#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a96 s VAL 2 N 0.00 5.21 0.50 3.15 1.01 -1.26 -1.37 120.40 127.65 3a96 s VAL 2 Ca 0.00 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 3a96 s VAL 2 Cb 0.00 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 3a96 s VAL 2 CO 0.00 -0.35 1.10 -0.36 0.00 0.00 0.00 175.10 175.49 3a96 s PHE 3 N 1.80 2.85 0.66 5.22 0.40 -0.26 -5.00 117.98 123.65 3a96 s PHE 3 Ca 0.07 1.56 -0.12 0.00 -0.60 0.00 0.00 56.93 57.84 3a96 s PHE 3 Cb -0.19 -3.22 -0.01 0.00 0.51 0.00 0.00 43.02 40.12 3a96 s PHE 3 CO 0.11 -1.25 1.05 0.20 0.70 0.00 0.00 175.22 176.03 3a96 s GLY 4 N -1.77 1.77 0.09 4.36 0.00 -1.26 -4.84 107.32 105.67 3a96 s GLY 4 Ca 0.69 0.13 -0.35 0.00 0.00 0.00 0.00 44.72 45.19 3a96 s GLY 4 CO 0.26 0.44 1.58 -0.09 0.00 0.00 0.00 173.10 175.28 3a96 h ARG 5 N -0.41 -0.92 -0.31 2.90 2.43 -1.97 -0.92 114.38 115.17 3a96 h ARG 5 Ca -0.44 0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.74 3a96 h ARG 5 Cb 1.21 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.95 3a96 h ARG 5 CO 0.57 -0.62 -0.03 0.00 -1.51 0.00 0.00 179.97 178.39 3a96 h GLU 7 N 0.47 0.20 -0.43 0.00 4.81 -1.91 -0.37 114.58 117.34 3a96 h GLU 7 Ca 0.10 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 3a96 h GLU 7 Cb 0.35 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3a96 h GLU 7 CO 0.01 0.13 -0.04 1.25 -0.73 0.00 0.00 179.01 179.63 3a96 h LEU 8 N 0.21 0.78 -0.53 1.64 5.85 -0.78 -1.64 115.31 120.83 3a96 h LEU 8 Ca 0.15 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.60 3a96 h LEU 8 Cb 0.15 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3a96 h LEU 8 CO -0.18 0.93 0.23 0.00 -0.34 0.00 0.00 178.44 179.08 3a96 h ALA 9 N 0.88 0.68 -0.36 1.25 0.00 -0.94 0.19 119.26 120.97 3a96 h ALA 9 Ca 0.12 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3a96 h ALA 9 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3a96 h ALA 9 CO 0.03 -0.14 0.23 0.00 0.00 0.00 0.00 179.25 179.36 3a96 h ALA 10 N 1.32 0.45 -0.61 0.00 0.00 -0.93 -0.51 119.26 118.98 3a96 h ALA 10 Ca 0.25 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 3a96 h ALA 10 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3a96 h ALA 10 CO -0.21 -0.11 0.03 0.00 0.00 0.00 0.00 179.25 178.96 3a96 h ALA 11 N 1.14 0.82 -0.45 0.00 0.00 -0.65 -0.81 119.26 119.32 3a96 h ALA 11 Ca 0.13 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3a96 h ALA 11 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3a96 h ALA 11 CO -0.04 0.65 0.10 0.52 0.00 0.00 0.00 179.25 180.47 3a96 h MET 12 N 0.97 0.73 -0.33 0.00 2.86 -0.48 -2.00 114.93 116.68 3a96 h MET 12 Ca 0.18 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3a96 h MET 12 Cb 0.53 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3a96 h MET 12 CO 0.03 0.74 0.19 -0.22 1.06 0.00 0.00 176.91 178.70 3a96 h LYS 13 N 0.60 0.37 -0.69 1.72 3.64 -0.89 -2.13 116.57 119.20 3a96 h LYS 13 Ca 0.14 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3a96 h LYS 13 Cb 0.35 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 3a96 h LYS 13 CO 0.00 0.25 0.45 -0.09 -2.27 0.00 0.00 179.45 177.79 3a96 h ARG 14 N 0.38 0.75 -0.32 1.90 2.43 -0.96 -1.37 114.38 117.20 3a96 h ARG 14 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3a96 h ARG 14 Cb 0.01 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3a96 h ARG 14 CO -0.06 0.50 0.00 0.72 -1.51 0.00 0.00 179.97 179.61 3a96 n HIS 15 N -4.47 0.42 -0.67 2.20 8.25 -0.77 -4.93 115.22 115.25 3a96 n HIS 15 Ca 0.09 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3a96 n HIS 15 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 3a96 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a96 n GLY 16 N 1.03 0.60 0.18 -1.41 0.00 -0.52 -4.96 105.19 100.11 3a96 n GLY 16 Ca 0.12 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.65 3a96 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a96 h LEU 17 N 0.00 0.00 -9.01 0.99 3.38 -1.59 -3.39 115.31 105.69 3a96 h LEU 17 Ca 0.00 -0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 3a96 h LEU 17 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3a96 