#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a93 s VAL 2 N 0.00 5.23 0.45 3.15 1.01 -1.26 -0.79 120.40 128.19 3a93 s VAL 2 Ca 0.00 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 3a93 s VAL 2 Cb 0.00 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 3a93 s VAL 2 CO 0.00 -0.28 1.05 -0.36 0.00 0.00 0.00 175.10 175.51 3a93 s PHE 3 N 1.68 3.10 0.61 5.22 0.40 -0.24 -4.99 117.98 123.75 3a93 s PHE 3 Ca 0.05 1.60 -0.16 0.00 -0.60 0.00 0.00 56.93 57.82 3a93 s PHE 3 Cb -0.19 -3.10 -0.03 0.00 0.51 0.00 0.00 43.02 40.21 3a93 s PHE 3 CO 0.10 -0.77 1.10 0.20 0.70 0.00 0.00 175.22 176.54 3a93 s GLY 4 N -1.79 2.26 0.10 4.36 0.00 -1.26 -4.84 107.32 106.14 3a93 s GLY 4 Ca 0.63 0.56 -0.33 0.00 0.00 0.00 0.00 44.72 45.59 3a93 s GLY 4 CO 0.23 0.90 1.58 -0.09 0.00 0.00 0.00 173.10 175.73 3a93 h ARG 5 N 0.45 -0.76 -0.24 2.90 2.43 -1.97 0.10 114.38 117.29 3a93 h ARG 5 Ca -0.48 0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 58.68 3a93 h ARG 5 Cb 1.24 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.95 3a93 h ARG 5 CO 0.56 -0.51 -0.15 0.00 -1.51 0.00 0.00 179.97 178.36 3a93 h GLU 7 N 0.38 0.43 -0.45 0.00 4.81 -1.90 -0.58 114.58 117.28 3a93 h GLU 7 Ca 0.07 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 3a93 h GLU 7 Cb 0.49 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3a93 h GLU 7 CO 0.03 0.29 0.02 1.25 -0.73 0.00 0.00 179.01 179.86 3a93 h LEU 8 N 0.45 0.77 -0.60 1.64 5.85 -0.44 -1.79 115.31 121.20 3a93 h LEU 8 Ca 0.12 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.63 3a93 h LEU 8 Cb -0.04 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.72 3a93 h LEU 8 CO -0.03 0.88 0.25 0.00 -0.34 0.00 0.00 178.44 179.19 3a93 h ALA 9 N 0.92 0.77 -0.66 1.25 0.00 -0.87 0.71 119.26 121.39 3a93 h ALA 9 Ca 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3a93 h ALA 9 Cb 0.47 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3a93 h ALA 9 CO 0.02 -0.15 0.32 0.00 0.00 0.00 0.00 179.25 179.44 3a93 h ALA 10 N 1.38 0.85 -0.47 0.00 0.00 -0.94 -0.40 119.26 119.69 3a93 h ALA 10 Ca 0.29 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3a93 h ALA 10 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3a93 h ALA 10 CO -0.27 0.41 -0.23 0.00 0.00 0.00 0.00 179.25 179.16 3a93 h ALA 11 N 1.14 0.68 -0.61 0.00 0.00 -0.74 -1.32 119.26 118.41 3a93 h ALA 11 Ca 0.23 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3a93 h ALA 11 Cb 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3a93 h ALA 11 CO -0.03 0.68 0.28 0.52 0.00 0.00 0.00 179.25 180.69 3a93 h MET 12 N 0.85 0.89 -0.34 0.00 2.86 -0.69 -2.11 114.93 116.40 3a93 h MET 12 Ca 0.11 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3a93 h MET 12 Cb 0.81 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 3a93 h MET 12 CO 0.07 0.73 0.20 -0.22 1.06 0.00 0.00 176.91 178.75 3a93 h LYS 13 N 0.84 0.46 -0.26 1.72 3.64 -0.97 -1.73 116.57 120.27 3a93 h LYS 13 Ca 0.21 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3a93 h LYS 13 Cb 0.15 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3a93 h LYS 13 CO -0.02 0.37 0.12 -0.09 -2.27 0.00 0.00 179.45 177.55 3a93 h ARG 14 N 0.43 0.35 -0.16 1.90 2.43 -1.02 -0.99 114.38 117.32 3a93 h ARG 14 Ca 0.12 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3a93 h ARG 14 Cb 0.03 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3a93 h ARG 14 CO -0.02 0.28 0.00 0.72 -1.51 0.00 0.00 179.97 179.44 3a93 n HIS 15 N -4.45 0.20 -0.60 2.20 8.25 -0.81 -4.94 115.22 115.07 3a93 n HIS 15 Ca 0.01 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3a93 n HIS 15 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3a93 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a93 n GLY 16 N 1.07 0.65 0.17 -1.41 0.00 -0.38 -4.97 105.19 100.32 3a93 n GLY 16 Ca 0.15 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.63 3a93 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a93 h LEU 17 N 0.00 0.00 -9.13 0.99 3.38 -1.52 -3.39 115.31 105.64 3a93 h LEU 17 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3a93 h LEU 17 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3a93 