#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cye n GLY 3 N 0.00 1.18 3.08 8.31 0.00 -1.26 -5.03 105.19 111.46 2cye n GLY 3 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2cye n GLY 3 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cye s PHE 4 N -2.51 1.96 -0.05 1.61 0.08 -1.26 -4.94 117.98 112.87 2cye s PHE 4 Ca 0.00 -0.86 0.31 0.00 0.12 0.00 0.00 56.93 56.50 2cye s PHE 4 Cb 0.00 -1.39 1.20 0.00 -0.57 0.00 0.00 43.02 42.26 2cye s PHE 4 CO 0.00 -0.42 1.91 -1.00 -0.10 0.00 0.00 175.22 175.61 2cye h PRO 5 N 7.19 0.00 -4.06 0.24 0.13 -1.88 -3.44 132.00 130.19 2cye h PRO 5 Ca -0.29 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.49 2cye h PRO 5 Cb 1.19 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 2cye h PRO 5 CO 0.48 0.00 -0.76 0.08 -0.23 0.00 0.00 178.00 177.58 2cye s VAL 6 N -3.56 0.37 -0.01 1.56 1.01 -1.25 -5.06 120.40 113.45 2cye s VAL 6 Ca 0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 2cye s VAL 6 Cb 0.09 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.11 2cye s VAL 6 CO 0.54 0.15 0.21 0.00 0.00 0.00 0.00 175.10 175.99 2cye s ARG 7 N 0.45 0.53 0.09 2.72 1.70 -1.26 -1.32 118.95 121.85 2cye s ARG 7 Ca -0.05 -0.25 0.02 0.00 -0.47 0.00 0.00 55.73 54.98 2cye s ARG 7 Cb -0.08 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 2cye s ARG 7 CO -0.00 -0.13 -0.07 0.14 -1.08 0.00 0.00 175.30 174.15 2cye s VAL 8 N -1.21 0.71 -0.02 4.99 -7.23 0.16 -4.94 120.40 112.87 2cye s VAL 8 Ca -0.13 -1.70 -0.03 0.00 -1.81 0.00 0.00 61.98 58.31 2cye s VAL 8 Cb -0.06 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 2cye s VAL 8 CO 0.02 -0.71 0.16 0.00 -0.31 0.00 0.00 175.10 174.26 2cye s ARG 9 N -3.17 3.38 -0.01 4.82 1.70 -1.26 -0.69 118.95 123.73 2cye s ARG 9 Ca 0.06 -0.32 0.06 0.00 -0.47 0.00 0.00 55.73 55.06 2cye s ARG 9 Cb 0.01 -3.07 -0.01 0.00 -0.57 0.00 0.00 34.95 31.30 2cye s ARG 9 CO -0.03 0.69 -0.18 0.08 -1.08 0.00 0.00 175.30 174.78 2cye s VAL 10 N -1.26 1.41 -0.22 4.99 1.01 -0.23 -4.97 120.40 121.12 2cye s VAL 10 Ca 0.25 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 2cye s VAL 10 Cb -0.12 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2cye s VAL 10 CO 0.16 0.36 0.05 -1.81 0.00 0.00 0.00 175.10 173.86 2cye s ASP 11 N -0.51 5.17 -0.01 3.32 1.01 -1.26 -3.74 116.67 120.64 2cye s ASP 11 Ca 0.07 -0.15 -0.30 0.00 0.71 0.00 0.00 52.55 52.88 2cye s ASP 11 Cb -0.07 -1.91 -0.05 0.00 1.01 0.00 0.00 42.92 41.90 2cye s ASP 11 CO -0.00 0.03 1.35 -0.69 0.21 0.00 0.00 175.17 176.07 2cye s VAL 12 N 1.22 3.84 0.20 -1.27 1.01 -1.26 -5.01 120.40 119.12 2cye s VAL 12 Ca 0.04 1.21 -0.02 0.00 0.00 0.00 0.00 61.98 63.21 2cye s VAL 12 Cb -0.14 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2cye s VAL 12 CO 0.03 0.00 0.40 -0.13 0.00 0.00 0.00 175.10 175.40 2cye s ARG 13 N 2.31 3.56 0.30 2.72 0.52 -1.26 -4.63 118.95 122.47 2cye s ARG 13 Ca 0.62 -0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 55.59 2cye s ARG 13 Cb -0.30 -2.82 0.47 0.00 0.52 0.00 0.00 34.95 32.82 