#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cye s PHE 4 N 0.00 2.78 0.38 1.61 0.40 -1.26 -4.93 117.98 116.96 2cye s PHE 4 Ca 0.00 -1.10 0.09 0.00 -0.60 0.00 0.00 56.93 55.32 2cye s PHE 4 Cb 0.00 -1.90 0.76 0.00 0.51 0.00 0.00 43.02 42.40 2cye s PHE 4 CO 0.00 -0.51 1.90 -1.00 0.70 0.00 0.00 175.22 176.31 2cye h PRO 5 N 7.39 0.23 -5.80 0.24 0.13 -2.00 -3.43 132.00 128.76 2cye h PRO 5 Ca -0.34 -0.06 -0.64 0.00 -0.87 0.00 0.00 66.00 64.09 2cye h PRO 5 Cb 1.18 -0.03 -0.31 0.00 0.13 0.00 0.00 31.00 31.97 2cye h PRO 5 CO 0.57 0.39 -0.87 0.08 -0.23 0.00 0.00 178.00 177.95 2cye s VAL 6 N -4.68 1.81 0.01 1.56 1.01 -1.23 -5.04 120.40 113.83 2cye s VAL 6 Ca -0.05 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 2cye s VAL 6 Cb 0.15 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 2cye s VAL 6 CO 0.73 0.51 -0.00 -0.60 0.00 0.00 0.00 175.10 175.74 2cye s ARG 7 N -0.14 0.17 0.04 2.72 3.52 -1.26 -1.49 118.95 122.52 2cye s ARG 7 Ca -0.02 -0.29 -0.01 0.00 -0.13 0.00 0.00 55.73 55.28 2cye s ARG 7 Cb -0.12 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.30 2cye s ARG 7 CO 0.03 -0.03 -0.02 0.14 -0.81 0.00 0.00 175.30 174.61 2cye s VAL 8 N -0.72 0.19 0.01 7.11 -7.23 -0.11 -4.95 120.40 114.69 2cye s VAL 8 Ca -0.08 -1.59 -0.05 0.00 -1.81 0.00 0.00 61.98 58.45 2cye s VAL 8 Cb -0.05 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 2cye s VAL 8 CO -0.00 -0.88 0.24 -0.60 -0.31 0.00 0.00 175.10 173.54 2cye s ARG 9 N -3.40 3.52 -0.03 4.82 3.52 -1.26 -0.88 118.95 125.24 2cye s ARG 9 Ca 0.02 -0.18 0.03 0.00 -0.13 0.00 0.00 55.73 55.47 2cye s ARG 9 Cb 0.04 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 2cye s ARG 9 CO -0.08 0.65 -0.10 0.08 -0.81 0.00 0.00 175.30 175.04 2cye s VAL 10 N -1.33 0.87 -0.21 7.11 1.01 -0.54 -4.96 120.40 122.35 2cye s VAL 10 Ca 0.28 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 2cye s VAL 10 Cb -0.13 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 2cye s VAL 10 CO 0.17 0.27 0.13 -1.81 0.00 0.00 0.00 175.10 173.86 2cye s ASP 11 N 0.15 6.13 -0.11 3.32 1.01 -1.26 -3.99 116.67 121.93 2cye s ASP 11 Ca -0.03 0.19 -0.30 0.00 0.71 0.00 0.00 52.55 53.12 2cye s ASP 11 Cb -0.09 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 2cye s ASP 11 CO 0.01 0.15 1.13 -0.69 0.21 0.00 0.00 175.17 175.98 2cye s VAL 12 N 0.53 4.47 0.19 -1.27 1.01 -1.26 -5.03 120.40 119.04 2cye s VAL 12 Ca 0.07 1.77 0.01 0.00 0.00 0.00 0.00 61.98 63.84 2cye s VAL 12 Cb -0.12 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2cye s VAL 12 CO -0.00 -0.05 0.36 -0.13 0.00 0.00 0.00 175.10 175.28 2cye s ARG 13 N 2.49 3.48 0.27 2.72 0.52 -1.26 -4.60 118.95 122.56 2cye s ARG 13 Ca 0.52 -0.48 -0.04 0.00 -0.52 0.00 0.00 55.73 55.21 2cye s ARG 13 Cb -0.21 -2.88 0.33 0.00 0.52 0.00 0.00 34.95 32.71 2cye s ARG 13 CO 0.17 0.43 1.91 0.35 0.02 0.00 0.00 175.30 178.18 2cye h PHE 14 N 1.90 1.13 -0.14 -0.53 3.04 -1.99 -1.18 116.94 119.17 2cye h PHE 14 Ca -0.49 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.50 2cye h PHE 14 Cb 1.20 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 2cye h PHE 14 CO 0.53 0.76 0.15 -0.09 -2.02 0.00 0.00 178.31 177.64 2cye h ARG 15 N 1.17 0.00 0.00 1.11 9.65 -2.02 -1.40 114.38 122.89 2cye h ARG 15 Ca 0.30 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.18 2cye h ARG 15 Cb -0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 2cye h ARG 15 CO -0.05 0.00 0.00 -0.25 2.80 0.00 0.00 179.97 182.47 2cye n ASP 16 N -3.89 0.46 -4.83 -3.80 8.00 -0.44 -4.91 116.55 107.13 2cye n ASP 16 Ca 0.01 0.57 -0.35 0.00 0.71 0.00 0.00 54.79 55.73 2cye n ASP 16 Cb 0.26 -0.69 -0.06 0.00 -0.02 0.00 0.00 41.12 40.62 2cye n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cye s LEU 17 N -3.93 4.30 0.61 0.64 1.43 -0.53 -0.62 118.68 120.58 2cye s LEU 17 Ca 0.09 1.27 -0.10 0.00 -1.03 0.00 0.00 54.13 54.36 2cye s LEU 17 Cb 0.12 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 2cye s LEU 17 CO 0.46 0.02 0.99 -1.81 0.23 0.00 0.00 176.35 176.25 2cye s ASP 18 N -1.78 6.06 0.45 2.29 -0.00 0.57 -4.78 116.67 119.49 2cye s ASP 18 Ca 0.43 1.25 0.27 0.00 -0.00 0.00 0.00 52.55 54.49 2cye s ASP 18 Cb -0.15 -2.29 1.31 0.00 -0.00 0.00 0.00 42.92 41.78 2cye s ASP 18 CO 0.20 -0.91 1.76 -0.65 -0.00 0.00 0.00 175.17 175.57 2cye h PRO 19 N -0.28 0.21 0.00 8.23 0.11 -1.98 0.11 132.00 138.40 2cye h PRO 19 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2cye h PRO 19 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2cye h PRO 19 CO 0.62 0.14 0.00 1.28 -0.21 0.00 0.00 178.00 179.83 2cye n LEU 20 N -4.47 0.00 0.00 2.35 4.77 -1.26 -4.89 117.00 113.50 2cye n LEU 20 Ca 0.27 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2cye n LEU 20 Cb 1.08 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 2cye n LEU 20 CO 0.30 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2cye n GLY 21 N 0.57 0.97 3.25 -0.72 0.00 0.37 -5.09 105.19 104.55 2cye n GLY 21 Ca 0.14 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 2cye n GLY 21 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2cye s HIS 22 N -2.00 1.49 0.31 1.61 -3.43 -1.25 -4.43 115.29 107.58 2cye s HIS 22 Ca 0.00 -0.52 -0.30 0.00 -0.80 0.00 0.00 55.06 53.44 2cye s HIS 22 Cb 0.00 -0.78 -0.12 0.00 -1.43 0.00 0.00 32.58 30.26 2cye s HIS 22 CO 0.00 0.17 1.53 0.28 -2.00 0.00 0.00 174.74 174.73 2cye n VAL 23 N 0.59 1.26 -2.08 -5.38 0.31 0.07 -0.31 118.33 112.79 2cye n VAL 23 Ca -0.16 -0.32 -0.38 0.00 -0.01 0.00 0.00 64.34 63.48 2cye n VAL 23 Cb 0.57 -1.88 0.01 0.00 -0.91 0.00 0.00 33.84 31.62 2cye n VAL 23 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2cye s ASN 24 N 0.30 5.95 0.32 4.52 3.84 0.21 -4.74 114.94 125.34 2cye s ASN 24 Ca 0.62 2.51 0.05 0.00 0.21 0.00 0.00 52.86 56.25 2cye s ASN 24 Cb -0.52 -2.62 0.67 0.00 -0.55 0.00 0.00 41.25 38.24 2cye s ASN 24 CO 0.52 -1.08 1.86 -0.55 -2.79 0.00 0.00 177.10 175.07 2cye h ASN 25 N 2.03 0.80 -0.15 -4.21 -1.07 -1.92 -2.28 115.58 108.77 2cye h ASN 25 Ca -0.50 0.04 -0.16 0.00 0.07 0.00 0.00 56.30 55.75 2cye h ASN 25 Cb 1.26 -0.12 -0.01 0.00 -2.07 0.00 0.00 38.32 37.38 2cye h ASN 25 CO 0.60 0.43 -0.49 0.00 0.07 0.00 0.00 177.43 178.04 2cye h ALA 26 N 1.56 0.64 -0.73 4.14 0.00 -1.97 -3.18 119.26 119.72 2cye h ALA 26 Ca 0.46 -0.49 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2cye h ALA 26 Cb 0.54 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2cye h ALA 26 CO -0.22 0.68 0.48 0.28 0.00 0.00 0.00 179.25 180.47 2cye h VAL 27 N 0.57 0.97 -1.00 0.00 2.07 -1.77 -0.87 116.25 116.22 2cye h VAL 27 Ca 0.03 -0.23 0.16 0.00 0.82 0.00 0.00 66.70 67.48 2cye h VAL 27 Cb 1.05 0.23 -0.10 0.00 -1.52 0.00 0.00 31.29 30.95 2cye h VAL 27 CO 0.10 0.12 0.61 -0.26 0.02 0.00 0.00 177.57 178.17 2cye h PHE 28 N 0.68 1.09 0.00 1.57 0.04 -1.52 0.26 116.94 119.05 2cye h PHE 28 Ca 0.33 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 61.07 2cye h PHE 28 Cb 0.39 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2cye h PHE 28 CO -0.00 0.31 -0.28 -0.07 -0.60 0.00 0.00 178.31 177.68 2cye h LEU 29 N 0.84 0.00 -0.40 1.54 4.07 -1.31 -2.01 115.31 118.05 2cye h LEU 29 Ca 0.55 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 58.33 2cye h LEU 29 Cb 0.74 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.46 2cye h LEU 29 CO -0.34 0.28 -0.80 0.28 -1.08 0.00 0.00 178.44 176.77 2cye h SER 30 N 0.00 0.08 0.00 -0.43 0.02 -0.53 0.02 113.55 112.71 2cye h SER 30 Ca -0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2cye h SER 30 Cb 0.54 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2cye h SER 30 CO 0.04 0.85 0.00 -1.22 -1.14 0.00 0.00 176.83 175.35 2cye n TYR 31 N -3.63 0.00 0.00 3.45 4.02 -0.50 -2.29 117.16 118.22 2cye n TYR 31 Ca -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2cye n TYR 31 Cb 0.77 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 40.06 2cye n TYR 31 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2cye n GLU 33 N 0.38 0.00 -0.11 -0.72 2.13 -0.01 -3.34 120.64 118.96 2cye n GLU 33 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 2cye n GLU 33 Cb 0.06 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.79 2cye n GLU 33 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2cye h LEU 34 N 0.00 0.20 -0.46 4.31 5.85 -1.73 0.21 115.31 123.69 2cye h LEU 34 Ca 