h LEU 17 CO 0.00 0.09 1.29 -0.62 0.09 0.00 0.00 178.44 179.30 3a93 s ASP 18 N -5.98 6.08 -0.76 -0.43 2.15 -1.26 -1.37 116.67 115.09 3a93 s ASP 18 Ca 0.04 2.08 0.00 0.00 0.43 0.00 0.00 52.55 55.10 3a93 s ASP 18 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 3a93 s ASP 18 CO 0.72 -1.44 0.00 0.59 -0.17 0.00 0.00 175.17 174.87 3a93 n ASN 19 N 9.28 -4.54 -4.71 -0.34 5.03 0.10 -4.88 115.26 115.19 3a93 n ASN 19 Ca 0.23 0.18 -0.42 0.00 0.87 0.00 0.00 54.58 55.44 3a93 n ASN 19 Cb 0.44 -2.67 -0.03 0.00 -1.02 0.00 0.00 39.78 36.50 3a93 n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3a93 s TYR 20 N -2.04 2.95 -0.94 3.10 5.04 -0.47 -1.00 117.35 124.00 3a93 s TYR 20 Ca 0.00 0.63 0.00 0.00 -2.44 0.00 0.00 57.07 55.26 3a93 s TYR 20 Cb 0.00 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.44 3a93 s TYR 20 CO 0.00 -3.26 0.00 0.54 -1.34 0.00 0.00 175.55 171.49 3a93 n ARG 21 N 4.38 -2.23 -0.77 4.97 5.12 -1.26 -1.53 116.66 125.33 3a93 n ARG 21 Ca 0.14 0.53 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 3a93 n ARG 21 Cb 0.40 -5.08 0.00 0.00 -1.16 0.00 0.00 32.46 26.62 3a93 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a93 n GLY 22 N -0.71 0.75 3.54 -0.13 0.00 -0.17 -5.03 105.19 103.44 3a93 n GLY 22 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3a93 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a93 s TYR 23 N -2.79 3.20 0.79 1.61 2.02 -0.59 -4.86 117.35 116.73 3a93 s TYR 23 Ca 0.00 -0.06 -0.13 0.00 -0.37 0.00 0.00 57.07 56.51 3a93 s TYR 23 Cb 0.00 -2.73 0.07 0.00 -0.40 0.00 0.00 41.96 38.90 3a93 s TYR 23 CO 0.00 -0.49 1.18 -1.54 -1.57 0.00 0.00 175.55 173.13 3a93 s SER 24 N 1.75 3.84 0.32 2.29 1.04 -1.26 -0.73 113.70 120.96 3a93 s SER 24 Ca 0.12 2.27 0.08 0.00 0.48 0.00 0.00 55.95 58.90 3a93 s SER 24 Cb -0.17 -2.58 0.80 0.00 0.10 0.00 0.00 66.02 64.18 3a93 s SER 24 CO 0.12 -2.49 1.79 0.25 0.98 0.00 0.00 173.24 173.88 3a93 h LEU 25 N -0.83 0.72 -1.68 2.42 5.85 -1.90 -0.78 115.31 119.12 3a93 h LEU 25 Ca -0.46 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.36 3a93 h LEU 25 Cb 1.28 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 3a93 h LEU 25 CO 0.47 0.26 0.22 1.23 -0.34 0.00 0.00 178.44 180.28 3a93 h GLY 26 N 0.70 0.46 0.89 3.75 0.00 -1.91 -1.10 103.07 105.86 3a93 h GLY 26 Ca 0.56 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.75 3a93 h GLY 26 CO -0.35 0.16 0.45 3.43 0.00 0.00 0.00 176.54 180.23 3a93 h ASN 27 N 0.43 0.74 -0.35 0.19 2.35 -1.36 -0.44 115.58 117.14 3a93 h ASN 27 Ca 0.13 -0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.70 3a93 h ASN 27 Cb -0.02 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 3a93 h ASN 27 CO -0.03 0.52 -0.44 -0.50 -1.65 0.00 0.00 177.43 175.33 3a93 h TRP 28 N 0.88 1.13 -0.36 1.19 4.06 -1.28 -1.14 115.95 120.43 3a93 h TRP 28 Ca 0.28 -0.36 -0.10 0.00 2.06 0.00 0.00 58.89 60.77 3a93 h TRP 28 Cb 0.00 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 27.93 3a93 h TRP 28 CO -0.04 1.19 -0.17 0.28 -3.56 0.00 0.00 178.44 176.15 3a93 h VAL 29 N 0.73 1.28 -0.56 1.49 2.07 -1.17 -1.30 116.25 118.80 3a93 h VAL 29 Ca 0.04 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 3a93 h VAL 29 Cb 1.04 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 3a93 h VAL 29 CO 0.11 0.42 0.34 0.00 0.02 0.00 0.00 177.57 178.46 3a93 h ALA 31 N 1.17 0.81 -0.51 0.00 0.00 -1.03 -2.28 119.26 117.42 3a93 h ALA 31 Ca 0.20 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3a93 h ALA 31 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3a93 h ALA 31 CO -0.04 0.27 -0.06 0.00 0.00 0.00 0.00 179.25 179.42 3a93 h ALA 32 N 1.21 0.93 -0.15 0.00 0.00 -0.81 0.27 119.26 120.69 3a93 h ALA 32 Ca 0.23 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3a93 h ALA 32 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3a93 h ALA 32 CO -0.05 0.63 -0.04 -0.22 0.00 0.00 0.00 179.25 179.57 3a93 h LYS 33 N 0.82 -0.00 0.00 0.00 1.63 -0.58 -1.22 116.57 117.22 3a93 h LYS 33 Ca 0.14 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 3a93 h LYS 33 Cb 0.58 