00 0.00 55.97 54.59 1pd8 s LYS 46 Cb 0.00 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1pd8 s LYS 46 CO 0.00 0.41 -0.19 -0.65 -0.92 0.00 0.00 175.35 174.00 1pd8 s GLN 47 N -2.55 1.34 0.23 1.68 -0.21 -0.12 -4.81 119.66 115.23 1pd8 s GLN 47 Ca 0.19 -1.45 -0.13 0.00 0.02 0.00 0.00 55.36 53.99 1pd8 s GLN 47 Cb -0.08 -1.44 -0.08 0.00 1.00 0.00 0.00 33.01 32.40 1pd8 s GLN 47 CO 0.09 0.30 0.62 -0.80 -2.12 0.00 0.00 175.29 173.37 1pd8 s ASN 48 N -2.71 6.76 -0.19 5.90 0.01 -1.26 -0.42 114.94 123.03 1pd8 s ASN 48 Ca 0.17 1.11 -0.10 0.00 -0.71 0.00 0.00 52.86 53.34 1pd8 s ASN 48 Cb -0.06 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.25 1pd8 s ASN 48 CO 0.08 -0.05 0.13 -0.22 -1.51 0.00 0.00 177.10 175.53 1pd8 s LEU 49 N -2.54 4.22 -0.20 0.60 2.96 -0.67 -0.31 118.68 122.74 1pd8 s LEU 49 Ca 0.46 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 54.58 1pd8 s LEU 49 Cb -0.13 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 1pd8 s LEU 49 CO 0.20 0.19 -0.04 0.68 -1.32 0.00 0.00 176.35 176.06 1pd8 s VAL 50 N 0.28 3.47 -0.17 1.68 -7.23 0.99 -1.48 120.40 117.93 1pd8 s VAL 50 Ca 0.08 -0.47 -0.06 0.00 -1.81 0.00 0.00 61.98 59.72 1pd8 s VAL 50 Cb -0.11 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1pd8 s VAL 50 CO -0.02 0.44 0.03 -0.63 -0.31 0.00 0.00 175.10 174.61 1pd8 s ILE 51 N 1.22 4.47 0.09 -0.62 1.01 -0.40 -0.54 121.20 126.43 1pd8 s ILE 51 Ca 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 1pd8 s ILE 51 Cb -0.14 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 1pd8 s ILE 51 CO -0.01 0.47 0.12 0.00 0.00 0.00 0.00 174.94 175.53 1pd8 s MET 52 N 0.35 0.82 0.93 2.79 0.23 -0.69 -1.11 119.30 122.62 1pd8 s MET 52 Ca 0.00 -1.11 -0.13 0.00 -1.03 0.00 0.00 55.69 53.42 1pd8 s MET 52 Cb -0.13 0.30 0.20 0.00 -1.53 0.00 0.00 34.83 33.66 1pd8 s MET 52 CO 0.01 -0.24 1.28 0.20 -2.03 0.00 0.00 175.02 174.24 1pd8 s GLY 53 N -2.91 1.79 0.14 3.16 0.00 -0.51 -1.07 107.32 107.92 1pd8 s GLY 53 Ca 0.09 -1.34 -0.14 0.00 0.00 0.00 0.00 44.72 43.33 1pd8 s GLY 53 CO -0.08 -0.59 1.63 1.70 0.00 0.00 0.00 173.10 175.77 1pd8 h LYS 54 N -1.48 0.77 -0.48 2.90 3.64 -1.89 -2.02 116.57 118.00 1pd8 h LYS 54 Ca -0.43 -0.20 -0.11 0.00 -1.27 0.00 0.00 60.65 58.64 1pd8 h LYS 54 Cb 1.23 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1pd8 h LYS 54 CO 0.36 0.77 -0.15 -0.22 -2.27 0.00 0.00 179.45 177.95 1pd8 h LYS 55 N 0.64 0.92 -0.06 1.90 3.11 -1.94 -2.14 116.57 119.01 1pd8 h LYS 55 Ca 0.14 -0.35 -0.01 0.00 -2.81 0.00 0.00 60.65 57.63 1pd8 h LYS 55 Cb 0.37 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1pd8 h LYS 55 CO 0.01 1.01 0.01 1.15 -2.81 0.00 0.00 179.45 178.81 1pd8 h THR 56 N 0.82 1.20 -0.41 1.00 2.02 -1.87 -1.16 112.91 114.51 1pd8 h THR 56 Ca 0.12 -0.60 0.08 0.00 0.77 0.00 0.00 66.41 66.78 1pd8 h THR 56 Cb 0.69 1.49 -0.07 0.00 -1.74 0.00 0.00 68.15 68.52 1pd8 h THR 56 CO 0.05 0.17 -0.04 -0.25 0.37 0.00 0.00 175.52 175.82 1pd8 h TRP 57 N -0.13 -0.10 0.00 3.16 2.91 -1.28 -0.48 115.95 120.03 1pd8 h TRP 57 Ca 0.02 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1pd8 h TRP 57 Cb 0.25 0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.01 1pd8 h TRP 57 CO 0.01 -0.12 0.00 1.19 -1.03 0.00 0.00 178.44 178.49 1pd8 n PHE 58 N -5.24 0.35 0.43 2.65 3.01 -0.81 -2.36 117.46 115.48 1pd8 n PHE 58 Ca 0.03 0.13 0.12 0.00 1.01 0.00 0.00 57.45 58.74 1pd8 n PHE 58 Cb 0.22 -0.71 0.23 0.00 -0.01 0.00 0.00 39.48 39.21 1pd8 n PHE 58 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1pd8 h SER 59 N 0.00 0.00 -3.32 4.37 4.64 0.21 -3.45 113.55 116.00 1pd8 h SER 59 Ca 0.00 -0.04 -0.56 0.00 -0.47 0.00 0.00 61.79 60.71 1pd8 h SER 59 Cb 0.33 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 1pd8 h SER 59 CO 0.00 0.02 0.02 -0.63 -0.87 0.00 0.00 176.83 175.38 1pd8 s ILE 60 N -3.18 4.68 0.51 0.95 1.01 -0.99 -4.97 121.20 119.21 1pd8 s ILE 60 Ca 0.07 1.35 -0.21 0.00 0.00 0.00 0.00 60.65 61.85 1pd8 s ILE 60 Cb 0.10 -3.97 -0.08 0.00 0.01 0.00 0.00 42.46 38.52 1pd8 s ILE 60 CO 0.67 0.52 0.94 -2.65 0.00 0.00 0.00 174.94 174.42 1pd8 n PRO 61 N 1.89 1.09 -0.21 2.79 -0.02 -1.26 -4.82 135.00 134.46 1pd8 n PRO 61 Ca -0.08 0.40 -0.01 0.00 -2.02 0.00 0.00 63.50 61.79 1pd8 n PRO 61 Cb 0.50 -2.06 0.10 0.00 -0.02 0.00 0.00 33.50 32.03 1pd8 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1pd8 h GLU 62 N 1.00 0.51 -0.25 -0.52 4.81 -1.94 -1.26 114.58 116.93 1pd8 h GLU 62 Ca -0.46 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.80 1pd8 h GLU 62 Cb 1.35 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1pd8 h GLU 62 CO 0.53 0.34 0.18 1.57 -0.73 0.00 0.00 179.01 180.90 1pd8 h LYS 63 N 0.53 0.04 -0.52 1.92 5.09 -2.01 0.45 116.57 122.06 1pd8 h LYS 63 Ca 0.30 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.04 1pd8 h LYS 63 Cb 0.29 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.61 1pd8 h LYS 63 CO -0.24 0.03 0.00 0.09 -2.09 