h LEU 17 CO 0.00 0.00 1.30 -0.62 0.09 0.00 0.00 178.44 179.21 3a96 s ASP 18 N -5.87 5.95 -1.58 -0.43 2.15 -1.26 -1.33 116.67 114.29 3a96 s ASP 18 Ca 0.05 1.75 0.00 0.00 0.43 0.00 0.00 52.55 54.78 3a96 s ASP 18 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 3a96 s ASP 18 CO 0.71 -1.59 0.00 0.59 -0.17 0.00 0.00 175.17 174.71 3a96 n ASN 19 N 9.92 -4.83 -4.71 -0.34 4.13 0.11 -4.88 115.26 114.66 3a96 n ASN 19 Ca 0.24 0.30 -0.42 0.00 1.68 0.00 0.00 54.58 56.38 3a96 n ASN 19 Cb 0.45 -3.74 -0.03 0.00 -1.54 0.00 0.00 39.78 34.92 3a96 n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3a96 s TYR 20 N -2.62 3.12 -0.62 3.10 5.04 -0.44 -1.12 117.35 123.81 3a96 s TYR 20 Ca 0.00 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 3a96 s TYR 20 Cb 0.00 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.59 3a96 s TYR 20 CO 0.00 -2.60 0.00 0.54 -1.34 0.00 0.00 175.55 172.15 3a96 n ARG 21 N 4.23 -2.54 -0.60 4.97 5.12 -1.26 -1.63 116.66 124.96 3a96 n ARG 21 Ca 0.12 0.35 0.00 0.00 -1.93 0.00 0.00 57.85 56.40 3a96 n ARG 21 Cb 0.42 -4.91 0.00 0.00 -1.16 0.00 0.00 32.46 26.81 3a96 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a96 n GLY 22 N -0.68 0.75 3.51 -0.13 0.00 -0.27 -5.03 105.19 103.33 3a96 n GLY 22 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3a96 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a96 s TYR 23 N -2.56 3.18 0.75 1.61 2.02 -0.64 -4.87 117.35 116.83 3a96 s TYR 23 Ca 0.00 -0.24 -0.15 0.00 -0.37 0.00 0.00 57.07 56.31 3a96 s TYR 23 Cb 0.00 -2.83 0.05 0.00 -0.40 0.00 0.00 41.96 38.78 3a96 s TYR 23 CO 0.00 -0.61 1.23 -1.54 -1.57 0.00 0.00 175.55 173.06 3a96 s SER 24 N 1.78 3.97 0.30 2.29 1.04 -1.26 -0.71 113.70 121.11 3a96 s SER 24 Ca 0.12 2.44 0.06 0.00 0.48 0.00 0.00 55.95 59.06 3a96 s SER 24 Cb -0.17 -2.60 0.78 0.00 0.10 0.00 0.00 66.02 64.14 3a96 s SER 24 CO 0.13 -2.42 1.72 0.25 0.98 0.00 0.00 173.24 173.90 3a96 h LEU 25 N -0.38 0.52 -1.56 2.42 5.85 -1.90 -0.92 115.31 119.34 3a96 h LEU 25 Ca -0.48 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.45 3a96 h LEU 25 Cb 1.31 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 3a96 h LEU 25 CO 0.49 0.08 0.39 1.23 -0.34 0.00 0.00 178.44 180.29 3a96 h GLY 26 N 0.52 0.67 0.65 3.75 0.00 -1.91 -0.81 103.07 105.95 3a96 h GLY 26 Ca 0.59 -0.21 0.07 0.00 0.00 0.00 0.00 47.33 47.78 3a96 h GLY 26 CO -0.48 0.15 0.47 3.43 0.00 0.00 0.00 176.54 180.11 3a96 h ASN 27 N 0.52 0.71 -0.13 0.19 2.35 -1.39 -0.23 115.58 117.61 3a96 h ASN 27 Ca 0.26 0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.81 3a96 h ASN 27 Cb 0.34 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.61 3a96 h ASN 27 CO -0.08 0.44 -0.79 -0.50 -1.65 0.00 0.00 177.43 174.86 3a96 h TRP 28 N 0.84 1.06 -0.26 1.19 4.06 -1.26 -0.71 115.95 120.87 3a96 h TRP 28 Ca 0.36 -0.47 -0.04 0.00 2.06 0.00 0.00 58.89 60.80 3a96 h TRP 28 Cb 0.23 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 3a96 h TRP 28 CO -0.05 1.30 0.00 0.28 -3.56 0.00 0.00 178.44 176.42 3a96 h VAL 29 N 0.53 1.25 -0.46 1.49 2.07 -1.21 -1.18 116.25 118.75 3a96 h VAL 29 Ca -0.05 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.59 3a96 h VAL 29 Cb 1.42 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 3a96 h VAL 29 CO 0.16 0.28 0.26 0.00 0.02 0.00 0.00 177.57 178.30 3a96 h ALA 31 N 1.22 0.40 -0.95 0.00 0.00 -0.97 -2.48 119.26 116.48 3a96 h ALA 31 Ca 0.19 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3a96 h ALA 31 Cb 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3a96 h ALA 31 CO -0.10 -0.22 0.60 0.00 0.00 0.00 0.00 179.25 179.52 3a96 h ALA 32 N 1.18 1.20 -0.10 0.00 0.00 -0.71 0.12 119.26 120.95 3a96 h ALA 32 Ca 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3a96 h ALA 32 Cb 0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3a96 h ALA 32 CO -0.11 0.63 0.05 -0.22 0.00 0.00 0.00 179.25 179.61 3a96 h LYS 33 N 1.30 0.14 0.00 0.00 1.63 -0.63 -0.96 116.57 118.04 3a96 h LYS 33 Ca 0.34 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.09 3a96 h LYS 33 Cb -0.10 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 