#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fbi s VAL 2 N 0.00 0.59 0.09 3.15 -7.23 -1.24 0.06 120.40 115.82 1fbi s VAL 2 Ca 0.00 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 1fbi s VAL 2 Cb 0.00 -0.59 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 1fbi s VAL 2 CO 0.00 0.23 0.24 -0.36 -0.31 0.00 0.00 175.10 174.90 1fbi s PHE 3 N 0.71 3.51 0.00 2.82 0.40 -0.31 -5.01 117.98 120.10 1fbi s PHE 3 Ca -0.10 0.23 -0.20 0.00 -0.60 0.00 0.00 56.93 56.26 1fbi s PHE 3 Cb -0.13 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.60 1fbi s PHE 3 CO 0.01 0.56 0.59 0.20 0.70 0.00 0.00 175.22 177.27 1fbi s GLY 4 N -2.72 2.62 0.07 4.36 0.00 -1.26 -4.76 107.32 105.62 1fbi s GLY 4 Ca 0.35 0.03 -0.04 0.00 0.00 0.00 0.00 44.72 45.06 1fbi s GLY 4 CO 0.28 0.71 0.43 -2.13 0.00 0.00 0.00 173.10 172.39 1fbi n ARG 5 N 2.60 -0.05 -0.02 2.90 0.63 -1.26 0.26 116.66 121.72 1fbi n ARG 5 Ca -0.07 0.43 -0.16 0.00 -0.92 0.00 0.00 57.85 57.12 1fbi n ARG 5 Cb 0.51 -0.63 -0.10 0.00 0.45 0.00 0.00 32.46 32.68 1fbi n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1fbi h GLU 7 N -0.18 -0.22 0.81 0.00 4.81 0.32 0.47 114.58 120.59 1fbi h GLU 7 Ca -0.05 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1fbi h GLU 7 Cb 1.14 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1fbi h GLU 7 CO 0.09 -0.15 -0.44 1.25 -0.73 0.00 0.00 179.01 179.03 1fbi h LEU 8 N -0.23 -1.07 -1.56 1.64 5.85 -0.90 -2.27 115.31 116.77 1fbi h LEU 8 Ca 0.16 0.05 0.46 0.00 0.84 0.00 0.00 57.88 59.39 1fbi h LEU 8 Cb 0.56 0.30 -0.11 0.00 0.37 0.00 0.00 40.66 41.77 1fbi h LEU 8 CO -0.70 -0.71 0.97 0.00 -0.34 0.00 0.00 178.44 177.66 1fbi h ALA 9 N -1.35 2.99 0.57 1.25 0.00 0.05 0.17 119.26 122.95 1fbi h ALA 9 Ca -0.11 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1fbi h ALA 9 Cb 0.90 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1fbi h ALA 9 CO 0.15 -1.60 -0.28 0.00 0.00 0.00 0.00 179.25 177.52 1fbi h ALA 10 N 1.47 -0.77 -0.31 0.00 0.00 0.43 -2.70 119.26 117.38 1fbi h ALA 10 Ca 0.84 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.61 1fbi h ALA 10 Cb 2.82 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 20.86 1fbi h ALA 10 CO -0.32 -0.76 -0.04 0.00 0.00 0.00 0.00 179.25 178.13 1fbi h ALA 11 N -0.98 0.24 -0.95 0.00 0.00 -0.27 -0.26 119.26 117.05 1fbi h ALA 11 Ca -0.08 0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.09 1fbi h ALA 11 Cb 0.64 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 1fbi h ALA 11 CO 0.13 -0.44 0.60 0.52 0.00 0.00 0.00 179.25 180.07 1fbi h MET 12 N 0.05 0.73 -0.10 0.00 2.86 -1.18 -1.17 114.93 116.12 1fbi h MET 12 Ca 0.15 -0.04 -0.23 0.00 -2.06 0.00 0.00 59.70 57.51 1fbi h MET 12 Cb 0.21 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 31.72 1fbi h MET 12 CO -0.28 0.49 -0.85 -0.22 1.06 0.00 0.00 176.91 177.10 1fbi h LYS 13 N 0.76 0.73 0.00 1.72 3.64 -0.92 -2.34 116.57 120.16 1fbi h LYS 13 Ca 0.49 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1fbi h LYS 13 Cb 0.75 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1fbi h LYS 13 CO -0.26 1.25 0.00 -2.13 -2.27 0.00 0.00 179.45 176.04 1fbi n ARG 14 N -3.90 0.04 -2.60 1.90 0.63 -0.22 -2.39 116.66 110.13 1fbi n ARG 14 Ca -0.08 0.29 -0.22 0.00 -0.92 0.00 0.00 57.85 56.92 1fbi n ARG 14 Cb 0.78 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.20 1fbi n ARG 14 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1fbi n HIS 15 N -1.45 2.78 -3.86 -0.14 8.25 -0.94 -5.00 115.22 114.85 1fbi n HIS 15 Ca 0.03 -3.15 -0.27 0.00 -0.26 0.00 0.00 57.72 54.07 1fbi n HIS 15 Cb 0.11 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 30.99 1fbi n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fbi n GLY 16 N -0.32 -0.36 0.00 -1.41 0.00 -1.00 -4.84 105.19 97.26 1fbi n GLY 16 Ca 0.30 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.59 1fbi n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fbi n LEU 17 N -3.56 0.72 -4.69 0.99 4.77 -0.89 -4.71 117.00 109.64 1fbi n LEU 17 Ca -0.13 -0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 55.01 1fbi n LEU 