0.00 0.00 179.45 177.23 1pd8 n ASN 64 N -4.47 2.80 -4.37 7.07 3.02 -0.49 -4.88 115.26 113.94 1pd8 n ASN 64 Ca 0.03 -2.05 -0.33 0.00 -0.03 0.00 0.00 54.58 52.19 1pd8 n ASN 64 Cb 0.31 -0.36 -0.14 0.00 -0.61 0.00 0.00 39.78 38.98 1pd8 n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1pd8 s ARG 65 N -1.41 3.41 0.68 3.52 0.52 0.15 -3.68 118.95 122.14 1pd8 s ARG 65 Ca 0.34 -0.66 -0.11 0.00 -0.52 0.00 0.00 55.73 54.78 1pd8 s ARG 65 Cb 0.18 -2.73 -0.00 0.00 0.52 0.00 0.00 34.95 32.92 1pd8 s ARG 65 CO 0.22 0.13 1.06 -1.25 0.02 0.00 0.00 175.30 175.48 1pd8 s PRO 66 N 0.57 3.06 0.00 3.54 0.04 -1.26 -4.95 135.00 136.00 1pd8 s PRO 66 Ca -0.07 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 61.37 1pd8 s PRO 66 Cb -0.15 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 1pd8 s PRO 66 CO 0.03 -0.95 1.87 -0.51 0.04 0.00 0.00 177.00 177.48 1pd8 s LEU 67 N -5.39 4.38 0.40 -3.56 1.43 -1.24 -4.91 118.68 109.79 1pd8 s LEU 67 Ca 0.57 2.51 -0.26 0.00 -1.03 0.00 0.00 54.13 55.93 1pd8 s LEU 67 Cb -0.12 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 1pd8 s LEU 67 CO 0.54 -1.03 1.21 -0.54 0.23 0.00 0.00 176.35 176.75 1pd8 s LYS 68 N 4.37 4.05 0.00 1.70 3.01 -1.26 -3.49 119.74 128.11 1pd8 s LYS 68 Ca 0.84 1.93 0.00 0.00 -1.01 0.00 0.00 55.97 57.73 1pd8 s LYS 68 Cb -0.39 -2.72 0.00 0.00 -1.01 0.00 0.00 37.83 33.71 1pd8 s LYS 68 CO 0.38 -0.35 0.00 0.41 0.51 0.00 0.00 175.35 176.30 1pd8 n GLY 69 N 0.67 0.87 3.28 -3.33 0.00 -1.26 -4.96 105.19 100.46 1pd8 n GLY 69 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1pd8 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pd8 s ARG 70 N -0.17 1.14 -0.16 1.61 0.52 -1.23 -4.49 118.95 116.17 1pd8 s ARG 70 Ca 0.00 -1.35 -0.24 0.00 -0.52 0.00 0.00 55.73 53.62 1pd8 s ARG 70 Cb 0.00 -1.04 -0.02 0.00 0.52 0.00 0.00 34.95 34.41 1pd8 s ARG 70 CO 0.00 0.20 0.76 0.42 0.02 0.00 0.00 175.30 176.70 1pd8 s ILE 71 N -2.30 4.94 -0.21 1.52 1.01 0.57 -4.86 121.20 121.87 1pd8 s ILE 71 Ca 0.13 1.49 -0.10 0.00 0.00 0.00 0.00 60.65 62.17 1pd8 s ILE 71 Cb -0.04 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 1pd8 s ILE 71 CO 0.04 0.08 0.15 0.20 0.00 0.00 0.00 174.94 175.41 1pd8 s ASN 72 N 1.12 6.20 -0.06 3.58 0.02 -1.26 -0.01 114.94 124.53 1pd8 s ASN 72 Ca 0.36 0.21 0.03 0.00 -1.02 0.00 0.00 52.86 52.44 1pd8 s ASN 72 Cb -0.17 -2.10 0.00 0.00 0.02 0.00 0.00 41.25 39.01 1pd8 s ASN 72 CO 0.13 0.15 -0.15 -0.22 0.02 0.00 0.00 177.10 177.02 1pd8 s LEU 73 N 0.55 1.80 -0.11 0.60 0.20 0.30 -2.42 118.68 119.60 1pd8 s LEU 73 Ca 0.08 -0.34 -0.03 0.00 0.69 0.00 0.00 54.13 54.53 1pd8 s LEU 73 Cb -0.12 -0.92 -0.03 0.00 -0.43 0.00 0.00 46.19 44.69 1pd8 s LEU 73 CO -0.00 0.09 0.02 -0.69 -0.29 0.00 0.00 176.35 175.49 1pd8 s VAL 74 N 0.36 4.49 -0.29 1.68 1.01 -0.61 -1.70 120.40 125.33 1pd8 s VAL 74 Ca -0.10 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1pd8 s VAL 74 Cb -0.14 -2.92 -0.00 0.00 0.00 0.00 0.00 36.38 33.32 1pd8 s VAL 74 CO 0.03 0.58 0.10 -0.76 0.00 0.00 0.00 175.10 175.05 1pd8 s LEU 75 N -0.65 3.84 -0.02 3.92 1.43 -0.23 -0.75 118.68 126.22 1pd8 s LEU 75 Ca 0.11 -0.56 -0.21 0.00 -1.03 0.00 0.00 54.13 52.44 1pd8 s LEU 75 Cb -0.12 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.22 1pd8 s LEU 75 CO 0.02 -0.16 0.45 -0.55 0.23 0.00 0.00 176.35 176.34 1pd8 s SER 76 N 1.55 -0.37 -0.05 2.29 0.15 -0.83 -2.93 113.70 113.50 1pd8 s SER 76 Ca 0.04 0.30 0.14 0.00 0.70 0.00 0.00 55.95 57.13 1pd8 s SER 76 Cb -0.17 0.41 -0.21 0.00 -1.71 0.00 0.00 66.02 64.34 1pd8 s SER 76 CO 0.04 -0.53 0.25 0.54 1.20 0.00 0.00 173.24 174.74 1pd8 n ARG 77 N 1.05 0.79 0.01 5.44 1.74 -1.26 -4.07 116.66 120.36 1pd8 n ARG 77 Ca -0.20 -0.10 -0.02 0.00 -0.77 0.00 0.00 57.85 56.76 1pd8 n ARG 77 Cb 0.57 -1.35 -0.10 0.00 -1.02 0.00 0.00 32.46 30.56 1pd8 n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pd8 n GLU 78 N -2.14 0.63 -2.40 5.56 1.02 -1.26 -4.94 120.64 117.12 1pd8 n GLU 78 Ca -0.08 0.21 -0.41 0.00 -0.02 0.00 0.00 57.16 56.86 1pd8 n GLU 78 Cb 0.53 -1.78 -0.04 0.00 -0.02 0.00 0.00 31.44 30.14 1pd8 n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pd8 s LEU 79 N -5.78 4.49 -0.05 -4.62 1.43 -1.26 -4.97 118.68 107.92 1pd8 s LEU 79 Ca -0.04 2.28 0.16 0.00 -1.03 0.00 0.00 54.13 55.50 1pd8 s LEU 79 Cb 0.09 -3.62 -0.21 0.00 0.03 0.00 0.00 46.19 42.47 1pd8 s LEU 79 CO 0.82 -0.29 0.56 0.29 0.23 0.00 0.00 176.35 177.96 1pd8 n LYS 80 N 1.84 0.64 -4.10 1.70 4.76 -1.26 -4.95 118.16 116.79 1pd8 n LYS 80 Ca 0.02 0.18 -0.07 0.00 -2.87 0.00 0.00 58.31 55.57 1pd8 n LYS 80 Cb 0.44 -1.72 -0.10 0.00 -1.84 0.00 0.00 35.03 31.81 1pd8 n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1pd8 s GLU 81 N -2.71 0.66 0.55 1.97 -1.05 -1.26 -5.11 118.70 111.75 1pd8 s GLU 81 Ca -0.06 -1.25 -0.21 0.00 -0.15 0.00 0.00 54.97 53.31 1pd8 s GLU 81 Cb 0.08 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 33.93 1pd8 s GLU 81 CO 0.83 -0.13 