#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a94 s VAL 2 N 0.00 5.00 0.44 3.15 1.01 -1.26 -0.88 120.40 127.85 3a94 s VAL 2 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 3a94 s VAL 2 Cb 0.00 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 3a94 s VAL 2 CO 0.00 -0.22 1.06 -0.36 0.00 0.00 0.00 175.10 175.58 3a94 s PHE 3 N 1.64 3.11 0.68 5.22 0.40 0.02 -4.99 117.98 124.05 3a94 s PHE 3 Ca 0.04 1.60 -0.14 0.00 -0.60 0.00 0.00 56.93 57.84 3a94 s PHE 3 Cb -0.19 -3.14 0.01 0.00 0.51 0.00 0.00 43.02 40.22 3a94 s PHE 3 CO 0.09 -0.82 1.10 0.20 0.70 0.00 0.00 175.22 176.48 3a94 s GLY 4 N -1.70 2.02 0.09 4.36 0.00 -1.26 -4.84 107.32 105.99 3a94 s GLY 4 Ca 0.62 0.44 -0.31 0.00 0.00 0.00 0.00 44.72 45.48 3a94 s GLY 4 CO 0.25 0.79 1.62 -0.09 0.00 0.00 0.00 173.10 175.67 3a94 h ARG 5 N -0.23 -0.72 -0.07 2.90 2.43 -1.97 0.45 114.38 117.17 3a94 h ARG 5 Ca -0.46 0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.68 3a94 h ARG 5 Cb 1.24 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.94 3a94 h ARG 5 CO 0.54 -0.48 -0.34 0.00 -1.51 0.00 0.00 179.97 178.18 3a94 h GLU 7 N 0.11 0.50 -0.43 0.00 4.81 -1.90 -0.25 114.58 117.44 3a94 h GLU 7 Ca 0.01 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 3a94 h GLU 7 Cb 0.66 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3a94 h GLU 7 CO 0.05 0.43 -0.10 1.25 -0.73 0.00 0.00 179.01 179.90 3a94 h LEU 8 N 0.45 0.83 -0.60 1.64 5.85 -0.57 -1.88 115.31 121.03 3a94 h LEU 8 Ca 0.12 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 58.58 3a94 h LEU 8 Cb 0.08 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.80 3a94 h LEU 8 CO -0.02 1.00 0.18 0.00 -0.34 0.00 0.00 178.44 179.26 3a94 h ALA 9 N 0.86 0.74 -0.65 1.25 0.00 -0.89 0.67 119.26 121.24 3a94 h ALA 9 Ca 0.11 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3a94 h ALA 9 Cb 0.64 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3a94 h ALA 9 CO 0.04 -0.26 0.21 0.00 0.00 0.00 0.00 179.25 179.25 3a94 h ALA 10 N 1.45 0.85 -0.44 0.00 0.00 -0.83 -0.21 119.26 120.06 3a94 h ALA 10 Ca 0.31 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3a94 h ALA 10 Cb 0.42 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3a94 h ALA 10 CO -0.35 0.51 -0.26 0.00 0.00 0.00 0.00 179.25 179.15 3a94 h ALA 11 N 1.08 0.70 -0.61 0.00 0.00 -0.79 -1.20 119.26 118.44 3a94 h ALA 11 Ca 0.21 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3a94 h ALA 11 Cb 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3a94 h ALA 11 CO -0.01 0.67 0.13 0.52 0.00 0.00 0.00 179.25 180.56 3a94 h MET 12 N 0.80 0.99 -0.39 0.00 2.86 -0.68 -2.06 114.93 116.45 3a94 h MET 12 Ca 0.10 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3a94 h MET 12 Cb 0.83 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 3a94 h MET 12 CO 0.07 0.91 0.22 -0.22 1.06 0.00 0.00 176.91 178.95 3a94 h LYS 13 N 0.89 0.54 -0.25 1.72 3.64 -0.93 -1.67 116.57 120.51 3a94 h LYS 13 Ca 0.19 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3a94 h LYS 13 Cb 0.38 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3a94 h LYS 13 CO 0.01 0.43 0.09 -0.09 -2.27 0.00 0.00 179.45 177.61 3a94 h ARG 14 N 0.50 0.34 -0.32 1.90 2.43 -1.02 -1.12 114.38 117.09 3a94 h ARG 14 Ca 0.14 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3a94 h ARG 14 Cb 0.05 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3a94 h ARG 14 CO -0.02 0.30 0.00 0.72 -1.51 0.00 0.00 179.97 179.46 3a94 n HIS 15 N -4.42 0.42 -1.02 2.20 8.25 -0.79 -4.93 115.22 114.92 3a94 n HIS 15 Ca 0.01 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3a94 n HIS 15 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 3a94 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a94 n GLY 16 N 1.11 0.58 0.16 -1.41 0.00 -0.42 -4.97 105.19 100.24 3a94 n GLY 16 Ca 0.14 -0.81 0.07 0.00 0.00 0.00 0.00 46.02 45.42 3a94 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a94 h LEU 17 N 0.00 0.00 -9.06 0.99 3.38 -1.51 -3.40 115.31 105.71 3a94 h LEU 17 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3a94 h LEU 17 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3a94 