17 Cb 0.41 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1fbi n LEU 17 CO 0.52 0.18 1.20 -0.62 -1.33 0.00 0.00 177.39 177.34 1fbi s ASP 18 N -2.95 6.76 0.00 -1.43 -1.08 -1.26 -2.94 116.67 113.76 1fbi s ASP 18 Ca 0.05 2.25 0.00 0.00 -0.52 0.00 0.00 52.55 54.32 1fbi s ASP 18 Cb 0.13 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1fbi s ASP 18 CO 0.75 -0.79 0.00 0.59 0.52 0.00 0.00 175.17 176.25 1fbi n ASN 19 N 5.50 0.00 -4.64 -0.34 3.02 0.50 -4.90 115.26 114.40 1fbi n ASN 19 Ca 0.14 0.00 -0.55 0.00 -0.03 0.00 0.00 54.58 54.14 1fbi n ASN 19 Cb 0.42 -1.75 -0.07 0.00 -0.61 0.00 0.00 39.78 37.77 1fbi n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fbi n TYR 20 N -2.00 1.70 -1.46 3.10 4.19 -1.15 0.28 117.16 121.81 1fbi n TYR 20 Ca 0.00 0.64 -0.16 0.00 3.31 0.00 0.00 57.90 61.69 1fbi n TYR 20 Cb 0.00 -2.37 -0.07 0.00 0.49 0.00 0.00 39.34 37.39 1fbi n TYR 20 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1fbi n ARG 21 N 3.72 -1.58 -0.63 2.98 5.12 -1.26 -0.99 116.66 124.01 1fbi n ARG 21 Ca 0.22 1.06 0.00 0.00 -1.93 0.00 0.00 57.85 57.20 1fbi n ARG 21 Cb 0.15 -5.47 0.00 0.00 -1.16 0.00 0.00 32.46 25.98 1fbi n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fbi n GLY 22 N -0.06 0.66 3.43 -0.13 0.00 0.79 -5.06 105.19 104.82 1fbi n GLY 22 Ca -0.16 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 1fbi n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fbi s TYR 23 N -2.00 3.16 0.33 1.61 2.02 -0.16 -4.84 117.35 117.46 1fbi s TYR 23 Ca 0.00 -0.58 -0.27 0.00 -0.37 0.00 0.00 57.07 55.86 1fbi s TYR 23 Cb 0.00 -2.32 -0.09 0.00 -0.40 0.00 0.00 41.96 39.15 1fbi s TYR 23 CO 0.00 -0.44 1.00 -1.12 -1.57 0.00 0.00 175.55 173.42 1fbi s SER 24 N 1.60 7.20 0.15 2.29 0.01 -1.26 0.19 113.70 123.88 1fbi s SER 24 Ca 0.05 1.99 -0.01 0.00 1.31 0.00 0.00 55.95 59.29 1fbi s SER 24 Cb -0.17 -2.59 0.33 0.00 0.21 0.00 0.00 66.02 63.80 1fbi s SER 24 CO 0.05 -0.17 0.78 -0.11 0.41 0.00 0.00 173.24 174.20 1fbi n LEU 25 N 0.62 -0.10 -0.32 2.44 0.00 -1.26 -0.40 117.00 117.98 1fbi n LEU 25 Ca 0.02 0.85 0.02 0.00 0.00 0.00 0.00 56.01 56.90 1fbi n LEU 25 Cb 0.49 -0.29 0.10 0.00 0.00 0.00 0.00 43.42 43.71 1fbi n LEU 25 CO 0.47 -0.85 0.66 1.23 0.00 0.00 0.00 177.39 178.90 1fbi h GLY 26 N 0.00 0.49 1.35 -3.96 0.00 -1.92 -0.43 103.07 98.60 1fbi h GLY 26 Ca 0.28 0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.99 1fbi h GLY 26 CO -0.48 -0.31 0.37 3.43 0.00 0.00 0.00 176.54 179.55 1fbi h ASN 27 N -0.01 0.56 0.86 0.19 2.35 -1.02 -0.74 115.58 117.77 1fbi h ASN 27 Ca 0.40 -0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.93 1fbi h ASN 27 Cb 0.64 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1fbi h ASN 27 CO -0.92 0.39 -0.98 -0.50 -1.65 0.00 0.00 177.43 173.77 1fbi h TRP 28 N 0.66 0.10 -0.01 1.19 4.06 -1.22 -0.98 115.95 119.75 1fbi h TRP 28 Ca 0.22 -0.07 -0.15 0.00 2.06 0.00 0.00 58.89 60.95 1fbi h TRP 28 Cb 0.07 -0.01 0.01 0.00 -1.00 0.00 0.00 29.16 28.24 1fbi h TRP 28 CO -0.00 1.00 -0.59 0.28 -3.56 0.00 0.00 178.44 175.57 1fbi h VAL 29 N 0.02 1.42 0.27 1.49 2.07 -1.04 -2.31 116.25 118.17 1fbi h VAL 29 Ca -0.03 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.42 1fbi h VAL 29 Cb 1.70 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 34.04 1fbi h VAL 29 CO 0.14 0.60 -0.13 0.00 0.02 0.00 0.00 177.57 178.20 1fbi n ALA 31 N -2.32 0.10 0.16 0.00 0.00 -0.37 0.11 120.51 118.19 1fbi n ALA 31 Ca -0.10 1.05 0.05 0.00 0.00 0.00 0.00 53.44 54.44 1fbi n ALA 31 Cb 0.20 -0.57 0.49 0.00 0.00 0.00 0.00 19.45 19.58 1fbi n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fbi h ALA 32 N 1.74 1.73 -1.40 0.00 0.00 -1.19 -2.97 119.26 117.18 1fbi h ALA 32 Ca 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1fbi h ALA 32 Cb 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1fbi h ALA 32 CO -1.00 0.21 0.00 1.17 0.00 0.00 0.00 179.25 179.63 1fbi n LYS 33 N -4.40 0.00 0.00 0.00 3.00 0.30 -1.03 118.16 116.03 1fbi n LYS 33 Ca -0.01 0.27 0.05 0.00 -0.00 0.00 0.00 58.31 58.61 1fbi n LYS 33 Cb 0.17 -1.26 0.28 0.00 0.00 0.00 0.00 35.03 34.22 