#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d84 n ARG 2 N 0.00 0.00 -1.74 1.45 5.12 -1.26 -4.68 116.66 115.55 3d84 n ARG 2 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 3d84 n ARG 2 Cb 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3d84 n ARG 2 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3d84 n PRO 3 N -2.57 2.42 -3.56 5.56 -0.02 -1.26 -4.86 135.00 130.71 3d84 n PRO 3 Ca 0.00 0.85 -0.38 0.00 -2.02 0.00 0.00 63.50 61.95 3d84 n PRO 3 Cb 0.00 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 30.86 3d84 n PRO 3 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3d84 s LEU 4 N -1.67 4.07 -0.38 2.45 1.02 -0.63 -4.31 118.68 119.23 3d84 s LEU 4 Ca 0.55 0.14 -0.06 0.00 0.02 0.00 0.00 54.13 54.77 3d84 s LEU 4 Cb -0.51 -2.21 0.07 0.00 0.02 0.00 0.00 46.19 43.56 3d84 s LEU 4 CO 0.63 -0.04 0.18 0.20 0.02 0.00 0.00 176.35 177.34 3d84 s ASN 5 N 1.42 5.40 0.25 2.29 0.01 -0.34 -1.05 114.94 122.92 3d84 s ASN 5 Ca 0.10 -1.48 -0.30 0.00 -0.71 0.00 0.00 52.86 50.47 3d84 s ASN 5 Cb -0.15 -1.89 -0.09 0.00 0.41 0.00 0.00 41.25 39.52 3d84 s ASN 5 CO 0.08 -0.45 0.96 0.00 -1.51 0.00 0.00 177.10 176.18 3d84 s ILE 7 N -1.20 0.69 0.01 0.00 2.07 -0.70 0.45 121.20 122.52 3d84 s ILE 7 Ca 0.42 -0.25 -0.17 0.00 -1.41 0.00 0.00 60.65 59.24 3d84 s ILE 7 Cb -0.27 -0.66 0.03 0.00 0.13 0.00 0.00 42.46 41.70 3d84 s ILE 7 CO 0.33 0.24 0.37 0.54 -1.91 0.00 0.00 174.94 174.52 3d84 s VAL 8 N 0.59 0.06 -0.12 4.00 0.11 -0.47 -4.61 120.40 119.95 3d84 s VAL 8 Ca -0.09 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.50 3d84 s VAL 8 Cb -0.12 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 3d84 s VAL 8 CO 0.01 -0.26 -0.16 0.00 -3.33 0.00 0.00 175.10 171.36 3d84 s ALA 9 N -1.95 2.52 -0.03 1.54 0.00 -1.26 -0.95 121.76 121.62 3d84 s ALA 9 Ca -0.09 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 50.99 3d84 s ALA 9 Cb -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.99 3d84 s ALA 9 CO 0.01 0.27 -0.11 0.14 0.00 0.00 0.00 175.76 176.07 3d84 s VAL 10 N 0.30 0.98 0.91 0.00 -7.23 -0.00 -4.61 120.40 110.74 3d84 s VAL 10 Ca -0.12 -0.47 -0.13 0.00 -1.81 0.00 0.00 61.98 59.46 3d84 s VAL 10 Cb -0.16 -0.86 0.14 0.00 0.56 0.00 0.00 36.38 36.06 3d84 s VAL 10 CO 0.06 0.30 1.15 -0.94 -0.31 0.00 0.00 175.10 175.35 3d84 s SER 11 N 0.15 3.52 0.47 4.85 1.04 -0.41 -1.06 113.70 122.26 3d84 s SER 11 Ca -0.03 0.92 0.19 0.00 0.48 0.00 0.00 55.95 57.50 3d84 s SER 11 Cb -0.09 -1.46 1.18 0.00 0.10 0.00 0.00 66.02 65.74 3d84 s SER 11 CO 0.01 -2.54 1.97 1.56 0.98 0.00 0.00 173.24 175.22 3d84 h GLN 12 N -1.49 0.25 -0.47 4.02 4.20 -0.84 -0.11 115.11 120.66 3d84 h GLN 12 Ca -0.50 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.20 3d84 h GLN 12 Cb 1.33 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3d84 h GLN 12 CO 0.61 0.16 0.00 0.27 -0.67 0.00 0.00 178.83 179.20 3d84 n ASN 13 N -4.44 1.35 -0.79 1.46 6.94 -1.26 -4.90 115.26 113.62 3d84 n ASN 13 Ca 0.11 -2.08 -0.10 0.00 -0.02 0.00 0.00 54.58 52.48 3d84 n ASN 13 Cb 0.50 -0.29 -0.04 0.00 -2.36 0.00 0.00 39.78 37.59 3d84 n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3d84 n MET 14 N 0.04 -1.10 -2.31 -3.83 2.81 -0.05 -4.98 117.12 107.70 3d84 n MET 14 Ca 0.06 0.82 -0.41 0.00 -1.81 0.00 0.00 57.70 56.36 3d84 n MET 14 Cb 0.27 -4.91 -0.03 0.00 -0.71 0.00 0.00 33.22 27.84 3d84 n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3d84 s GLY 15 N -2.61 2.90 0.00 3.03 0.00 -1.26 -1.14 107.32 108.24 3d84 s GLY 15 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.77 3d84 s GLY 15 CO 0.00 1.77 0.00 0.29 0.00 0.00 0.00 173.10 175.16 3d84 n ILE 16 N 1.46 0.00 -3.75 0.90 -5.35 -0.30 -1.29 119.36 111.03 3d84 n ILE 16 Ca 0.01 -0.02 -0.12 0.00 -0.27 0.00 0.00 62.75 62.35 3d84 n ILE 16 Cb 0.43 0.46 -0.07 0.00 -1.74 0.00 0.00 39.64 38.72 3d84 n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3d84 s GLY 17 N -1.68 -0.13 -0.24 3.28 0.00 -1.07 -4.41 107.32 103.07 3d84 s GLY 17 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 44.72 44.69 3d84 s GLY 17 CO 0.00 -0.16 0.52 1.25 0.00 0.00 0.00 173.10 174.71 3d84 s LYS 18 N -2.38 0.45 -1.75 2.90 2.47 0.60 0.11 119.74 122.13 3d84 s LYS 18 Ca -0.06 1.19 -0.20 0.00 -1.56 0.00 0.00 55.97 55.34 3d84 s LYS 18 Cb -0.01 0.51 0.18 0.00 -1.46 0.00 0.00 37.83 37.04 3d84 s LYS 18 CO -0.02 -0.22 0.74 0.09 0.16 0.00 0.00 175.35 176.10 3d84 n ASN 19 N 5.28 -2.93 0.00 1.43 3.02 -1.26 -0.38 115.26 120.41 3d84 n ASN 19 Ca -0.11 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3d84 n ASN 19 Cb 0.50 -2.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.21 3d84 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d84 n GLY 20 N -1.31 0.54 1.71 7.41 0.00 -1.26 -5.01 105.19 107.27 3d84 n GLY 20 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 3d84 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d84 n ASP 21 N -0.09 1.47 -4.80 1.61 -0.08 0.48 -4.76 116.55 110.38 3d84 n ASP 21 Ca 0.00 -2.09 -0.35 0.00 -1.51 0.00 0.00 54.79 50.84 3d84 n ASP 21 Cb 0.04 0.43 -0.07 0.00 2.34 0.00 0.00 41.12 43.87 3d84 n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3d84 s LEU 22 N 0.00 4.14 0.42 -2.67 1.43 -1.26 -0.29 118.68 120.45 3d84 s LEU 22 Ca 0.08 1.72 0.11 0.00 -1.03 0.00 0.00 54.13 55.01 3d84 s LEU 22 Cb 0.00 -4.25 0.90 0.00 0.03 0.00 0.00 46.19 42.88 3d84 s LEU 22 CO 0.06 -0.21 1.97 -0.65 0.23 0.00 0.00 176.35 177.75 3d84 h PRO 23 N 2.54 0.16 -6.19 1.29 0.11 -1.83 -3.42 132.00 124.66 3d84 h PRO 23 Ca -0.48 -0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.11 3d84 h PRO 23 Cb 1.19 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3d84 h PRO 23 CO 0.63 0.28 -0.49 1.67 -0.21 0.00 0.00 178.00 179.88 3d84 s TRP 24 N -4.79 3.24 0.89 0.65 -2.14 -1.26 -4.76 118.94 110.77 3d84 s TRP 24 Ca -0.05 -0.08 -0.11 0.00 2.66 0.00 0.00 56.10 58.52 3d84 s TRP 24 Cb 0.16 -1.47 0.12 0.00 -3.10 0.00 0.00 33.47 29.17 3d84 s TRP 24 CO 0.72 0.48 1.06 -0.35 -2.66 0.00 0.00 176.95 176.20 3d84 n PRO 25 N -1.27 -0.28 -1.64 3.25 -0.04 -1.26 -4.86 135.00 128.89 3d84 n PRO 25 Ca -0.08 -0.01 -0.49 0.00 -0.04 0.00 0.00 63.50 62.87 3d84 n PRO 25 Cb 0.58 -2.32 -0.05 0.00 -0.04 0.00 0.00 33.50 31.67 3d84 n PRO 25 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3d84 n PRO 26 N -3.64 1.68 -3.62 0.54 -0.02 -1.26 -4.93 135.00 123.75 3d84 n PRO 26 Ca 0.12 0.61 -0.38 0.00 -2.02 0.00 0.00 63.50 61.82 