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.21 3a93 h LYS 33 CO 0.04 -0.00 -0.39 0.74 -3.45 0.00 0.00 179.45 176.38 3a93 h PHE 34 N -0.00 0.00 0.08 1.91 0.04 -1.22 0.49 116.94 118.24 3a93 h PHE 34 Ca 0.08 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.64 3a93 h PHE 34 Cb 0.12 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.29 3a93 h PHE 34 CO -0.19 0.04 -0.84 0.93 -0.60 0.00 0.00 178.31 177.65 3a93 h GLU 35 N 0.00 0.44 0.00 1.51 4.39 -0.83 -3.43 114.58 116.66 3a93 h GLU 35 Ca -0.00 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.12 3a93 h GLU 35 Cb 1.04 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3a93 h GLU 35 CO 0.00 1.22 0.00 -1.13 -1.16 0.00 0.00 179.01 177.95 3a93 n SER 36 N -4.07 0.10 -2.87 1.42 3.41 -0.48 -4.85 113.62 106.27 3a93 n SER 36 Ca -0.12 -0.75 -0.20 0.00 -0.26 0.00 0.00 58.87 57.54 3a93 n SER 36 Cb 0.81 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.80 3a93 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3a93 n ASN 37 N -0.04 -5.09 -0.60 4.04 5.15 0.16 -1.77 115.26 117.12 3a93 n ASN 37 Ca 0.00 -0.17 -0.08 0.00 -0.60 0.00 0.00 54.58 53.74 3a93 n ASN 37 Cb 0.16 -4.19 -0.03 0.00 -0.53 0.00 0.00 39.78 35.19 3a93 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3a93 n PHE 38 N -4.07 0.00 -3.42 1.20 3.72 -1.20 -4.84 117.46 108.85 3a93 n PHE 38 Ca -0.12 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.86 3a93 n PHE 38 Cb 0.61 -1.77 -0.10 0.00 -0.94 0.00 0.00 39.48 37.29 3a93 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3a93 s ASN 39 N -2.63 6.15 0.57 4.37 3.84 -0.73 -1.08 114.94 125.42 3a93 s ASN 39 Ca 0.00 -0.47 0.33 0.00 0.21 0.00 0.00 52.86 52.93 3a93 s ASN 39 Cb 0.00 -2.19 1.72 0.00 -0.55 0.00 0.00 41.25 40.24 3a93 s ASN 39 CO 0.00 -0.39 2.16 0.71 -2.79 0.00 0.00 177.10 176.79 3a93 h THR 40 N 5.59 0.34 -0.11 -5.21 1.35 -1.27 -2.51 112.91 111.09 3a93 h THR 40 Ca -0.29 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3a93 h THR 40 Cb 1.14 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3a93 h THR 40 CO 0.71 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 176.04 3a93 n GLN 41 N -3.45 1.59 -1.86 4.72 6.02 -1.26 -4.04 117.38 119.11 3a93 n GLN 41 Ca -0.02 -0.88 -0.42 0.00 -0.01 0.00 0.00 57.00 55.67 3a93 n GLN 41 Cb 0.19 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 3a93 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a93 s ALA 42 N -1.87 3.77 0.02 -1.58 0.00 -0.94 -4.80 121.76 116.36 3a93 s ALA 42 Ca 0.34 1.47 0.03 0.00 0.00 0.00 0.00 51.96 53.79 3a93 s ALA 42 Cb 0.18 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3a93 s ALA 42 CO 0.28 -0.87 -0.09 0.95 0.00 0.00 0.00 175.76 176.03 3a93 s THR 43 N 0.56 0.64 -0.12 0.00 -4.23 -1.26 -0.48 115.64 110.75 3a93 s THR 43 Ca 0.67 -0.76 -0.07 0.00 -1.18 0.00 0.00 61.69 60.35 3a93 s THR 43 Cb -0.46 -0.62 0.05 0.00 1.34 0.00 0.00 72.50 72.81 3a93 s THR 43 CO 0.39 -0.11 0.29 0.20 -0.54 0.00 0.00 174.62 174.85 3a93 s ASN 44 N -0.96 -0.33 0.07 3.99 0.01 -0.58 -4.98 114.94 112.16 3a93 s ASN 44 Ca -0.03 0.62 -0.27 0.00 -0.71 0.00 0.00 52.86 52.47 3a93 s ASN 44 Cb -0.07 0.52 -0.05 0.00 0.41 0.00 0.00 41.25 42.06 3a93 s ASN 44 CO 0.00 -0.16 0.84 -0.60 -1.51 0.00 0.00 177.10 175.67 3a93 s ARG 45 N 1.12 4.57 0.42 -0.60 6.06 -1.26 -0.61 118.95 128.65 3a93 s ARG 45 Ca -0.08 1.21 -0.02 0.00 -2.50 0.00 0.00 55.73 54.33 3a93 s ARG 45 Cb -0.09 -3.37 -0.03 0.00 0.06 0.00 0.00 34.95 31.52 3a93 s ARG 45 CO -0.08 0.25 0.68 -0.80 -2.50 0.00 0.00 175.30 172.84 3a93 s ASN 46 N -0.00 6.23 0.43 -2.12 0.01 0.69 -4.95 114.94 115.23 3a93 s ASN 46 Ca 0.42 0.67 0.10 0.00 -0.71 0.00 0.00 52.86 53.34 3a93 s ASN 46 Cb -0.21 -2.09 0.96 0.00 0.41 0.00 0.00 41.25 40.31 3a93 s ASN 46 CO 0.25 -0.47 2.06 0.71 -1.51 0.00 0.00 177.10 178.14 3a93 h THR 47 N 0.46 1.05 0.00 1.60 1.35 -1.97 -2.09 112.91 113.30 3a93 h THR 47 Ca -0.48 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3a93 h THR 47 Cb 1.22 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3a93 h THR 47 CO 0.61 0.08 0.00 -0.90 -0.25 0.00 0.00 175.52 175.06 3a93 n ASP 48 N -4.48 0.00 0.00 5.36 