#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm n GLN 12 N 0.00 0.47 -4.06 2.98 6.02 -1.26 -5.10 117.38 116.43 3abm n GLN 12 Ca 0.00 0.19 -0.12 0.00 -0.01 0.00 0.00 57.00 57.05 3abm n GLN 12 Cb 0.00 -1.32 -0.05 0.00 1.02 0.00 0.00 30.24 29.89 3abm n GLN 12 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3abm s THR 13 N -2.79 0.00 0.15 5.09 -1.32 -1.26 -5.12 115.64 110.39 3abm s THR 13 Ca -0.26 -1.56 -0.31 0.00 -1.21 0.00 0.00 61.69 58.35 3abm s THR 13 Cb 0.04 -2.48 -0.10 0.00 -1.51 0.00 0.00 72.50 68.45 3abm s THR 13 CO 0.38 0.00 1.68 0.00 -2.21 0.00 0.00 174.62 174.47 3abm s ALA 14 N -3.49 3.79 0.75 11.08 0.00 -1.26 -4.96 121.76 127.67 3abm s ALA 14 Ca 0.28 1.41 -0.11 0.00 0.00 0.00 0.00 51.96 53.54 3abm s ALA 14 Cb 0.00 -3.69 0.04 0.00 0.00 0.00 0.00 23.12 19.48 3abm s ALA 14 CO 0.15 -0.98 1.08 -1.25 0.00 0.00 0.00 175.76 174.76 3abm s PRO 15 N 1.82 2.48 0.18 0.00 0.04 -1.26 -4.97 135.00 133.30 3abm s PRO 15 Ca 0.74 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 3abm s PRO 15 Cb -0.45 -1.95 -0.16 0.00 0.04 0.00 0.00 34.50 31.98 3abm s PRO 15 CO 0.33 -1.39 0.97 0.34 0.04 0.00 0.00 177.00 177.28 3abm n PHE 16 N -3.31 0.79 -3.87 0.56 -0.00 -1.26 -4.98 117.46 105.39 3abm n PHE 16 Ca 0.07 0.80 -0.27 0.00 -0.00 0.00 0.00 57.45 58.05 3abm n PHE 16 Cb 0.55 -2.18 -0.17 0.00 -0.00 0.00 0.00 39.48 37.68 3abm n PHE 16 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3abm s ASP 17 N -0.36 2.47 0.57 -2.13 -1.08 -1.26 -5.02 116.67 109.87 3abm s ASP 17 Ca 0.70 -0.49 0.34 0.00 -0.52 0.00 0.00 52.55 52.58 3abm s ASP 17 Cb -0.89 -0.81 1.74 0.00 -1.46 0.00 0.00 42.92 41.51 3abm s ASP 17 CO 0.55 -0.17 2.15 0.77 0.52 0.00 0.00 175.17 178.99 3abm h SER 18 N 8.17 0.00 0.30 -0.34 4.64 -2.00 -0.61 113.55 123.71 3abm h SER 18 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3abm h SER 18 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3abm h SER 18 CO 0.38 0.05 0.00 0.03 -0.87 0.00 0.00 176.83 176.42 3abm h ARG 19 N 0.00 0.00 -1.55 4.77 3.08 -2.02 -3.35 114.38 115.30 3abm h ARG 19 Ca -0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 3abm h ARG 19 Cb 0.25 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 29.96 3abm h ARG 19 CO 0.01 0.00 -0.99 1.19 -1.07 0.00 0.00 179.97 179.10 3abm n PHE 20 N -2.53 -0.85 1.39 3.04 3.01 -0.24 -4.98 117.46 116.30 3abm n PHE 20 Ca -0.01 -3.26 0.14 0.00 1.01 0.00 0.00 57.45 55.34 3abm n PHE 20 Cb 0.12 0.07 0.62 0.00 -0.01 0.00 0.00 39.48 40.27 3abm n PHE 20 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3abm n PRO 21 N 1.05 0.62 -3.76 -1.08 -0.04 -1.24 -4.66 135.00 125.89 3abm n PRO 21 Ca 0.19 -0.19 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 3abm n PRO 21 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3abm n PRO 21 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3abm s ASN 22 N -2.51 4.70 0.44 3.54 0.01 -1.26 -5.02 114.94 114.83 3abm s ASN 22 Ca 0.28 -1.18 0.14 0.00 -0.71 0.00 0.00 52.86 51.38 3abm s ASN 22 Cb 0.20 0.38 0.97 0.00 0.41 0.00 0.00 41.25 43.21 3abm s ASN 22 CO 0.48 -1.13 1.98 1.56 -1.51 0.00 0.00 177.10 178.48 3abm h GLN 23 N 0.68 0.03 -5.82 -0.60 4.20 -2.06 -3.39 115.11 108.15 3abm h GLN 23 Ca -0.36 -0.01 -0.61 0.00 0.06 0.00 0.00 