h LEU 17 CO 0.00 0.24 1.35 -0.62 0.09 0.00 0.00 178.44 179.50 3a94 s ASP 18 N -6.11 5.88 -0.60 -0.43 2.15 -1.26 -1.37 116.67 114.93 3a94 s ASP 18 Ca 0.04 1.94 0.00 0.00 0.43 0.00 0.00 52.55 54.96 3a94 s ASP 18 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 3a94 s ASP 18 CO 0.73 -1.61 0.00 0.59 -0.17 0.00 0.00 175.17 174.71 3a94 n ASN 19 N 10.06 -4.26 -4.70 -0.34 4.13 -0.10 -4.88 115.26 115.17 3a94 n ASN 19 Ca 0.25 0.14 -0.42 0.00 1.68 0.00 0.00 54.58 56.23 3a94 n ASN 19 Cb 0.44 -2.27 -0.03 0.00 -1.54 0.00 0.00 39.78 36.39 3a94 n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3a94 s TYR 20 N -2.02 2.65 -0.98 3.10 5.04 -0.47 -1.02 117.35 123.64 3a94 s TYR 20 Ca 0.00 0.48 -0.01 0.00 -2.44 0.00 0.00 57.07 55.10 3a94 s TYR 20 Cb 0.00 -3.90 0.01 0.00 0.35 0.00 0.00 41.96 38.42 3a94 s TYR 20 CO 0.00 -3.50 0.07 0.54 -1.34 0.00 0.00 175.55 171.31 3a94 n ARG 21 N 5.17 -2.48 -0.90 4.97 5.12 -1.26 -1.63 116.66 125.64 3a94 n ARG 21 Ca 0.15 0.52 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 3a94 n ARG 21 Cb 0.41 -5.13 0.00 0.00 -1.16 0.00 0.00 32.46 26.58 3a94 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a94 n GLY 22 N -0.83 0.67 3.53 -0.13 0.00 -0.19 -5.03 105.19 103.21 3a94 n GLY 22 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3a94 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a94 s TYR 23 N -2.53 3.21 0.77 1.61 2.02 -0.65 -4.88 117.35 116.90 3a94 s TYR 23 Ca 0.00 -0.09 -0.14 0.00 -0.37 0.00 0.00 57.07 56.48 3a94 s TYR 23 Cb 0.00 -2.69 0.06 0.00 -0.40 0.00 0.00 41.96 38.93 3a94 s TYR 23 CO 0.00 -0.47 1.19 -1.54 -1.57 0.00 0.00 175.55 173.16 3a94 s SER 24 N 1.74 3.94 0.34 2.29 1.04 -1.26 -0.92 113.70 120.86 3a94 s SER 24 Ca 0.11 2.29 0.11 0.00 0.48 0.00 0.00 55.95 58.94 3a94 s SER 24 Cb -0.17 -2.58 0.89 0.00 0.10 0.00 0.00 66.02 64.26 3a94 s SER 24 CO 0.12 -2.43 1.78 0.25 0.98 0.00 0.00 173.24 173.94 3a94 h LEU 25 N -0.68 0.65 -1.76 2.42 5.85 -1.90 -0.84 115.31 119.04 3a94 h LEU 25 Ca -0.46 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.36 3a94 h LEU 25 Cb 1.29 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3a94 h LEU 25 CO 0.48 0.20 0.19 1.23 -0.34 0.00 0.00 178.44 180.20 3a94 h GLY 26 N 0.61 0.35 1.01 3.75 0.00 -1.91 -1.26 103.07 105.63 3a94 h GLY 26 Ca 0.57 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.78 3a94 h GLY 26 CO -0.35 0.12 0.37 3.43 0.00 0.00 0.00 176.54 180.12 3a94 h ASN 27 N 0.33 0.64 -0.41 0.19 2.35 -1.37 -0.64 115.58 116.67 3a94 h ASN 27 Ca 0.11 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 3a94 h ASN 27 Cb 0.03 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3a94 h ASN 27 CO -0.02 0.47 -0.33 -0.50 -1.65 0.00 0.00 177.43 175.39 3a94 h TRP 28 N 0.76 1.12 -0.36 1.19 4.06 -1.33 -0.97 115.95 120.42 3a94 h TRP 28 Ca 0.21 -0.32 -0.10 0.00 2.06 0.00 0.00 58.89 60.74 3a94 h TRP 28 Cb -0.09 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 27.82 3a94 h TRP 28 CO -0.04 1.14 -0.18 0.28 -3.56 0.00 0.00 178.44 176.09 3a94 h VAL 29 N 0.79 1.29 -0.49 1.49 2.07 -1.20 -1.48 116.25 118.72 3a94 h VAL 29 Ca 0.08 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3a94 h VAL 29 Cb 0.92 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3a94 h VAL 29 CO 0.09 0.43 0.32 0.00 0.02 0.00 0.00 177.57 178.42 3a94 h ALA 31 N 1.17 0.64 -0.49 0.00 0.00 -1.05 -2.34 119.26 117.20 3a94 h ALA 31 Ca 0.18 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3a94 h ALA 31 Cb -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3a94 h ALA 31 CO -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.21 3a94 h ALA 32 N 1.22 1.08 -0.05 0.00 0.00 -0.89 0.09 119.26 120.72 3a94 h ALA 32 Ca 0.20 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3a94 h ALA 32 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3a94 h ALA 32 CO -0.09 0.58 -0.03 -0.22 0.00 0.00 0.00 179.25 179.49 3a94 h LYS 33 N 0.76 -0.03 0.00 0.00 1.63 -0.55 -1.27 116.57 117.11 3a94 h LYS 33 Ca 0.15 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 3a94 h LYS 33 Cb 0.46 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.09 