#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8z s VAL 2 N 0.00 5.22 0.44 3.15 1.01 -1.26 -0.51 120.40 128.45 3a8z s VAL 2 Ca 0.00 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 3a8z s VAL 2 Cb 0.00 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 3a8z s VAL 2 CO 0.00 -0.16 0.99 -0.36 0.00 0.00 0.00 175.10 175.58 3a8z s PHE 3 N 1.69 3.23 0.68 5.22 0.40 -0.12 -4.99 117.98 124.10 3a8z s PHE 3 Ca 0.05 1.62 -0.12 0.00 -0.60 0.00 0.00 56.93 57.88 3a8z s PHE 3 Cb -0.18 -2.97 0.00 0.00 0.51 0.00 0.00 43.02 40.39 3a8z s PHE 3 CO 0.10 -0.39 1.06 0.20 0.70 0.00 0.00 175.22 176.89 3a8z s GLY 4 N -1.98 1.77 0.11 4.36 0.00 -1.26 -4.82 107.32 105.49 3a8z s GLY 4 Ca 0.62 0.18 -0.29 0.00 0.00 0.00 0.00 44.72 45.23 3a8z s GLY 4 CO 0.18 0.49 1.62 -0.09 0.00 0.00 0.00 173.10 175.31 3a8z h ARG 5 N -0.52 -0.56 -0.09 2.90 2.43 -1.97 0.05 114.38 116.61 3a8z h ARG 5 Ca -0.44 0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 58.63 3a8z h ARG 5 Cb 1.22 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 3a8z h ARG 5 CO 0.56 -0.37 -0.53 0.00 -1.51 0.00 0.00 179.97 178.12 3a8z h GLU 7 N 0.20 0.77 -0.39 0.00 4.81 -1.90 -1.09 114.58 116.99 3a8z h GLU 7 Ca 0.00 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 3a8z h GLU 7 Cb 1.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3a8z h GLU 7 CO 0.08 0.51 -0.38 1.25 -0.73 0.00 0.00 179.01 179.75 3a8z h LEU 8 N 0.79 1.01 -0.46 1.64 5.85 -0.84 -1.89 115.31 121.40 3a8z h LEU 8 Ca 0.25 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.57 3a8z h LEU 8 Cb -0.00 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 3a8z h LEU 8 CO -0.09 1.26 0.18 0.00 -0.34 0.00 0.00 178.44 179.45 3a8z h ALA 9 N 0.79 0.57 -0.65 1.25 0.00 -1.09 0.12 119.26 120.25 3a8z h ALA 9 Ca 0.06 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3a8z h ALA 9 Cb 0.97 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3a8z h ALA 9 CO 0.09 -0.20 0.23 0.00 0.00 0.00 0.00 179.25 179.37 3a8z h ALA 10 N 1.29 0.85 -0.60 0.00 0.00 -1.12 -0.88 119.26 118.81 3a8z h ALA 10 Ca 0.22 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3a8z h ALA 10 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3a8z h ALA 10 CO -0.20 0.50 0.06 0.00 0.00 0.00 0.00 179.25 179.61 3a8z h ALA 11 N 1.09 0.80 -0.76 0.00 0.00 -0.87 -0.39 119.26 119.13 3a8z h ALA 11 Ca 0.21 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3a8z h ALA 11 Cb 0.26 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3a8z h ALA 11 CO -0.01 0.59 0.26 0.52 0.00 0.00 0.00 179.25 180.61 3a8z h MET 12 N 0.92 1.17 -0.39 0.00 2.86 -0.55 -2.16 114.93 116.78 3a8z h MET 12 Ca 0.18 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3a8z h MET 12 Cb 0.47 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3a8z h MET 12 CO 0.02 0.98 0.05 -0.22 1.06 0.00 0.00 176.91 178.80 3a8z h LYS 13 N 1.13 0.65 -0.82 1.72 3.64 -0.95 -1.22 116.57 120.73 3a8z h LYS 13 Ca 0.25 -0.18 0.10 0.00 -1.27 0.00 0.00 60.65 59.54 3a8z h LYS 13 Cb 0.28 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 3a8z h LYS 13 CO -0.01 0.72 0.53 -0.09 -2.27 0.00 0.00 179.45 178.33 3a8z h ARG 14 N 0.50 0.74 -0.44 1.90 2.43 -0.85 -1.37 114.38 117.28 3a8z h ARG 14 Ca 0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3a8z h ARG 14 Cb 0.39 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3a8z h ARG 14 CO 0.01 0.49 0.00 0.72 -1.51 0.00 0.00 179.97 179.68 3a8z n HIS 15 N -4.51 0.60 -1.20 2.20 8.25 -0.83 -4.93 115.22 114.79 3a8z n HIS 15 Ca 0.14 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3a8z n HIS 15 Cb 0.32 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.42 3a8z n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a8z n GLY 16 N 1.16 0.47 0.14 -1.41 0.00 -0.52 -4.95 105.19 100.08 3a8z n GLY 16 Ca 0.14 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.29 3a8z n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a8z h LEU 17 N 0.00 0.00 -9.23 0.99 3.38 -1.42 -3.41 115.31 105.63 3a8z h LEU 17 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3a8z h LEU 17 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 