5.75 -1.26 -4.87 116.55 117.05 3a93 n ASP 48 Ca 0.04 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.90 3a93 n ASP 48 Cb 0.13 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 3a93 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a93 n GLY 49 N 0.89 0.49 3.79 6.12 0.00 -0.79 -5.01 105.19 110.69 3a93 n GLY 49 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 3a93 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a93 s SER 50 N -1.97 3.63 0.03 1.61 1.04 -1.26 -4.77 113.70 112.01 3a93 s SER 50 Ca 0.00 1.00 0.03 0.00 0.48 0.00 0.00 55.95 57.46 3a93 s SER 50 Cb 0.00 -1.59 -0.02 0.00 0.10 0.00 0.00 66.02 64.51 3a93 s SER 50 CO 0.00 -2.48 -0.09 -0.89 0.98 0.00 0.00 173.24 170.76 3a93 s THR 51 N -3.27 0.72 -0.14 2.02 2.01 -1.26 -0.22 115.64 115.50 3a93 s THR 51 Ca 0.63 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.75 3a93 s THR 51 Cb -0.15 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 3a93 s THR 51 CO 0.53 -0.09 0.13 -1.81 -0.69 0.00 0.00 174.62 172.69 3a93 s ASP 52 N -1.00 6.26 -0.06 3.53 1.01 0.22 -0.80 116.67 125.83 3a93 s ASP 52 Ca -0.02 0.37 0.03 0.00 0.71 0.00 0.00 52.55 53.64 3a93 s ASP 52 Cb -0.07 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 41.82 3a93 s ASP 52 CO 0.01 0.33 -0.15 -0.31 0.21 0.00 0.00 175.17 175.26 3a93 s TYR 53 N -0.56 1.59 0.00 4.23 1.51 0.10 -1.53 117.35 122.69 3a93 s TYR 53 Ca 0.12 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 3a93 s TYR 53 Cb -0.12 -1.12 0.00 0.00 -0.11 0.00 0.00 41.96 40.62 3a93 s TYR 53 CO 0.02 -0.24 0.00 0.41 -1.11 0.00 0.00 175.55 174.63 3a93 n GLY 54 N 3.52 -1.91 0.27 0.71 0.00 0.37 -1.44 105.19 106.70 3a93 n GLY 54 Ca -0.21 -1.70 0.10 0.00 0.00 0.00 0.00 46.02 44.22 3a93 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a93 h ILE 55 N 0.00 0.85 -0.16 -0.61 2.10 -1.72 -1.31 117.51 116.67 3a93 h ILE 55 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 3a93 h ILE 55 Cb 0.00 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 3a93 h ILE 55 CO 0.00 0.02 0.00 0.18 -1.08 0.00 0.00 178.15 177.27 3a93 n LEU 56 N -4.28 2.76 -3.70 2.19 4.77 -1.26 -4.10 117.00 113.38 3a93 n LEU 56 Ca -0.03 -2.45 -0.25 0.00 -0.03 0.00 0.00 56.01 53.25 3a93 n LEU 56 Cb 0.10 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3a93 n LEU 56 CO 0.32 0.65 -0.09 0.00 -1.33 0.00 0.00 177.39 176.94 3a93 n GLN 57 N -0.40 -3.21 -2.63 3.23 1.13 -0.50 -4.90 117.38 110.11 3a93 n GLN 57 Ca 0.11 0.55 -0.41 0.00 -1.94 0.00 0.00 57.00 55.31 3a93 n GLN 57 Cb 0.52 -4.79 -0.04 0.00 0.11 0.00 0.00 30.24 26.05 3a93 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3a93 s ILE 58 N -3.63 4.40 -0.02 5.09 1.01 -0.52 -4.33 121.20 123.19 3a93 s ILE 58 Ca 0.19 1.88 -0.19 0.00 0.00 0.00 0.00 60.65 62.53 3a93 s ILE 58 Cb -0.06 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 3a93 s ILE 58 CO 0.83 0.24 0.55 0.21 0.00 0.00 0.00 174.94 176.77 3a93 s ASN 59 N 0.41 6.91 0.11 3.58 3.04 -1.26 -0.72 114.94 127.00 3a93 s ASN 59 Ca 0.51 1.08 0.19 0.00 0.04 0.00 0.00 52.86 54.68 3a93 s ASN 59 Cb -0.25 -2.33 0.79 0.00 -1.54 0.00 0.00 41.25 37.92 3a93 s ASN 59 CO 0.30 0.13 1.59 -1.54 -3.04 0.00 0.00 177.10 174.54 3a93 n SER 60 N 2.69 0.29 0.20 -4.21 3.41 0.02 -1.89 113.62 114.13 3a93 n SER 60 Ca -0.08 0.57 0.04 0.00 -0.26 0.00 0.00 58.87 59.14 3a93 n SER 60 Cb 0.51 -0.63 0.42 0.00 -0.26 0.00 0.00 64.21 64.25 3a93 n SER 60 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3a93 h ARG 61 N 0.00 0.00 0.00 4.33 0.11 -1.83 -3.38 114.38 113.61 3a93 h ARG 61 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3a93 h ARG 61 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 3a93 h ARG 61 CO 0.00 0.32 -0.75 0.91 0.10 0.00 0.00 179.97 180.55 3a93 n TRP 62 N -4.02 0.00 -0.04 4.08 7.02 -1.20 -1.52 117.44 121.77 3a93 n TRP 62 Ca -0.02 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.45 3a93 n TRP 62 Cb 0.38 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.17 3a93 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3a93 n TRP 63 N -1.74 0.00 -3.91 -5.99 7.02 -0.79 -0.75 117.44 111.28 3a93 n TRP 