2cye s ARG 13 CO 0.25 0.40 1.90 0.35 0.02 0.00 0.00 175.30 178.22 2cye h PHE 14 N 2.19 0.87 0.00 -0.53 3.04 -1.99 -0.98 116.94 119.54 2cye h PHE 14 Ca -0.47 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.44 2cye h PHE 14 Cb 1.18 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.42 2cye h PHE 14 CO 0.57 0.65 0.00 -0.09 -2.02 0.00 0.00 178.31 177.42 2cye h ARG 15 N 0.87 0.00 0.00 1.11 9.65 -2.01 -2.28 114.38 121.72 2cye h ARG 15 Ca 0.21 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 2cye h ARG 15 Cb 0.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2cye h ARG 15 CO -0.03 0.00 -0.02 -0.25 2.80 0.00 0.00 179.97 182.48 2cye n ASP 16 N -3.01 0.62 -4.82 -3.80 8.00 -0.37 -4.94 116.55 108.24 2cye n ASP 16 Ca -0.02 0.54 -0.36 0.00 0.71 0.00 0.00 54.79 55.66 2cye n ASP 16 Cb 0.11 -0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 40.45 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 -4.16 4.32 0.69 0.64 1.43 -0.86 -0.76 118.68 119.98 2cye s LEU 17 Ca 0.11 1.43 -0.11 0.00 -1.03 0.00 0.00 54.13 54.53 2cye s LEU 17 Cb 0.14 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.74 2cye s LEU 17 CO 0.58 0.01 1.08 -1.81 0.23 0.00 0.00 176.35 176.45 2cye s ASP 18 N -1.69 5.49 0.55 2.29 1.01 0.13 -4.78 116.67 119.68 2cye s ASP 18 Ca 0.44 1.12 0.31 0.00 0.71 0.00 0.00 52.55 55.13 2cye s ASP 18 Cb -0.16 -1.94 1.47 0.00 1.01 0.00 0.00 42.92 43.30 2cye s ASP 18 CO 0.21 -1.30 1.88 -0.65 0.21 0.00 0.00 175.17 175.52 2cye h PRO 19 N -0.61 0.00 0.00 8.23 0.11 -1.99 -0.05 132.00 137.70 2cye h PRO 19 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2cye h PRO 19 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2cye h PRO 19 CO 0.64 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.71 2cye n LEU 20 N -4.11 0.00 0.00 2.35 4.77 -1.26 -4.90 117.00 113.85 2cye n LEU 20 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2cye n LEU 20 Cb 0.90 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 2cye n LEU 20 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2cye n GLY 21 N 0.86 0.68 3.41 -0.72 0.00 -0.03 -5.08 105.19 104.31 2cye n GLY 21 Ca 0.22 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 2.01 0.23 1.61 -3.43 -1.25 -4.32 115.29 108.13 2cye s HIS 22 Ca 0.00 -0.46 -0.30 0.00 -0.80 0.00 0.00 55.06 53.50 2cye s HIS 22 Cb 0.00 -0.91 -0.10 0.00 -1.43 0.00 0.00 32.58 30.14 2cye s HIS 22 CO 0.00 0.53 1.45 0.08 -2.00 0.00 0.00 174.74 174.80 2cye s VAL 23 N -2.75 2.69 0.41 -5.38 1.01 0.12 0.19 120.40 116.69 2cye s VAL 23 Ca 0.26 0.57 -0.26 0.00 0.00 0.00 0.00 61.98 62.55 2cye s VAL 23 Cb -0.03 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 2cye s VAL 23 CO 0.11 0.08 1.39 0.21 0.00 0.00 0.00 175.10 176.89 2cye s ASN 24 N 0.49 6.20 0.32 3.32 3.84 0.06 -4.75 114.94 124.41 2cye s ASN 24 Ca 0.61 2.85 0.07 0.00 0.21 0.00 0.00 52.86 56.59 2cye s ASN 24 Cb -0.42 -2.65 0.75 0.00 -0.55 0.00 0.00 41.25 38.38 2cye s ASN 24 CO 0.41 -0.95 1.81 -0.55 -2.79 0.00 0.00 177.10 175.04 2cye h ASN 25 N 2.69 