3a8z h LEU 17 CO 0.00 0.31 1.25 -0.62 0.09 0.00 0.00 178.44 179.47 3a8z s ASP 18 N -6.03 6.28 -0.96 -0.43 2.15 -1.26 -1.34 116.67 115.07 3a8z s ASP 18 Ca 0.02 2.33 0.00 0.00 0.43 0.00 0.00 52.55 55.34 3a8z s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 3a8z s ASP 18 CO 0.75 -1.24 0.00 -3.20 -0.17 0.00 0.00 175.17 171.31 3a8z n ASN 19 N 8.41 -4.90 -4.71 -0.34 4.05 -0.21 -4.90 115.26 112.66 3a8z n ASN 19 Ca 0.21 0.22 -0.42 0.00 0.45 0.00 0.00 54.58 55.05 3a8z n ASN 19 Cb 0.43 -3.19 -0.03 0.00 1.23 0.00 0.00 39.78 38.21 3a8z n ASN 19 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3a8z s TYR 20 N -2.07 2.86 -1.45 1.20 5.04 -0.45 -1.01 117.35 121.47 3a8z s TYR 20 Ca 0.00 0.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.14 3a8z s TYR 20 Cb 0.00 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.35 3a8z s TYR 20 CO 0.00 -3.63 0.00 0.54 -1.34 0.00 0.00 175.55 171.12 3a8z n ARG 21 N 4.45 -1.68 -0.83 4.97 5.12 -1.26 -1.49 116.66 125.93 3a8z n ARG 21 Ca 0.15 0.81 0.00 0.00 -1.93 0.00 0.00 57.85 56.88 3a8z n ARG 21 Cb 0.39 -5.26 0.00 0.00 -1.16 0.00 0.00 32.46 26.43 3a8z n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a8z n GLY 22 N -0.57 0.60 3.51 -0.13 0.00 -0.18 -5.02 105.19 103.40 3a8z n GLY 22 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3a8z n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a8z s TYR 23 N -2.09 3.21 0.87 1.61 2.02 -0.56 -4.90 117.35 117.52 3a8z s TYR 23 Ca 0.00 -0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 3a8z s TYR 23 Cb 0.00 -2.66 0.12 0.00 -0.40 0.00 0.00 41.96 39.02 3a8z s TYR 23 CO 0.00 -0.51 1.17 -1.54 -1.57 0.00 0.00 175.55 173.10 3a8z s SER 24 N 1.74 3.20 0.30 2.29 1.04 -1.26 -1.05 113.70 119.95 3a8z s SER 24 Ca 0.09 2.27 0.05 0.00 0.48 0.00 0.00 55.95 58.84 3a8z s SER 24 Cb -0.17 -2.58 0.72 0.00 0.10 0.00 0.00 66.02 64.09 3a8z s SER 24 CO 0.11 -2.93 1.76 0.25 0.98 0.00 0.00 173.24 173.42 3a8z h LEU 25 N -1.47 0.71 -1.69 2.42 5.85 -1.90 -0.50 115.31 118.73 3a8z h LEU 25 Ca -0.44 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 3a8z h LEU 25 Cb 1.28 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3a8z h LEU 25 CO 0.43 0.24 0.12 1.23 -0.34 0.00 0.00 178.44 180.12 3a8z h GLY 26 N 0.71 0.35 0.99 3.75 0.00 -1.91 -1.19 103.07 105.77 3a8z h GLY 26 Ca 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 3a8z h GLY 26 CO -0.40 0.14 0.30 3.43 0.00 0.00 0.00 176.54 180.01 3a8z h ASN 27 N 0.33 0.78 -0.41 0.19 2.35 -1.32 -0.44 115.58 117.07 3a8z h ASN 27 Ca 0.09 -0.12 -0.13 0.00 -0.55 0.00 0.00 56.30 55.59 3a8z h ASN 27 Cb 0.03 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3a8z h ASN 27 CO -0.01 0.68 -0.25 -0.50 -1.65 0.00 0.00 177.43 175.70 3a8z h TRP 28 N 0.82 1.03 -0.36 1.19 4.06 -1.29 -1.51 115.95 119.89 3a8z h TRP 28 Ca 0.21 -0.27 -0.05 0.00 2.06 0.00 0.00 58.89 60.84 3a8z h TRP 28 Cb 0.10 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.01 3a8z h TRP 28 CO -0.00 1.06 0.02 0.28 -3.56 0.00 0.00 178.44 176.25 3a8z h VAL 29 N 0.70 1.25 -0.35 1.49 2.07 -1.18 -1.51 116.25 118.73 3a8z h VAL 29 Ca 0.08 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.72 3a8z h VAL 29 Cb 0.82 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 3a8z h VAL 29 CO 0.07 0.31 0.14 0.00 0.02 0.00 0.00 177.57 178.10 3a8z h ALA 31 N 1.21 0.69 -0.53 0.00 0.00 -1.16 -2.40 119.26 117.07 3a8z h ALA 31 Ca 0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3a8z h ALA 31 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3a8z h ALA 31 CO -0.14 0.09 0.04 0.00 0.00 0.00 0.00 179.25 179.25 3a8z h ALA 32 N 1.22 1.07 -0.25 0.00 0.00 -0.96 0.63 119.26 120.98 3a8z h ALA 32 Ca 0.21 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3a8z h ALA 32 Cb -0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3a8z h ALA 32 CO -0.06 0.59 -0.04 -0.22 0.00 0.00 0.00 179.25 179.52 3a8z h LYS 33 N 0.82 0.03 0.00 0.00 1.63 -0.52 -1.07 116.57 117.46 3a8z h LYS 33 Ca 0.16 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.95 3a8z h LYS 33 Cb 0.43 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 