1.19 -2.30 0.95 0.00 0.00 175.26 175.80 1pd8 n PRO 82 N 0.08 1.37 -0.61 -4.83 -0.02 -1.26 -4.95 135.00 124.77 1pd8 n PRO 82 Ca -0.13 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.56 1pd8 n PRO 82 Cb 0.61 -2.38 0.20 0.00 -0.02 0.00 0.00 33.50 31.91 1pd8 n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1pd8 n PRO 83 N -0.93 -1.41 -1.99 0.52 -0.02 -1.26 -4.83 135.00 125.08 1pd8 n PRO 83 Ca 0.12 -0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 60.82 1pd8 n PRO 83 Cb 0.45 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 1pd8 n PRO 83 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1pd8 s GLN 84 N -4.23 4.26 0.00 -0.52 0.74 -1.26 -2.17 119.66 116.47 1pd8 s GLN 84 Ca 0.65 2.35 0.00 0.00 0.05 0.00 0.00 55.36 58.41 1pd8 s GLN 84 Cb -0.22 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.83 1pd8 s GLN 84 CO 0.63 -0.37 0.00 0.41 -0.55 0.00 0.00 175.29 175.41 1pd8 n GLY 85 N 1.26 2.95 3.82 2.59 0.00 -1.26 -4.95 105.19 109.60 1pd8 n GLY 85 Ca 0.03 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1pd8 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pd8 s ALA 86 N -2.62 2.67 -0.10 4.61 0.00 -0.92 -4.32 121.76 121.08 1pd8 s ALA 86 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.13 1pd8 s ALA 86 Cb 0.00 -3.17 -0.13 0.00 0.00 0.00 0.00 23.12 19.82 1pd8 s ALA 86 CO 0.00 -1.23 0.03 0.72 0.00 0.00 0.00 175.76 175.28 1pd8 n HIS 87 N -3.14 0.00 -3.79 0.00 -0.00 -1.08 -4.85 115.22 102.35 1pd8 n HIS 87 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.68 1pd8 n HIS 87 Cb 0.54 -0.51 -0.08 0.00 -0.00 0.00 0.00 29.99 29.93 1pd8 n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1pd8 s PHE 88 N -2.25 -0.04 -0.03 4.41 0.08 -1.02 -5.00 117.98 114.13 1pd8 s PHE 88 Ca -0.06 -0.11 0.02 0.00 0.12 0.00 0.00 56.93 56.90 1pd8 s PHE 88 Cb 0.03 0.04 0.01 0.00 -0.57 0.00 0.00 43.02 42.53 1pd8 s PHE 88 CO 0.42 -0.47 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.83 1pd8 s LEU 89 N -2.03 1.72 0.12 -0.37 2.96 -1.26 -1.58 118.68 118.24 1pd8 s LEU 89 Ca -0.06 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 53.73 1pd8 s LEU 89 Cb -0.01 -0.52 -0.04 0.00 0.50 0.00 0.00 46.19 46.12 1pd8 s LEU 89 CO -0.03 0.04 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.48 1pd8 s SER 90 N 0.32 1.74 0.03 3.68 0.01 0.07 -4.94 113.70 114.60 1pd8 s SER 90 Ca -0.05 -0.84 0.02 0.00 1.31 0.00 0.00 55.95 56.39 1pd8 s SER 90 Cb -0.09 -0.03 -0.25 0.00 0.21 0.00 0.00 66.02 65.85 1pd8 s SER 90 CO 0.00 -0.22 0.94 0.03 0.41 0.00 0.00 173.24 174.40 1pd8 h ARG 91 N 3.42 0.15 -4.47 12.44 3.08 -1.87 -2.22 114.38 124.91 1pd8 h ARG 91 Ca -0.38 -0.26 -0.30 0.00 0.07 0.00 0.00 59.98 59.10 1pd8 h ARG 91 Cb 1.19 0.10 -0.12 0.00 0.08 0.00 0.00 29.97 31.22 1pd8 h ARG 91 CO 0.54 1.00 -0.42 -1.54 -1.07 0.00 0.00 179.97 178.48 1pd8 s SER 92 N -6.79 0.80 0.19 7.04 1.04 -1.26 -4.44 113.70 110.28 1pd8 s SER 92 Ca -0.06 -1.48 -0.08 0.00 0.48 0.00 0.00 55.95 54.81 1pd8 s SER 92 Cb 0.08 0.53 0.11 0.00 0.10 0.00 0.00 66.02 66.83 1pd8 s SER 92 CO 0.84 -1.06 1.67 0.25 0.98 0.00 0.00 173.24 175.93 1pd8 h LEU 93 N 2.30 1.04 -0.91 2.42 5.85 -1.99 -0.58 115.31 123.44 1pd8 h LEU 93 Ca -0.29 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.05 1pd8 h LEU 93 Cb 1.24 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1pd8 h LEU 93 CO 0.42 1.07 -0.33 0.44 -0.34 0.00 0.00 178.44 179.70 1pd8 h ASP 94 N 0.99 0.41 0.16 1.25 3.45 -1.98 -1.52 116.42 119.19 1pd8 h ASP 94 Ca 0.19 -0.15 -0.31 0.00 0.43 0.00 0.00 57.03 57.18 1pd8 h ASP 94 Cb 0.50 -0.11 0.03 0.00 -0.56 0.00 0.00 39.33 39.19 1pd8 h ASP 94 CO 0.02 0.72 -1.32 0.44 -1.57 0.00 0.00 179.24 177.53 1pd8 h ASP 95 N 0.34 0.88 -0.75 6.45 3.32 -1.94 -2.07 116.42 122.66 1pd8 h ASP 95 Ca 0.04 -0.85 0.01 0.00 0.02 0.00 0.00 57.03 56.26 1pd8 h ASP 95 Cb 0.75 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1pd8 h ASP 95 CO 0.06 1.65 0.50 0.00 -1.72 0.00 0.00 179.24 179.72 1pd8 h ALA 96 N 0.25 0.95 -0.46 3.45 0.00 -0.96 -1.89 119.26 120.60 1pd8 h ALA 96 Ca -0.21 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1pd8 h ALA 96 Cb 1.99 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1pd8 h ALA 96 CO 0.25 0.37 -0.13 -0.07 0.00 0.00 0.00 179.25 179.67 1pd8 h LEU 97 N 1.01 0.91 -0.61 0.00 3.38 -1.33 -3.14 115.31 115.54 1pd8 h LEU 97 Ca 0.28 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1pd8 h LEU 97 Cb -0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 1pd8 h LEU 97 CO -0.06 1.07 0.36 0.11 0.09 0.00 0.00 178.44 180.00 1pd8 h LYS 98 N 0.74 0.84 -0.91 1.13 1.57 -0.98 -2.49 116.57 116.46 1pd8 h LYS 98 Ca 0.11 -0.08 0.25 0.00 -1.87 0.00 0.00 60.65 59.06 1pd8 h LYS 98 Cb 0.68 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 1pd8 h LYS 98 CO 0.05 0.61 0.64 1.25 -0.57 0.00 0.00 179.45 181.43 1pd8 h LEU 99 N 0.83 0.12 -0.44 2.94 5.85 -1.30 -0.46 115.31 122.84 1pd8 h LEU 99 Ca 