3a96 h LYS 33 CO -0.07 0.18 -0.31 0.74 -3.45 0.00 0.00 179.45 176.54 3a96 h PHE 34 N 0.07 0.00 0.10 1.91 0.04 -1.20 0.11 116.94 117.97 3a96 h PHE 34 Ca 0.03 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.66 3a96 h PHE 34 Cb 0.08 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.24 3a96 h PHE 34 CO -0.04 0.16 -0.65 0.93 -0.60 0.00 0.00 178.31 178.11 3a96 h GLU 35 N 0.00 0.26 0.00 1.51 4.39 -0.85 -3.42 114.58 116.47 3a96 h GLU 35 Ca -0.01 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.28 3a96 h GLU 35 Cb 1.13 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 3a96 h GLU 35 CO 0.02 1.18 0.00 -1.13 -1.16 0.00 0.00 179.01 177.92 3a96 n SER 36 N -4.22 0.35 -2.67 1.42 3.41 -0.39 -4.84 113.62 106.68 3a96 n SER 36 Ca -0.13 -0.92 -0.17 0.00 -0.26 0.00 0.00 58.87 57.40 3a96 n SER 36 Cb 0.74 0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 64.73 3a96 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3a96 n ASN 37 N -0.04 -4.39 -0.52 4.04 5.15 0.39 -1.74 115.26 118.14 3a96 n ASN 37 Ca 0.00 0.01 -0.07 0.00 -0.60 0.00 0.00 54.58 53.92 3a96 n ASN 37 Cb 0.14 -3.68 -0.03 0.00 -0.53 0.00 0.00 39.78 35.68 3a96 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3a96 n PHE 38 N -3.70 0.00 -3.50 1.20 3.72 -1.21 -4.85 117.46 109.12 3a96 n PHE 38 Ca -0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 3a96 n PHE 38 Cb 0.61 -1.49 -0.10 0.00 -0.94 0.00 0.00 39.48 37.56 3a96 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3a96 s ASN 39 N -2.88 6.07 0.55 4.37 3.84 -0.71 -1.11 114.94 125.07 3a96 s ASN 39 Ca 0.00 -0.67 0.26 0.00 0.21 0.00 0.00 52.86 52.66 3a96 s ASN 39 Cb 0.00 -2.14 1.58 0.00 -0.55 0.00 0.00 41.25 40.14 3a96 s ASN 39 CO 0.00 -0.34 2.16 0.71 -2.79 0.00 0.00 177.10 176.84 3a96 h THR 40 N 5.57 0.64 -0.08 -5.21 1.35 -1.53 -2.47 112.91 111.18 3a96 h THR 40 Ca -0.29 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3a96 h THR 40 Cb 1.14 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3a96 h THR 40 CO 0.68 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 176.01 3a96 n GLN 41 N -3.88 1.40 -1.89 4.72 6.02 -1.26 -3.95 117.38 118.54 3a96 n GLN 41 Ca -0.03 -0.59 -0.42 0.00 -0.01 0.00 0.00 57.00 55.96 3a96 n GLN 41 Cb 0.15 -1.37 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 3a96 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a96 s ALA 42 N -1.90 3.74 0.03 -1.58 0.00 -0.93 -4.79 121.76 116.32 3a96 s ALA 42 Ca 0.32 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.74 3a96 s ALA 42 Cb 0.16 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3a96 s ALA 42 CO 0.25 -0.85 -0.07 0.95 0.00 0.00 0.00 175.76 176.05 3a96 s THR 43 N 0.42 0.52 -0.10 0.00 -4.23 -1.26 -0.51 115.64 110.47 3a96 s THR 43 Ca 0.65 -0.78 -0.05 0.00 -1.18 0.00 0.00 61.69 60.33 3a96 s THR 43 Cb -0.45 -0.53 0.05 0.00 1.34 0.00 0.00 72.50 72.90 3a96 s THR 43 CO 0.40 -0.20 0.23 0.20 -0.54 0.00 0.00 174.62 174.72 3a96 s ASN 44 N -1.07 -0.17 0.12 3.99 0.01 -0.62 -4.98 114.94 112.21 3a96 s ASN 44 Ca -0.05 0.49 -0.27 0.00 -0.71 0.00 0.00 52.86 52.31 3a96 s ASN 44 Cb -0.07 0.39 -0.07 0.00 0.41 0.00 0.00 41.25 41.91 3a96 s ASN 44 CO 0.00 -0.17 0.86 -0.60 -1.51 0.00 0.00 177.10 175.68 3a96 s ARG 45 N 1.35 4.63 0.41 -0.60 6.06 -1.26 -0.51 118.95 129.04 3a96 s ARG 45 Ca -0.08 1.27 -0.01 0.00 -2.50 0.00 0.00 55.73 54.40 3a96 s ARG 45 Cb -0.11 -3.33 -0.03 0.00 0.06 0.00 0.00 34.95 31.54 3a96 s ARG 45 CO -0.08 0.35 0.65 -0.80 -2.50 0.00 0.00 175.30 172.93 3a96 s ASN 46 N -0.43 6.17 0.39 -2.12 0.01 0.34 -4.95 114.94 114.35 3a96 s ASN 46 Ca 0.41 0.56 0.09 0.00 -0.71 0.00 0.00 52.86 53.21 3a96 s ASN 46 Cb -0.23 -1.98 0.86 0.00 0.41 0.00 0.00 41.25 40.32 3a96 s ASN 46 CO 0.27 -0.49 1.98 0.71 -1.51 0.00 0.00 177.10 178.06 3a96 h THR 47 N 0.50 0.98 -0.03 1.60 1.35 -1.97 -2.03 112.91 113.32 3a96 h THR 47 Ca -0.48 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3a96 h THR 47 Cb 1.22 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3a96 h THR 47 CO 0.61 0.11 0.00 -0.90 -0.25 0.00 0.00 175.52 175.09 3a96 n ASP 48 N -4.48 0.24 0.00 5.36 5.75 -1.26 -4.87 116.55 117.29 3a96 n ASP 48 Ca 0.09 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 3a96 n ASP 48 Cb 0.26 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 3a96 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a96 n GLY 49 N 0.77 1.31 3.78 6.12 0.00 -0.76 -5.01 105.19 111.40 3a96 n GLY 49 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3a96 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a96 s SER 50 N -2.97 3.43 0.01 1.61 1.04 -1.26 -4.75 113.70 110.80 3a96 s SER 50 Ca 0.00 0.95 0.02 0.00 0.48 0.00 0.00 55.95 57.40 3a96 s SER 50 Cb 0.00 -1.51 -0.01 0.00 0.10 0.00 0.00 66.02 64.60 3a96 s SER 50 CO 0.00 -2.60 -0.08 -0.89 0.98 0.00 0.00 173.24 170.65 3a96 s THR 51 N -3.28 0.60 -0.13 2.02 2.01 -1.26 -0.51 115.64 115.10 3a96 s THR 51 Ca 0.64 -0.56 -0.08 0.00 0.31 0.00 0.00 61.69 62.00 3a96 s THR 51 Cb -0.15 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 3a96 s THR 51 CO 0.53 0.01 0.16 -1.81 -0.69 0.00 0.00 174.62 172.82 3a96 s ASP 52 N -0.61 6.39 -0.06 3.53 1.01 0.34 -1.13 116.67 126.13 3a96 s ASP 52 Ca -0.01 0.47 0.03 0.00 0.71 0.00 0.00 52.55 53.75 3a96 s ASP 52 Cb -0.05 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 41.79 3a96 s ASP 52 CO 0.00 0.35 -0.16 -0.31 0.21 0.00 0.00 175.17 175.26 3a96 s TYR 53 N -0.72 1.72 0.00 4.23 1.51 0.00 -1.59 117.35 122.49 3a96 s TYR 53 Ca 0.14 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 3a96 s TYR 53 Cb -0.12 -1.20 0.00 0.00 -0.11 0.00 0.00 41.96 40.53 3a96 s TYR 53 CO 0.04 -0.26 0.00 0.41 -1.11 0.00 0.00 175.55 174.63 3a96 n GLY 54 N 3.53 -2.21 0.33 0.71 0.00 0.33 -1.87 105.19 106.02 3a96 n GLY 54 Ca -0.21 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.24 3a96 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a96 h ILE 55 N 0.00 0.78 -0.15 -0.61 2.10 -1.71 -1.12 117.51 116.79 3a96 h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3a96 h ILE 55 Cb 0.00 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 3a96 h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 3a96 n LEU 56 N -4.34 2.90 -3.89 2.19 4.77 -1.26 -3.93 117.00 113.43 3a96 n LEU 56 Ca 0.04 -2.64 -0.26 0.00 -0.03 0.00 0.00 56.01 53.12 3a96 n LEU 56 Cb 0.38 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 3a96 n LEU 56 CO 0.34 0.66 -0.20 0.00 -1.33 0.00 0.00 177.39 176.87 3a96 n GLN 57 N -0.57 -3.27 -2.46 3.23 1.13 -0.43 -4.89 117.38 110.12 3a96 n GLN 57 Ca 0.14 0.44 -0.42 0.00 -1.94 0.00 0.00 57.00 55.22 3a96 n GLN 57 Cb 0.61 -4.55 -0.03 0.00 0.11 0.00 0.00 30.24 26.37 3a96 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3a96 s ILE 58 N -3.87 3.97 -0.03 5.09 1.01 -0.78 -4.37 121.20 122.22 3a96 s ILE 58 Ca 0.05 1.52 -0.21 0.00 0.00 0.00 0.00 60.65 62.01 3a96 s ILE 58 Cb -0.02 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 3a96 s ILE 58 CO 0.88 0.18 0.62 0.21 0.00 0.00 0.00 174.94 176.83 3a96 s ASN 59 N 0.58 6.96 0.30 3.58 3.04 -1.26 -0.82 114.94 127.32 3a96 s ASN 59 Ca 0.55 1.15 0.24 0.00 0.04 0.00 0.00 52.86 54.84 3a96 s ASN 59 Cb -0.29 -2.38 1.07 0.00 -1.54 0.00 0.00 41.25 38.11 3a96 s ASN 59 CO 0.32 0.03 1.73 0.77 -3.04 0.00 0.00 177.10 176.91 3a96 h SER 60 N 6.07 0.00 -0.68 -4.21 4.64 -1.36 -1.94 113.55 116.06 3a96 h SER 60 Ca -0.43 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.93 3a96 h SER 60 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 3a96 h SER 60 CO 0.72 0.00 0.45 -0.09 -0.87 0.00 0.00 176.83 177.04 3a96 h ARG 61 N 0.00 0.74 0.00 4.77 9.65 -1.83 -3.37 114.38 124.33 3a96 h ARG 61 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3a96 h ARG 61 Cb 0.31 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 3a96 h ARG 61 CO 0.00 0.49 -0.76 0.91 2.80 0.00 0.00 179.97 183.40 3a96 n TRP 62 N -4.47 0.00 -0.05 2.20 7.02 -1.18 -1.72 117.44 119.24 3a96 n TRP 62 Ca 0.09 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.53 3a96 n TRP 62 Cb 0.18 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.97 3a96 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3a96 n TRP 63 N -1.88 0.00 -3.97 -5.99 7.02 -0.74 -0.75 117.44 111.14 3a96 n TRP 63 