63 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 3a93 n TRP 63 Cb 0.37 -0.47 -0.08 0.00 -2.42 0.00 0.00 31.31 28.72 3a93 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a93 s ASN 65 N -2.77 6.24 0.00 0.00 3.84 -0.19 -4.56 114.94 117.50 3a93 s ASN 65 Ca 0.04 0.27 0.00 0.00 0.21 0.00 0.00 52.86 53.38 3a93 s ASN 65 Cb 0.05 -2.14 0.00 0.00 -0.55 0.00 0.00 41.25 38.61 3a93 s ASN 65 CO -0.10 0.06 0.74 -0.90 -2.79 0.00 0.00 177.10 174.11 3a93 n ASP 66 N 4.10 1.47 0.00 -4.21 5.68 -1.26 -0.52 116.55 121.81 3a93 n ASP 66 Ca -0.13 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 3a93 n ASP 66 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3a93 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a93 n GLY 67 N -0.24 0.78 0.87 6.12 0.00 -1.26 -4.80 105.19 106.66 3a93 n GLY 67 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3a93 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3a93 n ARG 68 N -2.00 0.39 -3.87 1.61 1.85 -1.26 -4.94 116.66 108.44 3a93 n ARG 68 Ca 0.00 -1.94 -0.29 0.00 -1.00 0.00 0.00 57.85 54.62 3a93 n ARG 68 Cb 0.00 -0.59 -0.13 0.00 -1.05 0.00 0.00 32.46 30.70 3a93 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3a93 s THR 69 N -0.83 2.48 0.20 8.89 2.01 -1.26 -4.85 115.64 122.28 3a93 s THR 69 Ca 0.23 -3.67 -0.32 0.00 0.31 0.00 0.00 61.69 58.24 3a93 s THR 69 Cb 0.25 -2.67 -0.15 0.00 0.01 0.00 0.00 72.50 69.93 3a93 s THR 69 CO -0.08 -0.93 1.27 -2.65 -0.69 0.00 0.00 174.62 171.54 3a93 n PRO 70 N 2.59 1.53 -0.97 4.92 -0.02 -1.26 -2.11 135.00 139.68 3a93 n PRO 70 Ca 0.14 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3a93 n PRO 70 Cb 0.35 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3a93 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a93 n GLY 71 N 2.08 0.87 3.85 -1.23 0.00 -1.26 -5.00 105.19 104.52 3a93 n GLY 71 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3a93 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a93 s SER 72 N -2.81 3.62 0.50 1.61 1.04 -0.90 -5.08 113.70 111.69 3a93 s SER 72 Ca 0.00 0.69 0.04 0.00 0.48 0.00 0.00 55.95 57.17 3a93 s SER 72 Cb 0.00 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 65.04 3a93 s SER 72 CO 0.00 -2.46 0.22 -0.13 0.98 0.00 0.00 173.24 171.86 3a93 s ARG 73 N -5.56 2.23 -0.39 4.02 1.81 -0.58 -4.99 118.95 115.49 3a93 s ARG 73 Ca 0.66 -2.11 0.10 0.00 -1.72 0.00 0.00 55.73 52.66 3a93 s ARG 73 Cb -0.10 -1.89 0.30 0.00 -0.45 0.00 0.00 34.95 32.81 3a93 s ARG 73 CO 0.52 -0.42 0.64 -1.71 -0.68 0.00 0.00 175.30 173.64 3a93 n ASN 74 N -1.48 0.70 0.26 0.23 5.15 -1.15 -3.63 115.26 115.34 3a93 n ASN 74 Ca -0.07 -2.89 0.13 0.00 -0.60 0.00 0.00 54.58 51.15 3a93 n ASN 74 Cb 0.65 -0.63 0.67 0.00 -0.53 0.00 0.00 39.78 39.94 3a93 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3a93 h LEU 75 N 3.51 0.00 -0.98 1.20 3.38 -0.95 -1.40 115.31 120.07 3a93 h LEU 75 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3a93 h LEU 75 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3a93 h LEU 75 CO 0.50 0.13 -0.00 0.00 0.09 0.00 0.00 178.44 179.15 3a93 n ASN 77 N 0.20 -1.59 -3.86 0.00 3.02 -0.53 -4.99 115.26 107.51 3a93 n ASN 77 Ca 0.19 -0.86 -0.11 0.00 -0.03 0.00 0.00 54.58 53.76 3a93 n ASN 77 Cb 0.36 -3.89 -0.10 0.00 -0.61 0.00 0.00 39.78 35.54 3a93 n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3a93 s ILE 78 N -3.69 0.08 0.37 2.41 -4.36 -1.26 -5.07 121.20 109.69 3a93 s ILE 78 Ca 0.06 -0.65 -0.27 0.00 -0.26 0.00 0.00 60.65 59.53 3a93 s ILE 78 Cb -0.02 -0.44 -0.09 0.00 1.25 0.00 0.00 42.46 43.16 3a93 s ILE 78 CO 0.82 -0.36 1.27 -2.16 0.24 0.00 0.00 174.94 174.75 3a93 s PRO 79 N -1.34 4.16 0.51 0.37 0.04 -1.26 -1.03 135.00 136.45 3a93 s PRO 79 Ca -0.14 2.10 0.17 0.00 0.04 0.00 0.00 61.00 63.17 3a93 s PRO 79 Cb -0.07 -2.88 1.24 0.00 0.04 0.00 0.00 34.50 32.83 3a93 s PRO 79 CO 0.02 -0.31 2.10 0.00 0.04 0.00 0.00 177.00 178.85 3a93 h SER 81 N 0.08 0.00 0.17 0.00 4.64 -1.91 -0.66 113.55 115.87 3a93 h SER 81 Ca 0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3a93 h SER 81 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3a93 h SER 81 CO -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.93 3a93 h ALA 82 N 1.85 1.19 -0.00 5.18 0.00 -1.58 -1.40 119.26 124.50 3a93 h ALA 82 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3a93 h ALA 82 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3a93 h ALA 82 CO -0.00 0.03 -0.02 1.28 0.00 0.00 0.00 179.25 180.53 3a93 n LEU 83 N -3.39 0.23 -0.72 0.00 4.77 -0.25 -3.37 117.00 114.26 3a93 n LEU 83 Ca -0.02 0.04 0.09 0.00 -0.03 0.00 0.00 56.01 56.09 3a93 n LEU 83 Cb 0.13 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 3a93 n LEU 83 CO 0.25 0.04 0.52 0.18 -1.33 0.00 0.00 177.39 177.05 3a93 n LEU 84 N -0.97 2.49 -4.74 2.23 4.77 -0.53 -3.95 117.00 116.30 3a93 n LEU 84 Ca 0.19 -0.97 -0.34 0.00 -0.03 0.00 0.00 56.01 54.85 3a93 n LEU 84 Cb 0.20 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.37 3a93 n LEU 84 CO 0.20 0.43 0.80 -0.55 -1.33 0.00 0.00 177.39 176.95 3a93 s SER 85 N -1.63 4.52 0.53 -1.43 0.15 -1.22 -4.13 113.70 110.50 3a93 s SER 85 Ca 0.21 2.31 0.29 0.00 0.70 0.00 0.00 55.95 59.46 3a93 s SER 85 Cb 0.16 -2.59 1.46 0.00 -1.71 0.00 0.00 66.02 63.34 3a93 s SER 85 CO 0.26 -2.04 2.06 0.77 1.20 0.00 0.00 173.24 175.49 3a93 h SER 86 N -0.02 0.00 -3.45 5.45 4.64 -1.94 -3.40 113.55 114.83 3a93 h SER 86 Ca -0.48 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.24 3a93 h SER 86 Cb 1.29 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.28 3a93 h SER 86 CO 0.51 0.11 0.08 -0.62 -0.87 0.00 0.00 176.83 176.05 3a93 s ASP 87 N -6.05 6.62 0.00 4.97 -1.08 -1.26 -4.95 116.67 114.92 3a93 s ASP 87 Ca -0.02 0.75 0.23 0.00 -0.52 0.00 0.00 52.55 52.99 3a93 s ASP 87 Cb 0.12 -2.33 0.99 0.00 -1.46 0.00 0.00 42.92 40.24 3a93 s ASP 87 CO 0.57 -0.27 1.68 2.30 0.52 0.00 0.00 175.17 179.98 3a93 n ILE 88 N 4.78 0.10 -0.23 4.11 -5.35 -1.26 -4.41 119.36 117.10 3a93 n ILE 88 Ca -0.02 -0.24 -0.02 0.00 -0.27 0.00 0.00 62.75 62.20 3a93 n ILE 88 Cb 0.50 0.22 0.04 0.00 -1.74 0.00 0.00 39.64 38.66 3a93 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3a93 h THR 89 N 1.70 0.22 -0.54 7.28 2.02 -1.94 -0.09 112.91 121.56 3a93 h THR 89 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3a93 h THR 89 Cb 0.37 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3a93 h THR 89 CO 0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.83 3a93 h ALA 90 N 1.34 0.88 -0.48 6.16 0.00 -1.84 -0.02 119.26 125.29 3a93 h ALA 90 Ca 0.29 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3a93 h ALA 90 Cb 0.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3a93 h ALA 90 CO -0.71 0.65 0.13 0.77 0.00 0.00 0.00 179.25 180.09 3a93 h SER 91 N 0.88 0.73 -0.12 0.00 0.02 -1.63 -1.62 113.55 111.81 3a93 h SER 91 Ca 0.15 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3a93 h SER 91 Cb 0.59 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 3a93 h SER 91 CO 0.04 0.76 0.02 0.58 -1.14 0.00 0.00 176.83 177.09 3a93 h VAL 92 N 0.66 1.22 -0.93 2.27 2.07 -0.68 0.41 116.25 121.26 3a93 h VAL 92 Ca 0.15 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.99 3a93 h VAL 92 Cb 0.31 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3a93 h VAL 92 CO -0.00 0.20 0.62 0.78 0.02 0.00 0.00 177.57 179.19 3a93 h ASN 93 N -0.03 1.06 -0.33 0.57 2.35 -0.95 -0.97 115.58 117.28 3a93 h ASN 93 Ca 0.04 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3a93 h ASN 93 Cb 0.29 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3a93 h ASN 93 CO 0.00 0.76 -0.21 0.00 -1.65 0.00 0.00 177.43 176.34 3a93 h ALA 95 N 0.76 1.65 -0.96 0.00 0.00 -0.46 -0.68 119.26 119.58 3a93 h ALA 95 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a93 h ALA 95 Cb 0.76 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 3a93 h ALA 95 CO 0.06 0.14 0.61 0.87 0.00 0.00 0.00 179.25 180.92 3a93 h LYS 96 N 0.87 1.27 -0.35 0.00 1.57 -1.09 -0.28 116.57 118.56 3a93 h LYS 96 Ca 0.44 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 59.04 3a93 h LYS 96 Cb 0.50 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3a93 h LYS 96 CO -0.20 0.86 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.20 3a93 h LYS 97 N 1.30 