0.22 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1pd8 h LEU 99 Cb -0.00 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1pd8 h LEU 99 CO -0.04 0.04 0.26 0.74 -0.34 0.00 0.00 178.44 179.10 1pd8 h THR 100 N 0.12 1.15 -0.01 1.05 2.02 -1.47 -2.98 112.91 112.79 1pd8 h THR 100 Ca 0.45 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1pd8 h THR 100 Cb 1.59 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1pd8 h THR 100 CO -0.06 0.15 0.00 -0.62 0.37 0.00 0.00 175.52 175.36 1pd8 n GLU 101 N -4.72 1.03 -3.94 6.66 1.02 -0.19 -2.16 120.64 118.34 1pd8 n GLU 101 Ca 0.01 -0.03 -0.28 0.00 -0.02 0.00 0.00 57.16 56.83 1pd8 n GLU 101 Cb 0.06 -1.16 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 1pd8 n GLU 101 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1pd8 s GLN 102 N -1.68 3.41 0.12 3.49 -1.52 -1.12 -4.95 119.66 117.39 1pd8 s GLN 102 Ca 0.01 -0.54 0.13 0.00 -1.95 0.00 0.00 55.36 53.01 1pd8 s GLN 102 Cb 0.00 -2.98 0.61 0.00 -0.22 0.00 0.00 33.01 30.42 1pd8 s GLN 102 CO 0.00 0.56 1.41 -2.30 -0.25 0.00 0.00 175.29 174.71 1pd8 n PRO 103 N -0.12 0.07 0.00 2.91 -0.02 -1.26 0.05 135.00 136.63 1pd8 n PRO 103 Ca -0.06 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1pd8 n PRO 103 Cb 0.53 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1pd8 n PRO 103 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pd8 n GLU 104 N -1.81 0.00 0.02 -0.52 1.02 -1.26 -3.93 120.64 114.15 1pd8 n GLU 104 Ca 0.01 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 1pd8 n GLU 104 Cb 0.10 -0.66 0.49 0.00 -0.02 0.00 0.00 31.44 31.35 1pd8 n GLU 104 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1pd8 n LEU 105 N -0.17 0.11 -0.28 -4.62 4.77 -1.20 -4.35 117.00 111.27 1pd8 n LEU 105 Ca 0.00 0.52 -0.06 0.00 -0.03 0.00 0.00 56.01 56.43 1pd8 n LEU 105 Cb 0.00 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.55 1pd8 n LEU 105 CO 0.00 -0.13 0.33 0.00 -1.33 0.00 0.00 177.39 176.26 1pd8 n ALA 106 N -1.54 -0.37 1.17 -1.18 0.00 0.11 -0.44 120.51 118.25 1pd8 n ALA 106 Ca 0.05 0.58 0.13 0.00 0.00 0.00 0.00 53.44 54.21 1pd8 n ALA 106 Cb 0.28 -0.13 0.39 0.00 0.00 0.00 0.00 19.45 20.00 1pd8 n ALA 106 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pd8 n ASN 107 N -4.86 0.67 -0.03 0.00 2.04 -1.26 -4.41 115.26 107.40 1pd8 n ASN 107 Ca 0.02 -0.50 -0.21 0.00 -0.44 0.00 0.00 54.58 53.44 1pd8 n ASN 107 Cb 0.19 0.10 -0.13 0.00 -2.53 0.00 0.00 39.78 37.40 1pd8 n ASN 107 CO 0.00 0.00 0.00 0.11 -0.44 0.00 0.00 177.26 176.93 1pd8 h LYS 108 N 0.57 0.17 -5.71 -3.83 1.57 -1.01 -3.46 116.57 104.88 1pd8 h LYS 108 Ca 0.00 -0.29 -0.60 0.00 -1.87 0.00 0.00 60.65 57.89 1pd8 h LYS 108 Cb 0.48 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.82 1pd8 h LYS 108 CO 0.00 1.14 -0.26 0.08 -0.57 0.00 0.00 179.45 179.84 1pd8 s VAL 109 N -2.46 5.21 0.00 0.50 1.01 -0.66 -0.94 120.40 123.06 1pd8 s VAL 109 Ca -0.24 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1pd8 s VAL 109 Cb 0.06 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1pd8 s VAL 109 CO 0.71 0.45 0.00 -0.67 0.00 0.00 0.00 175.10 175.59 1pd8 n ASP 110 N 2.97 0.00 -4.87 3.32 4.64 0.44 -4.26 116.55 118.79 1pd8 n ASP 110 Ca -0.12 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 52.97 1pd8 n ASP 110 Cb 0.52 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.55 1pd8 n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 1pd8 s MET 111 N 0.83 3.81 -0.17 -0.67 -1.94 -1.26 0.28 119.30 120.18 1pd8 s MET 111 Ca 0.00 0.28 -0.02 0.00 -1.71 0.00 0.00 55.69 54.24 1pd8 s MET 111 Cb 0.00 -2.69 -0.01 0.00 2.01 0.00 0.00 34.83 34.13 1pd8 s MET 111 CO 0.00 0.35 -0.08 0.54 -0.01 0.00 0.00 175.02 175.82 1pd8 s VAL 112 N -1.76 3.33 -0.16 -6.03 0.11 0.43 -1.66 120.40 114.65 1pd8 s VAL 112 Ca 0.46 -0.54 -0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1pd8 s VAL 112 Cb -0.12 -2.46 -0.00 0.00 -1.53 0.00 0.00 36.38 32.27 1pd8 s VAL 112 CO 0.21 0.48 -0.15 0.26 -3.33 0.00 0.00 175.10 172.57 1pd8 s TRP 113 N 0.86 2.79 -0.33 1.54 0.52 -0.55 -0.65 118.94 123.13 1pd8 s TRP 113 Ca -0.02 -1.05 -0.17 0.00 0.02 0.00 0.00 56.10 54.88 1pd8 s TRP 113 Cb -0.15 -1.90 -0.01 0.00 -1.15 0.00 0.00 33.47 30.26 1pd8 s TRP 113 CO 0.01 -0.49 0.44 0.42 0.02 0.00 0.00 176.95 177.35 1pd8 s ILE 114 N 0.87 5.09 -1.07 2.03 1.01 0.12 -1.28 121.20 127.97 1pd8 s ILE 114 Ca -0.04 0.33 0.16 0.00 0.00 0.00 0.00 60.65 61.10 1pd8 s ILE 114 Cb -0.15 -3.87 0.53 0.00 0.01 0.00 0.00 42.46 38.98 1pd8 s ILE 114 CO -0.01 -0.09 1.45 1.33 0.00 0.00 0.00 174.94 177.61 1pd8 n VAL 115 N 5.30 1.44 0.00 2.92 0.24 -0.27 -2.17 118.33 125.79 1pd8 n VAL 115 Ca -0.07 -1.19 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 1pd8 n VAL 115 Cb 0.49 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 1pd8 n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pd8 n GLY 116 N 0.76 3.44 0.00 7.63 0.00 -1.26 -4.93 105.19 110.83 1pd8 