1fbi n LYS 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1fbi n PHE 34 N -1.30 0.00 -0.10 5.64 3.01 -1.16 0.96 117.46 124.51 1fbi n PHE 34 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.31 1fbi n PHE 34 Cb 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 1fbi n PHE 34 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1fbi n GLU 35 N -0.96 0.54 0.00 -1.08 4.07 -1.12 -4.84 120.64 117.25 1fbi n GLU 35 Ca 0.07 0.22 0.00 0.00 -0.06 0.00 0.00 57.16 57.39 1fbi n GLU 35 Cb 0.03 -1.43 0.00 0.00 -0.06 0.00 0.00 31.44 29.98 1fbi n GLU 35 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1fbi n SER 36 N -4.37 0.26 -3.66 4.31 3.41 -0.20 -4.90 113.62 108.48 1fbi n SER 36 Ca -0.27 -0.60 -0.23 0.00 -0.26 0.00 0.00 58.87 57.51 1fbi n SER 36 Cb 0.63 0.37 0.06 0.00 -0.26 0.00 0.00 64.21 65.01 1fbi n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1fbi n ASN 37 N -0.37 -3.56 -2.59 4.04 2.85 0.27 -1.57 115.26 114.33 1fbi n ASN 37 Ca 0.00 -0.69 -0.20 0.00 -0.11 0.00 0.00 54.58 53.58 1fbi n ASN 37 Cb 0.04 -4.53 0.02 0.00 1.24 0.00 0.00 39.78 36.54 1fbi n ASN 37 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1fbi n PHE 38 N -4.52 -1.47 -3.90 1.20 3.72 -1.17 -4.83 117.46 106.48 1fbi n PHE 38 Ca -0.14 0.29 -0.35 0.00 -0.05 0.00 0.00 57.45 57.20 1fbi n PHE 38 Cb 0.61 -4.09 -0.14 0.00 -0.94 0.00 0.00 39.48 34.92 1fbi n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1fbi s ASN 39 N -2.47 4.79 0.18 4.37 2.47 -0.61 -1.17 114.94 122.50 1fbi s ASN 39 Ca 0.17 -1.10 -0.14 0.00 0.42 0.00 0.00 52.86 52.21 1fbi s ASN 39 Cb -0.07 -1.73 0.17 0.00 -1.45 0.00 0.00 41.25 38.17 1fbi s ASN 39 CO 0.21 -0.22 1.71 -1.28 -3.72 0.00 0.00 177.10 173.79 1fbi h SER 40 N 8.04 -0.05 0.00 -4.21 0.87 -0.70 -2.28 113.55 115.22 1fbi h SER 40 Ca -0.25 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1fbi h SER 40 Cb 1.08 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1fbi h SER 40 CO 0.56 0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.86 1fbi n GLN 41 N -5.14 0.93 -2.22 2.24 3.00 -1.26 -3.57 117.38 111.36 1fbi n GLN 41 Ca 0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.72 1fbi n GLN 41 Cb 0.24 -1.41 -0.04 0.00 0.00 0.00 0.00 30.24 29.03 1fbi n GLN 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1fbi s ALA 42 N -1.12 2.16 0.74 -1.58 0.00 -0.86 -4.94 121.76 116.16 1fbi s ALA 42 Ca 0.00 -2.14 -0.08 0.00 0.00 0.00 0.00 51.96 49.74 1fbi s ALA 42 Cb 0.00 -4.62 0.06 0.00 0.00 0.00 0.00 23.12 18.56 1fbi s ALA 42 CO 0.00 -4.56 1.07 0.95 0.00 0.00 0.00 175.76 173.22 1fbi s THR 43 N 8.74 2.25 -0.29 0.00 -4.23 -1.26 -4.45 115.64 116.39 1fbi s THR 43 Ca 0.63 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1fbi s THR 43 Cb -0.01 -3.02 0.19 0.00 1.34 0.00 0.00 72.50 71.00 1fbi s THR 43 CO 0.06 -0.03 0.69 0.21 -0.54 0.00 0.00 174.62 175.01 1fbi s ASN 44 N -4.53 -1.31 0.75 3.99 2.47 -1.11 -4.94 114.94 110.26 1fbi s ASN 44 Ca 0.60 0.34 -0.14 0.00 0.42 0.00 0.00 52.86 54.09 1fbi s ASN 44 Cb -0.11 1.91 0.05 0.00 -1.45 0.00 0.00 41.25 41.65 1fbi s ASN 44 CO 0.46 -0.24 1.17 -0.13 -3.72 0.00 0.00 177.10 174.64 1fbi s ARG 45 N 2.86 2.07 0.10 0.43 3.00 -1.26 -2.38 118.95 123.78 1fbi s ARG 45 Ca 0.14 1.60 0.06 0.00 0.00 0.00 0.00 55.73 57.54 1fbi s ARG 45 Cb -0.10 -1.84 -0.03 0.00 0.00 0.00 0.00 34.95 32.97 1fbi s ARG 45 CO -0.23 -1.85 -0.15 -0.80 0.00 0.00 0.00 175.30 172.27 1fbi s ASN 46 N -2.37 1.94 -1.37 0.23 0.01 -0.29 -4.91 114.94 108.19 1fbi s ASN 46 Ca 0.70 -0.74 -0.15 0.00 -0.71 0.00 0.00 52.86 51.97 1fbi s ASN 46 Cb -0.25 -0.07 0.07 0.00 0.41 0.00 0.00 41.25 41.41 1fbi s ASN 46 CO 0.48 -0.11 1.99 1.07 -1.51 0.00 0.00 177.10 179.02 1fbi n THR 47 N 0.82 3.76 0.00 1.60 5.66 -1.26 -2.78 114.28 122.08 1fbi n THR 47 Ca -0.18 -3.62 0.00 0.00 -3.05 0.00 0.00 64.05 57.20 1fbi n THR 47 Cb 0.56 -2.49 0.00 0.00 -1.55 0.00 0.00 70.33 66.85 1fbi n THR 47 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1fbi n ASP 48 N 6.48 0.00 0.00 1.09 2.03 -1.26 -4.98 116.55 119.91 1fbi n ASP 48 Ca 0.49 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1fbi