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 3a96 n TRP 63 Cb 0.38 -0.54 -0.09 0.00 -2.42 0.00 0.00 31.31 28.64 3a96 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a96 s ASN 65 N -2.57 6.33 0.00 0.00 3.04 -0.24 -4.53 114.94 116.98 3a96 s ASN 65 Ca 0.01 0.38 0.03 0.00 0.04 0.00 0.00 52.86 53.32 3a96 s ASN 65 Cb 0.03 -2.19 0.05 0.00 -1.54 0.00 0.00 41.25 37.60 3a96 s ASN 65 CO -0.08 -0.02 0.81 -0.90 -3.04 0.00 0.00 177.10 173.87 3a96 n ASP 66 N 4.38 1.70 0.00 -4.21 5.68 -1.26 -0.74 116.55 122.10 3a96 n ASP 66 Ca -0.11 -1.54 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 3a96 n ASP 66 Cb 0.51 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 3a96 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a96 n GLY 67 N -0.04 0.37 1.09 6.12 0.00 -1.26 -4.80 105.19 106.66 3a96 n GLY 67 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3a96 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3a96 n ARG 68 N -1.57 0.28 -3.82 1.61 1.85 -1.26 -4.95 116.66 108.80 3a96 n ARG 68 Ca 0.00 -1.99 -0.29 0.00 -1.00 0.00 0.00 57.85 54.57 3a96 n ARG 68 Cb 0.10 -0.40 -0.13 0.00 -1.05 0.00 0.00 32.46 30.98 3a96 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3a96 s THR 69 N -0.58 2.22 0.15 8.89 2.01 -1.26 -4.85 115.64 122.22 3a96 s THR 69 Ca 0.27 -3.47 -0.34 0.00 0.31 0.00 0.00 61.69 58.46 3a96 s THR 69 Cb 0.30 -2.50 -0.15 0.00 0.01 0.00 0.00 72.50 70.15 3a96 s THR 69 CO -0.11 -0.95 1.32 -2.65 -0.69 0.00 0.00 174.62 171.54 3a96 n PRO 70 N 2.72 1.43 -0.99 4.92 -0.02 -1.26 -1.95 135.00 139.85 3a96 n PRO 70 Ca 0.14 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3a96 n PRO 70 Cb 0.35 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3a96 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a96 n GLY 71 N 2.40 0.69 3.92 -1.23 0.00 -1.26 -5.00 105.19 104.71 3a96 n GLY 71 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 3a96 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a96 s SER 72 N -2.42 4.32 0.47 1.61 1.04 -0.82 -5.07 113.70 112.83 3a96 s SER 72 Ca 0.00 0.57 0.06 0.00 0.48 0.00 0.00 55.95 57.05 3a96 s SER 72 Cb 0.00 -1.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 3a96 s SER 72 CO 0.00 -1.98 0.22 -0.13 0.98 0.00 0.00 173.24 172.33 3a96 s ARG 73 N -5.54 2.23 -0.42 4.02 1.81 -0.70 -4.99 118.95 115.37 3a96 s ARG 73 Ca 0.64 -2.00 0.08 0.00 -1.72 0.00 0.00 55.73 52.73 3a96 s ARG 73 Cb -0.09 -1.94 0.25 0.00 -0.45 0.00 0.00 34.95 32.72 3a96 s ARG 73 CO 0.48 -0.32 0.56 -1.71 -0.68 0.00 0.00 175.30 173.63 3a96 n ASN 74 N -1.41 0.63 0.23 0.23 5.15 -1.16 -3.59 115.26 115.35 3a96 n ASN 74 Ca -0.05 -2.80 0.12 0.00 -0.60 0.00 0.00 54.58 51.25 3a96 n ASN 74 Cb 0.65 -0.64 0.46 0.00 -0.53 0.00 0.00 39.78 39.71 3a96 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3a96 h LEU 75 N 3.97 0.00 -0.83 1.20 3.38 -0.89 -1.84 115.31 120.30 3a96 h LEU 75 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3a96 h LEU 75 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3a96 h LEU 75 CO 0.51 0.16 -0.05 0.00 0.09 0.00 0.00 178.44 179.15 3a96 n ASN 77 N -0.04 -1.26 -3.93 0.00 3.02 -0.69 -4.99 115.26 107.36 3a96 n ASN 77 Ca 0.18 -0.83 -0.10 0.00 -0.03 0.00 0.00 54.58 53.80 3a96 n ASN 77 Cb 0.34 -4.02 -0.10 0.00 -0.61 0.00 0.00 39.78 35.39 3a96 n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3a96 s ILE 78 N -3.68 0.11 0.43 2.41 -4.36 -1.26 -5.07 121.20 109.79 3a96 s ILE 78 Ca 0.02 -0.94 -0.24 0.00 -0.26 0.00 0.00 60.65 59.23 3a96 s ILE 78 Cb -0.00 -0.59 -0.08 0.00 1.25 0.00 0.00 42.46 43.03 3a96 s ILE 78 CO 0.81 -0.52 1.17 -2.16 0.24 0.00 0.00 174.94 174.49 3a96 s PRO 79 N -1.94 3.91 0.53 0.37 0.04 -1.26 -1.08 135.00 135.57 3a96 s PRO 79 Ca -0.11 1.81 0.18 0.00 0.04 0.00 0.00 61.00 62.92 3a96 s PRO 79 Cb -0.05 -2.55 1.33 0.00 0.04 0.00 0.00 34.50 33.27 3a96 s PRO 79 CO -0.02 -0.43 2.14 0.00 0.04 0.00 0.00 177.00 178.73 3a96 h SER 81 N 0.00 0.00 -0.08 0.00 4.64 -1.91 -0.28 113.55 115.93 3a96 h SER 81 Ca 0.03 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.38 3a96 h SER 81 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3a96 