0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2cye h LEU 34 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2cye h LEU 34 CO 0.00 0.15 0.18 0.00 -0.34 0.00 0.00 178.44 178.43 2cye h ALA 35 N 1.22 0.60 -0.71 1.25 0.00 -1.86 -2.08 119.26 117.68 2cye h ALA 35 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2cye h ALA 35 Cb 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2cye h ALA 35 CO -0.15 0.21 0.45 -0.09 0.00 0.00 0.00 179.25 179.67 2cye h ARG 36 N 0.60 0.95 -0.89 0.00 2.43 -1.72 -1.51 114.38 114.24 2cye h ARG 36 Ca 0.15 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2cye h ARG 36 Cb 0.20 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2cye h ARG 36 CO -0.01 0.65 0.48 0.82 -1.51 0.00 0.00 179.97 180.40 2cye h ILE 37 N 0.97 1.26 0.00 1.20 5.03 -0.35 0.96 117.51 126.58 2cye h ILE 37 Ca 0.26 -0.66 -0.05 0.00 -0.12 0.00 0.00 64.86 64.29 2cye h ILE 37 Cb -0.08 0.07 -0.01 0.00 -3.03 0.00 0.00 36.82 33.77 2cye h ILE 37 CO -0.05 0.30 -0.22 0.03 -0.68 0.00 0.00 178.15 177.52 2cye h ARG 38 N 1.25 0.00 -0.05 2.37 3.08 -0.85 -1.11 114.38 119.07 2cye h ARG 38 Ca 0.31 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.29 2cye h ARG 38 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2cye h ARG 38 CO -0.05 0.22 -0.24 -0.92 -1.07 0.00 0.00 179.97 177.91 2cye h TYR 39 N 0.00 0.35 -0.48 3.04 3.20 -0.18 -3.14 116.97 119.75 2cye h TYR 39 Ca -0.00 -0.15 0.03 0.00 3.14 0.00 0.00 58.73 61.75 2cye h TYR 39 Cb 0.61 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 2cye h TYR 39 CO 0.00 0.86 0.32 0.74 -1.64 0.00 0.00 178.16 178.45 2cye h PHE 40 N -0.27 0.52 0.00 -3.82 0.05 -0.49 -0.28 116.94 112.65 2cye h PHE 40 Ca -0.01 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.79 2cye h PHE 40 Cb 0.89 -0.18 0.00 0.00 2.00 0.00 0.00 35.95 38.66 2cye h PHE 40 CO 0.13 0.31 0.00 1.96 -0.18 0.00 0.00 178.31 180.53 2cye h GLN 41 N 0.55 0.00 -0.01 1.51 4.20 -1.16 0.94 115.11 121.13 2cye h GLN 41 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2cye h GLN 41 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2cye h GLN 41 CO -0.05 0.00 -0.48 0.54 -0.67 0.00 0.00 178.83 178.18 2cye n ARG 42 N -3.02 1.25 0.00 1.46 1.74 -0.13 -4.58 116.66 113.38 2cye n ARG 42 Ca -0.02 -0.93 0.00 0.00 -0.77 0.00 0.00 57.85 56.12 2cye n ARG 42 Cb 0.09 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 2cye n ARG 42 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2cye n ILE 43 N -0.09 0.00 -3.89 0.55 -6.64 -0.73 -4.92 119.36 103.64 2cye n ILE 43 Ca 0.09 -0.06 -0.10 0.00 -1.77 0.00 0.00 62.75 60.91 2cye n ILE 43 Cb 0.44 0.44 -0.09 0.00 -1.44 0.00 0.00 39.64 38.99 2cye n ILE 43 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2cye s SER 44 N -1.05 0.11 0.74 7.28 0.15 0.25 -4.53 113.70 116.66 2cye s SER 44 Ca 0.00 -0.46 -0.09 0.00 0.70 0.00 0.00 55.95 56.11 2cye s SER 44 Cb 0.00 0.25 0.07 0.00 -1.71 0.00 0.00 66.02 64.63 2cye s SER 44 CO 0.00 -0.52 1.08 -2.16 1.20 0.00 0.00 173.24 172.83 2cye s PRO 45 N -2.55 2.08 -0.95 5.44 0.04 -1.26 -4.43 135.00 133.37 2cye s PRO 45 Ca -0.05 -0.15 -0.06 0.00 0.04 0.00 0.00 61.00 60.78 2cye s PRO 45 Cb -0.01 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 2cye s PRO 45 CO -0.04 -1.38 0.82 -0.25 0.04 0.00 0.00 177.00 176.18 2cye n ASP 46 N -3.07 -6.73 0.24 6.66 10.43 -1.26 -4.12 116.55 118.70 2cye n ASP 46 Ca 0.08 -0.57 0.07 0.00 2.57 0.00 0.00 54.79 56.95 2cye n ASP 46 Cb 0.61 -4.79 0.57 0.00 1.84 0.00 0.00 41.12 39.35 2cye n ASP 46 CO 0.00 0.00 0.00 4.11 -1.07 0.00 0.00 177.20 180.24 2cye h TRP 47 N -0.68 0.00 -0.11 1.24 5.08 -1.92 0.15 115.95 119.71 2cye h TRP 47 Ca -0.43 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.53 2cye h TRP 47 Cb 1.22 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.38 2cye h TRP 47 CO 0.27 0.16 -0.01 1.25 -1.28 0.00 0.00 178.44 178.82 2cye h LEU 48 N 0.00 0.14 -3.02 0.11 5.85 -1.99 0.49 115.31 116.90 2cye h LEU 48 Ca -0.00 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 2cye h LEU 48 Cb 0.30 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 2cye h LEU 48 CO 0.02 0.19 0.19 -0.62 -0.34 0.00 0.00 178.44 177.87 2cye n GLU 49 N -4.43 2.94 -2.68 