3d84 n PRO 26 Cb 0.52 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 3d84 n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3d84 s LEU 27 N 1.21 5.61 0.41 2.45 1.43 -1.26 -4.94 118.68 123.58 3d84 s LEU 27 Ca 0.84 -3.06 0.07 0.00 -1.03 0.00 0.00 54.13 50.95 3d84 s LEU 27 Cb -0.82 -1.94 0.87 0.00 0.03 0.00 0.00 46.19 44.33 3d84 s LEU 27 CO 0.45 -0.36 2.05 0.03 0.23 0.00 0.00 176.35 178.75 3d84 h ARG 28 N 6.90 0.54 -0.40 1.70 3.08 -1.99 -1.22 114.38 122.99 3d84 h ARG 28 Ca 0.05 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 3d84 h ARG 28 Cb 0.93 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3d84 h ARG 28 CO 0.76 0.36 -0.27 -0.91 -1.07 0.00 0.00 179.97 178.83 3d84 h ASN 29 N 0.55 0.86 -0.46 7.04 2.35 -2.00 -1.58 115.58 122.35 3d84 h ASN 29 Ca 0.16 -0.34 -0.14 0.00 -0.55 0.00 0.00 56.30 55.43 3d84 h ASN 29 Cb -0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 3d84 h ASN 29 CO -0.04 1.08 -0.27 -0.08 -1.65 0.00 0.00 177.43 176.47 3d84 h GLU 30 N 0.71 0.99 -0.35 0.81 4.22 -1.86 -2.88 114.58 116.22 3d84 h GLU 30 Ca 0.09 -0.45 -0.03 0.00 0.08 0.00 0.00 59.36 59.05 3d84 h GLU 30 Cb 0.81 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3d84 h GLU 30 CO 0.07 1.13 0.09 0.35 -2.18 0.00 0.00 179.01 178.47 3d84 h PHE 31 N 0.84 0.51 -0.93 0.92 3.57 -1.13 -1.13 116.94 119.59 3d84 h PHE 31 Ca 0.10 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.61 3d84 h PHE 31 Cb 0.86 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 3d84 h PHE 31 CO 0.06 0.44 0.60 0.87 -2.23 0.00 0.00 178.31 178.04 3d84 h LYS 32 N 0.50 1.13 -0.23 1.11 1.57 -1.08 0.11 116.57 119.68 3d84 h LYS 32 Ca 0.12 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3d84 h LYS 32 Cb 0.18 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3d84 h LYS 32 CO -0.01 0.75 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.66 3d84 h TYR 33 N 1.16 0.47 -0.35 -1.35 5.03 -1.15 0.43 116.97 121.21 3d84 h TYR 33 Ca 0.37 -0.09 0.07 0.00 2.58 0.00 0.00 58.73 61.66 3d84 h TYR 33 Cb 0.02 -0.12 -0.06 0.00 1.55 0.00 0.00 36.73 38.11 3d84 h TYR 33 CO -0.01 0.64 -0.06 0.35 -1.32 0.00 0.00 178.16 177.76 3d84 h PHE 34 N 0.17 -0.13 -0.10 -3.82 3.57 -0.96 0.22 116.94 115.88 3d84 h PHE 34 Ca 0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3d84 h PHE 34 Cb 0.48 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 3d84 h PHE 34 CO 0.05 -0.13 0.06 1.96 -2.23 0.00 0.00 178.31 178.02 3d84 h GLN 35 N 0.03 0.14 -0.06 1.11 1.08 -0.58 -1.82 115.11 115.01 3d84 h GLN 35 Ca 0.17 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3d84 h GLN 35 Cb 0.26 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3d84 h GLN 35 CO -0.34 0.15 0.04 -0.09 -0.95 0.00 0.00 178.83 177.64 3d84 h ARG 36 N 0.09 0.08 0.10 1.46 2.43 -0.74 -1.02 114.38 116.79 3d84 h ARG 36 Ca 0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3d84 h ARG 36 Cb 0.05 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3d84 h ARG 36 CO -0.01 0.06 -0.05 0.52 -1.51 0.00 0.00 179.97 178.98 3d84 h MET 37 N 0.08 -0.13 -0.04 0.20 2.86 -0.91 -1.60 114.93 115.39 3d84 h MET 37 Ca 0.02 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 3d84 h MET 37 Cb -0.01 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3d84 h MET 37 CO -0.00 0.04 -0.33 1.79 1.06 0.00 0.00 176.91 179.47 3d84 h THR 38 N -0.28 1.25 0.03 2.22 1.35 -1.36 -3.29 112.91 112.84 3d84 h THR 38 Ca -0.01 -1.19 -0.30 0.00 -0.55 0.00 0.00 66.41 64.36 3d84 h THR 38 Cb 0.23 1.59 -0.04 0.00 -1.73 0.00 0.00 68.15 68.20 3d84 h THR 38 CO 0.02 0.35 -1.67 0.74 -0.25 0.00 0.00 175.52 174.71 3d84 h THR 39 N 0.07 0.92 -2.53 6.82 2.02 -1.13 -3.42 112.91 115.65 3d84 h THR 39 Ca 0.01 -2.73 -0.54 0.00 0.77 0.00 0.00 66.41 63.93 3d84 h THR 39 Cb 0.61 2.50 -0.06 0.00 -1.74 0.00 0.00 68.15 69.46 3d84 h THR 39 CO 0.04 0.62 1.14 -0.89 0.37 0.00 0.00 175.52 176.80 3d84 s THR 40 N -2.60 3.68 0.75 3.16 2.01 -0.61 -4.50 115.64 117.53 3d84 s THR 40 Ca -0.07 0.51 -0.11 0.00 0.31 0.00 0.00 61.69 62.32 3d84 s THR 40 Cb 0.08 -4.45 0.04 0.00 0.01 0.00 0.00 72.50 68.18 3d84 s THR 40 CO 0.82 -1.28 1.09 -0.94 -0.69 0.00 0.00 174.62 173.62 3d84 s SER 41 N 5.01 4.90 0.00 3.53 1.04 -1.26 -4.94 113.70 121.98 3d84 s SER 41 Ca 0.51 1.34 0.25 0.00 0.48 0.00 0.00 55.95 58.53 3d84 s SER 41 Cb -0.11 -2.12 0.53 0.00 0.10 0.00 0.00 66.02 64.43 3d84 s SER 41 CO 0.22 -1.71 1.43 -1.54 0.98 0.00 0.00 173.24 172.62 3d84 n SER 42 N -3.27 1.71 -3.71 7.02 3.41 -1.26 -4.84 113.62 112.69 3d84 n SER 42 Ca 0.07 -1.37 -0.18 0.00 -0.26 0.00 0.00 58.87 57.13 3d84 n SER 42 Cb 0.56 0.17 -0.17 0.00 -0.26 0.00 0.00 64.21 64.51 3d84 n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3d84 s VAL 43 N -2.30 -0.11 0.33 -3.33 1.01 -1.26 -5.14 120.40 109.61 3d84 s VAL 43 Ca 0.26 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 3d84 s VAL 43 Cb 0.19 -0.15 -0.11 0.00 0.00 0.00 0.00 36.38 36.32 3d84 s VAL 43 CO 0.46 0.14 1.46 -0.70 0.00 0.00 0.00 175.10 176.46 3d84 s GLU 44 N 1.78 4.19 0.00 2.72 2.56 -1.26 -2.53 118.70 126.16 3d84 s GLU 44 Ca -0.00 2.46 0.00 0.00 0.00 0.00 0.00 54.97 57.42 3d84 s GLU 44 Cb -0.12 -3.02 0.00 0.00 2.00 0.00 0.00 34.13 32.98 3d84 s GLU 44 CO -0.03 -0.46 0.00 0.41 -0.56 0.00 0.00 175.26 174.61 3d84 n GLY 45 N 1.14 2.20 3.62 -1.50 0.00 -1.26 -5.04 105.19 104.34 3d84 n GLY 45 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3d84 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d84 s LYS 46 N -0.58 2.54 0.11 1.61 1.02 -1.05 -4.78 119.74 118.61 3d84 s LYS 46 Ca 0.00 -0.76 0.02 0.00 0.02 0.00 0.00 55.97 55.26 3d84 s LYS 46 Cb 0.00 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 3d84 s LYS 46 CO 0.00 0.59 0.19 -0.65 -0.92 0.00 0.00 175.35 174.55 3d84 s GLN 47 N -1.66 3.20 0.69 1.68 -0.21 -0.41 -4.72 119.66 118.23 3d84 s GLN 47 Ca 0.19 -0.63 -0.11 0.00 0.02 0.00 0.00 55.36 54.83 3d84 s GLN 47 Cb -0.11 -2.86 0.00 0.00 1.00 0.00 0.00 33.01 31.04 3d84 s GLN 47 CO 0.10 0.55 1.06 -0.80 -2.12 0.00 0.00 175.29 174.08 3d84 s ASN 48 N -2.82 5.49 -0.04 5.90 0.01 -1.26 -0.47 114.94 121.76 3d84 s ASN 48 Ca 0.33 1.52 0.05 0.00 -0.71 0.00 0.00 52.86 54.05 3d84 s ASN 48 Cb -0.12 -2.42 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 3d84 s ASN 48 CO 0.26 -1.36 -0.19 -0.22 -1.51 0.00 0.00 177.10 174.08 3d84 s LEU 49 N -5.47 1.98 -0.13 0.60 0.20 0.19 -1.38 118.68 114.67 3d84 s LEU 49 Ca 0.58 -0.38 -0.02 0.00 0.69 0.00 0.00 54.13 55.00 3d84 s LEU 49 Cb -0.13 -1.05 -0.03 0.00 -0.43 0.00 0.00 46.19 44.55 3d84 s LEU 49 CO 0.55 0.19 -0.05 0.68 -0.29 0.00 0.00 176.35 177.42 3d84 s VAL 50 N -0.14 3.76 -0.15 1.68 -7.23 0.14 -0.23 120.40 118.23 3d84 s VAL 50 Ca -0.00 -0.42 -0.03 0.00 -1.81 0.00 0.00 61.98 59.72 3d84 s VAL 50 Cb -0.11 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 3d84 s VAL 50 CO 0.02 0.53 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.65 3d84 s ILE 51 N 0.01 3.72 0.05 -0.62 1.01 -0.19 -0.60 121.20 124.59 3d84 s ILE 51 Ca -0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 3d84 s ILE 51 Cb -0.13 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 3d84 s ILE 51 CO 0.03 0.51 0.04 0.00 0.00 0.00 0.00 174.94 175.51 3d84 s MET 52 N 0.29 0.62 0.70 2.79 0.23 -0.33 -1.52 119.30 122.08 3d84 s MET 52 Ca -0.05 -1.00 -0.13 0.00 -1.03 0.00 0.00 55.69 53.48 3d84 s MET 52 Cb -0.14 0.23 0.02 0.00 -1.53 0.00 0.00 34.83 33.40 3d84 s MET 52 CO 0.03 -0.14 1.10 0.20 -2.03 0.00 0.00 175.02 174.19 3d84 s GLY 53 N -2.56 1.97 0.29 3.16 0.00 0.00 -0.61 107.32 109.57 3d84 s GLY 53 Ca 0.01 0.43 0.01 0.00 0.00 0.00 0.00 44.72 45.18 3d84 s GLY 53 CO -0.08 0.78 1.86 -0.09 0.00 0.00 0.00 173.10 175.57 3d84 h ARG 54 N -0.40 0.97 -0.08 2.90 1.12 -1.76 -1.70 114.38 115.43 3d84 h ARG 54 Ca -0.45 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 58.34 3d84 h ARG 54 Cb 1.24 -0.22 -0.00 0.00 -0.01 0.00 0.00 29.97 30.98 3d84 h ARG 54 CO 0.53 0.64 -0.03 0.87 -3.11 0.00 0.00 179.97 178.87 3d84 h LYS 55 N 1.00 0.16 -0.71 0.20 1.57 -1.93 -2.55 116.57 114.32 3d84 h LYS 55 Ca 0.47 -0.07 0.12 0.00 -1.87 0.00 0.00 60.65 59.30 3d84 h LYS 55 Cb 0.42 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.64 3d84 h LYS 55 CO -0.23 0.52 0.29 1.15 -0.57 0.00 0.00 179.45 180.61 3d84 h THR 56 N -0.21 0.73 0.19 -0.16 2.02 -1.82 0.16 112.91 113.81 3d84 h THR 56 Ca 0.02 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.05 3d84 h THR 56 Cb 0.47 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3d84 h THR 56 CO 0.01 0.08 -0.23 -0.25 0.37 0.00 0.00 175.52 175.51 3d84 h TRP 57 N 0.46 -0.60 0.00 3.16 2.91 -1.14 -2.11 115.95 118.63 3d84 h TRP 57 Ca 0.37 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.40 3d84 h TRP 57 Cb 0.50 0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 3d84 h TRP 57 CO -0.16 -0.33 0.00 0.74 -1.03 0.00 0.00 178.44 177.66 3d84 h PHE 58 N -0.47 0.00 0.00 2.65 -1.00 -1.15 -2.12 116.94 114.86 3d84 h PHE 58 Ca 0.01 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 3d84 h PHE 58 Cb 0.45 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.01 3d84 h PHE 58 CO -0.18 0.00 -0.02 0.77 -1.61 0.00 0.00 178.31 177.27 3d84 h SER 59 N 0.00 0.00 -3.16 2.17 0.02 -0.43 -3.44 113.55 108.71 3d84 h SER 59 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 3d84 h SER 59 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3d84 h SER 59 CO 0.00 0.02 0.59 -0.63 -1.14 0.00 0.00 176.83 175.67 3d84 s ILE 60 N -3.47 4.00 0.23 3.27 1.01 -0.80 -4.95 121.20 120.49 3d84 s ILE 60 Ca 0.04 1.43 -0.30 0.00 0.00 0.00 0.00 60.65 61.81 3d84 s ILE 60 Cb 0.07 -3.92 -0.15 0.00 0.01 0.00 0.00 42.46 38.48 3d84 s ILE 60 CO 0.60 0.10 1.11 -2.65 0.00 0.00 0.00 174.94 174.10 3d84 n PRO 61 N 4.11 1.32 -0.21 2.79 -0.02 -1.26 -4.80 135.00 136.93 3d84 n PRO 61 Ca 0.09 0.47 0.11 0.00 -2.02 0.00 0.00 63.50 62.15 3d84 n PRO 61 Cb 0.46 -1.92 0.40 0.00 -0.02 0.00 0.00 33.50 32.42 3d84 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3d84 h GLU 62 N 2.79 0.63 0.00 -0.52 4.81 -1.92 0.46 114.58 120.82 3d84 h GLU 62 Ca -0.41 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3d84 h GLU 62 Cb 1.34 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3d84 h GLU 62 CO 0.66 0.42 0.00 1.57 -0.73 0.00 0.00 179.01 180.93 3d84 h LYS 63 N 0.65 0.00 -0.40 1.92 2.10 -2.01 -2.04 116.57 116.79 3d84 h LYS 63 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 3d84 h LYS 63 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 3d84 h LYS 63 CO -0.14 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.40 3d84 n ASN 64 N -2.72 3.07 -4.71 7.07 3.02 0.14 -4.99 115.26 116.14 3d84 n ASN 64 Ca -0.01 -1.99 -0.33 0.00 -0.03 0.00 0.00 54.58 52.22 3d84 n ASN 64 Cb 0.13 -0.27 -0.08 0.00 -0.61 0.00 0.00 39.78 38.95 3d84 n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3d84 s ARG 65 N -1.00 2.91 1.00 3.52 0.52 -0.77 -3.72 118.95 121.41 3d84 s ARG 65 Ca 0.27 -0.53 -0.12 0.00 -0.52 0.00 0.00 55.73 54.83 3d84 s ARG 65 Cb 0.14 -2.75 0.19 0.00 0.52 0.00 0.00 34.95 33.05 3d84 s ARG 65 CO 0.18 0.65 1.09 -1.25 0.02 0.00 0.00 175.30 175.99 3d84 s PRO 66 N -1.46 0.42 -0.22 3.54 0.04 -1.26 -4.99 135.00 131.07 3d84 s PRO 66 Ca 0.19 0.56 -0.29 0.00 0.04 0.00 0.00 61.00 61.50 3d84 s PRO 66 Cb -0.12 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 3d84 s PRO 66 CO 0.09 -2.75 1.96 -0.51 0.04 0.00 0.00 177.00 175.84 3d84 s LEU 67 N -6.48 3.66 0.49 -3.56 1.43 -1.24 -4.89 118.68 108.09 3d84 s LEU 67 Ca 0.65 1.78 -0.22 0.00 -1.03 0.00 0.00 54.13 55.31 3d84 s LEU 67 Cb -0.19 -3.52 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 3d84 s LEU 67 CO 0.58 -1.65 1.19 -1.59 0.23 0.00 0.00 176.35 175.11 3d84 s LYS 68 N 5.62 3.55 -0.88 1.70 0.00 -1.26 -2.76 119.74 125.71 3d84 s LYS 68 Ca 0.88 1.81 0.00 0.00 0.00 0.00 0.00 55.97 58.66 3d84 s LYS 68 Cb -0.30 -2.29 0.00 0.00 0.00 0.00 0.00 37.83 35.25 3d84 s LYS 68 CO 0.34 -0.73 0.00 -0.25 0.00 0.00 0.00 175.35 174.71 3d84 n ASP 69 N -0.77 -5.14 -4.27 0.03 8.00 -1.26 -4.98 116.55 108.16 3d84 n ASP 69 Ca 0.09 0.21 -0.22 0.00 0.71 0.00 0.00 54.79 55.57 3d84 n ASP 69 Cb 0.48 -3.37 -0.12 0.00 -0.02 0.00 0.00 41.12 38.09 3d84 n ASP 69 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3d84 s ARG 70 N -2.48 1.09 -0.12 -1.24 0.52 -1.11 -4.49 118.95 111.11 3d84 s ARG 70 Ca 0.00 -1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 53.75 3d84 s ARG 70 Cb 0.00 -1.26 -0.01 0.00 0.52 0.00 0.00 34.95 34.19 3d84 s ARG 70 CO 0.00 0.29 1.11 0.42 0.02 0.00 0.00 175.30 177.14 3d84 s ILE 71 N -1.34 4.52 -0.25 1.52 1.01 -0.48 -4.80 121.20 121.38 3d84 s ILE 71 Ca 0.06 1.82 -0.07 0.00 0.00 0.00 0.00 60.65 62.46 3d84 s ILE 71 Cb -0.09 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 3d84 s ILE 71 CO 0.04 -0.05 0.06 0.20 0.00 0.00 0.00 174.94 175.19 3d84 s ASN 72 N 1.37 