n GLY 116 Ca 0.20 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1pd8 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pd8 n GLY 117 N -1.70 1.46 0.21 -0.02 0.00 -1.26 -1.42 105.19 102.45 1pd8 n GLY 117 Ca 0.00 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 44.09 1pd8 n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pd8 h SER 118 N 0.00 -0.01 -0.22 1.61 0.02 -1.98 0.45 113.55 113.41 1pd8 h SER 118 Ca 0.00 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1pd8 h SER 118 Cb 0.00 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1pd8 h SER 118 CO 0.00 0.02 0.02 0.77 -1.14 0.00 0.00 176.83 176.50 1pd8 h SER 119 N 0.23 0.46 -0.02 3.07 4.64 -1.96 1.66 113.55 121.64 1pd8 h SER 119 Ca 0.26 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 1pd8 h SER 119 Cb 0.36 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1pd8 h SER 119 CO -0.35 0.52 -0.16 0.58 -0.87 0.00 0.00 176.83 176.55 1pd8 h VAL 120 N 0.48 1.50 -0.04 0.95 2.07 -1.47 -2.66 116.25 117.09 1pd8 h VAL 120 Ca 0.11 -1.72 0.01 0.00 0.82 0.00 0.00 66.70 65.92 1pd8 h VAL 120 Cb 0.29 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1pd8 h VAL 120 CO 0.01 0.47 -0.05 1.88 0.02 0.00 0.00 177.57 179.90 1pd8 h TYR 121 N -0.47 -0.12 -1.00 1.57 0.99 0.43 -2.53 116.97 115.84 1pd8 h TYR 121 Ca -0.01 0.01 0.20 0.00 2.00 0.00 0.00 58.73 60.93 1pd8 h TYR 121 Cb 0.85 0.06 -0.11 0.00 1.00 0.00 0.00 36.73 38.53 1pd8 h TYR 121 CO 0.16 -0.08 0.61 1.57 -0.00 0.00 0.00 178.16 180.42 1pd8 h LYS 122 N -0.07 0.69 0.00 4.88 2.10 0.25 -1.90 116.57 122.52 1pd8 h LYS 122 Ca 0.03 -0.04 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 1pd8 h LYS 122 Cb 0.12 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.27 1pd8 h LYS 122 CO -0.08 0.46 -0.79 1.49 -2.00 0.00 0.00 179.45 178.52 1pd8 h GLU 123 N 0.71 0.00 -0.26 0.07 4.81 -1.21 -3.27 114.58 115.43 1pd8 h GLU 123 Ca 0.59 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.80 1pd8 h GLU 123 Cb 0.99 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1pd8 h GLU 123 CO -0.40 0.79 0.06 0.00 -0.73 0.00 0.00 179.01 178.74 1pd8 h ALA 124 N 1.21 0.34 0.00 2.92 0.00 -0.95 -0.79 119.26 121.99 1pd8 h ALA 124 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1pd8 h ALA 124 Cb 1.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1pd8 h ALA 124 CO 0.10 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.02 1pd8 n MET 125 N -4.70 0.07 -0.00 0.00 2.81 -0.85 -0.85 117.12 113.60 1pd8 n MET 125 Ca -0.03 0.54 0.02 0.00 -1.81 0.00 0.00 57.70 56.41 1pd8 n MET 125 Cb 0.18 -1.73 -0.03 0.00 -0.71 0.00 0.00 33.22 30.94 1pd8 n MET 125 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1pd8 n ASN 126 N -1.88 2.06 -4.77 7.83 3.02 -1.13 -4.99 115.26 115.40 1pd8 n ASN 126 Ca -0.00 -0.31 -0.41 0.00 -0.03 0.00 0.00 54.58 53.83 1pd8 n ASN 126 Cb 0.04 1.09 -0.01 0.00 -0.61 0.00 0.00 39.78 40.29 1pd8 n ASN 126 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1pd8 s HIS 127 N -1.80 2.68 0.43 3.10 2.46 -0.03 -4.95 115.29 117.18 1pd8 s HIS 127 Ca 0.00 1.01 -0.05 0.00 0.47 0.00 0.00 55.06 56.50 1pd8 s HIS 127 Cb 0.03 -4.03 -0.04 0.00 -0.13 0.00 0.00 32.58 28.41 1pd8 s HIS 127 CO 0.16 -3.19 0.72 -1.25 -2.47 0.00 0.00 174.74 168.71 1pd8 s PRO 128 N -1.39 3.56 0.00 2.88 0.04 -1.26 -4.92 135.00 133.92 1pd8 s PRO 128 Ca 0.57 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1pd8 s PRO 128 Cb -0.47 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1pd8 s PRO 128 CO 0.56 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.93 1pd8 n GLY 129 N -1.95 -0.49 3.76 0.56 0.00 -1.26 -5.00 105.19 100.81 1pd8 n GLY 129 Ca -0.00 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.43 1pd8 n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pd8 s HIS 130 N 0.00 3.86 -0.12 1.61 5.65 -1.26 -3.23 115.29 121.81 1pd8 s HIS 130 Ca 0.00 1.62 -0.26 0.00 0.25 0.00 0.00 55.06 56.67 1pd8 s HIS 130 Cb 0.00 -2.81 0.06 0.00 -1.18 0.00 0.00 32.58 28.66 1pd8 s HIS 130 CO 0.00 0.44 0.63 -1.17 -0.65 0.00 0.00 174.74 173.98 1pd8 s LEU 131 N -0.81 -0.43 -0.07 8.88 2.96 -0.93 -4.50 118.68 123.78 1pd8 s LEU 131 Ca 0.37 0.88 0.04 0.00 -0.22 0.00 0.00 54.13 55.20 1pd8 s LEU 131 Cb -0.23 2.29 -0.00 0.00 0.50 0.00 0.00 46.19 48.75 1pd8 s LEU 131 CO 0.26 -0.45 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.11 1pd8 s LYS 132 N -0.62 2.28 -0.24 1.98 1.02 -1.17 -0.49 119.74 122.50 1pd8 s LYS 132 Ca -0.07 -0.70 -0.06 0.00 0.02 0.00 0.00 55.97 55.15 1pd8 s LYS 132 Cb -0.02 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.41 1pd8 s LYS 132 CO 0.06 0.21 0.04 -0.51 -0.92 0.00 0.00 175.35 174.23 1pd8 s LEU 133 N 0.22 3.33 -0.53 3.17 1.02 0.75 -1.57 118.68 125.06 1pd8 s LEU 133 Ca -0.10 -0.23 -0.14 0.00 0.02 0.00 0.00 54.13 53.68 1pd8 s LEU 133 Cb -0.15 -1.88 0.13 0.00 0.02 0.00 0.00 46.19 44.31 1pd8 s LEU 133 CO 0.05 -0.02 0.46 -0.36 0.02 0.00 0.00 