58.65 57.74 3abm h GLN 23 Cb 1.30 -0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.97 3abm h GLN 23 CO 0.55 0.21 0.41 1.21 -0.67 0.00 0.00 178.83 180.54 3abm s ASN 24 N -6.99 6.59 0.00 1.46 3.84 -1.26 -4.87 114.94 113.71 3abm s ASN 24 Ca -0.04 0.45 0.08 0.00 0.21 0.00 0.00 52.86 53.55 3abm s ASN 24 Cb 0.16 -2.41 0.20 0.00 -0.55 0.00 0.00 41.25 38.65 3abm s ASN 24 CO 0.70 -0.72 1.12 0.00 -2.79 0.00 0.00 177.10 175.42 3abm n GLN 25 N 6.42 2.53 -0.15 0.43 1.13 -1.26 -4.68 117.38 121.80 3abm n GLN 25 Ca 0.04 -1.77 -0.04 0.00 -1.94 0.00 0.00 57.00 53.29 3abm n GLN 25 Cb 0.48 -1.19 0.05 0.00 0.11 0.00 0.00 30.24 29.69 3abm n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3abm h THR 26 N 1.47 0.84 0.00 5.09 2.02 -1.96 -1.22 112.91 119.16 3abm h THR 26 Ca 0.00 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 3abm h THR 26 Cb 0.62 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3abm h THR 26 CO 0.00 0.06 -0.17 -0.09 0.37 0.00 0.00 175.52 175.69 3abm h ARG 27 N 0.33 0.00 -0.30 6.66 2.43 -1.99 -1.86 114.38 119.66 3abm h ARG 27 Ca 0.22 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3abm h ARG 27 Cb 0.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3abm h ARG 27 CO -0.23 0.17 0.06 -0.97 -1.51 0.00 0.00 179.97 177.50 3abm h ASN 28 N 0.00 0.46 -0.79 -3.80 -0.73 -1.55 -0.43 115.58 108.74 3abm h ASN 28 Ca -0.00 -0.24 -0.00 0.00 1.87 0.00 0.00 56.30 57.92 3abm h ASN 28 Cb 0.58 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 39.01 3abm h ASN 28 CO 0.02 0.58 0.48 0.00 -0.37 0.00 0.00 177.43 178.14 3abm h TRP 30 N 1.09 -0.39 -0.74 0.00 2.91 -1.17 -1.87 115.95 115.79 3abm h TRP 30 Ca 0.28 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.30 3abm h TRP 30 Cb -0.04 0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 28.71 3abm h TRP 30 CO -0.01 -0.16 0.49 0.37 -1.03 0.00 0.00 178.44 178.10 3abm h GLN 31 N -0.54 0.96 -0.13 2.65 5.75 -1.07 -0.76 115.11 121.97 3abm h GLN 31 Ca -0.04 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.31 3abm h GLN 31 Cb 0.40 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 3abm h GLN 31 CO 0.07 0.64 -0.31 -0.91 -2.65 0.00 0.00 178.83 175.67 3abm h ASN 32 N 0.99 0.25 -0.40 -0.69 2.35 -1.33 0.20 115.58 116.96 3abm h ASN 32 Ca 0.27 -0.08 -0.14 0.00 -0.55 0.00 0.00 56.30 55.80 3abm h ASN 32 Cb -0.11 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3abm h ASN 32 CO -0.06 0.55 -0.28 0.22 -1.65 0.00 0.00 177.43 176.21 3abm h TYR 33 N 0.22 1.06 -0.10 1.19 3.20 -0.48 -1.01 116.97 121.04 3abm h TYR 33 Ca 0.03 -0.29 -0.14 0.00 3.14 0.00 0.00 58.73 61.47 3abm h TYR 33 Cb 0.66 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 38.70 3abm h TYR 33 CO 0.01 1.09 -0.48 -0.07 -1.64 0.00 0.00 178.16 177.08 3abm h LEU 34 N 0.72 0.59 -0.55 2.82 3.38 -0.47 -2.72 115.31 119.08 3abm h LEU 34 Ca 0.08 -0.64 0.07 0.00 0.09 0.00 0.00 57.88 57.48 3abm h LEU 34 Cb 0.86 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 3abm h LEU 34 CO 0.08 1.14 0.23 0.44 0.09 0.00 0.00 178.44 180.41 3abm h ASP 35 N 0.09 0.26 -0.62 -0.43 3.45 -0.60 0.39 116.42 118.97 3abm h ASP 35 Ca -0.03 0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.43 3abm h ASP 35 Cb 1.12 