1.25 1.02 -0.54 -4.87 120.64 113.33 2cye n GLU 49 Ca -0.01 -2.13 -0.20 0.00 -0.02 0.00 0.00 57.16 54.80 2cye n GLU 49 Cb 0.15 -1.94 0.01 0.00 -0.02 0.00 0.00 31.44 29.64 2cye n GLU 49 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2cye n GLU 50 N -0.01 -2.98 -1.75 3.49 1.02 0.17 -1.89 120.64 118.69 2cye n GLU 50 Ca 0.28 0.89 -0.21 0.00 -0.02 0.00 0.00 57.16 58.10 2cye n GLU 50 Cb 1.07 -5.62 -0.07 0.00 -0.02 0.00 0.00 31.44 26.80 2cye n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cye n GLY 51 N -1.17 1.53 2.16 0.62 0.00 -0.07 -1.56 105.19 106.71 2cye n GLY 51 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 2cye n GLY 51 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2cye n HIS 52 N -2.67 0.00 -4.16 1.61 8.25 -0.79 -4.78 115.22 112.67 2cye n HIS 52 Ca -0.22 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 56.95 2cye n HIS 52 Cb 0.68 -1.08 -0.08 0.00 1.12 0.00 0.00 29.99 30.63 2cye n HIS 52 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2cye s PHE 53 N -2.11 2.91 0.09 4.41 0.40 -0.60 -1.13 117.98 121.96 2cye s PHE 53 Ca 0.00 -0.08 0.07 0.00 -0.60 0.00 0.00 56.93 56.33 2cye s PHE 53 Cb 0.00 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 2cye s PHE 53 CO 0.00 0.48 -0.19 0.14 0.70 0.00 0.00 175.22 176.35 2cye s VAL 54 N -1.41 1.52 -0.18 -0.44 -7.23 -0.56 -4.74 120.40 107.36 2cye s VAL 54 Ca 0.26 -1.43 -0.28 0.00 -1.81 0.00 0.00 61.98 58.71 2cye s VAL 54 Cb -0.11 -1.39 -0.00 0.00 0.56 0.00 0.00 36.38 35.44 2cye s VAL 54 CO 0.18 -0.09 0.98 -0.69 -0.31 0.00 0.00 175.10 175.17 2cye s VAL 55 N -1.16 4.76 -0.18 1.32 1.01 -1.26 -1.27 120.40 123.61 2cye s VAL 55 Ca 0.04 1.94 0.08 0.00 0.00 0.00 0.00 61.98 64.03 2cye s VAL 55 Cb -0.10 -4.27 -0.22 0.00 0.00 0.00 0.00 36.38 31.79 2cye s VAL 55 CO 0.03 -0.08 0.13 0.00 0.00 0.00 0.00 175.10 175.18 2cye n ALA 56 N 5.71 1.37 -3.05 5.51 0.00 0.30 -4.96 120.51 125.39 2cye n ALA 56 Ca 0.09 -1.04 -0.00 0.00 0.00 0.00 0.00 53.44 52.49 2cye n ALA 56 Cb 0.47 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2cye n ALA 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2cye n ARG 57 N -3.09 0.05 -3.20 0.00 0.63 -1.11 -4.96 116.66 104.98 2cye n ARG 57 Ca -0.34 -0.13 0.04 0.00 -0.92 0.00 0.00 57.85 56.50 2cye n ARG 57 Cb 1.07 0.15 -0.02 0.00 0.45 0.00 0.00 32.46 34.10 2cye n ARG 57 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2cye s GLU 59 N -2.02 0.21 -0.11 -0.14 2.02 0.25 -0.83 118.70 118.08 2cye s GLU 59 Ca 0.01 0.41 0.03 0.00 0.02 0.00 0.00 54.97 55.45 2cye s GLU 59 Cb -0.00 0.24 0.00 0.00 0.10 0.00 0.00 34.13 34.47 2cye s GLU 59 CO 0.01 -0.18 -0.22 0.08 0.02 0.00 0.00 175.26 174.96 2cye s VAL 60 N 2.77 1.99 -0.24 2.63 1.01 -1.26 -0.62 120.40 126.68 2cye s VAL 60 Ca -0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 2cye s VAL 60 Cb -0.09 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2cye s VAL 60 CO -0.13 0.54 0.07 -1.81 0.00 0.00 0.00 175.10 173.77 2cye s ASP 61 N 0.54 5.28 -0.43 3.32 1.01 -0.12 -4.98 116.67 121.29 2cye s ASP 61 Ca -0.14 -0.13 -0.17 0.00 0.71 0.00 0.00 52.55 52.81 2cye s ASP 61 Cb -0.17 -1.94 0.03 0.00 1.01 0.00 0.00 42.92 41.85 2cye s ASP 61 CO 0.05 0.01 0.45 -0.31 0.21 0.00 0.00 175.17 175.58 2cye s TYR 62 N 1.34 3.17 -0.12 4.23 2.02 -1.26 -1.66 117.35 125.07 2cye s TYR 62 Ca 0.05 -0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 2cye s TYR 62 Cb -0.15 -2.97 -0.25 0.00 -0.40 0.00 0.00 41.96 38.20 2cye s TYR 62 CO 0.04 -0.74 0.37 1.28 -1.57 0.00 0.00 175.55 174.93 2cye n LEU 63 N 5.61 2.21 -3.83 -1.29 4.77 0.11 -4.97 117.00 119.62 2cye n LEU 63 Ca -0.08 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 2cye n LEU 63 Cb 0.47 -0.78 -0.12 0.00 -2.33 0.00 0.00 43.42 40.66 2cye n LEU 63 CO 0.47 0.75 -0.18 -0.60 -1.33 0.00 0.00 177.39 176.50 2cye s ARG 64 N -2.56 0.24 0.57 3.23 6.06 -0.39 -4.98 118.95 121.12 2cye s ARG 64 Ca -0.19 0.11 -0.17 0.00 -2.50 0.00 0.00 55.73 52.98 2cye s ARG 64 Cb 0.07 0.11 -0.04 0.00 0.06 0.00 0.00 34.95 35.15 2cye s ARG 64 CO 0.77 -0.04 1.09 -1.25 -2.50 0.00 0.00 175.30 173.37 2cye s PRO 65 N -0.17 3.30 -0.10 5.12 0.04 -1.26 -4.72 135.00 137.20 2cye s PRO 65 Ca -0.03 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 62.40 2cye s PRO 65 Cb -0.02 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2cye s PRO 65 CO 0.00 -0.85 -0.08 0.42 0.04 0.00 0.00 177.00 176.53 2cye s ILE 66 N -2.15 3.60 0.29 0.56 1.09 -1.26 -4.99 121.20 118.34 2cye s ILE 66 Ca 0.68 -0.49 0.10 0.00 -1.10 0.00 0.00 60.65 59.83 2cye s ILE 66 Cb -0.19 -2.51 -0.05 0.00 -1.06 0.00 0.00 42.46 38.65 2cye s ILE 66 CO 0.32 0.55 -0.05 -0.76 -0.10 0.00 0.00 174.94 174.90 2cye s LEU 67 N -0.25 2.96 0.32 2.97 1.43 -1.26 -0.75 118.68 124.09 2cye s LEU 67 Ca 0.03 -0.86 -0.29 0.00 -1.03 0.00 0.00 54.13 51.98 2cye s LEU 67 Cb -0.13 -1.43 -0.12 0.00 0.03 0.00 0.00 46.19 44.54 2cye s LEU 67 CO 0.03 -0.06 1.50 -0.11 0.23 0.00 0.00 176.35 177.94 2cye n LEU 68 N -0.83 4.19 0.00 1.79 7.94 -1.26 -1.63 117.00 127.19 2cye n LEU 68 Ca -0.05 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 56.02 2cye n LEU 68 Cb 0.60 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.99 2cye n LEU 68 CO 0.41 -0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.27 2cye n GLY 69 N 1.49 2.05 3.73 -3.96 0.00 -1.26 -5.03 105.19 102.21 2cye n GLY 69 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2cye n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cye s ASP 70 N -2.29 4.39 -0.39 1.61 1.11 -0.64 -4.95 116.67 115.50 2cye s ASP 70 Ca 0.00 2.36 -0.19 0.00 0.18 0.00 0.00 52.55 54.90 2cye s ASP 70 Cb 0.00 -2.59 0.01 0.00 1.07 0.00 0.00 42.92 41.41 2cye s ASP 70 CO 0.00 -2.13 0.55 -0.70 1.18 0.00 0.00 175.17 174.07 2cye s GLU 71 N -3.82 3.41 -0.12 8.23 2.12 -1.26 -4.69 118.70 122.58 2cye s GLU 71 Ca 0.75 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.75 2cye s GLU 71 Cb -0.29 -3.89 -0.02 0.00 0.26 0.00 0.00 34.13 30.20 2cye s GLU 71 CO 0.43 -0.81 -0.13 0.08 -0.54 0.00 0.00 175.26 174.29 2cye s VAL 72 N 2.51 3.04 0.08 3.70 1.01 -1.26 -0.48 120.40 129.00 2cye s VAL 72 Ca 0.19 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.56 2cye s VAL 72 Cb -0.15 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2cye s VAL 72 CO 0.15 0.53 -0.17 -0.36 0.00 0.00 0.00 175.10 175.25 2cye s PHE 73 N 0.22 1.50 -0.08 5.22 0.40 -0.87 -1.47 117.98 122.90 2cye s PHE 73 Ca -0.08 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 2cye s PHE 73 Cb -0.15 -0.84 0.02 0.00 0.51 0.00 0.00 43.02 42.56 2cye s PHE 73 CO 0.05 0.12 -0.06 0.08 0.70 0.00 0.00 175.22 176.11 2cye s VAL 74 N -1.14 0.81 0.15 -0.44 1.01 -0.06 -1.02 120.40 119.71 2cye s VAL 74 Ca 0.03 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.88 2cye s VAL 74 Cb -0.10 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2cye s VAL 74 CO 0.03 0.31 -0.06 -0.83 0.00 0.00 0.00 175.10 174.56 2cye s GLY 75 N 1.39 1.76 -0.01 4.51 0.00 0.07 -0.94 107.32 114.10 2cye s GLY 75 Ca -0.02 -1.35 -0.05 0.00 0.00 0.00 0.00 44.72 43.30 2cye s GLY 75 CO -0.03 -1.35 0.11 0.54 0.00 0.00 0.00 173.10 172.36 2cye s VAL 76 N -1.55 0.07 -0.06 1.40 0.11 -0.55 -0.98 120.40 118.83 2cye s VAL 76 Ca 0.25 -0.57 -0.26 0.00 -2.93 0.00 0.00 61.98 58.47 2cye s VAL 76 Cb -0.10 -0.35 0.06 0.00 -1.53 0.00 0.00 36.38 34.46 2cye s VAL 76 CO 0.16 -0.32 0.58 0.00 -3.33 0.00 0.00 175.10 172.19 2cye s ARG 77 N -1.08 0.92 -0.12 1.54 1.70 -0.69 -3.56 118.95 117.66 2cye s ARG 77 Ca -0.12 0.22 -0.26 0.00 -0.47 0.00 0.00 55.73 55.10 2cye s ARG 77 Cb -0.07 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.72 2cye s ARG 77 CO 0.01 -0.26 0.84 0.99 -1.08 0.00 0.00 175.30 175.79 2cye s THR 78 N -1.03 4.91 -0.60 4.99 2.01 -1.26 -0.97 115.64 123.68 2cye s THR 78 Ca -0.10 1.68 0.16 0.00 0.31 0.00 0.00 61.69 63.74 2cye s THR 78 Cb -0.02 -4.15 -0.20 0.00 0.01 0.00 0.00 72.50 68.14 2cye s THR 78 CO 0.07 0.09 0.62 1.33 -0.69 0.00 0.00 174.62 176.04 2cye n VAL 79 N 4.42 0.00 -3.55 3.82 0.24 0.81 -4.94 118.33 119.14 2cye n VAL 79 Ca 0.04 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.34 62.04 2cye n VAL 79 Cb 0.50 0.80 -0.05 0.00 -1.47 0.00 0.00 33.84 33.61 2cye n VAL 79 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2cye s GLY 80 N -2.87 -0.40 -0.07 7.63 0.00 -1.09 -4.99 107.32 105.54 2cye s GLY 80 Ca 0.03 1.64 0.04 