5.03 -0.14 3.58 0.02 -1.26 -0.69 114.94 122.85 3d84 s ASN 72 Ca 0.51 -0.30 -0.03 0.00 -1.02 0.00 0.00 52.86 52.02 3d84 s ASN 72 Cb -0.20 -1.89 -0.03 0.00 0.02 0.00 0.00 41.25 39.15 3d84 s ASN 72 CO 0.16 -0.06 -0.04 -0.63 0.02 0.00 0.00 177.10 176.56 3d84 s ILE 73 N 1.58 3.87 -0.09 0.60 1.01 0.23 -0.97 121.20 127.43 3d84 s ILE 73 Ca 0.06 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3d84 s ILE 73 Cb -0.15 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 3d84 s ILE 73 CO 0.03 0.52 -0.14 -0.69 0.00 0.00 0.00 174.94 174.66 3d84 s VAL 74 N 0.09 3.06 -0.18 2.92 1.01 -0.65 -1.18 120.40 125.46 3d84 s VAL 74 Ca -0.01 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 3d84 s VAL 74 Cb -0.14 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 3d84 s VAL 74 CO 0.03 0.56 0.22 -0.76 0.00 0.00 0.00 175.10 175.15 3d84 s LEU 75 N -0.21 4.22 -0.22 3.92 1.43 0.22 -1.92 118.68 126.11 3d84 s LEU 75 Ca 0.01 0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 53.28 3d84 s LEU 75 Cb -0.13 -2.25 0.06 0.00 0.03 0.00 0.00 46.19 43.90 3d84 s LEU 75 CO 0.03 0.12 0.58 -0.55 0.23 0.00 0.00 176.35 176.77 3d84 s SER 76 N 0.49 -0.64 0.00 2.29 0.15 -0.72 -2.02 113.70 113.25 3d84 s SER 76 Ca 0.13 1.19 0.26 0.00 0.70 0.00 0.00 55.95 58.23 3d84 s SER 76 Cb -0.12 1.19 0.66 0.00 -1.71 0.00 0.00 66.02 66.03 3d84 s SER 76 CO 0.02 -0.21 1.51 0.54 1.20 0.00 0.00 173.24 176.30 3d84 n ARG 77 N 3.02 1.24 0.00 5.44 1.74 -1.26 -4.03 116.66 122.80 3d84 n ARG 77 Ca -0.15 -0.82 0.00 0.00 -0.77 0.00 0.00 57.85 56.11 3d84 n ARG 77 Cb 0.56 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3d84 n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3d84 n GLU 78 N -0.17 1.95 -1.79 5.56 1.02 -1.26 -5.03 120.64 120.93 3d84 n GLU 78 Ca 0.14 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.89 3d84 n GLU 78 Cb 0.39 -0.91 0.03 0.00 -0.02 0.00 0.00 31.44 30.93 3d84 n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3d84 s LEU 79 N -3.96 3.95 -0.08 -4.62 1.43 -1.26 -4.93 118.68 109.20 3d84 s LEU 79 Ca 0.00 2.82 0.16 0.00 -1.03 0.00 0.00 54.13 56.08 3d84 s LEU 79 Cb 0.00 -4.14 -0.24 0.00 0.03 0.00 0.00 46.19 41.84 3d84 s LEU 79 CO 0.00 -1.42 0.24 0.29 0.23 0.00 0.00 176.35 175.69 3d84 n LYS 80 N -0.70 0.90 -4.32 1.70 4.01 -1.26 -4.97 118.16 113.51 3d84 n LYS 80 Ca 0.08 -0.09 -0.19 0.00 -0.51 0.00 0.00 58.31 57.60 3d84 n LYS 80 Cb 0.44 -1.41 -0.13 0.00 -0.51 0.00 0.00 35.03 33.41 3d84 n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3d84 s GLU 81 N -2.85 0.87 0.35 1.97 -1.05 -1.26 -5.09 118.70 111.64 3d84 s GLU 81 Ca -0.07 -0.70 -0.27 0.00 -0.15 0.00 0.00 54.97 53.78 3d84 s GLU 81 Cb 0.08 -0.85 -0.12 0.00 -0.44 0.00 0.00 34.13 32.80 3d84 s GLU 81 CO 0.69 0.21 1.15 -2.30 0.95 0.00 0.00 175.26 175.96 3d84 n PRO 82 N 1.97 1.72 -1.49 -4.83 -0.02 -1.26 -4.92 135.00 126.18 3d84 n PRO 82 Ca -0.18 0.61 -0.39 0.00 -2.02 0.00 0.00 63.50 61.52 3d84 n PRO 82 Cb 0.55 -2.14 0.03 0.00 -0.02 0.00 0.00 33.50 31.92 3d84 n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3d84 n PRO 83 N 0.45 0.62 -1.66 0.52 -0.02 -1.26 -4.85 135.00 128.79 3d84 n PRO 83 Ca 0.07 0.24 -0.47 0.00 -2.02 0.00 0.00 63.50 61.32 3d84 n PRO 83 Cb 0.36 -1.72 -0.04 0.00 -0.02 0.00 0.00 33.50 32.08 3d84 n PRO 83 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3d84 n ARG 84 N 0.05 2.06 0.00 -0.52 3.00 -1.26 -1.25 116.66 118.74 3d84 n ARG 84 Ca 0.11 0.75 0.00 0.00 -0.00 0.00 0.00 57.85 58.71 3d84 n ARG 84 Cb 0.45 -2.52 0.00 0.00 0.00 0.00 0.00 32.46 30.40 3d84 n ARG 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3d84 n GLY 85 N 3.50 3.28 3.80 5.14 0.00 -1.26 -4.87 105.19 114.77 3d84 n GLY 85 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3d84 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d84 s ALA 86 N -2.73 3.30 0.03 4.61 0.00 -0.38 -4.33 121.76 122.26 3d84 s ALA 86 Ca 0.00 0.33 -0.16 0.00 0.00 0.00 0.00 51.96 52.13 3d84 s ALA 86 Cb 0.00 -2.99 -0.35 0.00 0.00 0.00 0.00 23.12 19.78 3d84 s ALA 86 CO 0.00 0.25 1.01 0.45 0.00 0.00 0.00 175.76 177.47 3d84 h HIS 87 N 3.20 1.00 -3.86 0.00 -0.00 -1.37 -3.45 115.15 110.66 3d84 h HIS 87 Ca -0.47 -0.71 -0.16 0.00 -0.00 0.00 0.00 60.37 59.02 3d84 h HIS 87 Cb 1.19 -0.05 -0.21 0.00 -0.00 0.00 0.00 27.41 28.35 3d84 h HIS 87 CO 0.63 1.55 -0.64 -0.06 -0.00 0.00 0.00 177.93 179.41 3d84 s PHE 88 N -2.66 0.21 -0.06 2.45 0.08 -0.98 -5.03 117.98 111.99 3d84 s PHE 88 Ca -0.09 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.55 3d84 s PHE 88 Cb 0.04 -0.16 -0.03 0.00 -0.57 0.00 0.00 43.02 42.31 3d84 s PHE 88 CO 0.95 -0.22 -0.13 -1.17 -0.10 0.00 0.00 175.22 174.54 3d84 s LEU 89 N -1.48 2.78 0.02 -0.37 0.20 -1.26 -1.63 118.68 116.94 3d84 s LEU 89 Ca -0.15 -0.19 0.03 0.00 0.69 0.00 0.00 54.13 54.51 3d84 s LEU 89 Cb -0.09 -1.58 -0.01 0.00 -0.43 0.00 0.00 46.19 44.08 3d84 s LEU 89 CO -0.01 0.33 -0.09 0.00 -0.29 0.00 0.00 176.35 176.29 3d84 s ALA 90 N -0.62 0.72 -1.73 5.97 0.00 -0.81 -4.96 121.76 120.34 3d84 s ALA 90 Ca 0.09 -0.56 0.28 0.00 0.00 0.00 0.00 51.96 51.77 3d84 s ALA 90 Cb -0.11 -0.10 1.09 0.00 0.00 0.00 0.00 23.12 23.99 3d84 s ALA 90 CO 0.01 0.12 1.77 0.36 0.00 0.00 0.00 175.76 178.02 3d84 n LYS 91 N 2.25 0.78 -3.52 0.00 2.85 -1.26 -1.76 118.16 117.51 3d84 n LYS 91 Ca -0.17 -0.34 -0.13 0.00 -1.05 0.00 0.00 58.31 56.61 3d84 n LYS 91 Cb 0.56 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.41 3d84 n LYS 91 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3d84 s SER 92 N -2.45 -0.49 0.18 -5.58 1.04 -1.26 -4.47 113.70 100.66 3d84 s SER 92 Ca 0.28 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.73 3d84 s SER 92 Cb 0.20 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.94 3d84 s SER 92 CO 0.48 -0.80 1.75 0.25 0.98 0.00 0.00 173.24 175.90 3d84 h LEU 93 N 2.50 0.85 -0.62 2.42 5.85 -1.99 -1.94 115.31 122.38 3d84 h LEU 93 Ca -0.32 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.36 3d84 h LEU 93 Cb 1.24 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.97 3d84 h LEU 93 CO 0.40 0.76 0.18 0.44 -0.34 0.00 0.00 178.44 179.89 3d84 h ASP 94 N 0.88 0.11 -0.35 1.25 5.19 -1.99 0.14 116.42 121.65 3d84 h ASP 94 Ca 0.21 0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.74 3d84 h ASP 94 Cb 0.16 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 3d84 h ASP 94 CO -0.02 0.07 0.19 0.44 -3.12 0.00 0.00 179.24 176.80 3d84 h ASP 95 N 0.33 0.31 -0.33 6.45 5.19 -1.88 -1.45 116.42 125.04 3d84 h ASP 95 Ca 0.32 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.79 3d84 h ASP 95 Cb 0.45 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.86 3d84 h ASP 95 CO -0.36 0.22 0.05 0.00 -3.12 0.00 0.00 179.24 176.03 3d84 h ALA 96 N 1.16 0.33 -0.43 3.45 0.00 -0.52 -0.97 119.26 122.29 3d84 h ALA 96 Ca 0.14 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3d84 h ALA 96 Cb 0.02 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3d84 h ALA 96 CO -0.07 -0.36 -0.15 -0.07 0.00 0.00 0.00 179.25 178.60 3d84 h LEU 97 N 0.16 0.81 -0.41 0.00 3.38 -0.52 -1.69 115.31 117.04 3d84 h LEU 97 Ca 0.15 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3d84 h LEU 97 Cb 0.