h SER 81 CO -0.00 0.00 0.11 0.00 -0.87 0.00 0.00 176.83 176.07 3a96 h ALA 82 N 1.96 1.55 -0.00 5.18 0.00 -1.67 -1.21 119.26 125.07 3a96 h ALA 82 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3a96 h ALA 82 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3a96 h ALA 82 CO -0.00 -0.15 -0.02 1.28 0.00 0.00 0.00 179.25 180.36 3a96 n LEU 83 N -3.64 0.07 -0.75 0.00 4.77 -0.11 -3.40 117.00 113.94 3a96 n LEU 83 Ca -0.01 0.22 0.10 0.00 -0.03 0.00 0.00 56.01 56.29 3a96 n LEU 83 Cb 0.20 -0.25 0.07 0.00 -2.33 0.00 0.00 43.42 41.11 3a96 n LEU 83 CO 0.25 0.01 0.53 0.18 -1.33 0.00 0.00 177.39 177.03 3a96 n LEU 84 N -1.22 2.54 -4.74 2.23 4.77 -0.46 -3.88 117.00 116.25 3a96 n LEU 84 Ca 0.15 -0.97 -0.34 0.00 -0.03 0.00 0.00 56.01 54.81 3a96 n LEU 84 Cb 0.24 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 3a96 n LEU 84 CO 0.23 0.44 0.80 -0.55 -1.33 0.00 0.00 177.39 176.98 3a96 s SER 85 N -1.71 4.69 0.59 -1.43 0.15 -1.22 -4.07 113.70 110.69 3a96 s SER 85 Ca 0.22 2.28 0.37 0.00 0.70 0.00 0.00 55.95 59.52 3a96 s SER 85 Cb 0.16 -2.58 1.72 0.00 -1.71 0.00 0.00 66.02 63.61 3a96 s SER 85 CO 0.28 -1.93 2.12 0.77 1.20 0.00 0.00 173.24 175.68 3a96 h SER 86 N 0.12 0.00 -3.59 5.45 4.64 -1.94 -3.40 113.55 114.83 3a96 h SER 86 Ca -0.48 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.22 3a96 h SER 86 Cb 1.28 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.24 3a96 h SER 86 CO 0.52 0.02 -0.00 -0.62 -0.87 0.00 0.00 176.83 175.87 3a96 s ASP 87 N -5.57 6.42 0.00 4.97 -1.08 -1.26 -4.95 116.67 115.20 3a96 s ASP 87 Ca -0.01 0.44 0.18 0.00 -0.52 0.00 0.00 52.55 52.65 3a96 s ASP 87 Cb 0.11 -2.28 0.96 0.00 -1.46 0.00 0.00 42.92 40.25 3a96 s ASP 87 CO 0.51 -0.33 1.64 2.30 0.52 0.00 0.00 175.17 179.80 3a96 n ILE 88 N 5.22 0.06 -0.11 4.11 -5.35 -1.26 -4.36 119.36 117.67 3a96 n ILE 88 Ca -0.04 -0.10 -0.07 0.00 -0.27 0.00 0.00 62.75 62.27 3a96 n ILE 88 Cb 0.50 -0.10 -0.01 0.00 -1.74 0.00 0.00 39.64 38.29 3a96 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3a96 h THR 89 N 0.62 0.28 -0.64 7.28 2.02 -1.94 0.01 112.91 120.55 3a96 h THR 89 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3a96 h THR 89 Cb 0.14 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 3a96 h THR 89 CO 0.00 0.00 0.40 0.00 0.37 0.00 0.00 175.52 176.29 3a96 h ALA 90 N 0.86 0.81 -0.26 6.16 0.00 -1.84 -0.50 119.26 124.50 3a96 h ALA 90 Ca 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3a96 h ALA 90 Cb 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3a96 h ALA 90 CO -0.51 0.27 0.16 0.77 0.00 0.00 0.00 179.25 179.94 3a96 h SER 91 N 0.87 0.32 -0.13 0.00 0.02 -1.66 -1.42 113.55 111.55 3a96 h SER 91 Ca 0.23 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3a96 h SER 91 Cb -0.05 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3a96 h SER 91 CO -0.05 0.27 0.04 0.58 -1.14 0.00 0.00 176.83 176.53 3a96 h VAL 92 N 0.34 1.19 -0.77 2.27 2.07 -0.68 0.12 116.25 120.78 3a96 h VAL 92 Ca 0.10 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3a96 h VAL 92 Cb 0.01 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3a96 h VAL 92 CO -0.02 0.17 0.38 0.78 0.02 0.00 0.00 177.57 178.91 3a96 h ASN 93 N 0.01 0.99 -0.33 0.57 2.35 -1.00 -0.37 115.58 117.82 3a96 h ASN 93 Ca 0.04 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 3a96 h ASN 93 Cb 0.24 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3a96 h ASN 93 CO -0.00 0.83 -0.18 0.00 -1.65 0.00 0.00 177.43 176.43 3a96 h ALA 95 N 0.77 1.62 -0.68 0.00 0.00 0.01 -1.31 119.26 119.67 3a96 h ALA 95 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a96 h ALA 95 Cb 0.72 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3a96 h ALA 95 CO 0.05 0.17 0.42 0.87 0.00 0.00 0.00 179.25 180.77 3a96 h LYS 96 N 0.90 0.92 -0.58 0.00 1.57 -0.96 -0.79 116.57 117.63 3a96 h LYS 96 Ca 0.44 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 59.10 3a96 h LYS 96 Cb 0.45 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3a96 h LYS 96 CO -0.20 0.64 0.22 -0.22 -0.57 0.00 0.00 179.45 179.33 3a96 h LYS 97 N 0.93 0.88 0.03 3.15 3.64 -1.19 -2.73 