3a94 h LYS 33 CO 0.02 -0.02 -0.35 0.74 -3.45 0.00 0.00 179.45 176.39 3a94 h PHE 34 N -0.03 0.00 0.10 1.91 0.04 -1.27 0.42 116.94 118.11 3a94 h PHE 34 Ca 0.03 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.59 3a94 h PHE 34 Cb 0.07 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.24 3a94 h PHE 34 CO -0.13 0.06 -0.86 0.93 -0.60 0.00 0.00 178.31 177.71 3a94 h GLU 35 N 0.00 0.40 0.00 1.51 4.39 -0.90 -3.43 114.58 116.56 3a94 h GLU 35 Ca -0.01 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.12 3a94 h GLU 35 Cb 1.05 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3a94 h GLU 35 CO 0.01 1.24 0.00 -1.13 -1.16 0.00 0.00 179.01 177.96 3a94 n SER 36 N -4.07 0.15 -2.97 1.42 3.41 -0.50 -4.85 113.62 106.20 3a94 n SER 36 Ca -0.13 -0.81 -0.21 0.00 -0.26 0.00 0.00 58.87 57.46 3a94 n SER 36 Cb 0.82 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.82 3a94 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3a94 n ASN 37 N -0.04 -5.05 -0.96 4.04 5.15 0.14 -1.84 115.26 116.70 3a94 n ASN 37 Ca 0.00 -0.22 -0.12 0.00 -0.60 0.00 0.00 54.58 53.64 3a94 n ASN 37 Cb 0.16 -4.14 -0.05 0.00 -0.53 0.00 0.00 39.78 35.22 3a94 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3a94 n PHE 38 N -4.12 -0.01 -3.54 1.20 3.72 -1.19 -4.83 117.46 108.68 3a94 n PHE 38 Ca -0.10 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.89 3a94 n PHE 38 Cb 0.60 -2.28 -0.11 0.00 -0.94 0.00 0.00 39.48 36.76 3a94 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3a94 s ASN 39 N -2.86 5.95 0.58 4.37 3.84 -0.76 -0.80 114.94 125.26 3a94 s ASN 39 Ca 0.00 -0.66 0.33 0.00 0.21 0.00 0.00 52.86 52.75 3a94 s ASN 39 Cb 0.00 -2.11 1.77 0.00 -0.55 0.00 0.00 41.25 40.37 3a94 s ASN 39 CO 0.00 -0.31 2.18 0.71 -2.79 0.00 0.00 177.10 176.88 3a94 h THR 40 N 5.61 0.33 -0.14 -5.21 1.35 -1.32 -2.54 112.91 110.99 3a94 h THR 40 Ca -0.29 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3a94 h THR 40 Cb 1.14 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3a94 h THR 40 CO 0.66 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.98 3a94 n GLN 41 N -3.45 1.71 -1.85 4.72 6.02 -1.26 -4.04 117.38 119.22 3a94 n GLN 41 Ca -0.02 -1.06 -0.42 0.00 -0.01 0.00 0.00 57.00 55.50 3a94 n GLN 41 Cb 0.17 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.01 3a94 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a94 s ALA 42 N -1.82 3.77 0.03 -1.58 0.00 -0.96 -4.81 121.76 116.39 3a94 s ALA 42 Ca 0.33 1.49 0.02 0.00 0.00 0.00 0.00 51.96 53.80 3a94 s ALA 42 Cb 0.18 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3a94 s ALA 42 CO 0.27 -0.88 -0.08 0.95 0.00 0.00 0.00 175.76 176.02 3a94 s THR 43 N 0.44 0.59 -0.14 0.00 -4.23 -1.26 -0.56 115.64 110.48 3a94 s THR 43 Ca 0.66 -0.88 -0.08 0.00 -1.18 0.00 0.00 61.69 60.20 3a94 s THR 43 Cb -0.46 -0.60 0.05 0.00 1.34 0.00 0.00 72.50 72.83 3a94 s THR 43 CO 0.41 -0.22 0.34 0.20 -0.54 0.00 0.00 174.62 174.81 3a94 s ASN 44 N -1.21 -0.41 0.08 3.99 0.01 -0.66 -4.98 114.94 111.77 3a94 s ASN 44 Ca -0.06 0.74 -0.27 0.00 -0.71 0.00 0.00 52.86 52.56 3a94 s ASN 44 Cb -0.08 0.63 -0.06 0.00 0.41 0.00 0.00 41.25 42.16 3a94 s ASN 44 CO 0.00 -0.17 0.85 -0.60 -1.51 0.00 0.00 177.10 175.67 3a94 s ARG 45 N 1.19 4.59 0.43 -0.60 6.06 -1.26 -0.42 118.95 128.94 3a94 s ARG 45 Ca -0.08 1.24 -0.02 0.00 -2.50 0.00 0.00 55.73 54.37 3a94 s ARG 45 Cb -0.08 -3.36 -0.02 0.00 0.06 0.00 0.00 34.95 31.54 3a94 s ARG 45 CO -0.10 0.28 0.67 -0.80 -2.50 0.00 0.00 175.30 172.86 3a94 s ASN 46 N -0.14 6.11 0.33 -2.12 0.01 0.43 -4.95 114.94 114.61 3a94 s ASN 46 Ca 0.42 0.56 0.02 0.00 -0.71 0.00 0.00 52.86 53.14 3a94 s ASN 46 Cb -0.22 -1.93 0.60 0.00 0.41 0.00 0.00 41.25 40.11 3a94 s ASN 46 CO 0.26 -0.54 1.96 0.71 -1.51 0.00 0.00 177.10 177.99 3a94 h THR 47 N 0.44 1.11 0.00 1.60 1.35 -1.97 -2.46 112.91 112.98 3a94 h THR 47 Ca -0.48 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3a94 h THR 47 Cb 1.23 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 3a94 h THR 47 CO 0.60 0.17 0.00 -0.90 -0.25 0.00 0.00 175.52 175.14 3a94 n ASP 48 N -4.45 0.00 0.00 5.36 5.75 -1.26 -4.86 