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3d84 h LEU 97 CO -0.21 0.96 0.25 0.03 0.09 0.00 0.00 178.44 179.55 3d84 h ARG 98 N 0.72 0.56 -0.31 1.13 -0.00 -1.15 -2.95 114.38 112.38 3d84 h ARG 98 Ca 0.11 -0.05 0.06 0.00 -0.50 0.00 0.00 59.98 59.60 3d84 h ARG 98 Cb 0.65 -0.12 -0.05 0.00 0.00 0.00 0.00 29.97 30.45 3d84 h ARG 98 CO 0.05 0.42 -0.02 1.25 0.00 0.00 0.00 179.97 181.67 3d84 h LEU 99 N 0.54 -0.16 -1.98 3.04 5.85 -0.82 -2.73 115.31 119.06 3d84 h LEU 99 Ca 0.15 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3d84 h LEU 99 Cb 0.01 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 3d84 h LEU 99 CO -0.03 -0.05 -0.03 0.40 -0.34 0.00 0.00 178.44 178.40 3d84 h ILE 100 N 0.07 0.98 -0.18 4.05 2.04 -1.16 -0.20 117.51 123.12 3d84 h ILE 100 Ca 0.15 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3d84 h ILE 100 Cb 0.21 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3d84 h ILE 100 CO -0.27 0.03 0.00 1.21 0.00 0.00 0.00 178.15 179.12 3d84 n GLU 101 N -4.45 1.65 -2.41 2.37 4.07 -1.04 -4.69 120.64 116.14 3d84 n GLU 101 Ca -0.03 -0.98 -0.37 0.00 -0.06 0.00 0.00 57.16 55.71 3d84 n GLU 101 Cb 0.11 -1.35 -0.03 0.00 -0.06 0.00 0.00 31.44 30.12 3d84 n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3d84 s GLN 102 N -1.77 4.10 0.32 5.31 -1.52 -0.09 -4.94 119.66 121.08 3d84 s GLN 102 Ca 0.29 1.69 0.04 0.00 -1.95 0.00 0.00 55.36 55.42 3d84 s GLN 102 Cb 0.15 -2.62 0.64 0.00 -0.22 0.00 0.00 33.01 30.97 3d84 s GLN 102 CO 0.23 -0.24 1.91 -1.35 -0.25 0.00 0.00 175.29 175.59 3d84 h PRO 103 N 2.58 0.87 0.00 2.91 0.11 -1.90 -1.46 132.00 135.10 3d84 h PRO 103 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3d84 h PRO 103 Cb 1.23 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3d84 h PRO 103 CO 0.62 0.57 0.00 -0.85 -0.21 0.00 0.00 178.00 178.14 3d84 n GLU 104 N -4.51 0.00 0.00 1.05 0.00 -1.26 -1.91 120.64 114.01 3d84 n GLU 104 Ca 0.14 0.32 0.10 0.00 0.00 0.00 0.00 57.16 57.72 3d84 n GLU 104 Cb 0.27 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.16 3d84 n GLU 104 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3d84 n LEU 105 N -1.51 1.46 -0.13 -1.84 7.99 -0.55 -4.69 117.00 117.73 3d84 n LEU 105 Ca 0.02 -0.64 -0.09 0.00 -0.01 0.00 0.00 56.01 55.29 3d84 n LEU 105 Cb 0.12 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.42 3d84 n LEU 105 CO 0.10 0.30 0.92 0.00 -1.51 0.00 0.00 177.39 177.19 3d84 h ALA 106 N 3.21 0.49 0.00 -1.18 0.00 -1.35 0.03 119.26 120.46 3d84 h ALA 106 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3d84 h ALA 106 Cb 0.59 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3d84 h ALA 106 CO 0.00 0.09 0.00 0.45 0.00 0.00 0.00 179.25 179.79 3d84 n SER 107 N -4.67 0.30 -0.04 0.00 2.88 -1.26 -3.63 113.62 107.21 3d84 n SER 107 Ca -0.00 0.59 -0.02 0.00 -1.33 0.00 0.00 58.87 58.10 3d84 n SER 107 Cb 0.14 -0.65 -0.10 0.00 -0.75 0.00 0.00 64.21 62.85 3d84 n SER 107 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3d84 n LYS 108 N -1.85 1.38 -5.14 -1.46 4.76 -0.15 -4.56 118.16 111.15 3d84 n LYS 108 Ca 0.02 -0.05 -0.31 0.00 -2.87 0.00 0.00 58.31 55.11 3d84 n LYS 108 Cb 0.16 -1.33 -0.17 0.00 -1.84 0.00 0.00 35.03 31.85 3d84 n LYS 108 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3d84 s VAL 109 N -2.54 1.91 0.00 -0.18 1.01 -0.37 -1.29 120.40 118.95 3d84 s VAL 109 Ca -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.97 3d84 s VAL 109 Cb 0.06 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.79 3d84 s VAL 109 CO 0.54 0.53 0.00 -0.67 0.00 0.00 0.00 175.10 175.50 3d84 n ASP 110 N 3.33 0.00 -4.82 3.32 2.03 0.38 -4.55 116.55 116.24 3d84 n ASP 110 Ca -0.19 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.77 3d84 n ASP 110 Cb 0.53 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 3d84 n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3d84 s MET 111 N 0.73 4.21 -0.21 -0.67 -1.94 -1.26 0.47 119.30 120.63 3d84 s MET 111 Ca 0.00 0.85 -0.06 0.00 -1.71 0.00 0.00 55.69 54.77 3d84 s MET 111 Cb 0.00 -2.76 -0.03 0.00 2.01 0.00 0.00 34.83 34.05 3d84 s MET 111 CO 0.00 0.33 0.04 0.08 -0.01 0.00 0.00 175.02 175.46 3d84 s VAL 112 N -1.64 4.32 -0.15 -6.03 1.01 -1.26 -0.64 120.40 116.01 3d84 s VAL 112 Ca 0.46 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.26 3d84 s VAL 112 Cb -0.15 -2.97 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 3d84 s VAL 112 CO 0.20 0.41 -0.17 0.26 0.00 0.00 0.00 175.10 175.81 3d84 s TRP 113 N 0.97 2.75 -0.26 5.22 0.52 0.68 -1.19 118.94 127.63 3d84 s TRP 113 Ca 0.03 -1.05 -0.18 0.00 0.02 0.00 0.00 56.10 54.92 3d84 s TRP 113 Cb -0.14 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.29 3d84 s TRP 113 CO 0.02 -0.46 0.51 0.42 0.02 0.00 0.00 176.95 177.46 3d84 s ILE 114 N 0.73 5.07 -0.61 2.03 -1.09 0.10 -1.02 121.20 126.42 3d84 s ILE 114 Ca -0.07 0.86 0.07 0.00 -2.23 0.00 0.00 60.65 59.28 3d84 s ILE 114 Cb -0.16 -3.83 0.19 0.00 -1.58 0.00 0.00 42.46 37.08 3d84 s ILE 114 CO 0.01 0.08 1.14 1.33 -1.23 0.00 0.00 174.94 176.27 3d84 n VAL 115 N 5.16 0.95 0.00 2.92 0.24 -0.58 -1.72 118.33 125.31 3d84 n VAL 115 Ca -0.04 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 3d84 n VAL 115 Cb 0.50 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 3d84 n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d84 n GLY 116 N 0.16 0.37 0.37 7.63 0.00 -1.26 -4.97 105.19 107.49 3d84 n GLY 116 Ca 0.07 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.86 3d84 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d84 n GLY 117 N -0.03 -1.57 0.23 -0.02 0.00 -1.26 -0.82 105.19 101.73 3d84 n GLY 117 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.11 