0.00 0.00 0.00 0.00 44.72 46.42 2cye s GLY 80 CO 0.68 0.90 -0.18 1.08 0.00 0.00 0.00 173.10 175.58 2cye s LEU 81 N -1.35 1.88 0.00 0.66 1.43 -1.26 -1.20 118.68 118.84 2cye s LEU 81 Ca -0.04 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2cye s LEU 81 Cb -0.00 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 45.15 2cye s LEU 81 CO 0.03 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.33 2cye n GLY 82 N 3.49 2.02 0.09 -3.19 0.00 -0.04 -5.00 105.19 102.56 2cye n GLY 82 Ca -0.20 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 2cye n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cye n ARG 83 N 0.00 0.52 0.00 1.61 1.74 -1.26 -4.68 116.66 114.59 2cye n ARG 83 Ca 0.00 0.34 0.03 0.00 -0.77 0.00 0.00 57.85 57.45 2cye n ARG 83 Cb 0.00 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.46 29.88 2cye n ARG 83 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2cye n SER 84 N -4.48 0.61 -4.88 0.55 3.41 -1.26 0.08 113.62 107.64 2cye n SER 84 Ca -0.18 -0.81 -0.21 0.00 -0.26 0.00 0.00 58.87 57.42 2cye n SER 84 Cb 0.50 0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 65.16 2cye n SER 84 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cye s SER 85 N -1.29 5.43 -0.06 4.04 1.04 -1.26 -0.55 113.70 121.05 2cye s SER 85 Ca 0.04 -0.44 -0.05 0.00 0.48 0.00 0.00 55.95 55.98 2cye s SER 85 Cb 0.05 -1.01 0.02 0.00 0.10 0.00 0.00 66.02 65.18 2cye s SER 85 CO 0.20 -0.38 0.16 -0.22 0.98 0.00 0.00 173.24 173.97 2cye s LEU 86 N -4.04 1.17 0.38 2.42 0.20 0.55 -0.86 118.68 118.50 2cye s LEU 86 Ca 0.42 0.32 0.08 0.00 0.69 0.00 0.00 54.13 55.64 2cye s LEU 86 Cb -0.07 0.50 -0.04 0.00 -0.43 0.00 0.00 46.19 46.15 2cye s LEU 86 CO 0.28 -0.09 0.18 -0.13 -0.29 0.00 0.00 176.35 176.30 2cye s ARG 87 N 0.44 2.32 -0.17 1.98 0.52 -0.34 -0.33 118.95 123.37 2cye s ARG 87 Ca -0.03 -1.67 -0.12 0.00 -0.52 0.00 0.00 55.73 53.39 2cye s ARG 87 Cb -0.04 -2.11 0.05 0.00 0.52 0.00 0.00 34.95 33.37 2cye s ARG 87 CO -0.02 -0.02 0.43 -1.21 0.02 0.00 0.00 175.30 174.50 2cye s GLU 89 N -3.90 0.45 -0.05 3.54 2.02 -0.14 -0.13 118.70 120.48 2cye s GLU 89 Ca 0.40 0.74 0.06 0.00 0.02 0.00 0.00 54.97 56.19 2cye s GLU 89 Cb 0.00 0.08 -0.01 0.00 0.10 0.00 0.00 34.13 34.30 2cye s GLU 89 CO 0.23 -0.12 -0.24 -1.01 0.02 0.00 0.00 175.26 174.14 2cye s HIS 90 N 0.98 2.29 -0.08 1.61 3.76 0.21 -1.70 115.29 122.35 2cye s HIS 90 Ca -0.06 -0.66 0.02 0.00 -0.15 0.00 0.00 55.06 54.20 2cye s HIS 90 Cb -0.06 -1.50 0.01 0.00 1.11 0.00 0.00 32.58 32.14 2cye s HIS 90 CO -0.08 -0.20 -0.12 -1.17 -0.85 0.00 0.00 174.74 172.32 2cye s LEU 91 N -0.15 1.60 -0.16 0.89 2.96 -0.15 -0.04 118.68 123.63 2cye s LEU 91 Ca -0.03 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2cye s LEU 91 Cb -0.13 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.65 2cye s LEU 91 CO 0.03 0.01 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.31 2cye s VAL 92 N 0.87 3.47 0.05 1.68 1.01 0.12 -0.75 120.40 126.85 2cye s VAL 92 Ca -0.10 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2cye s VAL 92 Cb -0.15 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2cye s VAL 92 CO 0.01 0.49 -0.22 0.42 0.00 0.00 0.00 175.10 175.80 2cye s THR 93 N 0.58 2.49 -0.14 3.92 -4.23 -0.19 0.36 115.64 118.43 2cye s THR 93 Ca -0.05 -1.32 -0.00 0.00 -1.18 0.00 0.00 61.69 59.14 2cye s THR 93 Cb -0.15 -2.02 0.03 0.00 1.34 0.00 0.00 72.50 71.69 2cye s THR 93 CO 0.03 0.33 -0.10 0.00 -0.54 0.00 0.00 174.62 174.33 2cye s ALA 94 N -0.89 1.58 -1.45 3.99 0.00 0.69 -2.06 121.76 123.61 2cye s ALA 94 Ca 0.13 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 2cye s ALA 94 Cb -0.10 -1.00 0.05 0.00 0.00 0.00 0.00 23.12 22.07 2cye s ALA 94 CO 0.04 -0.45 1.03 0.09 0.00 0.00 0.00 175.76 176.47 2cye n ASN 95 N 4.86 -4.95 0.00 0.00 3.02 0.37 -2.13 115.26 116.43 2cye n ASN 95 Ca -0.14 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 2cye n ASN 95 Cb 0.50 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.37 2cye n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cye n GLY 96 N -1.77 3.14 3.91 7.41 0.00 -1.26 -5.03 105.19 111.59 2cye n GLY 96 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2cye