0.76 0.12 -4.21 -1.07 -1.93 -1.52 115.58 110.41 2cye h ASN 25 Ca -0.50 0.07 -0.16 0.00 0.07 0.00 0.00 56.30 55.78 2cye h ASN 25 Cb 1.25 -0.07 -0.01 0.00 -2.07 0.00 0.00 38.32 37.42 2cye h ASN 25 CO 0.63 0.32 -0.57 0.00 0.07 0.00 0.00 177.43 177.87 2cye h ALA 26 N 1.61 0.73 0.00 4.14 0.00 -1.97 -3.12 119.26 120.65 2cye h ALA 26 Ca 0.53 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2cye h ALA 26 Cb 0.82 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2cye h ALA 26 CO -0.31 0.70 -0.13 0.28 0.00 0.00 0.00 179.25 179.79 2cye h VAL 27 N 0.36 0.99 -0.75 0.00 2.07 -1.63 -1.28 116.25 116.00 2cye h VAL 27 Ca 0.00 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.13 2cye h VAL 27 Cb 1.10 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 2cye h VAL 27 CO 0.10 0.13 0.49 -0.26 0.02 0.00 0.00 177.57 178.06 2cye h PHE 28 N 0.00 0.78 0.00 1.57 0.04 -1.46 0.03 116.94 117.91 2cye h PHE 28 Ca -0.00 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 2cye h PHE 28 Cb 0.25 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 2cye h PHE 28 CO 0.00 0.40 -0.40 -0.07 -0.60 0.00 0.00 178.31 177.64 2cye h LEU 29 N 0.77 0.00 -0.55 1.54 4.07 -1.37 -2.68 115.31 117.09 2cye h LEU 29 Ca 0.33 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.13 2cye h LEU 29 Cb 0.30 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 2cye h LEU 29 CO -0.12 0.40 -0.71 0.28 -1.08 0.00 0.00 178.44 177.21 2cye h SER 30 N 0.00 0.11 0.00 -0.43 0.02 -1.02 0.38 113.55 112.62 2cye h SER 30 Ca -0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2cye h SER 30 Cb 0.81 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2cye h SER 30 CO 0.05 0.79 0.00 -1.22 -1.14 0.00 0.00 176.83 175.31 2cye n TYR 31 N -3.73 0.00 0.00 3.45 4.02 -0.76 -2.07 117.16 118.07 2cye n TYR 31 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2cye n TYR 31 Cb 0.69 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 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 0.27 0.00 -0.27 -0.72 2.13 0.12 -3.42 120.64 118.75 2cye n GLU 33 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 2cye n GLU 33 Cb 0.06 0.00 0.06 0.00 0.27 0.00 0.00 31.44 31.83 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 0.89 -0.43 4.31 5.85 -1.69 0.47 115.31 124.71 2cye h LEU 34 Ca 0.00 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 2cye h LEU 34 Cb 0.00 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2cye h LEU 34 CO 0.00 0.68 -0.02 0.00 -0.34 0.00 0.00 178.44 178.76 2cye h ALA 35 N 1.24 0.58 -0.85 1.25 0.00 -1.86 -1.57 119.26 118.05 2cye h ALA 35 Ca 0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2cye h ALA 35 Cb -0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2cye h ALA 35 CO -0.05 0.38 0.51 -0.09 0.00 0.00 0.00 179.25 180.01 2cye h ARG 36 N 0.60 1.15 -0.31 0.00 2.43 -1.76 -0.36 114.38 116.13 2cye h ARG 36 Ca 0.12 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2cye h ARG 36 Cb 0.51 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2cye h