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.88 3abm h ASP 35 CO 0.10 0.17 0.19 0.15 -1.57 0.00 0.00 179.24 178.28 3abm h PHE 36 N 0.43 1.03 0.01 4.55 3.57 -1.11 0.15 116.94 125.57 3abm h PHE 36 Ca 0.26 -0.10 -0.23 0.00 3.53 0.00 0.00 57.97 61.43 3abm h PHE 36 Cb 0.27 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 3abm h PHE 36 CO -0.14 0.83 -1.17 0.45 -2.23 0.00 0.00 178.31 176.05 3abm h HIS 37 N 0.96 0.03 -0.30 0.41 3.86 -1.11 -1.07 115.15 117.93 3abm h HIS 37 Ca 0.21 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3abm h HIS 37 Cb 0.30 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 3abm h HIS 37 CO 0.02 1.02 0.10 0.00 0.86 0.00 0.00 177.93 179.93 3abm h ARG 38 N 0.00 0.46 0.81 2.45 3.08 -0.19 -2.49 114.38 118.50 3abm h ARG 38 Ca -0.08 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 3abm h ARG 38 Cb 1.84 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 31.82 3abm h ARG 38 CO 0.12 0.51 -0.39 0.00 -1.07 0.00 0.00 179.97 179.14 3abm h GLU 40 N -1.09 0.05 0.06 0.00 4.81 -1.24 -0.59 114.58 116.57 3abm h GLU 40 Ca -0.11 -0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.80 3abm h GLU 40 Cb 0.83 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 3abm h GLU 40 CO 0.18 0.03 -1.77 1.57 -0.73 0.00 0.00 179.01 178.29 3abm h LYS 41 N 0.05 0.13 -0.71 1.92 2.10 -1.21 -2.15 116.57 116.70 3abm h LYS 41 Ca 0.69 -0.22 0.04 0.00 -2.00 0.00 0.00 60.65 59.16 3abm h LYS 41 Cb 2.61 0.08 -0.04 0.00 -0.90 0.00 0.00 32.23 33.98 3abm h LYS 41 CO -0.08 0.84 0.47 0.00 -2.00 0.00 0.00 179.45 178.68 3abm h ALA 42 N 0.61 1.61 0.06 0.07 0.00 -0.26 0.27 119.26 121.61 3abm h ALA 42 Ca -0.32 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3abm h ALA 42 Cb 2.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3abm h ALA 42 CO 0.10 0.31 -0.03 0.52 0.00 0.00 0.00 179.25 180.15 3abm h MET 43 N 0.84 -0.08 -0.71 0.00 2.86 -1.21 -3.18 114.93 113.45 3abm h MET 43 Ca 0.29 0.01 0.21 0.00 -2.06 0.00 0.00 59.70 58.14 3abm h MET 43 Cb 0.09 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3abm h MET 43 CO -0.08 -0.05 0.78 1.15 1.06 0.00 0.00 176.91 179.77 3abm h THR 44 N -0.16 0.21 0.00 2.22 2.02 -1.37 0.10 112.91 115.92 3abm h THR 44 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3abm h THR 44 Cb 0.06 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3abm h THR 44 CO 0.01 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.90 3abm n ALA 45 N -2.32 0.00 0.00 6.16 0.00 0.95 -4.00 120.51 121.30 3abm n ALA 45 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3abm n ALA 45 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.48 3abm n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3abm n LYS 46 N 0.00 0.00 -2.17 0.00 4.76 -0.79 -4.67 118.16 115.29 3abm n LYS 46 Ca 0.00 0.02 -0.03 0.00 -2.87 0.00 0.00 58.31 55.42 3abm n LYS 46 Cb 0.00 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 3abm n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3abm n GLY 47 N -0.70 -0.97 2.89 0.72 0.00 0.28 -5.09 105.19 102.32 3abm n GLY 47 Ca 0.00 0.52 -0.21 0.00 0.00 0.00 0.00 46.02 46.33 3abm n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abm n GLY 48 N -0.50 3.30 3.79 -0.02 0.00 -1.19 -5.02 105.19 105.56 3abm n GLY 48 Ca 