116.57 121.28 3a96 h LYS 97 Ca 0.25 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3a96 h LYS 97 Cb -0.05 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3a96 h LYS 97 CO -0.05 0.76 -0.01 0.82 -2.27 0.00 0.00 179.45 178.70 3a96 h ILE 98 N 0.81 1.02 0.00 2.00 2.04 -0.81 -2.59 117.51 119.98 3a96 h ILE 98 Ca 0.19 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3a96 h ILE 98 Cb 0.22 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3a96 h ILE 98 CO -0.01 0.04 0.00 1.62 0.00 0.00 0.00 178.15 179.79 3a96 h VAL 99 N -0.10 0.00 -0.01 1.67 3.04 -1.18 -1.32 116.25 118.35 3a96 h VAL 99 Ca -0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3a96 h VAL 99 Cb 0.09 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 3a96 h VAL 99 CO 0.01 0.00 -0.04 -1.20 -1.01 0.00 0.00 177.57 175.33 3a96 n SER 100 N -2.59 1.45 0.29 3.17 7.64 -0.98 -3.56 113.62 119.04 3a96 n SER 100 Ca 0.01 -1.42 0.17 0.00 1.01 0.00 0.00 58.87 58.64 3a96 n SER 100 Cb 0.21 0.02 0.89 0.00 -1.01 0.00 0.00 64.21 64.32 3a96 n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 3a96 h ASP 101 N 2.22 0.00 0.00 6.43 1.82 -1.15 -3.47 116.42 122.28 3a96 h ASP 101 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3a96 h ASP 101 Cb 0.51 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.52 3a96 h ASP 101 CO 0.00 0.04 0.00 0.61 -1.61 0.00 0.00 179.24 178.28 3a96 n GLY 102 N -0.63 2.27 1.06 -0.78 0.00 -1.26 -4.95 105.19 100.89 3a96 n GLY 102 Ca -0.02 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.55 3a96 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a96 n ASN 103 N 0.00 3.81 0.00 1.61 3.02 -1.26 -5.06 115.26 117.38 3a96 n ASN 103 Ca 0.00 -2.35 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 3a96 n ASN 103 Cb 0.00 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 3a96 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a96 n GLY 104 N 0.62 2.18 0.00 7.41 0.00 -1.23 -1.94 105.19 112.22 3a96 n GLY 104 Ca 0.19 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.92 3a96 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a96 n MET 105 N 9.58 0.81 0.24 1.61 2.81 -1.26 -3.34 117.12 127.58 3a96 n MET 105 Ca 0.00 0.00 0.17 0.00 -1.81 0.00 0.00 57.70 56.06 3a96 n MET 105 Cb 0.00 -1.50 0.83 0.00 -0.71 0.00 0.00 33.22 31.84 3a96 n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3a96 h ASN 106 N 0.00 0.00 -0.66 7.83 2.35 -1.81 -1.39 115.58 121.90 3a96 h ASN 106 Ca 0.00 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 55.91 3a96 h ASN 106 Cb 0.01 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 3a96 h ASN 106 CO 0.00 0.00 0.46 0.00 -1.65 0.00 0.00 177.43 176.24 3a96 h ALA 107 N 2.04 2.33 -2.12 -0.83 0.00 -1.71 -3.36 119.26 115.61 3a96 h ALA 107 Ca 0.00 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 3a96 h ALA 107 Cb 0.15 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.75 3a96 h ALA 107 CO 0.00 -0.51 0.03 -1.58 0.00 0.00 0.00 179.25 177.19 3a96 s TRP 108 N -5.21 3.06 0.31 0.00 0.51 -0.52 -4.93 118.94 112.16 3a96 s TRP 108 Ca -0.06 -0.51 -0.00 0.00 -2.12 0.00 0.00 56.10 53.41 3a96 s TRP 108 Cb 0.20 -3.48 0.50 0.00 -0.81 0.00 0.00 33.47 29.88 3a96 s TRP 108 CO 0.75 -1.00 1.92 0.28 -0.51 0.00 0.00 176.95 178.40 3a96 h VAL 109 N 5.85 1.20 -0.31 4.03 2.07 -1.84 -1.11 116.25 126.14 3a96 h VAL 109 Ca -0.27 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 3a96 h VAL 109 Cb 1.10 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3a96 h VAL 109 CO 0.95 0.23 -0.09 0.00 0.02 0.00 0.00 177.57 178.68 3a96 h ALA 110 N 1.47 1.26 0.23 1.67 0.00 -1.93 0.42 119.26 122.38 3a96 h ALA 110 Ca 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3a96 h ALA 110 Cb 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3a96 h ALA 110 CO -0.03 0.49 -0.14 2.35 0.00 0.00 0.00 179.25 181.92 3a96 h TRP 111 N 0.49 -0.35 -0.58 0.00 7.01 -1.53 0.58 115.95 121.56 3a96 h TRP 111 Ca 0.09 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.13 3a96 h TRP 111 Cb 0.46 0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.60 3a96 h TRP 111 CO 0.02 -0.21 0.33 -0.09 -2.79 