ARG 36 CO 0.03 0.80 -0.10 0.82 -1.51 0.00 0.00 179.97 180.01 2cye h ILE 37 N 1.16 1.28 -0.79 1.20 1.08 -0.79 -0.17 117.51 120.49 2cye h ILE 37 Ca 0.30 -1.16 0.06 0.00 -0.39 0.00 0.00 64.86 63.67 2cye h ILE 37 Cb -0.05 1.40 -0.05 0.00 -3.07 0.00 0.00 36.82 35.05 2cye h ILE 37 CO -0.06 0.37 0.52 -0.09 -0.69 0.00 0.00 178.15 178.20 2cye h ARG 38 N 0.38 0.86 -0.03 2.37 9.65 -0.91 0.11 114.38 126.80 2cye h ARG 38 Ca 0.07 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2cye h ARG 38 Cb 0.60 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.98 2cye h ARG 38 CO 0.04 0.57 0.00 -0.92 2.80 0.00 0.00 179.97 182.46 2cye h TYR 39 N 0.89 0.06 -0.24 2.20 3.20 -0.76 -2.79 116.97 119.53 2cye h TYR 39 Ca 0.33 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.20 2cye h TYR 39 Cb 0.18 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2cye h TYR 39 CO -0.00 0.33 0.16 0.74 -1.64 0.00 0.00 178.16 177.75 2cye h PHE 40 N -0.22 0.29 0.00 -3.82 0.05 -0.12 -0.05 116.94 113.08 2cye h PHE 40 Ca 0.01 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.79 2cye h PHE 40 Cb 0.30 -0.10 -0.00 0.00 2.00 0.00 0.00 35.95 38.15 2cye h PHE 40 CO 0.02 0.18 -0.07 1.96 -0.18 0.00 0.00 178.31 180.23 2cye h GLN 41 N 0.32 0.00 0.00 1.51 4.20 -0.55 0.37 115.11 120.97 2cye h GLN 41 Ca 0.09 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 2cye h GLN 41 Cb -0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2cye h GLN 41 CO -0.02 0.07 -0.44 0.00 -0.67 0.00 0.00 178.83 177.78 2cye h ARG 42 N 0.00 0.00 0.00 1.46 2.47 -0.86 -3.33 114.38 114.11 2cye h ARG 42 Ca -0.00 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.51 2cye h ARG 42 Cb 0.17 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.45 2cye h ARG 42 CO 0.01 0.44 -2.11 -0.89 0.56 0.00 0.00 179.97 177.98 2cye n ILE 43 N -3.34 0.77 -3.73 2.04 2.08 -0.38 -5.05 119.36 111.76 2cye n ILE 43 Ca 0.01 -0.65 -0.13 0.00 0.56 0.00 0.00 62.75 62.55 2cye n ILE 43 Cb 0.63 -0.30 -0.08 0.00 -0.75 0.00 0.00 39.64 39.14 2cye n ILE 43 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2cye s SER 44 N -4.85 -0.21 0.25 4.38 0.15 0.12 -4.97 113.70 108.57 2cye s SER 44 Ca -0.08 0.02 0.12 0.00 0.70 0.00 0.00 55.95 56.70 2cye s SER 44 Cb 0.08 0.36 0.19 0.00 -1.71 0.00 0.00 66.02 64.93 2cye s SER 44 CO 0.77 -0.54 1.50 1.55 1.20 0.00 0.00 173.24 177.71 2cye h PRO 45 N 3.48 0.00 -2.03 5.44 0.13 -1.84 -3.35 132.00 133.82 2cye h PRO 45 Ca -0.30 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.65 2cye h PRO 45 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 2cye h PRO 45 CO 0.42 0.66 -0.35 -0.25 -0.23 0.00 0.00 178.00 178.25 2cye n ASP 46 N -3.48 5.06 0.19 1.44 8.00 -1.26 -4.50 116.55 122.00 2cye n ASP 46 Ca 0.00 -2.44 0.04 0.00 0.71 0.00 0.00 54.79 53.09 2cye n ASP 46 Cb 0.72 -1.37 0.36 0.00 -0.02 0.00 0.00 41.12 40.81 2cye n ASP 46 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2cye h TRP 47 N 3.06 0.00 -0.06 1.24 5.08 -1.90 -0.01 115.95 123.36 2cye h TRP 47 Ca 0.18 