0.05 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 3abm n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3abm s ASP 49 N -3.15 6.37 0.18 1.61 3.68 -1.26 -4.48 116.67 119.62 3abm s ASP 49 Ca 0.21 0.43 0.23 0.00 2.13 0.00 0.00 52.55 55.55 3abm s ASP 49 Cb 0.01 -2.11 0.90 0.00 -1.45 0.00 0.00 42.92 40.27 3abm s ASP 49 CO 0.15 0.26 1.69 0.52 0.13 0.00 0.00 175.17 177.92 3abm n VAL 50 N 2.83 0.75 0.28 1.11 0.31 -1.26 -2.47 118.33 119.88 3abm n VAL 50 Ca -0.16 0.12 0.18 0.00 -0.01 0.00 0.00 64.34 64.46 3abm n VAL 50 Cb 0.53 -0.97 0.93 0.00 -0.91 0.00 0.00 33.84 33.42 3abm n VAL 50 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3abm h SER 51 N 0.00 0.00 0.42 4.52 4.64 -2.02 0.41 113.55 121.53 3abm h SER 51 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3abm h SER 51 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3abm h SER 51 CO 0.00 0.00 -0.18 -0.37 -0.87 0.00 0.00 176.83 175.41 3abm h VAL 52 N 0.00 0.72 -0.05 0.95 -1.51 -1.92 -2.47 116.25 111.96 3abm h VAL 52 Ca 0.04 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 3abm h VAL 52 Cb 0.44 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 3abm h VAL 52 CO -0.00 0.18 0.00 0.00 -1.23 0.00 0.00 177.57 176.51 3abm h GLU 54 N 0.53 0.78 -0.24 0.00 4.57 -1.48 -2.84 114.58 115.91 3abm h GLU 54 Ca 0.00 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.19 3abm h GLU 54 Cb 0.12 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 28.47 3abm h GLU 54 CO 0.00 0.52 -0.18 2.35 -1.18 0.00 0.00 179.01 180.52 3abm h TRP 55 N 0.81 -0.46 -0.74 0.92 2.91 -1.84 0.53 115.95 118.07 3abm h TRP 55 Ca 0.23 0.03 0.15 0.00 1.13 0.00 0.00 58.89 60.43 3abm h TRP 55 Cb -0.07 0.24 -0.05 0.00 -0.51 0.00 0.00 29.16 28.77 3abm h TRP 55 CO -0.04 -0.25 0.49 1.88 -1.03 0.00 0.00 178.44 179.49 3abm h TYR 56 N -0.18 0.45 -0.03 2.65 0.99 -1.84 0.67 116.97 119.69 3abm h TYR 56 Ca 0.14 0.01 -0.20 0.00 2.00 0.00 0.00 58.73 60.68 3abm h TYR 56 Cb 0.38 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 37.96 3abm h TYR 56 CO -0.34 0.17 -0.82 -0.09 -0.00 0.00 0.00 178.16 177.08 3abm h ARG 57 N 0.38 0.32 -0.01 4.88 2.43 -0.88 -1.65 114.38 119.84 3abm h ARG 57 Ca 0.36 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3abm h ARG 57 Cb 0.86 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 3abm h ARG 57 CO -0.11 0.98 -0.07 0.00 -1.51 0.00 0.00 179.97 179.26 3abm h ARG 58 N 0.20 0.07 -0.26 0.20 2.47 0.29 -1.36 114.38 115.98 3abm h ARG 58 Ca -0.05 -0.06 0.06 0.00 -1.26 0.00 0.00 59.98 58.68 3abm h ARG 58 Cb 1.43 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 29.69 3abm h ARG 58 CO 0.13 0.73 -0.16 0.28 0.56 0.00 0.00 179.97 181.51 3abm h VAL 59 N -0.58 0.54 -0.17 2.04 2.07 -0.99 -1.38 116.25 117.77 3abm h VAL 59 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3abm h VAL 59 Cb 0.74 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3abm h VAL 59 CO 0.01 0.00 -0.10 0.10 0.02 0.00 0.00 177.57 177.60 3abm h TYR 60 N -0.14 0.28 -0.29 1.57 -0.00 -1.28 -2.31 116.97 114.80 3abm h TYR 60 Ca 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 58.73 58.78 3abm h TYR 60 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 36.73 36.99 3abm h TYR 60 CO -0.34 0.37 -0.09 0.87 -0.00 0.00 0.00 178.16 178.98 3abm h LYS 61 N 0.26 0.57 -0.53 0.10 1.79 -0.73 0.13 116.57 118.15 3abm h LYS 61 Ca 0.05 -0.23 0.02 0.00 -2.18 0.00 0.00 60.65 58.32 3abm h LYS 61 Cb 0.34 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 3abm h LYS 61 CO 0.02 0.78 0.33 0.77 -1.08 0.00 0.00 179.45 180.27 3abm h SER 62 N 0.32 0.56 0.12 0.86 0.02 -0.94 -3.36 113.55 111.13 3abm h SER 62 Ca 0.07 -0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.66 3abm h SER 62 Cb 0.58 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3abm h SER 62 CO 0.03 0.40 -1.96 0.18 -1.14 0.00 0.00 176.83 174.34 3abm n LEU 63 N -4.76 2.60 -4.72 5.07 4.77 -0.90 -4.96 117.00 114.11 3abm n LEU 63 Ca 0.04 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.82 3abm n LEU 63 Cb 0.05 -1.11 -0.04 0.00 -2.33 0.00 0.00 43.42 39.99 3abm n LEU 63 CO 0.34 0.83 0.69 0.00 -1.33 0.00 0.00 177.39 177.92 3abm n PRO 65 N 3.36 1.91 -0.36 0.00 -0.02 -1.26 -4.83 135.00 133.79 3abm n PRO 65 Ca 0.05 0.67 0.09 0.00 -2.02 0.00 0.00 63.50 62.28 3abm n PRO 65 Cb 0.50 -2.19 0.27 0.00 -0.02 0.00 0.00 33.50 32.05 3abm n PRO 65 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3abm h ILE 66 N 2.41 0.85 0.00 4.25 2.04 -1.94 -1.59 117.51 123.53 3abm h ILE 66 Ca -0.44 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.02 3abm h ILE 66 Cb 1.30 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3abm h ILE 66 CO 0.63 0.17 -0.40 0.77 0.00 0.00 0.00 178.15 179.31 3abm h SER 67 N 0.92 0.00 -0.11 1.72 4.64 -1.99 -1.02 113.55 117.71 3abm h SER 67 Ca 0.53 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.76 3abm h SER 67 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3abm h SER 67 CO -0.31 0.40 -0.26 -0.50 -0.87 0.00 0.00 176.83 175.29 3abm h TRP 68 N 0.00 0.46 -0.33 4.77 4.06 -1.66 -2.21 115.95 121.05 3abm h TRP 68 Ca -0.00 -0.18 0.03 0.00 2.06 0.00 0.00 58.89 60.80 3abm h TRP 68 Cb 0.73 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.77 3abm h TRP 68 CO 0.00 0.87 0.13 0.28 -3.56 0.00 0.00 178.44 176.16 3abm h VAL 69 N -0.08 0.93 -0.73 1.49 2.07 -1.24 -0.40 116.25 118.29 3abm h VAL 69 Ca -0.00 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3abm h VAL 69 Cb 0.86 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 3abm h VAL 69 CO 0.06 0.05 0.43 -1.28 0.02 0.00 0.00 177.57 176.85 3abm h SER 70 N 0.28 0.66 -0.30 0.57 0.87 -1.25 0.81 113.55 115.19 3abm h SER 70 Ca 0.15 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.65 3abm h SER 70 Cb 0.10 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3abm h SER 70 CO -0.14 0.42 -0.12 0.74 -0.53 0.00 0.00 176.83 177.21 3abm h THR 71 N 0.79 1.29 -0.66 2.23 2.02 -1.19 -0.71 112.91 116.68 3abm h THR 71 Ca 0.32 -1.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 3abm h THR 71 Cb 0.18 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 3abm h THR 71 CO -0.18 0.38 0.08 -0.50 0.37 0.00 0.00 175.52 175.67 3abm h TRP 72 N 0.37 1.19 -0.08 3.16 6.55 -0.90 0.12 115.95 126.35 3abm h TRP 72 Ca 0.07 -0.18 -0.00 0.00 0.95 0.00 0.00 58.89 59.73 3abm h TRP 72 Cb 0.62 -0.32 -0.00 0.00 -0.86 0.00 0.00 29.16 28.60 3abm h TRP 72 CO 0.06 1.01 0.04 -0.44 -1.05 0.00 0.00 178.44 178.05 3abm h ASP 73 N 1.03 0.11 -0.49 -3.49 