3d84 n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3d84 h SER 118 N 0.00 -0.53 1.40 1.61 0.02 -1.98 -0.44 113.55 113.63 3d84 h SER 118 Ca 0.00 0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 3d84 h SER 118 Cb 0.00 0.36 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 3d84 h SER 118 CO 0.00 -0.19 -0.15 0.77 -1.14 0.00 0.00 176.83 176.12 3d84 h SER 119 N 0.01 0.00 -0.14 3.07 4.64 -1.95 -1.38 113.55 117.81 3d84 h SER 119 Ca 0.29 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.54 3d84 h SER 119 Cb 0.45 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3d84 h SER 119 CO -0.61 0.15 -0.20 0.58 -0.87 0.00 0.00 176.83 175.88 3d84 h VAL 120 N 0.00 1.36 -0.26 0.95 2.07 -1.68 -1.98 116.25 116.71 3d84 h VAL 120 Ca -0.00 -1.43 0.05 0.00 0.82 0.00 0.00 66.70 66.14 3d84 h VAL 120 Cb 0.89 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 3d84 h VAL 120 CO 0.02 0.42 -0.01 1.88 0.02 0.00 0.00 177.57 179.90 3d84 h TYR 121 N -0.02 -0.03 -0.28 1.57 0.99 -0.98 -1.24 116.97 116.99 3d84 h TYR 121 Ca 0.01 0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.83 3d84 h TYR 121 Cb 0.77 0.05 -0.08 0.00 1.00 0.00 0.00 36.73 38.47 3d84 h TYR 121 CO 0.09 -0.05 -0.29 1.96 -0.00 0.00 0.00 178.16 179.87 3d84 h GLN 122 N 0.07 -0.28 -0.44 4.88 4.20 -1.21 -0.41 115.11 121.92 3d84 h GLN 122 Ca 0.13 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3d84 h GLN 122 Cb 0.17 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3d84 h GLN 122 CO -0.22 -0.18 0.15 0.93 -0.67 0.00 0.00 178.83 178.84 3d84 h GLU 123 N -0.29 0.68 -0.53 1.46 5.08 -1.16 -2.13 114.58 117.70 3d84 h GLU 123 Ca 0.14 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3d84 h GLU 123 Cb 0.51 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 3d84 h GLU 123 CO -0.44 0.64 0.22 0.00 -1.00 0.00 0.00 179.01 178.44 3d84 h ALA 124 N 1.00 0.67 0.00 3.43 0.00 -0.91 -2.31 119.26 121.14 3d84 h ALA 124 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3d84 h ALA 124 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3d84 h ALA 124 CO -0.01 -0.16 0.00 0.52 0.00 0.00 0.00 179.25 179.61 3d84 h MET 125 N 0.43 0.00 0.00 0.00 2.86 -0.83 -2.12 114.93 115.27 3d84 h MET 125 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3d84 h MET 125 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3d84 h MET 125 CO -0.22 0.00 0.00 0.09 1.06 0.00 0.00 176.91 177.84 3d84 n ASN 126 N -2.90 0.43 -4.77 1.22 3.02 -0.82 -4.91 115.26 106.53 3d84 n ASN 126 Ca 0.01 0.58 -0.39 0.00 -0.03 0.00 0.00 54.58 54.75 3d84 n ASN 126 Cb 0.30 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 3d84 n ASN 126 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3d84 s GLN 127 N -3.15 4.32 0.76 3.52 -1.52 -0.80 -5.03 119.66 117.76 3d84 s GLN 127 Ca 0.07 1.84 -0.11 0.00 -1.95 0.00 0.00 55.36 55.21 3d84 s GLN 127 Cb 0.11 -2.90 0.05 0.00 -0.22 0.00 0.00 33.01 30.05 3d84 s GLN 127 CO 0.41 -0.09 1.10 -1.25 -0.25 0.00 0.00 175.29 175.22 3d84 s PRO 128 N -1.94 2.39 0.38 2.91 0.04 -1.26 -4.91 135.00 132.61 3d84 s PRO 128 Ca 0.51 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.10 3d84 s PRO 128 Cb -0.31 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3d84 s PRO 128 CO 0.40 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.47 3d84 n GLY 129 N -2.51 -2.30 3.62 0.56 0.00 -1.21 -4.91 105.19 98.44 3d84 n GLY 129 Ca 0.07 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 3d84 n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3d84 s HIS 130 N -0.58 2.03 -0.03 1.61 5.65 -1.26 -4.43 115.29 118.28 3d84 s HIS 130 Ca 0.00 0.57 0.07 0.00 0.25 0.00 0.00 55.06 55.95 3d84 s HIS 130 Cb 0.00 -4.06 -0.02 0.00 -1.18 0.00 0.00 32.58 27.32 3d84 s HIS 130 CO 0.00 -2.89 -0.24 -0.51 -0.65 0.00 0.00 174.74 170.46 3d84 s LEU 131 N 5.72 2.19 0.01 8.88 1.02 0.53 -1.60 118.68 135.43 3d84 s LEU 131 Ca 0.73 -0.42 0.08 0.00 0.02 0.00 0.00 54.13 54.54 3d84 s LEU 131 Cb -0.23 -1.39 -0.02 0.00 0.02 0.00 0.00 46.19 44.57 3d84 s LEU 131 CO 0.31 0.31 -0.24 -0.13 0.02 0.00 0.00 176.35 176.62 3d84 s ARG 132 N -0.55 1.78 -0.28 1.70 0.52 -0.22 -0.47 118.95 121.43 3d84 s ARG 132 Ca 0.08 -0.94 -0.03 0.00 -0.52 0.00 0.00 55.73 54.32 3d84 s ARG 132 Cb -0.11 -1.82 0.03 0.00 0.52 0.00 0.00 34.95 33.57 3d84 s ARG 132 CO 0.00 0.49 -0.02 -0.51 0.02 0.00 0.00 175.30 175.28 3d84 s LEU 133 N -0.88 3.56 -0.53 2.53 1.43 0.11 -0.70 118.68 124.20 3d84 s LEU 133 Ca 0.10 -1.00 -0.17 0.00 -1.03 0.00 0.00 54.13 52.03 3d84 s LEU 133 Cb -0.09 -1.72 0.10 0.00 0.03 0.00 0.00 46.19 44.51 3d84 s LEU 133 CO 0.00 -0.19 0.54 -0.36 0.23 0.00 0.00 176.35 176.58 3d84 s PHE 134 N 1.33 3.16 -0.23 0.29 0.40 0.17 -0.90 117.98 122.19 3d84 s PHE 134 Ca -0.01 -1.00 -0.03 0.00 -0.60 0.00 0.00 56.93 55.28 3d84 s PHE 134 Cb -0.18 -3.64 0.00 0.00 0.51 0.00 0.00 43.02 39.71 3d84 s PHE 134 CO -0.02 -1.03 -0.05 0.08 0.70 0.00 0.00 175.22 174.90 3d84 s VAL 135 N 2.02 3.21 -0.35 -0.44 1.01 0.22 -1.37 120.40 124.70 3d84 s VAL 135 Ca 0.07 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 3d84 s VAL 135 Cb -0.25 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.62 3d84 s VAL 135 CO 0.06 0.35 0.69 -0.89 0.00 0.00 0.00 175.10 175.31 3d84 s THR 136 N 1.43 4.84 -0.62 3.92 2.01 -0.13 -0.37 115.64 126.73 3d84 s THR 136 Ca 0.04 0.73 -0.24 0.00 0.31 0.00 0.00 61.69 62.53 3d84 s THR 136 Cb -0.15 -4.12 0.05 0.00 0.01 0.00 0.00 72.50 68.30 3d84 s THR 136 CO -0.04 -0.34 1.00 -0.13 -0.69 0.00 0.00 174.62 174.42 3d84 s ARG 137 N 2.84 3.23 -0.47 4.92 1.81 0.25 -0.82 118.95 130.71 3d84 s ARG 137 Ca 0.27 -0.48 -0.28 0.00 -1.72 0.00 0.00 55.73 53.52 3d84 s ARG 137 Cb -0.14 -4.14 0.03 0.00 -0.45 0.00 0.00 34.95 30.25 3d84 s ARG 137 CO 0.15 -1.70 1.07 0.42 -0.68 0.00 0.00 175.30 174.56 3d84 s ILE 138 N 4.23 4.30 -0.69 1.52 -1.09 -0.23 -1.93 121.20 127.31 3d84 s ILE 138 Ca 0.28 1.09 -0.07 0.00 -2.23 0.00 0.00 60.65 59.72 3d84 s ILE 138 Cb -0.14 -4.54 -0.11 0.00 -1.58 0.00 0.00 42.46 36.09 3d84 s ILE 138 CO 0.15 -0.94 3.13 0.23 -1.23 0.00 0.00 174.94 176.29 3d84 n MET 139 N 7.59 2.86 -3.52 2.79 2.81 -0.02 -2.42 117.12 127.21 3d84 n MET 139 Ca 0.10 -1.89 -0.17 0.00 -1.81 0.00 0.00 57.70 53.93 3d84 n MET 139 Cb 0.49 -2.32 -0.06 0.00 -0.71 0.00 0.00 33.22 30.62 3d84 n MET 139 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3d84 s GLN 140 N 0.52 1.03 0.13 0.03 0.74 -1.26 -4.78 119.66 116.08 3d84 s