176.35 176.50 1pd8 s PHE 134 N 1.50 3.34 -0.19 0.29 0.40 -0.08 -0.82 117.98 122.42 1pd8 s PHE 134 Ca 0.06 -1.54 -0.06 0.00 -0.60 0.00 0.00 56.93 54.79 1pd8 s PHE 134 Cb -0.15 -3.70 -0.03 0.00 0.51 0.00 0.00 43.02 39.66 1pd8 s PHE 134 CO 0.02 -1.01 0.01 0.08 0.70 0.00 0.00 175.22 175.03 1pd8 s VAL 135 N 1.42 4.19 -0.31 -0.44 1.01 0.16 -2.20 120.40 124.24 1pd8 s VAL 135 Ca 0.05 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 1pd8 s VAL 135 Cb -0.28 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1pd8 s VAL 135 CO 0.01 0.44 0.35 -0.89 0.00 0.00 0.00 175.10 175.01 1pd8 s THR 136 N 0.75 5.18 -0.40 3.92 2.01 -0.28 -0.00 115.64 126.83 1pd8 s THR 136 Ca 0.01 0.28 -0.18 0.00 0.31 0.00 0.00 61.69 62.10 1pd8 s THR 136 Cb -0.14 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.64 1pd8 s THR 136 CO 0.02 0.05 0.51 -0.13 -0.69 0.00 0.00 174.62 174.37 1pd8 s ARG 137 N 2.02 3.32 -0.46 4.92 1.81 0.22 -1.17 118.95 129.61 1pd8 s ARG 137 Ca 0.13 -0.48 -0.20 0.00 -1.72 0.00 0.00 55.73 53.46 1pd8 s ARG 137 Cb -0.16 -3.91 0.03 0.00 -0.45 0.00 0.00 34.95 30.46 1pd8 s ARG 137 CO 0.11 -0.82 0.62 0.42 -0.68 0.00 0.00 175.30 174.95 1pd8 s ILE 138 N 2.38 4.86 0.00 1.52 -1.09 0.67 -1.73 121.20 127.81 1pd8 s ILE 138 Ca 0.17 -0.12 -0.01 0.00 -2.23 0.00 0.00 60.65 58.45 1pd8 s ILE 138 Cb -0.16 -4.22 -0.06 0.00 -1.58 0.00 0.00 42.46 36.44 1pd8 s ILE 138 CO 0.15 -0.65 1.44 0.23 -1.23 0.00 0.00 174.94 174.87 1pd8 n MET 139 N 6.18 0.70 -3.71 2.79 2.81 -0.12 -1.86 117.12 123.92 1pd8 n MET 139 Ca -0.04 -0.21 -0.09 0.00 -1.81 0.00 0.00 57.70 55.55 1pd8 n MET 139 Cb 0.47 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.49 1pd8 n MET 139 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1pd8 s GLN 140 N 1.47 1.61 0.22 0.03 -0.21 -1.26 -4.83 119.66 116.68 1pd8 s GLN 140 Ca 0.14 -0.81 -0.24 0.00 0.02 0.00 0.00 55.36 54.48 1pd8 s GLN 140 Cb 0.07 0.60 -0.08 0.00 1.00 0.00 0.00 33.01 34.60 1pd8 s GLN 140 CO 0.00 -0.73 0.79 -0.51 -2.12 0.00 0.00 175.29 172.73 1pd8 s ASP 141 N -2.86 7.28 -0.06 5.90 1.11 -1.26 -0.95 116.67 125.82 1pd8 s ASP 141 Ca 0.08 1.61 -0.07 0.00 0.18 0.00 0.00 52.55 54.35 1pd8 s ASP 141 Cb -0.04 -2.49 0.02 0.00 1.07 0.00 0.00 42.92 41.48 1pd8 s ASP 141 CO -0.00 0.10 0.18 -0.36 1.18 0.00 0.00 175.17 176.27 1pd8 s PHE 142 N -1.36 -0.19 -0.06 4.23 0.08 -1.26 -4.97 117.98 114.45 1pd8 s PHE 142 Ca 0.41 0.46 -0.30 0.00 0.12 0.00 0.00 56.93 57.62 1pd8 s PHE 142 Cb -0.20 0.06 -0.05 0.00 -0.57 0.00 0.00 43.02 42.26 1pd8 s PHE 142 CO 0.24 -0.11 1.58 -2.00 -0.10 0.00 0.00 175.22 174.83 1pd8 s GLU 143 N 0.00 4.20 0.15 0.44 2.12 -1.26 -4.82 118.70 119.52 1pd8 s GLU 143 Ca -0.01 2.10 0.05 0.00 0.36 0.00 0.00 54.97 57.47 1pd8 s GLU 143 Cb -0.02 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.43 1pd8 s GLU 143 CO 0.00 -0.80 -0.11 -1.12 -0.54 0.00 0.00 175.26 172.70 1pd8 s SER 144 N 2.99 1.85 0.00 -1.70 0.01 -1.26 -4.72 113.70 110.86 1pd8 s SER 144 Ca 0.70 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1pd8 s SER 144 Cb -0.32 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1pd8 s SER 144 CO 0.27 -0.31 0.35 -0.90 0.41 0.00 0.00 173.24 173.07 1pd8 n ASP 145 N -0.14 0.67 -3.78 2.44 5.68 0.72 -4.97 116.55 117.18 1pd8 n ASP 145 Ca -0.11 -1.05 -0.13 0.00 -0.50 0.00 0.00 54.79 53.01 1pd8 n ASP 145 Cb 0.60 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.45 1pd8 n ASP 145 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1pd8 s THR 146 N -0.05 -0.02 0.29 2.12 -1.32 -1.10 -4.99 115.64 110.57 1pd8 s THR 146 Ca 0.00 0.07 0.11 0.00 -1.21 0.00 0.00 61.69 60.66 1pd8 s THR 146 Cb 0.00 -0.30 -0.05 0.00 -1.51 0.00 0.00 72.50 70.64 1pd8 s THR 146 CO 0.00 0.03 -0.13 -0.36 -2.21 0.00 0.00 174.62 171.95 1pd8 s PHE 147 N 0.58 2.41 0.14 9.09 0.40 -1.26 0.16 117.98 129.51 1pd8 s PHE 147 Ca -0.04 -0.35 -0.14 0.00 -0.60 0.00 0.00 56.93 55.80 1pd8 s PHE 147 Cb -0.05 -1.14 -0.07 0.00 0.51 0.00 0.00 43.02 42.27 1pd8 s PHE 147 CO -0.03 0.66 0.54 0.12 0.70 0.00 0.00 175.22 177.21 1pd8 s PHE 148 N -2.49 3.61 0.92 0.36 5.36 -0.63 -4.64 117.98 120.47 1pd8 s PHE 148 Ca 0.31 1.05 -0.11 0.00 -0.96 0.00 0.00 56.93 57.22 1pd8 s PHE 148 Cb -0.04 -2.36 0.14 0.00 -0.34 0.00 0.00 43.02 40.42 1pd8 s PHE 148 CO 0.17 0.43 1.09 -1.25 -1.46 0.00 0.00 175.22 174.20 1pd8 s PRO 149 N -1.95 1.06 0.24 10.12 0.05 -1.26 -4.96 135.00 138.29 1pd8 s PRO 149 Ca 0.38 0.97 -0.30 0.00 0.05 0.00 0.00 61.00 62.09 1pd8 s PRO 149 Cb -0.15 -1.77 -0.11 0.00 0.05 0.00 0.00 34.50 32.52 1pd8 s PRO 149 CO 0.19 -2.42 1.54 -2.00 0.05 0.00 0.00 177.00 174.35 1pd8 s GLU 150 N -4.83 4.20 -0.30 4.56 2.12 -1.26 -4.99 118.70 118.20 1pd8 s GLU 150 Ca 0.64 2.42 -0.20 0.00 0.36 0.00 0.00 54.97 58.19 1pd8 s GLU 150 Cb -0.19 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 1pd8 s GLU 150 CO 0.58 -0.55 0.64 0.42 -0.54 0.00 0.00 175.26 175.81 1pd8 s ILE 151 N 0.34 4.93 -0.67 -3.70 