3a8z h LYS 33 CO 0.01 0.02 -0.75 0.74 -3.45 0.00 0.00 179.45 176.02 3a8z h PHE 34 N 0.03 0.00 -0.08 1.91 0.04 -1.21 0.92 116.94 118.54 3a8z h PHE 34 Ca 0.12 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.76 3a8z h PHE 34 Cb 0.17 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.33 3a8z h PHE 34 CO -0.23 0.06 -0.46 0.93 -0.60 0.00 0.00 178.31 178.01 3a8z h GLU 35 N 0.00 0.46 0.00 1.51 4.39 -0.82 -3.43 114.58 116.70 3a8z h GLU 35 Ca -0.01 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.30 3a8z h GLU 35 Cb 1.06 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3a8z h GLU 35 CO 0.01 1.02 0.00 -1.13 -1.16 0.00 0.00 179.01 177.75 3a8z n SER 36 N -4.28 0.16 -2.97 1.42 3.41 -0.43 -4.83 113.62 106.11 3a8z n SER 36 Ca -0.08 -0.75 -0.20 0.00 -0.26 0.00 0.00 58.87 57.57 3a8z n SER 36 Cb 0.58 0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.60 3a8z n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3a8z n ASN 37 N -0.06 -4.70 -0.51 4.04 5.15 0.32 -1.85 115.26 117.64 3a8z n ASN 37 Ca 0.00 -0.19 -0.07 0.00 -0.60 0.00 0.00 54.58 53.72 3a8z n ASN 37 Cb 0.14 -3.88 -0.03 0.00 -0.53 0.00 0.00 39.78 35.49 3a8z n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3a8z n PHE 38 N -4.00 0.00 -3.38 1.20 3.72 -1.20 -4.83 117.46 108.96 3a8z n PHE 38 Ca -0.10 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.89 3a8z n PHE 38 Cb 0.59 -1.59 -0.09 0.00 -0.94 0.00 0.00 39.48 37.46 3a8z n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3a8z s ASN 39 N -2.62 6.19 0.58 4.37 3.84 -0.77 -0.94 114.94 125.58 3a8z s ASN 39 Ca 0.00 -0.31 0.34 0.00 0.21 0.00 0.00 52.86 53.10 3a8z s ASN 39 Cb 0.00 -2.20 1.77 0.00 -0.55 0.00 0.00 41.25 40.26 3a8z s ASN 39 CO 0.00 -0.39 2.17 0.71 -2.79 0.00 0.00 177.10 176.80 3a8z h THR 40 N 5.58 0.30 -0.26 -5.21 1.35 -1.11 -2.71 112.91 110.84 3a8z h THR 40 Ca -0.29 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3a8z h THR 40 Cb 1.14 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3a8z h THR 40 CO 0.72 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 176.03 3a8z n GLN 41 N -3.41 1.94 -1.75 4.72 6.02 -1.26 -3.97 117.38 119.67 3a8z n GLN 41 Ca -0.02 -1.42 -0.42 0.00 -0.01 0.00 0.00 57.00 55.13 3a8z n GLN 41 Cb 0.18 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 3a8z n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a8z s ALA 42 N -1.66 3.83 0.06 -1.58 0.00 -1.02 -4.82 121.76 116.58 3a8z s ALA 42 Ca 0.33 1.59 0.03 0.00 0.00 0.00 0.00 51.96 53.90 3a8z s ALA 42 Cb 0.18 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 3a8z s ALA 42 CO 0.26 -0.97 -0.08 0.95 0.00 0.00 0.00 175.76 175.92 3a8z s THR 43 N 0.47 0.68 -0.15 0.00 -4.23 -1.26 -0.52 115.64 110.64 3a8z s THR 43 Ca 0.68 -1.36 -0.06 0.00 -1.18 0.00 0.00 61.69 59.76 3a8z s THR 43 Cb -0.49 -0.99 0.06 0.00 1.34 0.00 0.00 72.50 72.43 3a8z s THR 43 CO 0.42 -0.50 0.32 0.21 -0.54 0.00 0.00 174.62 174.53 3a8z s ASN 44 N -2.03 -0.15 0.03 3.99 2.47 -0.69 -4.97 114.94 113.58 3a8z s ASN 44 Ca -0.02 0.72 -0.27 0.00 0.42 0.00 0.00 52.86 53.71 3a8z s ASN 44 Cb -0.06 0.75 -0.05 0.00 -1.45 0.00 0.00 41.25 40.45 3a8z s ASN 44 CO -0.01 -0.21 0.84 -0.60 -3.72 0.00 0.00 177.10 173.41 3a8z s ARG 45 N 1.86 4.54 0.35 0.43 6.06 -1.26 -0.54 118.95 130.40 3a8z s ARG 45 Ca -0.05 1.19 -0.01 0.00 -2.50 0.00 0.00 55.73 54.36 3a8z s ARG 45 Cb -0.11 -3.40 -0.04 0.00 0.06 0.00 0.00 34.95 31.47 3a8z s ARG 45 CO -0.10 0.16 0.57 -0.80 -2.50 0.00 0.00 175.30 172.63 3a8z s ASN 46 N 0.32 6.31 0.43 -2.12 0.01 0.23 -4.98 114.94 115.15 3a8z s ASN 46 Ca 0.43 0.54 0.12 0.00 -0.71 0.00 0.00 52.86 53.24 3a8z s ASN 46 Cb -0.21 -2.07 0.99 0.00 0.41 0.00 0.00 41.25 40.37 3a8z s ASN 46 CO 0.25 -0.31 2.00 0.71 -1.51 0.00 0.00 177.10 178.23 3a8z h THR 47 N 0.79 0.94 0.00 1.60 1.35 -1.97 -1.23 112.91 114.39 3a8z h THR 47 Ca -0.49 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3a8z h THR 47 Cb 1.21 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3a8z h THR 47 CO 0.62 0.08 0.00 -0.90 -0.25 0.00 0.00 175.52 175.07 3a8z n ASP 48 N -4.47 0.00 0.00 5.36 5.75 -1.26 -4.88 116.55 117.04 3a8z