GLN 140 Ca 0.65 0.24 -0.24 0.00 0.05 0.00 0.00 55.36 56.05 3d84 s GLN 140 Cb 0.28 0.49 -0.07 0.00 1.10 0.00 0.00 33.01 34.80 3d84 s GLN 140 CO -0.07 -0.32 0.75 -1.21 -0.55 0.00 0.00 175.29 173.88 3d84 s GLU 141 N -1.24 4.51 -0.00 1.67 2.02 -1.26 -1.31 118.70 123.08 3d84 s GLU 141 Ca -0.10 1.08 0.01 0.00 0.02 0.00 0.00 54.97 55.98 3d84 s GLU 141 Cb -0.00 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.95 3d84 s GLU 141 CO 0.09 0.52 -0.02 -0.06 0.02 0.00 0.00 175.26 175.81 3d84 s PHE 142 N -0.92 0.21 -0.12 1.61 0.08 -1.26 -4.99 117.98 112.59 3d84 s PHE 142 Ca 0.35 -0.03 -0.36 0.00 0.12 0.00 0.00 56.93 57.01 3d84 s PHE 142 Cb -0.22 -0.15 -0.13 0.00 -0.57 0.00 0.00 43.02 41.94 3d84 s PHE 142 CO 0.25 -0.02 1.80 -1.91 -0.10 0.00 0.00 175.22 175.24 3d84 n GLU 143 N 3.14 1.82 -4.20 0.44 2.13 -1.26 -4.83 120.64 117.87 3d84 n GLU 143 Ca -0.14 0.66 -0.16 0.00 0.66 0.00 0.00 57.16 58.18 3d84 n GLU 143 Cb 0.58 -2.45 -0.13 0.00 0.27 0.00 0.00 31.44 29.71 3d84 n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3d84 s SER 144 N 3.54 0.93 -0.16 4.31 0.01 -1.26 -4.73 113.70 116.34 3d84 s SER 144 Ca 0.93 -0.29 -0.09 0.00 1.31 0.00 0.00 55.95 57.81 3d84 s SER 144 Cb -0.82 -0.05 -0.23 0.00 0.21 0.00 0.00 66.02 65.12 3d84 s SER 144 CO 0.55 -0.01 0.23 0.47 0.41 0.00 0.00 173.24 174.89 3d84 n ASP 145 N 2.36 2.05 -4.03 2.44 8.00 0.29 -4.97 116.55 122.69 3d84 n ASP 145 Ca -0.16 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.43 3d84 n ASP 145 Cb 0.56 -0.83 -0.12 0.00 -0.02 0.00 0.00 41.12 40.71 3d84 n ASP 145 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3d84 s THR 146 N -2.51 0.45 0.04 -3.53 -1.32 -1.05 -5.00 115.64 102.72 3d84 s THR 146 Ca -0.26 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 3d84 s THR 146 Cb 0.07 -0.51 -0.03 0.00 -1.51 0.00 0.00 72.50 70.52 3d84 s THR 146 CO 0.70 -0.34 -0.04 -0.36 -2.21 0.00 0.00 174.62 172.37 3d84 s PHE 147 N -1.23 0.47 0.11 9.09 0.40 -1.26 -1.14 117.98 124.42 3d84 s PHE 147 Ca -0.09 -0.68 -0.25 0.00 -0.60 0.00 0.00 56.93 55.31 3d84 s PHE 147 Cb -0.09 -0.31 -0.07 0.00 0.51 0.00 0.00 43.02 43.06 3d84 s PHE 147 CO 0.00 -0.21 0.76 0.12 0.70 0.00 0.00 175.22 176.60 3d84 s PHE 148 N -2.20 3.84 0.63 0.36 5.36 -0.29 -4.70 117.98 120.98 3d84 s PHE 148 Ca -0.07 1.55 -0.18 0.00 -0.96 0.00 0.00 56.93 57.28 3d84 s PHE 148 Cb -0.04 -2.77 -0.03 0.00 -0.34 0.00 0.00 43.02 39.83 3d84 s PHE 148 CO -0.03 0.43 1.04 -2.30 -1.46 0.00 0.00 175.22 172.90 3d84 n PRO 149 N 2.06 0.88 -1.61 10.12 -0.02 -1.26 -4.93 135.00 140.24 3d84 n PRO 149 Ca -0.05 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 3d84 n PRO 149 Cb 0.49 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 3d84 n PRO 149 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3d84 n GLU 150 N -1.38 1.49 -3.34 -0.52 0.28 -1.26 -4.96 120.64 110.95 3d84 n GLU 150 Ca 0.14 0.53 -0.44 0.00 -0.16 0.00 0.00 57.16 57.23 3d84 n GLU 150 Cb 0.48 -1.98 -0.07 0.00 1.43 0.00 0.00 31.44 31.30 3d84 n GLU 150 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3d84 s ILE 151 N -1.13 5.16 -0.43 3.84 1.01 -1.26 -5.04 121.20 123.35 3d84 s ILE 151 Ca 0.59 -0.93 -0.28 0.00 0.00 0.00 0.00 60.65 60.03 3d84 s ILE 151 Cb -0.64 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 37.68 3d84 s ILE 151 CO 0.60 -0.62 1.49 -0.62 0.00 0.00 0.00 174.94 175.79 3d84 s ASP 152 N 2.59 6.20 0.13 3.58 3.68 -1.26 -4.88 116.67 126.71 3d84 s ASP 152 Ca 0.06 0.81 0.17 0.00 2.13 0.00 0.00 52.55 55.72 3d84 s ASP 152 Cb -0.23 -2.54 0.73 0.00 -1.45 0.00 0.00 42.92 39.43 3d84 s ASP 152 CO 0.08 -1.55 1.52 0.18 0.13 0.00 0.00 175.17 175.53 3d84 n LEU 153 N 9.29 0.31 0.17 -1.34 4.77 -1.26 -1.19 117.00 127.74 3d84 n LEU 153 Ca 0.17 0.59 0.04 0.00 -0.03 0.00 0.00 56.01 56.78 3d84 n LEU 153 Cb 0.48 -0.56 0.25 0.00 -2.33 0.00 0.00 43.42 41.25 3d84 n LEU 153 CO 0.70 -0.47 0.61 1.23 -1.33 0.00 0.00 177.39 178.13 3d84 h GLY 154 N 1.80 0.00 0.13 -0.72 0.00 -2.04 -3.37 103.07 98.88 3d84 h GLY 154 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 3d84 h GLY 154 CO 0.00 0.00 -2.25 1.17 0.00 0.00 0.00 176.54 175.46 3d84 n LYS 155 N -3.46 0.65 -3.68 4.80 4.81 -0.57 -4.93 118.16 115.77 3d84 n LYS 155 Ca 0.00 0.26 -0.37 0.00 -0.87 0.00 0.00 58.31 57.33 3d84 n LYS 155 Cb 0.58 -1.58 -0.11 0.00 0.02 0.00 0.00 35.03 33.93 3d84 n LYS 155 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3d84 s TYR 156 N -2.51 3.19 0.01 5.64 1.51 -0.34 -4.40 117.35 120.46 3d84 s TYR 156 Ca -0.33 -0.05 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 3d84 s TYR 156 Cb 0.10 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 3d84 s TYR 156 CO 0.61 -0.18 0.93 -1.59 -1.11 0.00 0.00 175.55 174.21 3d84 s LYS 157 N 1.54 4.57 -0.38 -0.62 -2.85 -0.24 -4.52 119.74 117.25 3d84 s LYS 157 Ca 0.07 1.34 -0.29 0.00 -1.00 0.00 0.00 55.97 56.09 3d84 s LYS 157 Cb -0.15 -3.44 0.01 0.00 -2.06 0.00 0.00 37.83 32.19 3d84 s LYS 157 CO 0.07 0.03 1.36 -1.17 0.10 0.00 0.00 175.35 175.74 3d84 s LEU 158 N 0.74 3.69 0.18 2.77 1.98 -1.26 -0.53 118.68 126.26 3d84 s LEU 158 Ca 0.49 0.94 -0.30 0.00 -2.89 0.00 0.00 54.13 52.37 3d84 s LEU 158 Cb -0.21 -3.54 -0.08 0.00 0.66 0.00 0.00 46.19 43.02 3d84 s LEU 158 CO 0.27 -1.30 1.22 -0.76 -1.89 0.00 0.00 176.35 173.89 3d84 s LEU 159 N 5.00 4.44 0.36 -0.68 1.43 0.03 -4.92 118.68 124.34 3d84 s LEU 159 Ca 0.59 2.26 0.09 0.00 -1.03 0.00 0.00 54.13 56.04 3d84 s LEU 159 Cb -0.14 -3.61 0.69 0.00 0.03 0.00 0.00 46.19 43.16 3d84 s LEU 159 CO 0.29 -0.41 1.85 1.55 0.23 0.00 0.00 176.35 179.86 3d84 h PRO 160 N 5.32 0.19 -3.69 1.29 0.13 -1.95 -3.43 132.00 129.86 3d84 h PRO 160 Ca -0.44 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 3d84 h PRO 160 Cb 1.21 -0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 3d84 h PRO 160 CO 0.75 0.43 -0.20 -1.83 -0.23 0.00 0.00 178.00 176.92 3d84 s GLU 161 N -4.49 1.23 -0.12 0.86 -1.05 -1.26 -5.05 118.70 108.83 3d84 s GLU 161 Ca -0.05 -1.07 -0.11 0.00 -0.15 0.00 0.00 54.97 53.59 3d84 s GLU 161 Cb 0.15 0.43 0.03 0.00 -0.44 0.00 0.00 34.13 34.29 3d84 s GLU 161 CO 0.74 -0.48 0.32 -0.47 0.95 0.00 0.00 175.26 176.32 3d84 s TYR 162 N -3.94 -0.35 0.19 4.83 5.04 -1.26 -5.05 117.35 116.83 3d84 s TYR 162 Ca 0.14 0.84 -0.33 0.00 -2.44 0.00 0.00 57.07 55.29 3d84 s TYR 162 Cb 0.02 0.12 -0.13 0.00 0.35 0.00 0.00 41.96 42.31 3d84 s TYR 162 CO -0.01 -0.17 1.55 -2.30 -1.34 0.00 0.00 175.55 173.28 