n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cye s GLU 97 N -0.30 3.44 0.01 1.61 -1.05 -0.91 -5.02 118.70 116.49 2cye s GLU 97 Ca 0.00 -0.38 -0.30 0.00 -0.15 0.00 0.00 54.97 54.15 2cye s GLU 97 Cb 0.00 -3.07 -0.08 0.00 -0.44 0.00 0.00 34.13 30.54 2cye s GLU 97 CO 0.00 0.65 1.88 -1.12 0.95 0.00 0.00 175.26 177.61 2cye s SER 98 N -2.20 6.51 -0.20 0.83 0.01 -1.26 -0.22 113.70 117.17 2cye s SER 98 Ca 0.31 2.55 0.11 0.00 1.31 0.00 0.00 55.95 60.23 2cye s SER 98 Cb -0.13 -2.53 -0.20 0.00 0.21 0.00 0.00 66.02 63.37 2cye s SER 98 CO 0.23 -1.02 -0.03 0.00 0.41 0.00 0.00 173.24 172.83 2cye n ALA 99 N 7.42 1.54 -3.48 1.44 0.00 0.16 -4.29 120.51 123.30 2cye n ALA 99 Ca 0.19 -1.11 -0.16 0.00 0.00 0.00 0.00 53.44 52.35 2cye n ALA 99 Cb 0.42 -0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 2cye n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cye s ALA 100 N -2.44 -1.58 -0.07 0.00 0.00 -0.92 0.10 121.76 116.84 2cye s ALA 100 Ca -0.17 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.06 2cye s ALA 100 Cb 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2cye s ALA 100 CO 0.66 -0.34 -0.12 0.15 0.00 0.00 0.00 175.76 176.12 2cye s LYS 101 N -0.93 1.68 -0.07 0.00 1.02 -0.66 -0.71 119.74 120.07 2cye s LYS 101 Ca -0.09 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 55.53 2cye s LYS 101 Cb -0.02 -1.42 0.01 0.00 -0.52 0.00 0.00 37.83 35.88 2cye s LYS 101 CO 0.07 -0.01 -0.17 0.20 -0.92 0.00 0.00 175.35 174.53 2cye s GLY 102 N 0.78 1.00 -0.23 -3.33 0.00 0.95 -0.95 107.32 105.54 2cye s GLY 102 Ca -0.12 -0.66 -0.02 0.00 0.00 0.00 0.00 44.72 43.92 2cye s GLY 102 CO 0.02 -0.14 -0.07 -2.27 0.00 0.00 0.00 173.10 170.64 2cye s LEU 103 N 0.41 2.91 0.19 0.66 1.98 0.21 0.65 118.68 125.70 2cye s LEU 103 Ca -0.13 -0.64 0.10 0.00 -2.89 0.00 0.00 54.13 50.56 2cye s LEU 103 Cb -0.16 -1.67 -0.04 0.00 0.66 0.00 0.00 46.19 44.98 2cye s LEU 103 CO 0.05 -0.07 -0.20 -0.83 -1.89 0.00 0.00 176.35 173.41 2cye s GLY 104 N 1.38 1.57 -0.18 7.98 0.00 -1.26 -0.58 107.32 116.23 2cye s GLY 104 Ca 0.03 -1.61 -0.02 0.00 0.00 0.00 0.00 44.72 43.13 2cye s GLY 104 CO -0.05 -1.66 -0.10 0.14 0.00 0.00 0.00 173.10 171.43 2cye s VAL 105 N -2.05 3.02 -0.06 1.40 1.01 -0.01 -4.27 120.40 119.44 2cye s VAL 105 Ca 0.20 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2cye s VAL 105 Cb -0.06 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2cye s VAL 105 CO 0.09 0.48 -0.12 -0.76 0.00 0.00 0.00 175.10 174.79 2cye s LEU 106 N 1.06 2.87 -0.12 3.92 1.02 0.55 -0.54 118.68 127.45 2cye s LEU 106 Ca -0.00 -0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.02 2cye s LEU 106 Cb -0.15 -1.60 -0.01 0.00 0.02 0.00 0.00 46.19 44.46 2cye s LEU 106 CO -0.02 0.35 -0.18 -0.69 0.02 0.00 0.00 176.35 175.83 2cye s VAL 107 N -0.74 2.61 -0.01 -1.59 1.01 -0.40 -0.33 120.40 120.96 2cye s VAL 107 Ca 0.11 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 2cye s VAL 107 Cb -0.11 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2cye s VAL 107 CO 0.01 0.54 1.09 0.86 0.00 0.00 0.00 175.10 177.60 2cye s TRP 108 N 0.38 3.48 0.07 5.22 -0.11 0.29 -1.50 118.94 126.78 2cye s TRP 108 Ca -0.14 1.47 0.08 0.00 1.22 0.00 0.00 56.10 58.74 2cye s TRP 108 Cb -0.17 -3.28 -0.04 0.00 -1.50 0.00 0.00 33.47 28.49 2cye s TRP 108 CO 0.07 -0.67 -0.20 -0.51 -4.62 0.00 0.00 176.95 171.02 2cye s LEU 109 N 1.41 2.56 -0.06 5.86 1.43 -0.28 -1.31 118.68 128.29 2cye s LEU 109 Ca 0.54 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2cye s LEU 109 Cb -0.24 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.53 2cye s LEU 109 CO 0.26 0.22 -0.00 -1.61 0.23 0.00 0.00 176.35 175.45 2cye s GLU 110 N -1.70 0.59 -1.59 1.70 2.02 -0.18 -4.74 118.70 114.80 2cye s GLU 110 Ca 0.15 0.08 -0.03 0.00 0.02 0.00 0.00 54.97 55.19 2cye s GLU 110 Cb -0.10 -0.88 0.01 0.00 0.10 0.00 0.00 34.13 33.25 2cye s GLU 110 CO 0.07 -0.25 0.39 0.41 0.02 0.00 0.00 175.26 175.89 2cye n GLY 111 N 4.86 -0.51 2.62 -1.39 0.00 -1.26 -2.05 105.19 107.46 2cye n GLY 111 Ca -0.12 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2cye n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cye n GLY 112 N -1.31 0.58 