n ASP 48 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1fbi n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fbi n GLY 49 N 0.00 0.00 3.77 0.27 0.00 -1.12 -4.88 105.19 103.24 1fbi n GLY 49 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1fbi n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fbi s SER 50 N -0.93 5.48 -0.02 1.61 1.04 -1.26 -4.57 113.70 115.05 1fbi s SER 50 Ca 0.00 2.08 0.01 0.00 0.48 0.00 0.00 55.95 58.51 1fbi s SER 50 Cb 0.00 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.57 1fbi s SER 50 CO 0.00 -1.38 -0.01 -0.89 0.98 0.00 0.00 173.24 171.94 1fbi s THR 51 N -2.05 0.19 -0.06 2.02 2.01 -1.26 -1.13 115.64 115.35 1fbi s THR 51 Ca 0.70 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.55 1fbi s THR 51 Cb -0.22 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 1fbi s THR 51 CO 0.33 0.11 0.38 -1.81 -0.69 0.00 0.00 174.62 172.95 1fbi s ASP 52 N 0.58 6.68 0.36 3.53 1.01 -1.00 -2.68 116.67 125.15 1fbi s ASP 52 Ca -0.06 0.81 0.05 0.00 0.71 0.00 0.00 52.55 54.06 1fbi s ASP 52 Cb -0.09 -2.23 -0.07 0.00 1.01 0.00 0.00 42.92 41.54 1fbi s ASP 52 CO -0.01 0.22 0.04 -0.31 0.21 0.00 0.00 175.17 175.32 1fbi s TYR 53 N -0.41 2.18 0.33 4.23 1.51 -0.96 -2.76 117.35 121.47 1fbi s TYR 53 Ca 0.22 -0.85 0.00 0.00 -1.01 0.00 0.00 57.07 55.44 1fbi s TYR 53 Cb -0.15 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.23 1fbi s TYR 53 CO 0.10 0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.13 1fbi n GLY 54 N -0.79 -2.01 0.14 0.71 0.00 -1.14 -2.16 105.19 99.93 1fbi n GLY 54 Ca -0.03 -1.18 -0.05 0.00 0.00 0.00 0.00 46.02 44.76 1fbi n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fbi h VAL 55 N -1.21 0.00 -3.37 1.61 2.07 -1.74 -3.34 116.25 110.27 1fbi h VAL 55 Ca 0.00 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.99 1fbi h VAL 55 Cb 1.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1fbi h VAL 55 CO 0.02 0.00 0.52 -0.76 0.02 0.00 0.00 177.57 177.37 1fbi s LEU 56 N -6.41 4.42 -1.40 2.57 1.43 -1.26 -3.67 118.68 114.35 1fbi s LEU 56 Ca -0.05 2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 54.98 1fbi s LEU 56 Cb 0.02 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 1fbi s LEU 56 CO 0.17 -0.36 2.55 0.00 0.23 0.00 0.00 176.35 178.94 1fbi n GLN 57 N 3.22 3.04 -2.12 1.70 1.13 -1.25 -4.63 117.38 118.46 1fbi n GLN 57 Ca 0.06 -2.16 -0.42 0.00 -1.94 0.00 0.00 57.00 52.53 1fbi n GLN 57 Cb 0.46 -2.89 -0.03 0.00 0.11 0.00 0.00 30.24 27.90 1fbi n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1fbi s ILE 58 N 2.87 3.69 0.51 5.09 1.01 -0.92 -4.51 121.20 128.94 1fbi s ILE 58 Ca 0.58 0.92 -0.21 0.00 0.00 0.00 0.00 60.65 61.94 1fbi s ILE 58 Cb 0.15 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 38.96 1fbi s ILE 58 CO -0.05 -0.06 1.11 0.21 0.00 0.00 0.00 174.94 176.15 1fbi s ASN 59 N 2.72 6.02 0.00 3.58 3.84 -1.26 -2.25 114.94 127.59 1fbi s ASN 59 Ca 0.68 2.13 0.28 0.00 0.21 0.00 0.00 52.86 56.17 1fbi s ASN 59 Cb -0.31 -2.58 1.15 0.00 -0.55 0.00 0.00 41.25 38.95 1fbi s ASN 59 CO 0.26 -1.01 1.80 -1.54 -2.79 0.00 0.00 177.10 173.82 1fbi n SER 60 N -0.99 1.29 0.00 -4.21 3.41 -1.09 -2.97 113.62 109.06 1fbi n SER 60 Ca 0.10 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1fbi n SER 60 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1fbi n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1fbi n ARG 61 N -0.01 0.00 0.00 4.33 0.63 -1.26 -4.29 116.66 116.06 1fbi n ARG 61 Ca 0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 1fbi n ARG 61 Cb 0.32 -0.07 0.00 0.00 0.45 0.00 0.00 32.46 33.16 1fbi n ARG 61 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1fbi n TRP 62 N 0.00 0.00 0.40 -0.14 5.03 -1.26 -1.84 117.44 119.62 1fbi n TRP 62 Ca 0.00 0.00 0.06 0.00 3.03 0.00 0.00 57.50 60.59 1fbi n TRP 62 Cb 0.00 -0.09 0.28 0.00 -1.03 0.00 0.00 31.31 30.47 1fbi n TRP 62 CO 0.00 0.00 0.00 0.91 -0.03 0.00 0.00 177.69 178.57 1fbi n TRP 63 N -1.02 0.10 -4.04 -5.99 7.02 -1.24 0.83 117.44 113.09 1fbi n TRP 63 Ca 0.00 0.04 -0.08 0.00 -1.02 0.00 0.00 57.50 56.44 