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.09 2cye h TRP 47 Cb 1.46 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.61 2cye h TRP 47 CO 1.73 0.39 -0.24 -0.07 -1.28 0.00 0.00 178.44 178.98 2cye h LEU 48 N 0.00 0.09 -1.65 0.11 3.38 -1.95 0.67 115.31 115.96 2cye h LEU 48 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2cye h LEU 48 Cb 0.78 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2cye h LEU 48 CO 0.05 0.34 0.00 -0.62 0.09 0.00 0.00 178.44 178.30 2cye n GLU 49 N -4.22 2.22 -3.50 1.13 1.02 -0.96 -4.88 120.64 111.46 2cye n GLU 49 Ca -0.02 -1.21 -0.25 0.00 -0.02 0.00 0.00 57.16 55.67 2cye n GLU 49 Cb 0.32 -1.57 0.06 0.00 -0.02 0.00 0.00 31.44 30.23 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 0.32 -6.61 -1.16 3.49 1.02 0.23 -1.49 120.64 116.43 2cye n GLU 50 Ca 0.11 0.80 -0.05 0.00 -0.02 0.00 0.00 57.16 57.99 2cye n GLU 50 Cb 0.47 -5.77 -0.02 0.00 -0.02 0.00 0.00 31.44 26.10 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 -1.80 0.62 2.18 0.62 0.00 -0.06 -1.34 105.19 105.41 2cye n GLY 51 Ca -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.33 0.00 -3.97 1.61 8.25 -0.56 -4.96 115.22 113.26 2cye n HIS 52 Ca -0.05 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.12 2cye n HIS 52 Cb 0.43 -0.75 -0.04 0.00 1.12 0.00 0.00 29.99 30.75 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 -1.95 3.40 0.11 4.41 0.40 -0.45 -1.49 117.98 122.42 2cye s PHE 53 Ca 0.00 0.15 0.09 0.00 -0.60 0.00 0.00 56.93 56.56 2cye s PHE 53 Cb 0.00 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 2cye s PHE 53 CO 0.00 0.55 -0.21 0.14 0.70 0.00 0.00 175.22 176.40 2cye s VAL 54 N -1.57 1.79 -0.21 -0.44 -7.23 -0.45 -4.74 120.40 107.55 2cye s VAL 54 Ca 0.33 -1.62 -0.28 0.00 -1.81 0.00 0.00 61.98 58.60 2cye s VAL 54 Cb -0.12 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.17 2cye s VAL 54 CO 0.26 -0.08 0.97 -0.69 -0.31 0.00 0.00 175.10 175.26 2cye s VAL 55 N -1.27 4.74 -0.13 1.32 1.01 -1.26 -1.28 120.40 123.53 2cye s VAL 55 Ca 0.09 1.90 0.14 0.00 0.00 0.00 0.00 61.98 64.11 2cye s VAL 55 Cb -0.09 -4.26 -0.24 0.00 0.00 0.00 0.00 36.38 31.79 2cye s VAL 55 CO 0.05 -0.12 0.33 0.00 0.00 0.00 0.00 175.10 175.36 2cye n ALA 56 N 5.99 1.48 -3.27 5.51 0.00 0.38 -4.97 120.51 125.63 2cye n ALA 56 Ca 0.10 -1.06 -0.00 0.00 0.00 0.00 0.00 53.44 52.47 2cye n ALA 56 Cb 0.47 -0.49 0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.92 0.39 -3.15 0.00 0.63 -1.13 -4.97 116.66 105.52 2cye n ARG 57 Ca -0.26 -0.77 0.05 0.00 -0.92 0.00 0.00 57.85 55.95 2cye n ARG 57 Cb 1.10 0.96 -0.01 0.00 0.45 0.00 0.00 32.46 34.96 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 -2.03 0.22 -0.16 -0.14 2.02 0.35 -0.50 118.70 118.47 2cye s GLU 59 Ca 0.05 0.34 -0.00 0.00 0.02 0.00 0.00 54.97 55.38 2cye s GLU 59 Cb -0.02 0.18 -0.01 0.00 0.10 0.00 0.00 34.13 34.39 2cye s GLU 59 CO 0.04 -0.28 -0.13 0.08 0.02 0.00 0.00 175.26 174.98 2cye s VAL 60 N 2.94 2.83 -0.24 2.63 1.01 -1.26 -0.62 120.40 127.69 2cye s VAL 60 Ca 0.08 