0.70 -0.06 3.15 3.64 -1.10 -2.88 116.57 121.32 3a93 h LYS 97 Ca 0.35 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3a93 h LYS 97 Cb -0.11 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3a93 h LYS 97 CO -0.07 0.88 0.04 0.82 -2.27 0.00 0.00 179.45 178.85 3a93 h ILE 98 N 0.49 1.03 0.00 2.00 2.04 -0.82 -2.73 117.51 119.53 3a93 h ILE 98 Ca 0.08 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3a93 h ILE 98 Cb 0.64 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3a93 h ILE 98 CO 0.04 0.03 0.00 1.62 0.00 0.00 0.00 178.15 179.84 3a93 h VAL 99 N 0.06 0.00 -0.01 1.67 3.04 -1.09 -1.80 116.25 118.13 3a93 h VAL 99 Ca 0.02 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3a93 h VAL 99 Cb 0.02 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 3a93 h VAL 99 CO -0.00 0.00 -0.15 -1.20 -1.01 0.00 0.00 177.57 175.20 3a93 n SER 100 N -2.58 1.02 0.03 3.17 7.64 -1.04 -3.60 113.62 118.26 3a93 n SER 100 Ca 0.01 -1.00 0.10 0.00 1.01 0.00 0.00 58.87 58.99 3a93 n SER 100 Cb 0.25 0.06 0.43 0.00 -1.01 0.00 0.00 64.21 63.94 3a93 n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3a93 n ASP 101 N -0.49 0.21 0.00 6.43 2.03 -0.68 -4.88 116.55 119.17 3a93 n ASP 101 Ca 0.15 0.54 0.00 0.00 0.52 0.00 0.00 54.79 56.00 3a93 n ASP 101 Cb 0.33 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 3a93 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a93 n GLY 102 N 0.53 2.13 1.19 0.27 0.00 -1.26 -4.95 105.19 103.11 3a93 n GLY 102 Ca 0.04 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.78 3a93 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a93 n ASN 103 N 0.00 3.94 0.00 1.61 3.02 -1.26 -5.06 115.26 117.51 3a93 n ASN 103 Ca 0.00 -2.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.31 3a93 n ASN 103 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 3a93 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a93 n GLY 104 N 0.97 2.17 0.00 7.41 0.00 -1.24 -2.03 105.19 112.48 3a93 n GLY 104 Ca 0.21 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.93 3a93 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a93 n MET 105 N 9.41 0.67 0.16 1.61 2.81 -1.26 -3.00 117.12 127.52 3a93 n MET 105 Ca 0.00 0.02 0.12 0.00 -1.81 0.00 0.00 57.70 56.03 3a93 n MET 105 Cb 0.00 -1.50 0.58 0.00 -0.71 0.00 0.00 33.22 31.59 3a93 n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3a93 h ASN 106 N 0.00 0.00 -0.30 7.83 2.35 -1.82 -0.82 115.58 122.82 3a93 h ASN 106 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 3a93 h ASN 106 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3a93 h ASN 106 CO 0.00 0.00 0.21 0.00 -1.65 0.00 0.00 177.43 175.99 3a93 h ALA 107 N 2.10 2.25 -2.10 -0.83 0.00 -1.70 -3.34 119.26 115.63 3a93 h ALA 107 Ca 0.00 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.20 3a93 h ALA 107 Cb 0.15 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.76 3a93 h ALA 107 CO 0.00 -0.33 -0.00 -1.58 0.00 0.00 0.00 179.25 177.34 3a93 s TRP 108 N -5.06 3.07 0.30 0.00 0.51 -0.31 -4.94 118.94 112.51 3a93 s TRP 108 Ca -0.05 -0.67 -0.00 0.00 -2.12 0.00 0.00 56.10 53.26 3a93 s TRP 108 Cb 0.18 -3.56 0.51 0.00 -0.81 0.00 0.00 33.47 29.79 3a93 s TRP 108 CO 0.70 -1.04 1.93 0.28 -0.51 0.00 0.00 176.95 178.32 3a93 h VAL 109 N 5.86 1.12 -0.16 4.03 2.07 -1.84 -0.70 116.25 126.63 3a93 h VAL 109 Ca -0.28 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 3a93 h VAL 109 Cb 1.10 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3a93 h VAL 109 CO 0.97 0.19 -0.13 0.00 0.02 0.00 0.00 177.57 178.62 3a93 h ALA 110 N 1.50 1.49 -0.19 1.67 0.00 -1.93 -0.15 119.26 121.66 3a93 h ALA 110 Ca 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3a93 h ALA 110 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3a93 h ALA 110 CO -0.12 0.36 -0.00 2.35 0.00 0.00 0.00 179.25 181.84 3a93 h TRP 111 N 0.24 0.37 -0.70 0.00 7.01 -1.45 -0.74 115.95 120.66 3a93 h TRP 111 Ca 0.05 -0.06 0.01 0.00 2.11 0.00 0.00 58.89 60.99 3a93 h TRP 111 Cb 0.39 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.32 3a93 h TRP 111 CO 0.01 0.54 0.46 -0.09 -2.79 0.00 0.00 178.44 176.57 