3d84 n PRO 163 N 2.88 2.22 -1.00 4.97 -0.02 -1.26 -1.71 135.00 141.08 3d84 n PRO 163 Ca -0.13 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3d84 n PRO 163 Cb 0.58 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3d84 n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d84 n GLY 164 N 3.07 0.86 3.37 -1.23 0.00 -1.26 -5.01 105.19 104.99 3d84 n GLY 164 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3d84 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d84 s VAL 165 N -3.43 3.66 0.07 1.61 1.01 -0.70 -5.10 120.40 117.52 3d84 s VAL 165 Ca 0.00 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 3d84 s VAL 165 Cb 0.00 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 3d84 s VAL 165 CO 0.00 0.42 0.66 -0.76 0.00 0.00 0.00 175.10 175.42 3d84 s LEU 166 N 1.31 4.51 -0.00 3.92 1.02 -1.26 -4.56 118.68 123.61 3d84 s LEU 166 Ca 0.04 1.37 0.22 0.00 0.02 0.00 0.00 54.13 55.77 3d84 s LEU 166 Cb -0.14 -3.06 -0.20 0.00 0.02 0.00 0.00 46.19 42.81 3d84 s LEU 166 CO -0.00 0.17 0.85 -1.54 0.02 0.00 0.00 176.35 175.85 3d84 n SER 167 N 2.11 0.75 -4.74 2.29 3.41 -1.26 -4.44 113.62 111.75 3d84 n SER 167 Ca -0.07 -0.71 -0.37 0.00 -0.26 0.00 0.00 58.87 57.45 3d84 n SER 167 Cb 0.50 1.15 0.06 0.00 -0.26 0.00 0.00 64.21 65.66 3d84 n SER 167 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3d84 s GLU 168 N -3.12 2.79 0.31 4.33 8.01 -1.26 -4.74 118.70 125.02 3d84 s GLU 168 Ca 0.05 2.09 -0.29 0.00 0.01 0.00 0.00 54.97 56.82 3d84 s GLU 168 Cb 0.16 -1.98 -0.11 0.00 -4.31 0.00 0.00 34.13 27.89 3d84 s GLU 168 CO 0.87 -1.42 1.45 0.08 0.01 0.00 0.00 175.26 176.25 3d84 s VAL 169 N -1.39 2.41 0.32 2.63 1.01 -1.26 -4.69 120.40 119.43 3d84 s VAL 169 Ca 0.79 0.38 0.09 0.00 0.00 0.00 0.00 61.98 63.23 3d84 s VAL 169 Cb -0.38 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3d84 s VAL 169 CO 0.41 0.07 0.10 -1.10 0.00 0.00 0.00 175.10 174.59 3d84 s GLN 170 N -1.11 2.36 -0.10 2.72 -1.52 0.10 -4.97 119.66 117.14 3d84 s GLN 170 Ca 0.56 -1.51 -0.12 0.00 -1.95 0.00 0.00 55.36 52.34 3d84 s GLN 170 Cb -0.44 -2.17 0.03 0.00 -0.22 0.00 0.00 33.01 30.21 3d84 s GLN 170 CO 0.51 0.18 0.31 -2.00 -0.25 0.00 0.00 175.29 174.04 3d84 s GLU 171 N -3.80 0.43 -0.08 2.91 2.12 -1.26 -1.04 118.70 117.98 3d84 s GLU 171 Ca 0.36 0.31 -0.04 0.00 0.36 0.00 0.00 54.97 55.96 3d84 s GLU 171 Cb -0.03 0.20 0.04 0.00 0.26 0.00 0.00 34.13 34.60 3d84 s GLU 171 CO 0.22 -0.07 0.18 -2.00 -0.54 0.00 0.00 175.26 173.05 3d84 s GLU 172 N -0.13 0.12 -1.46 4.30 2.12 -0.47 -4.89 118.70 118.29 3d84 s GLU 172 Ca -0.03 0.47 -0.09 0.00 0.36 0.00 0.00 54.97 55.67 3d84 s GLU 172 Cb -0.03 -0.17 0.06 0.00 0.26 0.00 0.00 34.13 34.25 3d84 s GLU 172 CO 0.01 -0.19 0.91 1.63 -0.54 0.00 0.00 175.26 177.08 3d84 n LYS 173 N 4.44 -5.47 -0.98 4.30 5.02 -1.26 -0.96 118.16 123.26 3d84 n LYS 173 Ca -0.22 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 3d84 n LYS 173 Cb 0.52 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 3d84 n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d84 n GLY 174 N -1.68 0.28 3.40 0.72 0.00 -1.26 -4.99 105.19 101.65 3d84 n GLY 174 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3d84 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d84 s ILE 175 N -1.61 4.17 0.21 -0.61 1.01 -0.13 -5.10 121.20 119.13 3d84 s ILE 175 Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 60.65 60.02 3d84 s ILE 175 Cb 0.00 -3.06 -0.08 0.00 0.01 0.00 0.00 42.46 39.33 3d84 s ILE 175 CO 0.00 0.19 0.69 -0.54 0.00 0.00 0.00 174.94 175.28 3d84 s LYS 176 N 1.56 4.19 0.22 2.79 1.02 -1.26 -1.37 119.74 126.88 3d84 s LYS 176 Ca 0.05 0.78 -0.20 0.00 0.02 0.00 0.00 55.97 56.61 3d84 s LYS 176 Cb -0.16 -2.88 0.04 0.00 -0.52 0.00 0.00 37.83 34.30 3d84 s LYS 176 CO 0.03 0.41 0.61 1.52 -0.92 0.00 0.00 175.35 177.00 3d84 s TYR 177 N -1.52 -0.25 0.05 3.18 -0.85 -0.20 -0.84 117.35 116.92 3d84 s TYR 177 Ca 0.42 -0.09 -0.17 0.00 -0.52 0.00 0.00 57.07 56.70 3d84 s TYR 177 Cb -0.16 0.54 0.03 0.00 0.38 0.00 0.00 41.96 42.76 3d84 s TYR 177 CO 0.20 -1.01 0.40 -1.59 -1.52 0.00 0.00 175.55 172.04 3d84 s LYS 178 N -3.86 0.92 -0.20 -3.49 -2.85 -0.81 0.00 119.74 109.45 3d84 s LYS 178 Ca 0.08 -0.41 -0.10 0.00 -1.00 0.00 0.00 55.97 54.54 3d84 s LYS 178 Cb -0.03 0.41 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 3d84 s LYS 178 CO -0.02 -0.32 0.14 -0.06 0.10 0.00 0.00 175.35 175.19 3d84 s PHE 179 N -2.61 3.40 0.11 1.78 2.99 -1.26 -0.58 117.98 121.82 3d84 s PHE 179 Ca -0.04 0.33 0.07 0.00 0.00 0.00 0.00 56.93 57.29 3d84 s PHE 179 Cb -0.01 -2.18 -0.04 0.00 0.00 0.00 0.00 43.02 40.80 3d84 s PHE 179 CO -0.03 0.27 -0.17 -1.21 -0.00 0.00 0.00 175.22 174.07 3d84 s GLU 180 N 0.43 1.07 -0.09 0.44 2.02 0.50 -4.78 118.70 118.30 3d84 s GLU 180 Ca 0.08 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 53.88 3d84 s GLU 180 Cb -0.11 -1.15 0.02 0.00 0.10 0.00 0.00 34.13 32.99 3d84 s GLU 180 CO -0.01 0.25 -0.08 0.08 0.02 0.00 0.00 175.26 175.52 3d84 s VAL 181 N -1.62 0.96 0.16 2.63 1.01 -1.26 -0.61 120.40 121.66 3d84 s VAL 181 Ca 0.07 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.84 3d84 s VAL 181 Cb -0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3d84 s VAL 181 CO 0.04 0.34 0.01 -0.31 0.00 0.00 0.00 175.10 175.19 3d84 s TYR 182 N 1.43 2.90 -0.05 5.22 1.51 -0.08 -0.79 117.35 127.49 3d84 s TYR 182 Ca -0.01 -0.10 -0.02 0.00 -1.01 0.00 0.00 57.07 55.92 3d84 s TYR 182 Cb -0.13 -1.42 0.03 0.00 -0.11 0.00 0.00 41.96 40.32 3d84 s TYR 182 CO -0.05 0.51 0.11 -2.00 -1.11 0.00 0.00 175.55 173.02 3d84 s GLU 183 N -2.83 0.07 -0.20 -0.62 2.12 0.31 -0.71 118.70 116.84 3d84 s GLU 183 Ca 0.27 0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.89 3d84 s GLU 183 Cb -0.10 -0.14 0.05 0.00 0.26 0.00 0.00 34.13 34.20 3d84 s GLU 183 CO 0.19 -0.13 -0.08 0.21 -0.54 0.00 0.00 175.26 174.91 3d84 s LYS 184 N 0.90 1.78 0.83 4.30 2.20 0.38 -1.08 119.74 129.04 3d84 s LYS 184 Ca -0.07 -0.82 -0.11 0.00 -0.36 0.00 0.00 55.97 54.60 3d84 s LYS 184 Cb -0.09 -2.39 0.11 0.00 -1.51 0.00 0.00 37.83 33.95 3d84 s LYS 184 CO -0.04 -0.48 1.18 0.15 -0.36 0.00 0.00 175.35 175.79 3d84 s LYS 185 N 1.44 1.63 0.00 4.03 -0.14 -1.26 -0.34 119.74 125.10 3d84 s LYS 185 Ca -0.02 -0.17 0.00 0.00 -1.36 0.00 0.00 55.97 54.42 3d84 s LYS 185 Cb -0.17 -1.99 0.00 0.00 -1.68 0.00 0.00 37.83 34.00 3d84 s LYS 185 CO -0.07 -1.74 0.00 -3.47 -0.76 0.00 0.00 175.35 169.31