3.29 -0.02 0.00 -1.26 -5.02 105.19 101.45 2cye n GLY 112 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 2cye n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cye s ARG 113 N -0.30 1.16 0.32 1.61 0.52 -0.87 -5.04 118.95 116.36 2cye s ARG 113 Ca 0.00 -1.25 -0.29 0.00 -0.52 0.00 0.00 55.73 53.67 2cye s ARG 113 Cb 0.00 -1.30 -0.12 0.00 0.52 0.00 0.00 34.95 34.05 2cye s ARG 113 CO 0.00 0.28 1.43 -2.30 0.02 0.00 0.00 175.30 174.73 2cye n PRO 114 N 0.74 2.38 -3.99 3.54 -0.02 -1.26 -1.01 135.00 135.38 2cye n PRO 114 Ca -0.17 0.84 -0.08 0.00 -2.02 0.00 0.00 63.50 62.07 2cye n PRO 114 Cb 0.55 -2.52 -0.09 0.00 -0.02 0.00 0.00 33.50 31.42 2cye n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cye s ALA 115 N -0.68 0.19 0.02 3.55 0.00 -0.43 -4.78 121.76 119.63 2cye s ALA 115 Ca 0.59 -0.93 -0.36 0.00 0.00 0.00 0.00 51.96 51.26 2cye s ALA 115 Cb -0.54 0.34 -0.15 0.00 0.00 0.00 0.00 23.12 22.77 2cye s ALA 115 CO 0.57 -0.41 1.52 -2.30 0.00 0.00 0.00 175.76 175.14 2cye n PRO 116 N 0.13 1.49 -1.66 0.00 -0.02 -1.26 -4.35 135.00 129.33 2cye n PRO 116 Ca -0.15 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 2cye n PRO 116 Cb 0.61 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 2cye n PRO 116 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2cye s LEU 117 N 1.48 4.09 0.34 2.45 2.96 0.11 -4.88 118.68 125.23 2cye s LEU 117 Ca 0.86 2.38 -0.27 0.00 -0.22 0.00 0.00 54.13 56.89 2cye s LEU 117 Cb -0.88 -3.52 -0.13 0.00 0.50 0.00 0.00 46.19 42.15 2cye s LEU 117 CO 0.48 -1.37 0.97 -2.65 -1.32 0.00 0.00 176.35 172.47 2cye n PRO 118 N 7.96 1.30 -0.24 0.98 -0.02 -1.26 -4.85 135.00 138.87 2cye n PRO 118 Ca 0.23 0.46 0.05 0.00 -2.02 0.00 0.00 63.50 62.22 2cye n PRO 118 Cb 0.42 -1.88 0.16 0.00 -0.02 0.00 0.00 33.50 32.19 2cye n PRO 118 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2cye h GLU 119 N 1.78 0.22 -0.82 -0.52 4.57 -2.01 -1.78 114.58 116.02 2cye h GLU 119 Ca -0.41 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.72 2cye h GLU 119 Cb 1.34 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.85 2cye h GLU 119 CO 0.59 0.15 0.36 0.00 -1.18 0.00 0.00 179.01 178.93 2cye h ALA 120 N 1.60 1.09 -0.33 2.92 0.00 -1.98 -2.59 119.26 119.97 2cye h ALA 120 Ca 0.40 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 2cye h ALA 120 Cb 0.67 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2cye h ALA 120 CO -0.52 0.67 -0.35 0.82 0.00 0.00 0.00 179.25 179.87 2cye h ILE 121 N 1.18 1.28 -0.77 0.00 5.03 -1.57 -2.53 117.51 120.13 2cye h ILE 121 Ca 0.28 -1.50 -0.02 0.00 -0.12 0.00 0.00 64.86 63.50 2cye h ILE 121 Cb 0.17 1.40 -0.04 0.00 -3.03 0.00 0.00 36.82 35.33 2cye h ILE 121 CO -0.03 0.49 0.40 0.03 -0.68 0.00 0.00 178.15 178.36 2cye h ARG 122 N 0.61 1.09 -0.57 2.37 3.08 -1.28 -1.34 114.38 118.35 2cye h ARG 122 Ca 0.06 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2cye h ARG 122 Cb 0.88 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 2cye h ARG 122 CO 0.08 0.83 0.25 0.93 -1.07 0.00 0.00 179.97 180.99 2cye h GLU 123 N 1.08 0.84 -0.44 0.04 4.39 -1.31 -1.92 114.58 117.25 2cye h GLU 123 Ca 0.27 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.69 2cye h GLU 123 Cb 0.07 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2cye h GLU 123 CO -0.04 0.70 -0.27 0.00 -1.16 0.00 0.00 179.01 178.24 2cye h ARG 124 N 0.78 0.95 0.07 2.33 3.08 -1.23 -3.04 114.38 117.32 2cye h ARG 124 Ca 0.19 -0.43 0.02 0.00 0.07 0.00 0.00 59.98 59.83 2cye h ARG 124 Cb 0.16 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2cye h ARG 124 CO -0.02 1.10 -0.21 0.82 -1.07 0.00 0.00 179.97 180.59 2cye h ILE 125 N 0.81 0.53 -4.01 2.04 1.08 -1.07 -3.37 117.51 113.52 2cye h ILE 125 Ca 0.09 0.00 -0.49 0.00 -0.39 0.00 0.00 64.86 64.07 2cye h ILE 125 Cb 0.85 0.53 0.04 0.00 -3.07 0.00 0.00 36.82 35.17 2cye h ILE 125 CO 0.08 0.00 0.43 0.00 -0.69 0.00 0.00 178.15 177.97 2cye s ARG 126 N -6.10 3.85 0.00 2.37 1.70 -0.74 -5.04 118.95 114.99 2cye s ARG 126 Ca -0.15 1.58 0.00 0.00 -0.47 0.00 0.00 55.73 56.69 2cye s ARG 126 Cb 0.08 -2.33 0.00 0.00 -0.57 0.00 0.00 34.95 32.13 2cye s ARG 126 CO 0.66 -0.43 0.00 0.00 -1.08 0.00 0.00 175.30 174.45