3a93 h ARG 112 N 0.09 0.93 0.00 2.65 2.43 -0.90 0.22 114.38 119.80 3a93 h ARG 112 Ca 0.05 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3a93 h ARG 112 Cb 0.40 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3a93 h ARG 112 CO 0.01 0.62 -0.48 -0.91 -1.51 0.00 0.00 179.97 177.71 3a93 h ASN 113 N 0.95 0.00 0.00 -3.80 2.35 -1.03 -3.37 115.58 110.68 3a93 h ASN 113 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3a93 h ASN 113 Cb -0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3a93 h ASN 113 CO -0.05 0.29 -0.35 0.54 -1.65 0.00 0.00 177.43 176.20 3a93 n ARG 114 N -3.09 3.21 -0.02 0.81 1.74 -0.29 -4.89 116.66 114.13 3a93 n ARG 114 Ca 0.01 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.06 3a93 n ARG 114 Cb 0.66 -0.60 -0.01 0.00 -1.02 0.00 0.00 32.46 31.49 3a93 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a93 n LYS 116 N -2.82 1.51 0.00 0.00 4.81 0.59 -1.17 118.16 121.08 3a93 n LYS 116 Ca -0.06 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 3a93 n LYS 116 Cb 0.56 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.34 3a93 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a93 n GLY 117 N 3.53 2.36 3.94 3.14 0.00 -1.26 -4.96 105.19 111.94 3a93 n GLY 117 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3a93 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a93 s THR 118 N -2.55 2.21 -1.30 2.61 -4.23 -0.32 -4.96 115.64 107.10 3a93 s THR 118 Ca 0.00 -0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 60.04 3a93 s THR 118 Cb 0.00 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 70.95 3a93 s THR 118 CO 0.00 0.00 1.95 -0.67 -0.54 0.00 0.00 174.62 175.36 3a93 n ASP 119 N -3.04 4.17 0.29 3.99 2.03 -1.26 -4.75 116.55 117.98 3a93 n ASP 119 Ca 0.11 -2.85 0.18 0.00 0.52 0.00 0.00 54.79 52.75 3a93 n ASP 119 Cb 0.60 -1.66 0.82 0.00 -0.72 0.00 0.00 41.12 40.16 3a93 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3a93 h VAL 120 N 4.97 0.00 -0.13 5.18 -1.51 -1.90 -2.45 116.25 120.40 3a93 h VAL 120 Ca 0.47 -0.35 0.04 0.00 -1.23 0.00 0.00 66.70 65.62 3a93 h VAL 120 Cb 0.78 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 3a93 h VAL 120 CO 1.63 0.00 0.11 1.56 -1.23 0.00 0.00 177.57 179.64 3a93 h GLN 121 N 0.00 0.00 -0.69 5.19 4.20 -1.88 -0.92 115.11 121.01 3a93 h GLN 121 Ca 0.00 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.90 3a93 h GLN 121 Cb 0.36 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3a93 h GLN 121 CO 0.00 0.00 0.49 0.00 -0.67 0.00 0.00 178.83 178.65 3a93 h ALA 122 N 1.91 2.55 0.00 3.87 0.00 -1.84 -1.64 119.26 124.11 3a93 h ALA 122 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a93 h ALA 122 Cb 0.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3a93 h ALA 122 CO -0.00 -0.75 0.00 -1.49 0.00 0.00 0.00 179.25 177.01 3a93 h TRP 123 N 0.07 0.00 -0.03 0.00 4.06 -1.38 -2.76 115.95 115.90 3a93 h TRP 123 Ca 0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.28 3a93 h TRP 123 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 3a93 h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 3a93 n ILE 124 N -2.31 0.55 -1.82 1.49 -5.35 -0.64 -4.81 119.36 106.46 3a93 n ILE 124 Ca 0.02 -0.77 -0.42 0.00 -0.27 0.00 0.00 62.75 61.31 3a93 n ILE 124 Cb 0.24 0.74 -0.02 0.00 -1.74 0.00 0.00 39.64 38.86 3a93 n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3a93 s ARG 125 N -0.61 4.16 0.00 6.28 1.81 -1.04 -2.27 118.95 127.27 3a93 s ARG 125 Ca 0.03 2.51 0.00 0.00 -1.72 0.00 0.00 55.73 56.55 3a93 s ARG 125 Cb 0.02 -3.08 0.00 0.00 -0.45 0.00 0.00 34.95 31.44 3a93 s ARG 125 CO 0.02 -0.64 0.00 0.41 -0.68 0.00 0.00 175.30 174.41 3a93 n GLY 126 N 3.07 1.87 3.77 -3.53 0.00 -1.26 -5.04 105.19 104.07 3a93 n GLY 126 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3a93 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a93 s ARG 128 N -1.01 3.38 0.00 0.00 0.52 -1.26 -5.13 118.95 115.45 3a93 s ARG 128 Ca 0.37 -0.66 0.07 0.00 -0.52 0.00 0.00 55.73 54.98 3a93 s ARG 128 Cb -0.23 -4.75 0.05 0.00 0.52 0.00 0.00 34.95 30.55 3a93 s ARG 128 CO 0.26 -2.18 0.71 1.28 0.02 0.00 0.00 175.30 175.39