116.55 117.09 3a94 n ASP 48 Ca 0.10 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 53.99 3a94 n ASP 48 Cb 0.13 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3a94 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a94 n GLY 49 N 0.64 0.57 3.81 6.12 0.00 -0.93 -5.02 105.19 110.38 3a94 n GLY 49 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3a94 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a94 s SER 50 N -1.86 3.76 0.02 1.61 1.04 -1.26 -4.77 113.70 112.23 3a94 s SER 50 Ca 0.00 0.97 0.03 0.00 0.48 0.00 0.00 55.95 57.43 3a94 s SER 50 Cb 0.00 -1.55 -0.01 0.00 0.10 0.00 0.00 66.02 64.56 3a94 s SER 50 CO 0.00 -2.40 -0.09 -0.89 0.98 0.00 0.00 173.24 170.85 3a94 s THR 51 N -3.31 0.67 -0.11 2.02 2.01 -1.26 -0.43 115.64 115.23 3a94 s THR 51 Ca 0.63 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.86 3a94 s THR 51 Cb -0.14 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 3a94 s THR 51 CO 0.53 -0.03 0.23 -1.81 -0.69 0.00 0.00 174.62 172.85 3a94 s ASP 52 N -0.77 6.48 -0.06 3.53 1.01 0.44 -0.97 116.67 126.32 3a94 s ASP 52 Ca -0.01 0.57 0.03 0.00 0.71 0.00 0.00 52.55 53.85 3a94 s ASP 52 Cb -0.06 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.74 3a94 s ASP 52 CO 0.00 0.31 -0.15 -0.31 0.21 0.00 0.00 175.17 175.23 3a94 s TYR 53 N -0.63 1.68 0.00 4.23 1.51 0.27 -1.65 117.35 122.76 3a94 s TYR 53 Ca 0.17 -0.58 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 3a94 s TYR 53 Cb -0.13 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.55 3a94 s TYR 53 CO 0.06 -0.25 0.00 0.41 -1.11 0.00 0.00 175.55 174.66 3a94 n GLY 54 N 3.51 -1.98 0.27 0.71 0.00 0.28 -1.53 105.19 106.44 3a94 n GLY 54 Ca -0.20 -1.75 0.11 0.00 0.00 0.00 0.00 46.02 44.17 3a94 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a94 h ILE 55 N 0.00 0.75 -0.20 -0.61 2.10 -1.71 -1.35 117.51 116.49 3a94 h ILE 55 Ca 0.00 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.72 3a94 h ILE 55 Cb 0.00 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 36.86 3a94 h ILE 55 CO 0.00 0.06 0.00 0.18 -1.08 0.00 0.00 178.15 177.31 3a94 n LEU 56 N -4.05 2.90 -3.75 2.19 4.77 -1.26 -4.12 117.00 113.68 3a94 n LEU 56 Ca -0.03 -2.40 -0.24 0.00 -0.03 0.00 0.00 56.01 53.31 3a94 n LEU 56 Cb 0.14 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 3a94 n LEU 56 CO 0.31 0.66 -0.11 0.00 -1.33 0.00 0.00 177.39 176.92 3a94 n GLN 57 N -0.22 -3.52 -2.53 3.23 1.13 -0.51 -4.90 117.38 110.07 3a94 n GLN 57 Ca 0.12 0.53 -0.41 0.00 -1.94 0.00 0.00 57.00 55.30 3a94 n GLN 57 Cb 0.54 -4.79 -0.04 0.00 0.11 0.00 0.00 30.24 26.06 3a94 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3a94 s ILE 58 N -3.70 4.11 -0.04 5.09 1.01 -0.58 -4.31 121.20 122.77 3a94 s ILE 58 Ca 0.12 1.66 -0.21 0.00 0.00 0.00 0.00 60.65 62.23 3a94 s ILE 58 Cb -0.04 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 3a94 s ILE 58 CO 0.84 0.21 0.60 0.21 0.00 0.00 0.00 174.94 176.80 3a94 s ASN 59 N 0.44 6.92 0.09 3.58 3.84 -1.26 -0.56 114.94 127.98 3a94 s ASN 59 Ca 0.53 1.10 0.18 0.00 0.21 0.00 0.00 52.86 54.88 3a94 s ASN 59 Cb -0.28 -2.36 0.76 0.00 -0.55 0.00 0.00 41.25 38.83 3a94 s ASN 59 CO 0.32 0.03 1.57 -1.54 -2.79 0.00 0.00 177.10 174.68 3a94 n SER 60 N 3.17 0.23 -0.07 -4.21 3.41 -0.14 -1.74 113.62 114.27 3a94 n SER 60 Ca -0.05 0.55 0.02 0.00 -0.26 0.00 0.00 58.87 59.13 3a94 n SER 60 Cb 0.51 -0.60 0.33 0.00 -0.26 0.00 0.00 64.21 64.19 3a94 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3a94 h ARG 61 N 0.00 0.68 0.00 4.33 9.65 -1.84 -3.38 114.38 123.83 3a94 h ARG 61 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3a94 h ARG 61 Cb 0.31 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 3a94 h ARG 61 CO 0.00 0.51 -0.69 0.91 2.80 0.00 0.00 179.97 183.49 3a94 n TRP 62 N -4.41 0.00 -0.03 2.20 8.01 -1.18 -1.55 117.44 120.49 3a94 n TRP 62 Ca 0.04 0.00 0.02 0.00 -1.31 0.00 0.00 57.50 56.25 3a94 n TRP 62 Cb 0.10 0.00 -0.10 0.00 -2.01 0.00 0.00 31.31 29.30 3a94 n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 3a94 n TRP 63 N -1.64 0.00 -3.84 -5.99 7.02 -0.71 -0.93 117.44 111.35 3a94 n TRP 63 