1fbi n TRP 63 Cb 0.00 -0.57 -0.10 0.00 -2.42 0.00 0.00 31.31 28.22 1fbi n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1fbi s ASN 65 N -2.27 3.00 0.00 0.00 3.84 -0.56 -4.33 114.94 114.62 1fbi s ASN 65 Ca -0.03 -0.60 0.00 0.00 0.21 0.00 0.00 52.86 52.44 1fbi s ASN 65 Cb -0.00 -1.39 0.00 0.00 -0.55 0.00 0.00 41.25 39.30 1fbi s ASN 65 CO -0.06 0.00 0.31 -0.90 -2.79 0.00 0.00 177.10 173.66 1fbi n ASP 66 N 4.54 0.61 0.00 -4.21 5.68 -1.26 -0.68 116.55 121.23 1fbi n ASP 66 Ca -0.20 -0.83 0.00 0.00 -0.50 0.00 0.00 54.79 53.26 1fbi n ASP 66 Cb 0.50 0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 1fbi n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fbi n GLY 67 N 0.25 1.99 0.00 6.12 0.00 -1.26 -4.76 105.19 107.54 1fbi n GLY 67 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1fbi n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fbi n ARG 68 N 0.00 0.12 -3.86 1.61 1.74 -1.26 -4.69 116.66 110.32 1fbi n ARG 68 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1fbi n ARG 68 Cb 0.00 -1.06 -0.12 0.00 -1.02 0.00 0.00 32.46 30.26 1fbi n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fbi s THR 69 N -2.00 4.24 0.36 0.55 2.01 -1.26 -4.92 115.64 114.62 1fbi s THR 69 Ca 0.01 -0.20 -0.23 0.00 0.31 0.00 0.00 61.69 61.57 1fbi s THR 69 Cb 0.00 -2.96 -0.10 0.00 0.01 0.00 0.00 72.50 69.45 1fbi s THR 69 CO 0.00 0.37 0.92 -2.16 -0.69 0.00 0.00 174.62 173.07 1fbi s PRO 70 N 1.35 4.38 0.00 4.92 0.04 -1.26 -3.76 135.00 140.68 1fbi s PRO 70 Ca 0.05 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1fbi s PRO 70 Cb -0.15 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1fbi s PRO 70 CO 0.03 0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.63 1fbi n GLY 71 N 0.04 0.52 3.73 0.56 0.00 -1.26 -4.95 105.19 103.82 1fbi n GLY 71 Ca 0.04 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1fbi n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fbi s SER 72 N -2.80 6.63 -0.00 1.61 0.15 -1.25 -4.64 113.70 113.40 1fbi s SER 72 Ca 0.00 2.61 0.06 0.00 0.70 0.00 0.00 55.95 59.32 1fbi s SER 72 Cb 0.00 -2.60 -0.08 0.00 -1.71 0.00 0.00 66.02 61.63 1fbi s SER 72 CO 0.00 -0.77 0.18 0.54 1.20 0.00 0.00 173.24 174.39 1fbi n ARG 73 N 3.43 2.52 -3.94 5.44 1.74 -0.77 -4.99 116.66 120.09 1fbi n ARG 73 Ca 0.11 -0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.88 1fbi n ARG 73 Cb 0.39 -0.96 0.01 0.00 -1.02 0.00 0.00 32.46 30.88 1fbi n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1fbi n ASN 74 N -1.43 -2.42 0.20 0.55 2.85 0.24 -4.83 115.26 110.43 1fbi n ASN 74 Ca -0.00 -0.78 0.07 0.00 -0.11 0.00 0.00 54.58 53.76 1fbi n ASN 74 Cb 0.12 -0.93 0.42 0.00 1.24 0.00 0.00 39.78 40.63 1fbi n ASN 74 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1fbi h LEU 75 N -0.30 0.00 -0.13 1.20 4.07 -1.60 -1.89 115.31 116.66 1fbi h LEU 75 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1fbi h LEU 75 Cb 0.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.57 1fbi h LEU 75 CO 0.31 0.32 -0.05 0.00 -1.08 0.00 0.00 178.44 177.93 1fbi n ASN 77 N -1.05 -5.82 -3.63 0.00 5.15 -0.71 -4.96 115.26 104.24 1fbi n ASN 77 Ca 0.16 -0.76 -0.14 0.00 -0.60 0.00 0.00 54.58 53.24 1fbi n ASN 77 Cb 0.24 -3.34 -0.07 0.00 -0.53 0.00 0.00 39.78 36.08 1fbi n ASN 77 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1fbi s ILE 78 N -3.20 0.00 0.11 -1.44 1.10 -1.26 -5.11 121.20 111.39 1fbi s ILE 78 Ca 0.21 0.00 -0.28 0.00 -0.51 0.00 0.00 60.65 60.08 1fbi s ILE 78 Cb -0.08 -1.00 -0.06 0.00 0.15 0.00 0.00 42.46 41.47 1fbi s ILE 78 CO 0.85 0.00 0.87 -2.16 -2.11 0.00 0.00 174.94 172.39 1fbi s PRO 79 N 0.30 4.63 0.35 3.50 0.04 -1.26 -1.50 135.00 141.06 1fbi s PRO 79 Ca -0.00 1.29 0.15 0.00 0.04 0.00 0.00 61.00 62.48 1fbi s PRO 79 Cb -0.05 -3.35 1.13 0.00 0.04 0.00 0.00 34.50 32.27 1fbi s PRO 79 CO 0.01 0.31 1.62 0.00 0.04 0.00 0.00 177.00 178.99 1fbi n SER 81 N -5.18 0.27 0.27 0.00 7.64 -1.26 0.60 113.62 115.96 1fbi n SER 81 Ca 0.33 1.44 0.18 0.00 1.01 0.00 0.00 58.87 61.83 1fbi n SER 81 Cb 1.06 -0.71 0.82 0.00 -1.01 0.00 0.00 64.21 64.37 1fbi n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fbi h ALA 82 N 1.71 1.00 -0.10 -0.43 0.00 -1.51 -1.60 119.26 118.34 1fbi h ALA 82 Ca 0.80 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.71 1fbi h ALA 82 Cb 2.