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 2cye s VAL 60 Cb -0.09 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2cye s VAL 60 CO -0.15 0.51 0.11 -1.81 0.00 0.00 0.00 175.10 173.76 2cye s ASP 61 N 0.80 5.62 -0.50 3.32 1.01 0.14 -4.98 116.67 122.08 2cye s ASP 61 Ca -0.05 -0.04 -0.17 0.00 0.71 0.00 0.00 52.55 53.00 2cye s ASP 61 Cb -0.15 -2.01 0.08 0.00 1.01 0.00 0.00 42.92 41.85 2cye s ASP 61 CO 0.00 0.03 0.50 -0.31 0.21 0.00 0.00 175.17 175.60 2cye s TYR 62 N 1.28 3.17 -0.06 4.23 1.51 -1.26 -1.76 117.35 124.45 2cye s TYR 62 Ca 0.06 -0.86 -0.13 0.00 -1.01 0.00 0.00 57.07 55.12 2cye s TYR 62 Cb -0.14 -3.42 -0.30 0.00 -0.11 0.00 0.00 41.96 37.99 2cye s TYR 62 CO 0.05 -0.93 0.65 -0.07 -1.11 0.00 0.00 175.55 174.14 2cye h LEU 63 N 9.14 0.55 -7.74 -1.29 3.38 -1.16 -3.48 115.31 114.72 2cye h LEU 63 Ca -0.28 -0.91 -0.18 0.00 0.09 0.00 0.00 57.88 56.59 2cye h LEU 63 Cb 1.10 -0.18 -0.24 0.00 0.09 0.00 0.00 40.66 41.43 2cye h LEU 63 CO 0.94 1.72 -0.60 -0.13 0.09 0.00 0.00 178.44 180.46 2cye s ARG 64 N -2.54 0.24 0.59 1.13 3.00 -0.57 -5.00 118.95 115.79 2cye s ARG 64 Ca -0.17 -0.15 -0.18 0.00 0.00 0.00 0.00 55.73 55.23 2cye s ARG 64 Cb 0.05 0.10 -0.04 0.00 0.00 0.00 0.00 34.95 35.06 2cye s ARG 64 CO 0.83 -0.04 1.13 -1.25 0.00 0.00 0.00 175.30 175.96 2cye s PRO 65 N -0.60 3.12 -0.14 3.54 0.04 -1.26 -4.73 135.00 134.97 2cye s PRO 65 Ca -0.07 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 2cye s PRO 65 Cb -0.04 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2cye s PRO 65 CO 0.00 -1.02 -0.08 0.42 0.04 0.00 0.00 177.00 176.36 2cye s ILE 66 N -1.97 3.49 0.25 0.56 1.01 -1.26 -5.00 121.20 118.28 2cye s ILE 66 Ca 0.71 -0.51 0.09 0.00 0.00 0.00 0.00 60.65 60.94 2cye s ILE 66 Cb -0.23 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 2cye s ILE 66 CO 0.33 0.52 0.03 -0.76 0.00 0.00 0.00 174.94 175.05 2cye s LEU 67 N 0.26 3.31 0.25 2.97 1.43 -1.26 -0.70 118.68 124.94 2cye s LEU 67 Ca -0.06 -0.55 -0.31 0.00 -1.03 0.00 0.00 54.13 52.18 2cye s LEU 67 Cb -0.15 -1.85 -0.12 0.00 0.03 0.00 0.00 46.19 44.10 2cye s LEU 67 CO 0.04 0.01 1.62 -0.11 0.23 0.00 0.00 176.35 178.14 2cye n LEU 68 N -0.83 4.05 0.00 1.79 7.94 -1.26 -1.12 117.00 127.57 2cye n LEU 68 Ca -0.07 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 2cye n LEU 68 Cb 0.58 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.97 2cye n LEU 68 CO 0.40 0.07 0.00 0.61 -1.11 0.00 0.00 177.39 177.37 2cye n GLY 69 N 2.80 2.07 3.77 -3.96 0.00 -1.26 -5.05 105.19 103.57 2cye n GLY 69 Ca 0.12 0.00 -0.40 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 -1.56 6.08 -0.38 1.61 1.11 -0.28 -4.95 116.67 118.32 2cye s ASP 70 Ca 0.00 2.83 -0.23 0.00 0.18 0.00 0.00 52.55 55.33 2cye s ASP 70 Cb 0.00 -2.65 0.01 0.00 1.07 0.00 0.00 42.92 41.35 2cye s ASP 70 CO 0.00 -1.03 0.79 -0.70 1.18 0.00 0.00 175.17 175.41 2cye s GLU 71 N -2.33 3.70 -0.09 8.23 2.12 -1.26 -4.57 118.70 124.49 2cye s GLU 71 Ca 0.59 0.26 0.02 0.00 0.36 0.00 0.00 54.97 56.19 2cye s GLU 71 Cb -0.42 -3.83 -0.02 