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 3a94 n TRP 63 Cb 0.35 -0.43 -0.07 0.00 -2.42 0.00 0.00 31.31 28.74 3a94 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a94 s ASN 65 N -2.87 6.15 0.00 0.00 3.04 -0.33 -4.58 114.94 116.36 3a94 s ASN 65 Ca 0.06 0.16 0.00 0.00 0.04 0.00 0.00 52.86 53.12 3a94 s ASN 65 Cb 0.04 -2.10 0.00 0.00 -1.54 0.00 0.00 41.25 37.65 3a94 s ASN 65 CO -0.10 0.09 0.70 -0.90 -3.04 0.00 0.00 177.10 173.86 3a94 n ASP 66 N 4.07 1.37 0.00 -4.21 5.68 -1.26 -0.71 116.55 121.50 3a94 n ASP 66 Ca -0.15 -1.44 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 3a94 n ASP 66 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3a94 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a94 n GLY 67 N -0.22 0.88 0.72 6.12 0.00 -1.26 -4.79 105.19 106.64 3a94 n GLY 67 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3a94 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3a94 n ARG 68 N -2.00 0.61 -3.77 1.61 1.85 -1.26 -4.93 116.66 108.77 3a94 n ARG 68 Ca 0.00 -2.12 -0.28 0.00 -1.00 0.00 0.00 57.85 54.44 3a94 n ARG 68 Cb 0.00 -0.81 -0.12 0.00 -1.05 0.00 0.00 32.46 30.48 3a94 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3a94 s THR 69 N -1.31 2.07 0.20 8.89 2.01 -1.26 -4.84 115.64 121.41 3a94 s THR 69 Ca 0.25 -3.50 -0.32 0.00 0.31 0.00 0.00 61.69 58.42 3a94 s THR 69 Cb 0.25 -2.39 -0.14 0.00 0.01 0.00 0.00 72.50 70.23 3a94 s THR 69 CO -0.06 -1.00 1.42 -2.65 -0.69 0.00 0.00 174.62 171.64 3a94 n PRO 70 N 2.60 1.91 -0.45 4.92 -0.02 -1.26 -1.92 135.00 140.78 3a94 n PRO 70 Ca 0.17 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3a94 n PRO 70 Cb 0.37 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3a94 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a94 n GLY 71 N 2.46 1.93 3.72 -1.23 0.00 -1.26 -5.01 105.19 105.80 3a94 n GLY 71 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3a94 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a94 s SER 72 N -3.46 2.99 0.50 1.61 1.04 -0.81 -5.08 113.70 110.49 3a94 s SER 72 Ca 0.00 1.12 0.06 0.00 0.48 0.00 0.00 55.95 57.61 3a94 s SER 72 Cb 0.00 -1.76 0.02 0.00 0.10 0.00 0.00 66.02 64.38 3a94 s SER 72 CO 0.00 -2.89 0.37 -0.13 0.98 0.00 0.00 173.24 171.57 3a94 s ARG 73 N -5.08 2.30 -0.39 4.02 1.81 -0.59 -4.99 118.95 116.03 3a94 s ARG 73 Ca 0.65 -1.91 0.10 0.00 -1.72 0.00 0.00 55.73 52.84 3a94 s ARG 73 Cb -0.17 -2.13 0.30 0.00 -0.45 0.00 0.00 34.95 32.49 3a94 s ARG 73 CO 0.56 -0.48 0.62 -1.71 -0.68 0.00 0.00 175.30 173.62 3a94 n ASN 74 N -1.66 0.58 0.25 0.23 5.15 -1.15 -3.67 115.26 114.99 3a94 n ASN 74 Ca -0.01 -2.86 0.13 0.00 -0.60 0.00 0.00 54.58 51.24 3a94 n ASN 74 Cb 0.64 -0.63 0.63 0.00 -0.53 0.00 0.00 39.78 39.88 3a94 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3a94 h LEU 75 N 3.54 0.00 -0.87 1.20 3.38 -1.05 -1.31 115.31 120.20 3a94 h LEU 75 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3a94 h LEU 75 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3a94 h LEU 75 CO 0.49 0.15 -0.03 0.00 0.09 0.00 0.00 178.44 179.13 3a94 n ASN 77 N 0.02 -1.46 -3.91 0.00 3.02 -0.49 -4.99 115.26 107.45 3a94 n ASN 77 Ca 0.18 -0.84 -0.10 0.00 -0.03 0.00 0.00 54.58 53.79 3a94 n ASN 77 Cb 0.34 -4.01 -0.10 0.00 -0.61 0.00 0.00 39.78 35.40 3a94 n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3a94 s ILE 78 N -3.67 0.10 0.36 2.41 -4.36 -1.26 -5.07 121.20 109.71 3a94 s ILE 78 Ca 0.04 -0.81 -0.27 0.00 -0.26 0.00 0.00 60.65 59.34 3a94 s ILE 78 Cb -0.01 -0.48 -0.09 0.00 1.25 0.00 0.00 42.46 43.13 3a94 s ILE 78 CO 0.82 -0.45 1.26 -2.16 0.24 0.00 0.00 174.94 174.65 3a94 s PRO 79 N -1.62 4.22 0.48 0.37 0.04 -1.26 -1.18 135.00 136.04 3a94 s PRO 79 Ca -0.13 2.10 0.15 0.00 0.04 0.00 0.00 61.00 63.16 3a94 s PRO 79 Cb -0.07 -2.92 1.15 0.00 0.04 0.00 0.00 34.50 32.69 3a94 s PRO 79 CO -0.00 -0.26 2.06 0.00 0.04 0.00 0.00 177.00 178.83 3a94 h SER 81 N 0.22 0.00 0.26 0.00 4.64 -1.91 -0.80 113.55 115.96 3a94 h SER 81 Ca 0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3a94 h SER 81 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3a94 h SER 81 CO -0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.90 3a94 h ALA 82 N 1.79 1.16 -0.00 5.18 0.00 -1.49 -1.43 119.26 124.46 3a94 h ALA 82 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a94 h ALA 82 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3a94 h ALA 82 CO -0.00 0.04 -0.03 1.28 0.00 0.00 0.00 179.25 180.54 3a94 n LEU 83 N -3.35 0.30 -0.69 0.00 4.77 -0.31 -3.38 117.00 114.34 3a94 n LEU 83 Ca -0.02 0.01 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 3a94 n LEU 83 Cb 0.15 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3a94 n LEU 83 CO 0.25 0.05 0.50 0.18 -1.33 0.00 0.00 177.39 177.04 3a94 n LEU 84 N -0.92 2.43 -4.73 2.23 4.77 -0.54 -3.95 117.00 116.30 3a94 n LEU 84 Ca 0.19 -0.95 -0.34 0.00 -0.03 0.00 0.00 56.01 54.87 3a94 n LEU 84 Cb 0.21 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.39 3a94 n LEU 84 CO 0.21 0.43 0.79 -0.55 -1.33 0.00 0.00 177.39 176.94 3a94 s SER 85 N -1.69 4.28 0.51 -1.43 0.15 -1.22 -4.18 113.70 110.12 3a94 s SER 85 Ca 0.21 2.33 0.28 0.00 0.70 0.00 0.00 55.95 59.46 3a94 s SER 85 Cb 0.16 -2.59 1.35 0.00 -1.71 0.00 0.00 66.02 63.23 3a94 s SER 85 CO 0.28 -2.21 2.01 0.77 1.20 0.00 0.00 173.24 175.30 3a94 h SER 86 N -0.26 0.00 -3.44 5.45 4.64 -1.94 -3.40 113.55 114.60 3a94 h SER 86 Ca -0.48 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.25 3a94 h SER 86 Cb 1.29 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.28 3a94 h SER 86 CO 0.50 0.14 0.08 -0.62 -0.87 0.00 0.00 176.83 176.06 3a94 s ASP 87 N -6.08 6.64 0.00 4.97 -1.08 -1.26 -4.95 116.67 114.92 3a94 s ASP 87 Ca -0.02 0.78 0.21 0.00 -0.52 0.00 0.00 52.55 53.00 3a94 s ASP 87 Cb 0.12 -2.33 0.87 0.00 -1.46 0.00 0.00 42.92 40.12 3a94 s ASP 87 CO 0.59 -0.26 1.61 2.30 0.52 0.00 0.00 175.17 179.93 3a94 n ILE 88 N 4.71 0.14 -0.21 4.11 -5.35 -1.26 -4.42 119.36 117.08 3a94 n ILE 88 Ca -0.02 -0.25 -0.02 0.00 -0.27 0.00 0.00 62.75 62.19 3a94 n ILE 88 Cb 0.50 0.19 0.04 0.00 -1.74 0.00 0.00 39.64 38.64 3a94 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3a94 h THR 89 N 1.62 0.27 -0.51 7.28 2.02 -1.94 -0.14 112.91 121.51 3a94 h THR 89 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3a94 h THR 89 Cb 0.35 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3a94 h THR 89 CO 0.00 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.80 3a94 h ALA 90 N 1.39 0.88 -0.44 6.16 0.00 -1.84 -0.02 119.26 125.39 3a94 h ALA 90 Ca 0.28 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3a94 h ALA 90 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3a94 h ALA 90 CO -0.67 0.64 0.04 0.77 0.00 0.00 0.00 179.25 180.03 3a94 h SER 91 N 0.84 0.73 -0.13 0.00 0.02 -1.63 -1.65 113.55 111.72 3a94 h SER 91 Ca 0.14 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3a94 h SER 91 Cb 0.61 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3a94 h SER 91 CO 0.04 0.83 0.05 0.58 -1.14 0.00 0.00 176.83 177.18 3a94 h VAL 92 N 0.61 1.17 -0.89 2.27 2.07 -0.73 0.61 116.25 121.35 3a94 h VAL 92 Ca 0.13 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3a94 h VAL 92 Cb 0.43 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3a94 h VAL 92 CO 0.01 0.16 0.57 0.78 0.02 0.00 0.00 177.57 179.11 3a94 h ASN 93 N 0.04 1.05 -0.29 0.57 2.35 -0.95 -1.07 115.58 117.27 3a94 h ASN 93 Ca 0.04 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 3a94 h ASN 93 Cb 0.20 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 3a94 h ASN 93 CO -0.00 0.78 -0.28 0.00 -1.65 0.00 0.00 177.43 176.28 3a94 h ALA 95 N 0.71 1.61 -0.93 0.00 0.00 -0.49 -0.78 119.26 119.38 3a94 h ALA 95 Ca 0.05 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a94 h ALA 95 Cb 0.84 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 3a94 h ALA 95 CO 0.07 0.10 0.57 0.87 0.00 0.00 0.00 179.25 180.87 3a94 h LYS 96 N 0.89 1.26 -0.39 0.00 1.57 -1.07 -0.46 116.57 118.37 3a94 h LYS 96 Ca 0.51 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 59.12 3a94 h LYS 96 Cb 0.64 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3a94 h LYS 96 CO -0.29 0.87 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.24 3a94 h LYS 97 N 