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.10 1fbi h ALA 82 CO -0.61 0.00 0.00 1.28 0.00 0.00 0.00 179.25 179.92 1fbi n LEU 83 N -2.92 1.14 -3.60 0.00 4.77 0.20 -4.26 117.00 112.32 1fbi n LEU 83 Ca -0.00 -0.46 -0.29 0.00 -0.03 0.00 0.00 56.01 55.22 1fbi n LEU 83 Cb 0.21 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1fbi n LEU 83 CO 0.23 0.23 0.18 0.00 -1.33 0.00 0.00 177.39 176.70 1fbi n GLN 84 N -0.04 2.62 -4.05 3.23 6.02 -0.60 -2.90 117.38 121.66 1fbi n GLN 84 Ca 0.16 -4.63 -0.10 0.00 -0.01 0.00 0.00 57.00 52.42 1fbi n GLN 84 Cb 0.25 -2.30 -0.06 0.00 1.02 0.00 0.00 30.24 29.15 1fbi n GLN 84 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1fbi s SER 85 N -2.12 0.10 0.00 1.08 0.15 -1.26 -4.92 113.70 106.74 1fbi s SER 85 Ca 0.36 -1.11 0.05 0.00 0.70 0.00 0.00 55.95 55.96 1fbi s SER 85 Cb 0.10 0.55 0.30 0.00 -1.71 0.00 0.00 66.02 65.26 1fbi s SER 85 CO -0.03 -1.10 0.90 -1.20 1.20 0.00 0.00 173.24 173.01 1fbi n SER 86 N -0.50 0.00 -3.90 5.45 7.64 -1.26 -4.64 113.62 116.41 1fbi n SER 86 Ca -0.00 0.01 -0.10 0.00 1.01 0.00 0.00 58.87 59.79 1fbi n SER 86 Cb 0.63 -0.14 -0.09 0.00 -1.01 0.00 0.00 64.21 63.60 1fbi n SER 86 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1fbi s ASP 87 N -2.27 0.12 -0.28 6.43 -4.77 -1.26 -5.08 116.67 109.57 1fbi s ASP 87 Ca 0.07 -0.45 0.11 0.00 -3.30 0.00 0.00 52.55 48.98 1fbi s ASP 87 Cb 0.04 0.24 0.58 0.00 -1.09 0.00 0.00 42.92 42.69 1fbi s ASP 87 CO 0.07 -0.50 1.57 2.30 0.70 0.00 0.00 175.17 179.31 1fbi n ILE 88 N 0.85 2.61 0.16 2.11 -5.35 -1.26 -4.68 119.36 113.80 1fbi n ILE 88 Ca -0.20 -2.14 -0.14 0.00 -0.27 0.00 0.00 62.75 60.01 1fbi n ILE 88 Cb 0.58 -0.32 -0.07 0.00 -1.74 0.00 0.00 39.64 38.09 1fbi n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1fbi h THR 89 N 1.64 0.52 0.00 7.28 2.02 -1.96 0.90 112.91 123.31 1fbi h THR 89 Ca 0.20 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.30 1fbi h THR 89 Cb 1.85 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1fbi h THR 89 CO 0.48 0.00 -0.34 0.00 0.37 0.00 0.00 175.52 176.03 1fbi h ALA 90 N 0.23 1.42 0.09 6.16 0.00 -1.84 -2.31 119.26 123.02 1fbi h ALA 90 Ca -0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.31 1fbi h ALA 90 Cb 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1fbi h ALA 90 CO -0.05 0.43 -1.45 1.15 0.00 0.00 0.00 179.25 179.32 1fbi h THR 91 N 0.00 1.22 0.39 0.00 2.02 -1.69 -2.35 112.91 112.50 1fbi h THR 91 Ca -0.00 -2.89 -0.02 0.00 0.77 0.00 0.00 66.41 64.26 1fbi h THR 91 Cb 0.61 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1fbi h THR 91 CO 0.04 0.81 -0.19 0.00 0.37 0.00 0.00 175.52 176.56 1fbi h ALA 92 N 0.63 -0.52 -0.25 6.16 0.00 0.89 -2.36 119.26 123.81 1fbi h ALA 92 Ca -0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1fbi h ALA 92 Cb 1.97 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.95 1fbi h ALA 92 CO 0.15 -0.58 0.13 -0.91 0.00 0.00 0.00 179.25 178.04 1fbi h ASN 93 N -0.95 0.32 0.32 0.00 2.35 -1.57 -0.86 115.58 115.19 1fbi h ASN 93 Ca -0.05 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1fbi h ASN 93 Cb 0.54 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1fbi h ASN 93 CO 0.09 0.33 0.00 0.00 -1.65 0.00 0.00 177.43 176.19 1fbi h ALA 95 N 2.14 0.65 -0.57 0.00 0.00 -0.61 -3.32 119.26 117.55 1fbi h ALA 95 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 54.91 54.15 1fbi h ALA 95 Cb 0.16 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1fbi h ALA 95 CO 0.00 0.88 0.38 0.87 0.00 0.00 0.00 179.25 181.37 1fbi h LYS 96 N 0.00 0.74 -0.14 0.00 1.57 -0.16 -0.77 116.57 117.80 1fbi h LYS 96 Ca -0.12 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1fbi h LYS 96 Cb 1.55 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.70 1fbi h LYS 96 CO 0.06 0.49 -0.23 0.87 -0.57 0.00 0.00 179.45 180.06 1fbi h LYS 97 N 0.76 0.40 -0.60 3.15 1.57 -1.65 -2.86 