3.45 -0.68 0.21 116.42 116.55 3abm h ASP 73 Ca 0.20 -0.13 0.06 0.00 0.43 0.00 0.00 57.03 57.59 3abm h ASP 73 Cb 0.48 -0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 39.17 3abm h ASP 73 CO 0.02 0.21 0.21 0.44 -1.57 0.00 0.00 179.24 178.54 3abm h ASP 74 N 0.00 0.25 0.44 6.45 3.32 -0.92 -1.55 116.42 124.41 3abm h ASP 74 Ca 0.03 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 3abm h ASP 74 Cb 0.13 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3abm h ASP 74 CO -0.00 0.18 -0.58 0.03 -1.72 0.00 0.00 179.24 177.14 3abm h ARG 75 N 0.41 0.14 -0.66 3.56 3.08 0.02 -0.62 114.38 120.30 3abm h ARG 75 Ca 0.23 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.19 3abm h ARG 75 Cb 0.20 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3abm h ARG 75 CO -0.21 0.68 0.44 0.00 -1.07 0.00 0.00 179.97 179.82 3abm h ARG 76 N 0.11 0.87 -0.94 0.04 3.08 -0.18 -0.97 114.38 116.39 3abm h ARG 76 Ca -0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3abm h ARG 76 Cb 1.06 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.87 3abm h ARG 76 CO 0.08 0.58 0.61 0.00 -1.07 0.00 0.00 179.97 180.17 3abm h ALA 77 N 1.25 1.31 0.00 0.04 0.00 -0.42 -2.73 119.26 118.70 3abm h ALA 77 Ca 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3abm h ALA 77 Cb -0.10 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.31 3abm h ALA 77 CO -0.05 0.63 -0.04 1.49 0.00 0.00 0.00 179.25 181.28 3abm h GLU 78 N 1.28 0.00 0.00 0.00 4.81 -0.81 -3.47 114.58 116.39 3abm h GLU 78 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3abm h GLU 78 Cb -0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3abm h GLU 78 CO -0.07 0.04 0.00 0.41 -0.73 0.00 0.00 179.01 178.65 3abm n GLY 79 N 0.86 0.89 0.07 1.92 0.00 -0.70 -4.98 105.19 103.26 3abm n GLY 79 Ca 0.03 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.07 3abm n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3abm n THR 80 N -2.20 1.44 -2.11 2.61 -2.24 -0.45 -4.99 114.28 106.34 3abm n THR 80 Ca 0.00 -1.66 -0.42 0.00 -2.27 0.00 0.00 64.05 59.70 3abm n THR 80 Cb 0.00 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 3abm n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3abm s PHE 81 N -2.02 2.31 -0.78 4.78 5.36 -1.02 -4.90 117.98 121.71 3abm s PHE 81 Ca 0.19 0.45 0.26 0.00 -0.96 0.00 0.00 56.93 56.87 3abm s PHE 81 Cb 0.16 -3.80 0.70 0.00 -0.34 0.00 0.00 43.02 39.74 3abm s PHE 81 CO 0.02 -3.23 1.62 -0.35 -1.46 0.00 0.00 175.22 171.81 3abm n PRO 82 N 6.64 0.20 -2.34 10.12 -0.04 -1.26 -4.82 135.00 143.50 3abm n PRO 82 Ca 0.16 0.12 -0.33 0.00 -0.04 0.00 0.00 63.50 63.40 3abm n PRO 82 Cb 0.43 -1.68 -0.02 0.00 -0.04 0.00 0.00 33.50 32.19 3abm n PRO 82 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3abm s GLY 83 N -3.44 2.24 -0.26 0.55 0.00 -1.26 -5.02 107.32 100.12 3abm s GLY 83 Ca 0.10 0.40 -0.21 0.00 0.00 0.00 0.00 44.72 45.02 3abm s GLY 83 CO 0.64 0.71 0.64 1.25 0.00 0.00 0.00 173.10 176.33 3abm s LYS 84 N -3.76 4.08 0.00 2.90 2.20 -1.26 -5.16 119.74 118.74 3abm s LYS 84 Ca 0.63 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 3abm s LYS 84 Cb -0.14 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 3abm s LYS 84 CO 0.29 -0.45 0.37 -0.89 -0.36 0.00 0.00 175.35 174.31