1.28 0.69 -0.04 3.15 3.64 -1.13 -2.90 116.57 121.26 3a94 h LYS 97 Ca 0.34 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3a94 h LYS 97 Cb -0.07 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3a94 h LYS 97 CO -0.06 0.79 0.03 0.82 -2.27 0.00 0.00 179.45 178.75 3a94 h ILE 98 N 0.51 1.04 0.00 2.00 2.04 -0.74 -2.67 117.51 119.70 3a94 h ILE 98 Ca 0.11 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3a94 h ILE 98 Cb 0.48 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3a94 h ILE 98 CO 0.02 0.04 0.00 1.62 0.00 0.00 0.00 178.15 179.83 3a94 h VAL 99 N 0.02 0.00 -0.01 1.67 3.04 -1.13 -2.07 116.25 117.76 3a94 h VAL 99 Ca 0.02 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 3a94 h VAL 99 Cb 0.04 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 3a94 h VAL 99 CO -0.00 0.00 -0.09 -1.20 -1.01 0.00 0.00 177.57 175.27 3a94 n SER 100 N -2.42 1.48 -0.35 3.17 7.64 -1.01 -3.71 113.62 118.42 3a94 n SER 100 Ca 0.01 -1.36 0.14 0.00 1.01 0.00 0.00 58.87 58.67 3a94 n SER 100 Cb 0.20 0.05 0.54 0.00 -1.01 0.00 0.00 64.21 63.99 3a94 n SER 100 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3a94 n ASP 101 N 0.01 1.15 0.00 6.43 3.85 -0.78 -4.91 116.55 122.30 3a94 n ASP 101 Ca 0.16 -1.22 0.00 0.00 -0.71 0.00 0.00 54.79 53.02 3a94 n ASP 101 Cb 0.37 0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.17 3a94 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3a94 n GLY 102 N 1.21 3.90 1.08 6.12 0.00 -1.26 -4.95 105.19 111.28 3a94 n GLY 102 Ca 0.17 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.58 3a94 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a94 n ASN 103 N 0.00 3.24 0.00 1.61 3.02 -1.26 -5.06 115.26 116.81 3a94 n ASN 103 Ca 0.00 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 3a94 n ASN 103 Cb 0.00 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 3a94 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a94 n GLY 104 N 1.46 2.48 0.00 7.41 0.00 -1.24 -1.91 105.19 113.38 3a94 n GLY 104 Ca 0.19 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3a94 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a94 n MET 105 N 12.27 0.45 0.21 1.61 2.81 -1.26 -2.94 117.12 130.26 3a94 n MET 105 Ca 0.00 0.05 0.14 0.00 -1.81 0.00 0.00 57.70 56.08 3a94 n MET 105 Cb 0.00 -1.50 0.74 0.00 -0.71 0.00 0.00 33.22 31.75 3a94 n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3a94 h ASN 106 N 0.00 0.00 -0.31 7.83 2.35 -1.80 -0.73 115.58 122.92 3a94 h ASN 106 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3a94 h ASN 106 Cb 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3a94 h ASN 106 CO 0.00 0.00 0.22 0.00 -1.65 0.00 0.00 177.43 176.00 3a94 h ALA 107 N 2.03 2.28 -2.10 -0.83 0.00 -1.69 -3.36 119.26 115.59 3a94 h ALA 107 Ca 0.00 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.21 3a94 h ALA 107 Cb 0.07 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.69 3a94 h ALA 107 CO 0.00 -0.38 0.01 -1.58 0.00 0.00 0.00 179.25 177.30 3a94 s TRP 108 N -5.02 3.07 0.29 0.00 0.51 -0.28 -4.95 118.94 112.56 3a94 s TRP 108 Ca -0.05 -0.60 0.00 0.00 -2.12 0.00 0.00 56.10 53.33 3a94 s TRP 108 Cb 0.18 -3.53 0.51 0.00 -0.81 0.00 0.00 33.47 29.82 3a94 s TRP 108 CO 0.70 -1.03 1.90 -0.24 -0.51 0.00 0.00 176.95 177.77 3a94 h VAL 109 N 5.86 1.05 -0.03 4.03 3.04 -1.84 -0.67 116.25 127.69 3a94 h VAL 109 Ca -0.28 -0.36 -0.07 0.00 -1.01 0.00 0.00 66.70 64.98 3a94 h VAL 109 Cb 1.10 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.28 3a94 h VAL 109 CO 0.96 0.19 -0.30 0.00 -1.01 0.00 0.00 177.57 177.41 3a94 h ALA 110 N 1.50 1.45 -0.20 3.17 0.00 -1.94 -0.35 119.26 122.88 3a94 h ALA 110 Ca 0.41 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3a94 h ALA 110 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3a94 h ALA 110 CO -0.16 0.41 -0.08 2.35 0.00 0.00 0.00 179.25 181.76 3a94 h TRP 111 N 0.05 0.48 -0.69 0.00 7.01 -1.45 -0.92 115.95 120.43 3a94 h TRP 111 Ca 0.01 -0.11 0.01 0.00 2.11 0.00 0.00 58.89 60.90 3a94 h TRP 111 Cb 0.56 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.48 3a94 h TRP 111 CO 0.00 0.70 0.45 -0.09 -2.79 