116.57 117.35 1fbi h LYS 97 Ca 0.21 -0.25 0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1fbi h LYS 97 Cb -0.08 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 1fbi h LYS 97 CO -0.05 0.84 0.24 0.82 -0.57 0.00 0.00 179.45 180.73 1fbi h ILE 98 N 0.01 0.80 0.00 1.86 2.04 -1.46 0.88 117.51 121.65 1fbi h ILE 98 Ca 0.01 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1fbi h ILE 98 Cb 0.81 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1fbi h ILE 98 CO 0.05 0.08 0.00 1.62 0.00 0.00 0.00 178.15 179.90 1fbi h VAL 99 N 0.43 0.00 -0.50 1.67 3.04 -1.25 -2.85 116.25 116.79 1fbi h VAL 99 Ca 0.30 -0.56 -0.14 0.00 -1.01 0.00 0.00 66.70 65.29 1fbi h VAL 99 Cb 0.34 1.51 -0.08 0.00 -2.01 0.00 0.00 31.29 31.05 1fbi h VAL 99 CO -0.28 0.00 0.18 -1.20 -1.01 0.00 0.00 177.57 175.25 1fbi n SER 100 N -2.89 3.96 -0.63 3.17 7.64 0.28 -4.32 113.62 120.82 1fbi n SER 100 Ca 0.02 -2.81 0.06 0.00 1.01 0.00 0.00 58.87 57.14 1fbi n SER 100 Cb 0.34 -0.67 0.15 0.00 -1.01 0.00 0.00 64.21 63.02 1fbi n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1fbi n ASP 101 N 0.02 2.89 0.00 6.43 2.03 -1.07 -5.00 116.55 121.84 1fbi n ASP 101 Ca 0.27 -1.98 0.00 0.00 0.52 0.00 0.00 54.79 53.60 1fbi n ASP 101 Cb 1.06 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 1fbi n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fbi n GLY 102 N 0.51 0.76 3.64 0.27 0.00 -1.26 -5.04 105.19 104.07 1fbi n GLY 102 Ca 0.11 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1fbi n GLY 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fbi s ASN 103 N -4.00 6.55 0.00 1.61 3.84 -1.26 -4.96 114.94 116.72 1fbi s ASN 103 Ca 0.00 1.64 0.00 0.00 0.21 0.00 0.00 52.86 54.71 1fbi s ASN 103 Cb 0.00 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 1fbi s ASN 103 CO 0.00 -1.11 0.00 0.61 -2.79 0.00 0.00 177.10 173.81 1fbi n GLY 104 N 4.38 0.00 0.32 1.21 0.00 -1.26 -3.96 105.19 105.87 1fbi n GLY 104 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1fbi n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fbi n MET 105 N 0.00 1.23 0.00 1.61 2.81 -1.26 -3.89 117.12 117.62 1fbi n MET 105 Ca 0.00 -0.63 0.03 0.00 -1.81 0.00 0.00 57.70 55.29 1fbi n MET 105 Cb 0.00 -1.49 0.17 0.00 -0.71 0.00 0.00 33.22 31.20 1fbi n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1fbi n ASN 106 N -0.33 0.00 0.23 7.83 4.13 -1.25 0.06 115.26 125.92 1fbi n ASN 106 Ca 0.17 -0.26 0.12 0.00 1.68 0.00 0.00 54.58 56.29 1fbi n ASN 106 Cb 0.32 0.00 0.46 0.00 -1.54 0.00 0.00 39.78 39.02 1fbi n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fbi h ALA 107 N 2.27 0.99 -3.09 5.41 0.00 -1.72 -3.37 119.26 119.75 1fbi h ALA 107 Ca 0.00 -0.13 -0.71 0.00 0.00 0.00 0.00 54.91 54.07 1fbi h ALA 107 Cb 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 17.43 1fbi h ALA 107 CO 0.00 0.18 -0.27 -1.58 0.00 0.00 0.00 179.25 177.58 1fbi s TRP 108 N -3.54 3.51 0.34 0.00 0.51 0.11 -4.98 118.94 114.88 1fbi s TRP 108 Ca 0.02 -2.68 0.12 0.00 -2.12 0.00 0.00 56.10 51.44 1fbi s TRP 108 Cb 0.09 -3.28 1.07 0.00 -0.81 0.00 0.00 33.47 30.54 1fbi s TRP 108 CO 0.62 -0.84 1.59 -0.24 -0.51 0.00 0.00 176.95 177.57 1fbi h VAL 109 N 5.02 0.08 -0.67 4.03 3.04 -1.81 0.67 116.25 126.60 1fbi h VAL 109 Ca 0.03 -0.02 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 1fbi h VAL 109 Cb 0.94 0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 30.19 1fbi h VAL 109 CO 0.73 0.01 0.44 0.00 -1.01 0.00 0.00 177.57 177.75 1fbi h ALA 110 N 1.95 1.51 -0.32 3.17 0.00 -1.94 0.45 119.26 124.09 1fbi h ALA 110 Ca 0.73 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.50 1fbi h ALA 110 Cb 1.75 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1fbi h ALA 110 CO -0.78 0.45 -0.12 2.35 0.00 0.00 0.00 179.25 181.14 1fbi h TRP 111 N 0.91 0.74 -0.62 0.00 7.01 0.02 0.25 115.95 124.26 1fbi h TRP 111 Ca 0.24 -0.17 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1fbi h TRP 111 Cb -0.10 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.76 1fbi h TRP 111 CO 0.00 0.85 0.33 -0.09 -2.79 0.00 0.00 178.44 176.74 1fbi h ARG 112 N 0.42 