0.00 0.00 178.44 175.69 3a96 h ARG 112 N -0.35 0.62 0.00 2.65 2.43 -0.78 0.61 114.38 119.57 3a96 h ARG 112 Ca -0.02 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 3a96 h ARG 112 Cb 0.29 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3a96 h ARG 112 CO 0.03 0.41 -0.41 -0.91 -1.51 0.00 0.00 179.97 177.59 3a96 h ASN 113 N 0.64 0.00 0.00 -3.80 2.35 -0.89 -3.37 115.58 110.51 3a96 h ASN 113 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3a96 h ASN 113 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3a96 h ASN 113 CO -0.13 0.41 -0.49 0.54 -1.65 0.00 0.00 177.43 176.11 3a96 n ARG 114 N -3.23 2.85 -0.00 0.81 1.74 0.19 -4.89 116.66 114.13 3a96 n ARG 114 Ca 0.02 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.10 3a96 n ARG 114 Cb 0.68 -0.70 -0.00 0.00 -1.02 0.00 0.00 32.46 31.41 3a96 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a96 n LYS 116 N -2.60 2.02 -0.35 0.00 4.81 -0.00 -1.11 118.16 120.94 3a96 n LYS 116 Ca -0.01 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 3a96 n LYS 116 Cb 0.51 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 33.05 3a96 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a96 n GLY 117 N 3.63 2.10 3.97 3.14 0.00 -1.26 -4.97 105.19 111.79 3a96 n GLY 117 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 3a96 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a96 s THR 118 N -3.28 2.24 -1.35 2.61 -4.23 -0.26 -4.96 115.64 106.42 3a96 s THR 118 Ca 0.00 -0.46 -0.16 0.00 -1.18 0.00 0.00 61.69 59.89 3a96 s THR 118 Cb 0.00 -2.78 0.03 0.00 1.34 0.00 0.00 72.50 71.09 3a96 s THR 118 CO 0.00 0.00 2.05 -0.67 -0.54 0.00 0.00 174.62 175.46 3a96 n ASP 119 N -2.88 4.04 0.28 3.99 2.03 -1.26 -4.74 116.55 118.01 3a96 n ASP 119 Ca 0.12 -2.84 0.18 0.00 0.52 0.00 0.00 54.79 52.77 3a96 n ASP 119 Cb 0.60 -1.64 0.82 0.00 -0.72 0.00 0.00 41.12 40.18 3a96 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3a96 h VAL 120 N 4.58 0.00 0.00 5.18 -1.51 -1.91 -2.53 116.25 120.06 3a96 h VAL 120 Ca 0.51 -0.33 -0.00 0.00 -1.23 0.00 0.00 66.70 65.65 3a96 h VAL 120 Cb 0.72 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 3a96 h VAL 120 CO 1.75 0.00 -0.01 -0.61 -1.23 0.00 0.00 177.57 177.47 3a96 h GLN 121 N 0.00 0.00 -0.65 5.19 -0.00 -1.89 -1.43 115.11 116.33 3a96 h GLN 121 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.65 58.83 3a96 h GLN 121 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.79 3a96 h GLN 121 CO 0.00 0.01 0.46 0.00 0.00 0.00 0.00 178.83 179.30 3a96 h ALA 122 N 1.99 2.53 0.00 3.38 0.00 -1.86 -1.58 119.26 123.73 3a96 h ALA 122 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a96 h ALA 122 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3a96 h ALA 122 CO 0.00 -0.72 0.00 -1.49 0.00 0.00 0.00 179.25 177.04 3a96 h TRP 123 N 0.06 0.00 -0.03 0.00 4.06 -1.47 -2.87 115.95 115.69 3a96 h TRP 123 Ca 0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.26 3a96 h TRP 123 Cb 1.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 3a96 h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 3a96 n ILE 124 N -2.46 0.50 -1.64 1.49 -5.35 -0.62 -4.82 119.36 106.47 3a96 n ILE 124 Ca 0.02 -0.75 -0.49 0.00 -0.27 0.00 0.00 62.75 61.26 3a96 n ILE 124 Cb 0.24 0.77 -0.05 0.00 -1.74 0.00 0.00 39.64 38.86 3a96 n ILE 124 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3a96 n ARG 125 N -0.11 1.74 -0.85 6.28 5.12 -1.05 -2.25 116.66 125.54 3a96 n ARG 125 Ca 0.02 0.63 0.00 0.00 -1.93 0.00 0.00 57.85 56.57 3a96 n ARG 125 Cb 0.16 -2.35 0.00 0.00 -1.16 0.00 0.00 32.46 29.11 3a96 n ARG 125 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a96 n GLY 126 N 3.20 1.13 3.78 -0.13 0.00 -1.26 -5.02 105.19 106.89 3a96 n GLY 126 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3a96 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a96 s ARG 128 N -1.13 3.31 0.00 0.00 0.52 -1.26 -5.12 118.95 115.26 3a96 s ARG 128 Ca 0.36 -0.56 0.06 0.00 -0.52 0.00 0.00 55.73 55.06 3a96 s ARG 128 Cb -0.23 -4.70 0.05 0.00 0.52 0.00 0.00 34.95 30.59 3a96 s ARG 128 CO 0.26 -2.24 0.68 1.28 0.02 0.00 0.00 175.30 175.30