0.00 0.00 178.44 176.71 3a94 h ARG 112 N 0.12 0.91 0.00 2.65 2.43 -0.85 0.24 114.38 119.87 3a94 h ARG 112 Ca 0.05 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3a94 h ARG 112 Cb 0.56 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3a94 h ARG 112 CO 0.03 0.61 -0.60 -0.91 -1.51 0.00 0.00 179.97 177.59 3a94 h ASN 113 N 0.93 0.00 0.00 -3.80 2.35 -1.08 -3.36 115.58 110.61 3a94 h ASN 113 Ca 0.25 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3a94 h ASN 113 Cb -0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3a94 h ASN 113 CO -0.05 0.01 -0.32 0.54 -1.65 0.00 0.00 177.43 175.96 3a94 n ARG 114 N -2.77 3.25 -0.02 0.81 1.74 -0.35 -4.90 116.66 114.42 3a94 n ARG 114 Ca 0.02 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.07 3a94 n ARG 114 Cb 0.53 -0.57 -0.01 0.00 -1.02 0.00 0.00 32.46 31.39 3a94 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a94 n LYS 116 N -2.91 1.64 -0.99 0.00 4.81 0.62 -1.02 118.16 120.30 3a94 n LYS 116 Ca -0.06 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 3a94 n LYS 116 Cb 0.55 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.27 3a94 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a94 n GLY 117 N 3.53 0.68 4.01 3.14 0.00 -1.26 -4.94 105.19 110.34 3a94 n GLY 117 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 3a94 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a94 s THR 118 N -2.73 2.70 -1.30 2.61 -4.23 -0.19 -5.01 115.64 107.48 3a94 s THR 118 Ca 0.00 -1.03 -0.18 0.00 -1.18 0.00 0.00 61.69 59.30 3a94 s THR 118 Cb 0.00 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 71.14 3a94 s THR 118 CO 0.00 0.00 1.93 -0.67 -0.54 0.00 0.00 174.62 175.34 3a94 n ASP 119 N -1.95 4.25 0.26 3.99 2.03 -1.26 -4.75 116.55 119.12 3a94 n ASP 119 Ca 0.10 -2.86 0.17 0.00 0.52 0.00 0.00 54.79 52.72 3a94 n ASP 119 Cb 0.60 -1.68 0.73 0.00 -0.72 0.00 0.00 41.12 40.06 3a94 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3a94 h VAL 120 N 5.07 0.00 -0.28 5.18 -1.51 -1.90 -2.22 116.25 120.58 3a94 h VAL 120 Ca 0.46 -0.38 0.08 0.00 -1.23 0.00 0.00 66.70 65.63 3a94 h VAL 120 Cb 0.79 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 3a94 h VAL 120 CO 1.60 0.00 0.23 1.56 -1.23 0.00 0.00 177.57 179.74 3a94 h GLN 121 N 0.00 0.00 -0.45 5.19 4.20 -1.88 -1.08 115.11 121.09 3a94 h GLN 121 Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 3a94 h GLN 121 Cb 0.40 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3a94 h GLN 121 CO 0.00 0.00 0.35 0.00 -0.67 0.00 0.00 178.83 178.51 3a94 h ALA 122 N 1.80 2.35 0.00 3.87 0.00 -1.79 -1.80 119.26 123.68 3a94 h ALA 122 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3a94 h ALA 122 Cb 0.60 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3a94 h ALA 122 CO -0.00 -0.58 0.00 0.91 0.00 0.00 0.00 179.25 179.57 3a94 n TRP 123 N -4.23 0.73 -0.00 0.00 7.02 -0.41 -2.80 117.44 117.74 3a94 n TRP 123 Ca 0.08 0.26 0.00 0.00 -1.02 0.00 0.00 57.50 56.82 3a94 n TRP 123 Cb 0.55 -0.92 0.00 0.00 -2.42 0.00 0.00 31.31 28.52 3a94 n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 3a94 n ILE 124 N -2.14 0.72 -1.88 -0.99 -5.35 -0.69 -4.81 119.36 104.21 3a94 n ILE 124 Ca 0.03 -0.86 -0.42 0.00 -0.27 0.00 0.00 62.75 61.24 3a94 n ILE 124 Cb 0.28 0.64 -0.02 0.00 -1.74 0.00 0.00 39.64 38.80 3a94 n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3a94 s ARG 125 N -0.72 4.19 0.00 6.28 1.81 -1.12 -2.42 118.95 126.97 3a94 s ARG 125 Ca 0.00 2.44 0.00 0.00 -1.72 0.00 0.00 55.73 56.45 3a94 s ARG 125 Cb 0.00 -3.08 0.00 0.00 -0.45 0.00 0.00 34.95 31.42 3a94 s ARG 125 CO 0.00 -0.57 0.00 0.41 -0.68 0.00 0.00 175.30 174.46 3a94 n GLY 126 N 2.67 2.65 3.76 -3.53 0.00 -1.26 -5.04 105.19 104.45 3a94 n GLY 126 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3a94 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a94 s ARG 128 N -1.29 3.66 0.00 0.00 0.52 -1.26 -5.12 118.95 115.46 3a94 s ARG 128 Ca 0.41 -1.42 0.23 0.00 -0.52 0.00 0.00 55.73 54.43 3a94 s ARG 128 Cb -0.25 -5.28 0.18 0.00 0.52 0.00 0.00 34.95 30.12 3a94 s ARG 128 CO 0.30 -2.11 1.21 1.28 0.02 0.00 0.00 175.30 176.01