n ASP 48 Ca 0.08 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 3a8z n ASP 48 Cb 0.30 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 3a8z n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a8z n GLY 49 N 0.83 0.07 3.78 6.12 0.00 -0.46 -4.99 105.19 110.53 3a8z n GLY 49 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3a8z n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a8z s SER 50 N -2.08 3.73 0.02 1.61 1.04 -1.26 -4.74 113.70 112.03 3a8z s SER 50 Ca 0.00 1.13 0.03 0.00 0.48 0.00 0.00 55.95 57.59 3a8z s SER 50 Cb 0.00 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.33 3a8z s SER 50 CO 0.00 -2.43 -0.10 -0.89 0.98 0.00 0.00 173.24 170.80 3a8z s THR 51 N -3.18 0.80 -0.11 2.02 2.01 -1.26 -0.60 115.64 115.31 3a8z s THR 51 Ca 0.63 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.80 3a8z s THR 51 Cb -0.15 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 3a8z s THR 51 CO 0.54 -0.02 0.10 -1.81 -0.69 0.00 0.00 174.62 172.74 3a8z s ASP 52 N -0.89 6.08 -0.05 3.53 1.01 0.30 -0.95 116.67 125.71 3a8z s ASP 52 Ca -0.01 0.38 0.02 0.00 0.71 0.00 0.00 52.55 53.65 3a8z s ASP 52 Cb -0.07 -1.92 0.01 0.00 1.01 0.00 0.00 42.92 41.96 3a8z s ASP 52 CO 0.01 0.39 -0.10 -0.31 0.21 0.00 0.00 175.17 175.37 3a8z s TYR 53 N -0.94 1.14 0.00 4.23 1.51 -0.03 -1.70 117.35 121.57 3a8z s TYR 53 Ca 0.14 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 3a8z s TYR 53 Cb -0.12 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.88 3a8z s TYR 53 CO 0.03 -0.19 0.00 0.41 -1.11 0.00 0.00 175.55 174.69 3a8z n GLY 54 N 3.65 -1.88 0.26 0.71 0.00 0.32 -1.56 105.19 106.69 3a8z n GLY 54 Ca -0.22 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.17 3a8z n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3a8z h ILE 55 N 0.00 0.94 -0.24 -0.61 3.07 -1.72 -1.47 117.51 117.48 3a8z h ILE 55 Ca 0.00 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 66.28 3a8z h ILE 55 Cb 0.00 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 37.62 3a8z h ILE 55 CO 0.00 0.04 0.00 0.18 -1.05 0.00 0.00 178.15 177.32 3a8z n LEU 56 N -4.38 3.15 -3.86 0.16 4.77 -1.26 -3.97 117.00 111.61 3a8z n LEU 56 Ca -0.03 -2.51 -0.30 0.00 -0.03 0.00 0.00 56.01 53.14 3a8z n LEU 56 Cb 0.12 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 3a8z n LEU 56 CO 0.33 0.68 -0.16 0.00 -1.33 0.00 0.00 177.39 176.91 3a8z n GLN 57 N -0.20 -2.05 -2.69 3.23 1.13 -0.56 -4.89 117.38 111.35 3a8z n GLN 57 Ca 0.15 0.38 -0.41 0.00 -1.94 0.00 0.00 57.00 55.18 3a8z n GLN 57 Cb 0.61 -4.12 -0.04 0.00 0.11 0.00 0.00 30.24 26.80 3a8z n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3a8z s ILE 58 N -3.71 4.53 -0.01 5.09 1.01 -0.60 -4.33 121.20 123.17 3a8z s ILE 58 Ca 0.25 2.01 -0.16 0.00 0.00 0.00 0.00 60.65 62.75 3a8z s ILE 58 Cb -0.10 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 3a8z s ILE 58 CO 0.89 0.26 0.44 0.21 0.00 0.00 0.00 174.94 176.75 3a8z s ASN 59 N 0.30 6.82 0.00 3.58 2.47 -1.26 -0.85 114.94 126.00 3a8z s ASN 59 Ca 0.49 0.98 0.17 0.00 0.42 0.00 0.00 52.86 54.92 3a8z s ASN 59 Cb -0.23 -2.27 0.73 0.00 -1.45 0.00 0.00 41.25 38.02 3a8z s ASN 59 CO 0.30 0.26 1.54 -1.54 -3.72 0.00 0.00 177.10 173.94 3a8z n SER 60 N 2.15 0.00 -0.20 -4.21 3.41 -0.13 -2.08 113.62 112.57 3a8z n SER 60 Ca -0.12 0.49 -0.02 0.00 -0.26 0.00 0.00 58.87 58.96 3a8z n SER 60 Cb 0.52 -0.50 0.18 0.00 -0.26 0.00 0.00 64.21 64.15 3a8z n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3a8z h ARG 61 N 0.00 0.97 0.00 4.33 9.65 -1.83 -3.38 114.38 124.11 3a8z h ARG 61 Ca 0.00 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 3a8z h ARG 61 Cb 0.29 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3a8z h ARG 61 CO 0.00 0.77 -0.86 0.91 2.80 0.00 0.00 179.97 183.59 3a8z n TRP 62 N -4.32 0.00 -0.03 2.20 7.02 -1.20 -1.12 117.44 119.99 3a8z n TRP 62 Ca 0.06 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.55 3a8z n TRP 62 Cb 0.15 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.94 3a8z n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3a8z n TRP 63 N -1.96 0.00 -3.96 -5.99 7.02 -0.88 -0.91 117.44 110.75 