0.87 -0.04 2.65 2.43 -0.92 0.27 114.38 120.05 1fbi h ARG 112 Ca 0.08 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1fbi h ARG 112 Cb 0.64 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1fbi h ARG 112 CO 0.04 0.67 -0.30 0.87 -1.51 0.00 0.00 179.97 179.75 1fbi h LYS 113 N 0.84 0.27 -0.01 0.20 1.79 -0.79 -3.25 116.57 115.62 1fbi h LYS 113 Ca 0.22 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1fbi h LYS 113 Cb 0.07 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1fbi h LYS 113 CO -0.03 0.91 -0.33 0.72 -1.08 0.00 0.00 179.45 179.63 1fbi n HIS 114 N -4.46 0.00 0.00 -1.35 8.25 0.87 -4.80 115.22 113.72 1fbi n HIS 114 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1fbi n HIS 114 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1fbi n HIS 114 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fbi n LYS 116 N -1.61 1.17 0.00 0.00 3.00 0.68 -1.76 118.16 119.65 1fbi n LYS 116 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 1fbi n LYS 116 Cb 0.31 -2.68 0.00 0.00 0.00 0.00 0.00 35.03 32.66 1fbi n LYS 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fbi n GLY 117 N 6.33 0.30 3.98 3.14 0.00 -1.26 -4.99 105.19 112.68 1fbi n GLY 117 Ca 0.40 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 1fbi n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fbi s THR 118 N -2.00 2.11 -1.22 2.61 -4.23 -0.72 -4.98 115.64 107.20 1fbi s THR 118 Ca 0.00 -0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 59.90 1fbi s THR 118 Cb 0.00 -2.63 0.17 0.00 1.34 0.00 0.00 72.50 71.38 1fbi s THR 118 CO 0.00 0.00 1.48 -0.67 -0.54 0.00 0.00 174.62 174.89 1fbi n ASP 119 N -3.01 5.21 0.06 3.99 2.03 -1.26 -4.82 116.55 118.74 1fbi n ASP 119 Ca 0.15 -2.99 0.20 0.00 0.52 0.00 0.00 54.79 52.67 1fbi n ASP 119 Cb 0.60 -1.57 0.60 0.00 -0.72 0.00 0.00 41.12 40.04 1fbi n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1fbi h VAL 120 N 4.57 0.17 -0.99 5.18 -1.51 -1.92 -2.17 116.25 119.58 1fbi h VAL 120 Ca 0.33 0.00 0.33 0.00 -1.23 0.00 0.00 66.70 66.12 1fbi h VAL 120 Cb 0.85 0.40 -0.15 0.00 -2.13 0.00 0.00 31.29 30.26 1fbi h VAL 120 CO 1.28 0.00 0.54 0.03 -1.23 0.00 0.00 177.57 178.19 1fbi h ARG 121 N 0.00 0.27 -1.00 5.19 3.08 -1.91 0.94 114.38 120.95 1fbi h ARG 121 Ca 0.24 -0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.49 1fbi h ARG 121 Cb 1.66 -0.06 -0.12 0.00 0.08 0.00 0.00 29.97 31.53 1fbi h ARG 121 CO -0.00 0.18 0.60 -0.39 -1.07 0.00 0.00 179.97 179.28 1fbi h VAL 122 N 0.28 0.62 0.00 2.04 -1.51 -1.80 -0.87 116.25 115.00 1fbi h VAL 122 Ca 0.73 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.98 1fbi h VAL 122 Cb 1.69 -0.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1fbi h VAL 122 CO -0.63 0.12 0.00 0.79 -1.23 0.00 0.00 177.57 176.62 1fbi n TRP 123 N -4.83 0.24 -0.04 5.19 7.02 0.32 -1.60 117.44 123.74 1fbi n TRP 123 Ca 0.25 0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.85 1fbi n TRP 123 Cb 0.66 -0.68 0.00 0.00 -2.42 0.00 0.00 31.31 28.86 1fbi n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1fbi n ILE 124 N -1.74 0.00 -1.55 -0.99 -5.35 -0.37 -4.78 119.36 104.59 1fbi n ILE 124 Ca 0.00 -0.45 -0.37 0.00 -0.27 0.00 0.00 62.75 61.67 1fbi n ILE 124 Cb 0.06 1.04 -0.03 0.00 -1.74 0.00 0.00 39.64 38.97 1fbi n ILE 124 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1fbi n LYS 125 N -0.52 1.09 0.00 6.28 3.00 -0.62 -0.44 118.16 126.94 1fbi n LYS 125 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1fbi n LYS 125 Cb 0.01 -3.38 0.00 0.00 0.00 0.00 0.00 35.03 31.66 1fbi n LYS 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fbi n GLY 126 N 6.01 1.75 3.62 3.14 0.00 -1.26 -5.04 105.19 113.40 1fbi n GLY 126 Ca 0.37 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 1fbi n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fbi s ARG 128 N 3.41 3.46 0.00 0.00 6.06 -1.26 -5.06 118.95 125.56 1fbi s ARG 128 Ca 0.39 -0.86 0.30 0.00 -2.50 0.00 0.00 55.73 53.06 1fbi s ARG 128 Cb -0.12 -5.04 1.51 0.00 0.06 0.00 0.00 34.95 31.35 1fbi s ARG 128 CO 0.16 -2.21 2.00 1.28 -2.50 0.00 0.00 175.30 174.03