1.01 -1.26 -5.00 121.20 116.84 1pd8 s ILE 151 Ca 0.64 0.88 -0.27 0.00 0.00 0.00 0.00 60.65 61.90 1pd8 s ILE 151 Cb -0.45 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.02 1pd8 s ILE 151 CO 0.41 -0.15 1.57 -0.62 0.00 0.00 0.00 174.94 176.16 1pd8 s ASP 152 N 1.64 5.71 0.00 3.58 3.68 -1.26 -4.85 116.67 125.17 1pd8 s ASP 152 Ca 0.26 -0.05 0.12 0.00 2.13 0.00 0.00 52.55 55.01 1pd8 s ASP 152 Cb -0.15 -2.54 0.54 0.00 -1.45 0.00 0.00 42.92 39.31 1pd8 s ASP 152 CO 0.12 -2.11 1.33 0.18 0.13 0.00 0.00 175.17 174.82 1pd8 n LEU 153 N 11.08 0.00 0.09 -1.34 4.77 -1.26 -1.26 117.00 129.08 1pd8 n LEU 153 Ca 0.12 0.41 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 1pd8 n LEU 153 Cb 0.51 -0.41 0.44 0.00 -2.33 0.00 0.00 43.42 41.63 1pd8 n LEU 153 CO 0.71 -0.25 0.89 -0.62 -1.33 0.00 0.00 177.39 176.80 1pd8 n GLU 154 N -1.41 0.21 -0.04 3.23 -0.58 -1.26 -4.12 120.64 116.68 1pd8 n GLU 154 Ca 0.04 0.20 -0.05 0.00 -0.42 0.00 0.00 57.16 56.94 1pd8 n GLU 154 Cb 0.12 -1.76 -0.04 0.00 -0.57 0.00 0.00 31.44 29.18 1pd8 n GLU 154 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1pd8 n LYS 155 N -2.14 1.29 -4.18 3.49 5.02 -0.41 -4.99 118.16 116.25 1pd8 n LYS 155 Ca 0.05 0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 56.03 1pd8 n LYS 155 Cb 0.39 -1.17 -0.11 0.00 -0.02 0.00 0.00 35.03 34.12 1pd8 n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1pd8 s TYR 156 N -2.17 3.14 -0.16 2.13 1.51 -0.39 -4.46 117.35 116.95 1pd8 s TYR 156 Ca -0.08 -0.12 -0.10 0.00 -1.01 0.00 0.00 57.07 55.75 1pd8 s TYR 156 Cb 0.03 -2.03 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 1pd8 s TYR 156 CO 0.23 0.05 0.18 0.15 -1.11 0.00 0.00 175.55 175.04 1pd8 s LYS 157 N 0.41 4.02 0.05 -0.62 -0.14 -0.68 -4.39 119.74 118.39 1pd8 s LYS 157 Ca -0.00 -0.10 -0.30 0.00 -1.36 0.00 0.00 55.97 54.20 1pd8 s LYS 157 Cb -0.13 -3.36 -0.05 0.00 -1.68 0.00 0.00 37.83 32.61 1pd8 s LYS 157 CO 0.02 0.42 1.14 -1.17 -0.76 0.00 0.00 175.35 174.99 1pd8 s LEU 158 N -0.01 4.38 0.22 3.17 2.96 -1.26 -1.95 118.68 126.18 1pd8 s LEU 158 Ca 0.12 1.93 -0.29 0.00 -0.22 0.00 0.00 54.13 55.67 1pd8 s LEU 158 Cb -0.12 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 1pd8 s LEU 158 CO 0.01 -0.40 0.92 -0.76 -1.32 0.00 0.00 176.35 174.80 1pd8 s LEU 159 N 0.96 4.63 0.44 -0.68 1.43 -0.17 -4.93 118.68 120.36 1pd8 s LEU 159 Ca 0.56 1.89 0.21 0.00 -1.03 0.00 0.00 54.13 55.76 1pd8 s LEU 159 Cb -0.27 -3.56 1.01 0.00 0.03 0.00 0.00 46.19 43.40 1pd8 s LEU 159 CO 0.29 0.15 1.90 1.55 0.23 0.00 0.00 176.35 180.47 1pd8 h PRO 160 N 4.29 0.00 -2.05 1.29 0.13 -1.95 -3.44 132.00 130.27 1pd8 h PRO 160 Ca -0.45 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.89 1pd8 h PRO 160 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 1pd8 h PRO 160 CO 0.68 0.26 0.59 -1.83 -0.23 0.00 0.00 178.00 177.47 1pd8 s GLU 161 N -4.00 0.88 -0.25 0.86 -1.05 -1.26 -5.06 118.70 108.82 1pd8 s GLU 161 Ca -0.02 -0.46 -0.15 0.00 -0.15 0.00 0.00 54.97 54.19 1pd8 s GLU 161 Cb 0.13 0.32 0.07 0.00 -0.44 0.00 0.00 34.13 34.21 1pd8 s GLU 161 CO 0.65 -0.40 0.61 -0.47 0.95 0.00 0.00 175.26 176.61 1pd8 s TYR 162 N -2.99 -0.89 -0.01 4.83 5.04 -1.26 -5.06 117.35 117.01 1pd8 s TYR 162 Ca 0.11 1.86 -0.34 0.00 -2.44 0.00 0.00 57.07 56.25 1pd8 s TYR 162 Cb 0.00 0.48 -0.13 0.00 0.35 0.00 0.00 41.96 42.66 1pd8 s TYR 162 CO -0.02 -0.45 1.76 -0.35 -1.34 0.00 0.00 175.55 175.16 1pd8 n PRO 163 N 4.03 2.10 -0.92 4.97 -0.04 -1.26 -2.32 135.00 141.55 1pd8 n PRO 163 Ca -0.20 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1pd8 n PRO 163 Cb 0.57 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1pd8 n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pd8 n GLY 164 N 4.02 0.45 3.00 0.55 0.00 -1.26 -5.04 105.19 106.91 1pd8 n GLY 164 Ca 0.21 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1pd8 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pd8 s VAL 165 N -2.00 1.74 0.21 1.61 1.01 -0.98 -5.11 120.40 116.89 1pd8 s VAL 165 Ca 0.00 -1.20 -0.32 0.00 0.00 0.00 0.00 61.98 60.46 1pd8 s VAL 165 Cb 0.00 -1.87 -0.13 0.00 0.00 0.00 0.00 36.38 34.38 1pd8 s VAL 165 CO 0.00 0.07 1.49 0.18 0.00 0.00 0.00 175.10 176.84 1pd8 n LEU 166 N 4.62 3.20 0.06 3.92 7.99 -1.26 -4.62 117.00 130.90 1pd8 n LEU 166 Ca -0.14 1.12 0.12 0.00 -0.01 0.00 0.00 56.01 57.10 1pd8 n LEU 166 Cb 0.45 -1.44 0.12 0.00 -0.11 0.00 0.00 43.42 42.44 1pd8 n LEU 166 CO 0.20 -0.36 0.23 0.28 -1.51 0.00 0.00 177.39 176.23 1pd8 h SER 167 N 4.94 0.00 -1.98 -1.43 0.02 -1.95 -3.39 113.55 109.76 1pd8 h SER 167 Ca -0.45 -0.23 -0.47 0.00 -0.84 0.00 0.00 61.79 59.79 1pd8 h SER 167 Cb 1.26 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 1pd8 h SER 167 CO 0.81 0.12 -0.43 1.51 -1.14 0.00 0.00 176.83 177.70 1pd8 s ASP 168 N -4.26 5.78 0.20 3.07 3.84 -1.26 -4.92 116.67 119.13 1pd8 s ASP 168 Ca 0.05 -0.22 -0.32 0.00 -0.00 0.00 0.00 52.55 52.05 1pd8 s ASP 168 Cb 0.13 -1.34 -0.13 0.00 -1.38 0.00 0.00 42.92 40.20 1pd8 s ASP 168 CO 0.75 -0.25 1.52 0.52 -0.00 0.00 0.00 175.17 177.71 1pd8 n VAL 169 N -1.42 0.45 -4.03 2.11 0.31 -1.26 -4.76 118.33 109.73 1pd8 n VAL 169 Ca -0.04 -0.11 -0.21 0.00 -0.01 0.00 0.00 64.34 63.96 1pd8 n VAL 169 Cb 0.58 -1.56 -0.04 0.00 -0.91 0.00 0.00 33.84 31.92 1pd8 n VAL 169 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1pd8 s GLN 170 N 0.30 3.01 -0.14 5.55 -1.52 0.21 -4.95 119.66 122.12 1pd8 s GLN 170 Ca 0.73 -1.02 -0.07 0.00 -1.95 0.00 0.00 55.36 53.06 1pd8 s GLN 170 Cb -0.65 -2.63 0.06 0.00 -0.22 0.00 0.00 33.01 29.57 1pd8 s GLN 170 CO 0.43 0.36 0.31 -2.00 -0.25 0.00 0.00 175.29 174.14 1pd8 s GLU 171 N -3.90 0.27 -0.12 2.91 2.12 -1.26 -1.04 118.70 117.68 1pd8 s GLU 171 Ca 0.34 0.67 -0.10 0.00 0.36 0.00 0.00 54.97 56.24 1pd8 s GLU 171 Cb -0.08 -0.05 0.03 0.00 0.26 0.00 0.00 34.13 34.29 1pd8 s GLU 171 CO 0.26 -0.18 0.32 -2.00 -0.54 0.00 0.00 175.26 173.12 1pd8 s GLU 172 N 1.52 0.36 -1.27 4.30 2.12 0.88 -4.83 118.70 121.78 1pd8 s GLU 172 Ca -0.08 0.48 -0.02 0.00 0.36 0.00 0.00 54.97 55.71 1pd8 s GLU 172 Cb -0.10 0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.45 1pd8 s GLU 172 CO -0.10 -0.06 0.15 1.63 -0.54 0.00 0.00 175.26 176.33 1pd8 n LYS 173 N 3.11 -2.62 -2.69 4.30 5.02 -1.26 0.20 118.16 124.22 1pd8 n LYS 173 Ca -0.15 0.68 -0.21 0.00 -2.02 0.00 0.00 58.31 56.61 1pd8 n LYS 173 Cb 0.57 -5.34 0.01 0.00 -0.02 0.00 0.00 35.03 30.26 1pd8 n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pd8 n GLY 174 N -0.98 -0.47 3.26 0.72 0.00 -1.26 -4.97 105.19 101.48 1pd8 n GLY 174 Ca -0.14 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1pd8 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pd8 s ILE 175 N -3.09 2.89 -0.01 -0.61 1.01 0.13 -5.12 121.20 116.40 1pd8 s ILE 175 Ca 0.15 -0.67 -0.17 0.00 0.00 0.00 0.00 60.65 59.96 1pd8 s ILE 175 Cb -0.07 -2.27 -0.06 0.00 0.01 0.00 0.00 42.46 40.08 1pd8 s ILE 175 CO 0.19 0.48 0.47 -0.54 0.00 0.00 0.00 174.94 175.54 1pd8 s LYS 176 N 1.21 4.11 0.07 2.79 1.02 -1.26 -0.08 119.74 127.61 1pd8 s LYS 176 Ca 0.02 0.51 -0.12 0.00 0.02 0.00 0.00 55.97 56.40 1pd8 s LYS 176 Cb -0.14 -3.29 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1pd8 s LYS 176 CO -0.04 0.52 0.28 1.52 -0.92 0.00 0.00 175.35 176.72 1pd8 s TYR 177 N -0.60 -0.04 0.04 3.18 -0.85 -0.21 -0.94 117.35 117.93 1pd8 s TYR 177 Ca 0.26 -0.23 0.01 0.00 -0.52 0.00 0.00 57.07 56.58 1pd8 s TYR 177 Cb -0.17 0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 1pd8 s TYR 177 CO 0.14 -0.56 -0.05 -1.59 -1.52 0.00 0.00 175.55 171.98 1pd8 s LYS 178 N -3.23 0.47 -0.19 -3.49 -2.85 -0.70 0.63 119.74 110.38 1pd8 s LYS 178 Ca -0.00 -0.82 -0.16 0.00 -1.00 0.00 0.00 55.97 53.98 1pd8 s LYS 178 Cb 0.02 -0.02 -0.04 0.00 -2.06 0.00 0.00 37.83 35.73 1pd8 s LYS 178 CO -0.08 -0.03 0.42 -0.06 0.10 0.00 0.00 175.35 175.71 1pd8 s PHE 179 N -2.03 3.39 0.07 1.78 0.40 -1.26 -0.61 117.98 119.71 1pd8 s PHE 179 Ca -0.08 0.67 0.08 0.00 -0.60 0.00 0.00 56.93 57.00 1pd8 s PHE 179 Cb -0.06 -2.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 1pd8 s PHE 179 CO -0.02 0.00 -0.21 -1.21 0.70 0.00 0.00 175.22 174.48 1pd8 s GLU 180 N 1.26 1.31 -0.11 0.44 2.02 1.00 -4.81 118.70 119.80 1pd8 s GLU 180 Ca 0.21 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 54.16 1pd8 s GLU 180 Cb -0.15 -1.49 0.02 0.00 0.10 0.00 0.00 34.13 32.61 1pd8 s GLU 180 CO 0.08 0.37 -0.09 0.08 0.02 0.00 0.00 175.26 175.72 1pd8 s VAL 181 N -0.93 1.14 0.03 2.63 1.01 -1.26 -0.66 120.40 122.36 1pd8 s VAL 181 Ca 0.07 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1pd8 s VAL 181 Cb -0.09 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1pd8 s VAL 181 CO 0.03 0.38 -0.24 -0.31 0.00 0.00 0.00 175.10 174.96 1pd8 s TYR 182 N 1.51 2.39 0.00 5.22 1.51 0.00 -1.00 117.35 126.99 1pd8 s TYR 182 Ca 0.02 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.76 1pd8 s TYR 182 Cb -0.13 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.28 1pd8 s TYR 182 CO -0.07 0.14 -0.16 -2.00 -1.11 0.00 0.00 175.55 172.35 1pd8 s GLU 183 N -1.20 1.23 0.15 -0.62 2.12 -0.82 -0.18 118.70 119.37 1pd8 s GLU 183 Ca 0.12 -0.63 0.06 0.00 0.36 0.00 0.00 54.97 54.88 1pd8 s GLU 183 Cb -0.10 -1.21 -0.04 0.00 0.26 0.00 0.00 34.13 33.04 1pd8 s GLU 183 CO 0.02 0.32 -0.13 0.21 -0.54 0.00 0.00 175.26 175.15 1pd8 s LYS 184 N -0.59 1.10 -0.32 4.30 2.20 0.35 -1.69 119.74 125.10 1pd8 s LYS 184 Ca 0.05 -1.37 0.06 0.00 -0.36 0.00 0.00 55.97 54.36 1pd8 s LYS 184 Cb -0.07 -0.89 0.20 0.00 -1.51 0.00 0.00 37.83 35.56 1pd8 s LYS 184 CO -0.00 0.15 0.60 1.21 -0.36 0.00 0.00 175.35 176.96 1pd8 s ASN 185 N -2.81 -1.61 0.00 1.43 3.04 -1.26 -2.20 114.94 111.54 1pd8 s ASN 185 Ca 0.14 -0.03 0.00 0.00 0.04 0.00 0.00 52.86 53.01 1pd8 s ASN 185 Cb -0.02 2.01 0.00 0.00 -1.54 0.00 0.00 41.25 41.70 1pd8 s ASN 185 CO 0.03 -0.27 0.00 -0.90 -3.04 0.00 0.00 177.10 172.92