3a8z n TRP 63 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 3a8z n TRP 63 Cb 0.43 -0.44 -0.08 0.00 -2.42 0.00 0.00 31.31 28.80 3a8z n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a8z s ASN 65 N -2.91 6.12 0.00 0.00 3.84 -0.40 -4.58 114.94 117.02 3a8z s ASN 65 Ca 0.09 0.12 0.01 0.00 0.21 0.00 0.00 52.86 53.28 3a8z s ASN 65 Cb 0.06 -2.13 0.01 0.00 -0.55 0.00 0.00 41.25 38.64 3a8z s ASN 65 CO -0.08 -0.00 0.73 -0.90 -2.79 0.00 0.00 177.10 174.05 3a8z n ASP 66 N 4.64 1.48 0.00 -4.21 5.68 -1.26 -1.00 116.55 121.88 3a8z n ASP 66 Ca -0.14 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 3a8z n ASP 66 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3a8z n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a8z n GLY 67 N -0.18 0.55 0.80 6.12 0.00 -1.26 -4.79 105.19 106.43 3a8z n GLY 67 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 3a8z n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3a8z n ARG 68 N -1.92 0.32 -3.85 1.61 1.85 -1.26 -4.96 116.66 108.46 3a8z n ARG 68 Ca 0.00 -1.78 -0.29 0.00 -1.00 0.00 0.00 57.85 54.78 3a8z n ARG 68 Cb 0.03 -0.57 -0.13 0.00 -1.05 0.00 0.00 32.46 30.74 3a8z n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3a8z s THR 69 N -0.70 2.37 0.13 8.89 2.01 -1.26 -4.82 115.64 122.25 3a8z s THR 69 Ca 0.20 -3.60 -0.35 0.00 0.31 0.00 0.00 61.69 58.25 3a8z s THR 69 Cb 0.21 -2.60 -0.16 0.00 0.01 0.00 0.00 72.50 69.96 3a8z s THR 69 CO -0.06 -0.94 1.34 -2.65 -0.69 0.00 0.00 174.62 171.61 3a8z n PRO 70 N 2.63 1.35 -1.00 4.92 -0.02 -1.26 -1.89 135.00 139.72 3a8z n PRO 70 Ca 0.14 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3a8z n PRO 70 Cb 0.35 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3a8z n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a8z n GLY 71 N 2.50 0.58 3.92 -1.23 0.00 -1.26 -5.01 105.19 104.69 3a8z n GLY 71 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3a8z n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a8z s SER 72 N -2.20 4.75 0.48 1.61 1.04 -0.79 -5.07 113.70 113.52 3a8z s SER 72 Ca 0.00 0.53 0.05 0.00 0.48 0.00 0.00 55.95 57.02 3a8z s SER 72 Cb 0.00 -1.15 -0.01 0.00 0.10 0.00 0.00 66.02 64.96 3a8z s SER 72 CO 0.00 -1.67 0.22 -0.13 0.98 0.00 0.00 173.24 172.64 3a8z s ARG 73 N -5.32 2.23 -0.41 4.02 1.81 -0.27 -5.00 118.95 116.00 3a8z s ARG 73 Ca 0.60 -2.04 0.09 0.00 -1.72 0.00 0.00 55.73 52.66 3a8z s ARG 73 Cb -0.11 -1.91 0.29 0.00 -0.45 0.00 0.00 34.95 32.77 3a8z s ARG 73 CO 0.46 -0.36 0.64 -1.71 -0.68 0.00 0.00 175.30 173.65 3a8z n ASN 74 N -1.43 0.94 0.26 0.23 5.15 -1.17 -3.72 115.26 115.51 3a8z n ASN 74 Ca -0.06 -2.92 0.15 0.00 -0.60 0.00 0.00 54.58 51.15 3a8z n ASN 74 Cb 0.65 -0.63 0.58 0.00 -0.53 0.00 0.00 39.78 39.85 3a8z n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3a8z h LEU 75 N 3.59 0.00 -0.40 1.20 3.38 -1.03 -1.06 115.31 120.99 3a8z h LEU 75 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3a8z h LEU 75 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3a8z h LEU 75 CO 0.53 0.06 -0.15 0.00 0.09 0.00 0.00 178.44 178.96 3a8z n ASN 77 N -0.72 -1.64 -3.85 0.00 3.02 -0.40 -4.98 115.26 106.69 3a8z n ASN 77 Ca 0.14 -0.73 -0.11 0.00 -0.03 0.00 0.00 54.58 53.85 3a8z n ASN 77 Cb 0.31 -4.54 -0.09 0.00 -0.61 0.00 0.00 39.78 34.84 3a8z n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3a8z s ILE 78 N -3.53 0.08 0.34 2.41 -4.36 -1.26 -5.07 121.20 109.81 3a8z s ILE 78 Ca 0.01 -0.69 -0.28 0.00 -0.26 0.00 0.00 60.65 59.43 3a8z s ILE 78 Cb -0.00 -0.55 -0.10 0.00 1.25 0.00 0.00 42.46 43.06 3a8z s ILE 78 CO 0.77 -0.38 1.24 -2.16 0.24 0.00 0.00 174.94 174.66 3a8z s PRO 79 N -1.57 4.31 0.54 0.37 0.04 -1.26 -1.27 135.00 136.15 3a8z s PRO 79 Ca -0.13 2.06 0.22 0.00 0.04 0.00 0.00 61.00 63.20 3a8z s PRO 79 Cb -0.06 -2.98 1.40 0.00 0.04 0.00 0.00 34.50 32.90 3a8z s PRO 79 CO 0.01 -0.17 2.08 0.00 0.04 0.00 0.00 177.00 178.96 3a8z h SER 81 N 0.00 0.00 0.36 0.00 4.64 -1.91 0.11 113.55 116.75 3a8z h SER 81 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 3a8z h SER 81 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3a8z h SER 81 CO -0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.92 3a8z h ALA 82 N 1.86 1.13 -0.00 5.18 0.00 -1.50 -1.50 119.26 124.43 3a8z h ALA 82 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3a8z h ALA 82 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3a8z h ALA 82 CO -0.00 0.05 -0.00 1.28 0.00 0.00 0.00 179.25 180.57 3a8z n LEU 83 N -3.31 0.07 -0.66 0.00 4.77 0.03 -3.27 117.00 114.62 3a8z n LEU 83 Ca -0.02 0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.12 3a8z n LEU 83 Cb 0.18 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3a8z n LEU 83 CO 0.25 0.01 0.49 0.18 -1.33 0.00 0.00 177.39 177.00 3a8z n LEU 84 N -1.05 2.35 -4.74 2.23 4.77 -0.56 -3.86 117.00 116.14 3a8z n LEU 84 Ca 0.21 -0.97 -0.35 0.00 -0.03 0.00 0.00 56.01 54.87 3a8z n LEU 84 Cb 0.16 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.32 3a8z n LEU 84 CO 0.20 0.42 0.81 -0.55 -1.33 0.00 0.00 177.39 176.93 3a8z s SER 85 N -1.50 4.61 0.54 -1.43 0.15 -1.20 -4.17 113.70 110.70 3a8z s SER 85 Ca 0.19 2.34 0.30 0.00 0.70 0.00 0.00 55.95 59.48 3a8z s SER 85 Cb 0.14 -2.59 1.55 0.00 -1.71 0.00 0.00 66.02 63.42 3a8z s SER 85 CO 0.24 -1.98 2.09 0.77 1.20 0.00 0.00 173.24 175.56 3a8z h SER 86 N 0.13 0.00 -3.46 5.45 4.64 -1.94 -3.40 113.55 114.96 3a8z h SER 86 Ca -0.49 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.23 3a8z h SER 86 Cb 1.29 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.27 3a8z h SER 86 CO 0.52 0.09 0.29 -0.62 -0.87 0.00 0.00 176.83 176.24 3a8z s ASP 87 N -5.98 6.60 0.00 4.97 -1.08 -1.26 -4.95 116.67 114.97 3a8z s ASP 87 Ca -0.03 0.60 0.17 0.00 -0.52 0.00 0.00 52.55 52.78 3a8z s ASP 87 Cb 0.13 -2.37 0.92 0.00 -1.46 0.00 0.00 42.92 40.13 3a8z s ASP 87 CO 0.56 -0.54 1.61 2.30 0.52 0.00 0.00 175.17 179.62 3a8z n ILE 88 N 5.43 0.06 -0.13 4.11 -5.35 -1.26 -4.34 119.36 117.89 3a8z n ILE 88 Ca 0.02 -0.09 -0.05 0.00 -0.27 0.00 0.00 62.75 62.36 3a8z n ILE 88 Cb 0.48 -0.10 0.02 0.00 -1.74 0.00 0.00 39.64 38.30 3a8z n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3a8z h THR 89 N 0.55 0.48 -0.47 7.28 2.02 -1.94 -0.27 112.91 120.57 3a8z h THR 89 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3a8z h THR 89 Cb 0.12 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3a8z h THR 89 CO 0.00 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.03 3a8z h ALA 90 N 1.29 0.61 -0.64 6.16 0.00 -1.84 -0.19 119.26 124.66 3a8z h ALA 90 Ca 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3a8z h ALA 90 Cb 0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3a8z h ALA 90 CO -0.47 0.28 0.41 0.77 0.00 0.00 0.00 179.25 180.24 3a8z h SER 91 N 0.62 0.70 -0.20 0.00 0.02 -1.68 -1.53 113.55 111.49 3a8z h SER 91 Ca 0.15 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3a8z h SER 91 Cb 0.28 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3a8z h SER 91 CO -0.00 0.50 0.04 0.58 -1.14 0.00 0.00 176.83 176.81 3a8z h VAL 92 N 0.84 1.22 -0.81 2.27 2.07 -0.75 0.32 116.25 121.41 3a8z h VAL 92 Ca 0.24 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3a8z h VAL 92 Cb -0.06 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3a8z h VAL 92 CO -0.07 0.22 0.46 0.78 0.02 0.00 0.00 177.57 178.98 3a8z h ASN 93 N 0.13 0.99 -0.24 0.57 2.35 -0.91 -0.89 115.58 117.58 3a8z h ASN 93 Ca 0.06 -0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.57 3a8z h ASN 93 Cb 0.30 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3a8z h ASN 93 CO 0.00 0.79 -0.52 0.00 -1.65 0.00 0.00 177.43 176.05 3a8z h ALA 95 N 0.63 1.70 -0.87 0.00 0.00 -0.52 -0.53 119.26 119.67 3a8z h ALA 95 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3a8z h ALA 95 Cb 1.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3a8z h ALA 95 CO 0.11 0.19 0.50 0.87 0.00 0.00 0.00 179.25 180.92 3a8z h LYS 96 N 0.76 1.20 -0.30 0.00 1.57 -1.07 -0.30 116.57 118.43 3a8z h LYS 96 Ca 0.31 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 3a8z h LYS 96 Cb 0.25 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3a8z h LYS 96 CO -0.10 0.86 -0.08 0.87 -0.57 0.00 0.00 179.45 180.43 3a8z h LYS 97 N 1.21 0.58 -0.07 3.15 1.57 -1.19 -2.88 116.57 118.95 3a8z h LYS 97 Ca 0.31 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3a8z h LYS 97 Cb -0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3a8z h LYS 97 CO -0.05 0.78 0.04 0.82 -0.57 0.00 0.00 179.45 180.47 3a8z h ILE 98 N 0.34 1.04 0.00 1.86 2.04 -0.81 -2.45 117.51 119.54 3a8z h ILE 98 Ca 0.07 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3a8z h ILE 98 Cb 0.57 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3a8z h ILE 98 CO 0.03 0.04 0.00 1.62 0.00 0.00 0.00 178.15 179.84 3a8z h VAL 99 N 0.06 0.00 -0.03 1.67 3.04 -1.10 -1.86 116.25 118.02 3a8z h VAL 99 Ca 0.02 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 3a8z h VAL 99 Cb 0.03 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.20 3a8z h VAL 99 CO -0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.36 3a8z n SER 100 N -2.30 1.87 0.10 3.17 7.64 -0.94 -3.71 113.62 119.46 3a8z n SER 100 Ca 0.01 -1.63 0.12 0.00 1.01 0.00 0.00 58.87 58.39 3a8z n SER 100 Cb 0.19 -0.01 0.45 0.00 -1.01 0.00 0.00 64.21 63.83 3a8z n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3a8z n ASP 101 N 0.46 0.68 0.00 6.43 2.03 -0.70 -4.89 116.55 120.56 3a8z n ASP 101 Ca 0.18 0.60 0.00 0.00 0.52 0.00 0.00 54.79 56.09 3a8z n ASP 101 Cb 0.41 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 3a8z n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a8z n GLY 102 N 0.80 2.29 1.06 0.27 0.00 -1.26 -4.97 105.19 103.38 3a8z n GLY 102 Ca 0.04 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.89 3a8z n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a8z n ASN 103 N 0.00 3.85 0.00 1.61 3.02 -1.26 -5.06 115.26 117.42 3a8z n ASN 103 Ca 0.00 -2.41 0.00 0.00 -0.03 0.00 0.00 54.58 52.14 3a8z n ASN 103 Cb 0.00 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 3a8z n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a8z n GLY 104 N 0.53 2.63 0.00 7.41 0.00 -1.24 -1.82 105.19 112.69 3a8z n GLY 104 Ca 0.20 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 46.03 3a8z n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a8z n MET 105 N 14.00 0.70 0.20 1.61 2.81 -1.26 -2.94 117.12 132.24 3a8z n MET 105 Ca 0.00 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.03 3a8z n MET 105 Cb 0.00 -1.50 0.70 0.00 -0.71 0.00 0.00 33.22 31.71 3a8z n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3a8z h ASN 106 N 0.00 0.00 -0.51 7.83 2.35 -1.78 -1.11 115.58 122.36 3a8z h ASN 106 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 3a8z h ASN 106 Cb 0.15 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 3a8z h ASN 106 CO 0.00 0.00 0.35 0.00 -1.65 0.00 0.00 177.43 176.13 3a8z h ALA 107 N 2.05 2.23 -1.89 -0.83 0.00 -1.69 -3.32 119.26 115.81 3a8z h ALA 107 Ca 0.00 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.21 3a8z h ALA 107 Cb 0.09 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.68 3a8z h ALA 107 CO 0.00 -0.36 0.19 -1.58 0.00 0.00 0.00 179.25 177.50 3a8z s TRP 108 N -5.19 2.95 0.33 0.00 0.51 -0.42 -4.93 118.94 112.19 3a8z s TRP 108 Ca -0.06 -0.79 0.05 0.00 -2.12 0.00 0.00 56.10 53.17 3a8z s TRP 108 Cb 0.19 -3.98 0.69 0.00 -0.81 0.00 0.00 33.47 29.56 3a8z s TRP 108 CO 0.73 -1.31 1.90 0.28 -0.51 0.00 0.00 176.95 178.04 3a8z h VAL 109 N 5.92 0.95 -0.24 4.03 2.07 -1.83 -0.20 116.25 126.95 3a8z h VAL 109 Ca -0.29 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 3a8z h VAL 109 Cb 1.09 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3a8z h VAL 109 CO 1.09 0.15 -0.14 0.00 0.02 0.00 0.00 177.57 178.69 3a8z h ALA 110 N 1.57 1.31 -0.18 1.67 0.00 -1.92 0.10 119.26 121.81 3a8z h ALA 110 Ca 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3a8z h ALA 110 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3a8z h ALA 110 CO -0.17 0.46 0.08 2.35 0.00 0.00 0.00 179.25 181.97 3a8z h TRP 111 N 0.38 0.26 -0.69 0.00 7.01 -1.35 0.46 115.95 122.01 3a8z h TRP 111 Ca 0.07 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.07 3a8z h TRP 111 Cb 0.48 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.42 3a8z h TRP 111 CO 0.01 0.28 0.46 -0.09 -2.79 0.00 0.00 178.44 176.32 3a8z h ARG 112 N 0.16 0.91 0.00 2.65 2.43 -0.81 0.18 114.38 119.90 3a8z h ARG 112 Ca 0.06 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 3a8z h ARG 112 Cb 0.12 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3a8z h ARG 112 CO -0.01 0.60 -0.51 -0.91 -1.51 0.00 0.00 179.97 177.64 3a8z h ASN 113 N 0.94 0.00 0.00 -3.80 2.35 -0.88 -3.36 115.58 110.82 3a8z h ASN 113 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3a8z h ASN 113 Cb -0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3a8z h ASN 113 CO -0.06 0.39 -0.35 0.54 -1.65 0.00 0.00 177.43 176.30 3a8z n ARG 114 N -3.15 3.41 -0.00 0.81 1.74 0.14 -4.90 116.66 114.71 3a8z n ARG 114 Ca 0.01 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.08 3a8z n ARG 114 Cb 0.70 -0.61 -0.00 0.00 -1.02 0.00 0.00 32.46 31.53 3a8z n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a8z n LYS 116 N -2.74 1.60 -0.35 0.00 4.81 0.39 -1.33 118.16 120.53 3a8z n LYS 116 Ca -0.02 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 3a8z n LYS 116 Cb 0.52 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.26 3a8z n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a8z n GLY 117 N 3.51 1.92 3.98 3.14 0.00 -1.26 -4.96 105.19 111.52 3a8z n GLY 117 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 3a8z n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a8z s THR 118 N -3.22 2.26 -1.30 2.61 -4.23 -0.45 -4.96 115.64 106.36 3a8z s THR 118 Ca 0.00 -0.57 -0.16 0.00 -1.18 0.00 0.00 61.69 59.78 3a8z s THR 118 Cb 0.00 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3a8z s THR 118 CO 0.00 0.00 2.08 -0.67 -0.54 0.00 0.00 174.62 175.49 3a8z n ASP 119 N -2.75 3.77 0.30 3.99 2.03 -1.26 -4.73 116.55 117.89 3a8z n ASP 119 Ca 0.13 -2.82 0.18 0.00 0.52 0.00 0.00 54.79 52.80 3a8z n ASP 119 Cb 0.60 -1.58 0.92 0.00 -0.72 0.00 0.00 41.12 40.35 3a8z n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3a8z h VAL 120 N 4.43 0.16 0.00 5.18 -1.51 -1.90 -2.09 116.25 120.52 3a8z h VAL 120 Ca 0.51 -0.30 -0.01 0.00 -1.23 0.00 0.00 66.70 65.68 3a8z h VAL 120 Cb 0.69 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3a8z h VAL 120 CO 1.81 0.03 -0.03 -0.61 -1.23 0.00 0.00 177.57 177.54 3a8z h GLN 121 N 0.00 0.00 -0.13 5.19 -0.00 -1.88 -1.24 115.11 117.06 3a8z h GLN 121 Ca -0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.69 3a8z h GLN 121 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 3a8z h GLN 121 CO 0.00 0.03 0.12 0.00 0.00 0.00 0.00 178.83 178.98 3a8z h ALA 122 N 1.97 1.81 0.00 3.38 0.00 -1.77 -1.48 119.26 123.17 3a8z h ALA 122 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3a8z h ALA 122 Cb 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3a8z h ALA 122 CO 0.00 -0.19 -0.07 -1.49 0.00 0.00 0.00 179.25 177.50 3a8z h TRP 123 N 0.00 0.00 -0.10 0.00 4.06 -1.43 -2.92 115.95 115.55 3a8z h TRP 123 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 3a8z h TRP 123 Cb 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 3a8z h TRP 123 CO 0.00 0.07 0.00 0.44 -3.56 0.00 0.00 178.44 175.39 3a8z n ILE 124 N -3.22 0.39 -1.78 1.49 -5.35 -0.61 -4.78 119.36 105.50 3a8z n ILE 124 Ca 0.00 -0.70 -0.42 0.00 -0.27 0.00 0.00 62.75 61.37 3a8z n ILE 124 Cb 0.32 0.90 -0.02 0.00 -1.74 0.00 0.00 39.64 39.10 3a8z n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3a8z s ARG 125 N -0.78 4.14 0.00 6.28 3.52 -0.89 -2.01 118.95 129.20 3a8z s ARG 125 Ca 0.12 2.56 0.00 0.00 -0.13 0.00 0.00 55.73 58.28 3a8z s ARG 125 Cb 0.07 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 3a8z s ARG 125 CO 0.10 -0.67 0.00 0.41 -0.81 0.00 0.00 175.30 174.33 3a8z n GLY 126 N 3.03 2.74 3.73 8.12 0.00 -1.26 -5.02 105.19 116.53 3a8z n GLY 126 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3a8z n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a8z s ARG 128 N -0.20 3.19 0.00 0.00 3.52 -1.26 -5.12 118.95 119.08 3a8z s ARG 128 Ca 0.48 0.50 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 3a8z s ARG 128 Cb -0.27 -4.17 0.00 0.00 -1.56 0.00 0.00 34.95 28.95 3a8z s ARG 128 CO 0.32 -2.07 0.32 1.28 -0.81 0.00 0.00 175.30 174.35