0.00 0.26 0.00 0.00 34.13 30.13 2cye s GLU 71 CO 0.54 -0.89 -0.15 0.08 -0.54 0.00 0.00 175.26 174.30 2cye s VAL 72 N 3.14 2.90 0.08 3.70 1.01 -1.25 -0.60 120.40 129.39 2cye s VAL 72 Ca 0.31 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.62 2cye s VAL 72 Cb -0.13 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2cye s VAL 72 CO 0.18 0.55 -0.18 -0.36 0.00 0.00 0.00 175.10 175.29 2cye s PHE 73 N -0.08 1.53 -0.08 5.22 0.40 -0.82 -1.07 117.98 123.10 2cye s PHE 73 Ca -0.03 -0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 55.87 2cye s PHE 73 Cb -0.14 -0.86 0.02 0.00 0.51 0.00 0.00 43.02 42.56 2cye s PHE 73 CO 0.04 0.13 -0.04 0.08 0.70 0.00 0.00 175.22 176.13 2cye s VAL 74 N -1.16 0.65 0.03 -0.44 1.01 0.14 -0.72 120.40 119.91 2cye s VAL 74 Ca 0.03 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2cye s VAL 74 Cb -0.10 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2cye s VAL 74 CO 0.03 0.29 -0.06 -0.83 0.00 0.00 0.00 175.10 174.53 2cye s GLY 75 N 1.54 1.78 0.02 4.51 0.00 0.24 -0.67 107.32 114.74 2cye s GLY 75 Ca -0.00 -1.07 0.01 0.00 0.00 0.00 0.00 44.72 43.66 2cye s GLY 75 CO -0.04 -0.97 -0.05 0.54 0.00 0.00 0.00 173.10 172.58 2cye s VAL 76 N -1.08 0.34 -0.06 1.40 0.11 -0.43 -0.30 120.40 120.38 2cye s VAL 76 Ca 0.19 -0.77 -0.28 0.00 -2.93 0.00 0.00 61.98 58.19 2cye s VAL 76 Cb -0.11 -0.40 0.06 0.00 -1.53 0.00 0.00 36.38 34.40 2cye s VAL 76 CO 0.10 -0.29 0.63 0.00 -3.33 0.00 0.00 175.10 172.21 2cye s ARG 77 N -1.12 0.99 -0.11 1.54 1.70 -0.61 -3.75 118.95 117.58 2cye s ARG 77 Ca -0.09 0.24 -0.25 0.00 -0.47 0.00 0.00 55.73 55.17 2cye s ARG 77 Cb -0.08 0.46 -0.02 0.00 -0.57 0.00 0.00 34.95 34.74 2cye s ARG 77 CO -0.00 -0.30 0.79 0.99 -1.08 0.00 0.00 175.30 175.71 2cye s THR 78 N -1.11 4.95 -0.61 4.99 2.01 -1.26 -0.34 115.64 124.27 2cye s THR 78 Ca -0.11 1.59 0.14 0.00 0.31 0.00 0.00 61.69 63.63 2cye s THR 78 Cb -0.01 -4.11 -0.16 0.00 0.01 0.00 0.00 72.50 68.22 2cye s THR 78 CO 0.09 0.13 0.58 1.33 -0.69 0.00 0.00 174.62 176.05 2cye n VAL 79 N 4.30 0.00 -3.59 3.82 0.24 0.14 -4.93 118.33 118.31 2cye n VAL 79 Ca 0.02 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 2cye n VAL 79 Cb 0.50 0.91 -0.06 0.00 -1.47 0.00 0.00 33.84 33.72 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 -2.49 -0.38 -0.12 7.63 0.00 -1.08 -4.97 107.32 105.91 2cye s GLY 80 Ca 0.04 2.01 0.01 0.00 0.00 0.00 0.00 44.72 46.78 2cye s GLY 80 CO 0.59 1.37 -0.15 1.08 0.00 0.00 0.00 173.10 175.99 2cye s LEU 81 N -0.46 2.61 0.00 0.66 1.43 -1.26 -0.49 118.68 121.16 2cye s LEU 81 Ca -0.03 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2cye s LEU 81 Cb -0.02 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.62 2cye s LEU 81 CO 0.02 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.38 2cye n GLY 82 N 3.45 2.87 0.01 -3.19 0.00 0.12 -4.97 105.19 103.48 2cye n GLY 82 Ca -0.18 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.06 2cye n GLY 82 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2cye h ARG 83 N 0.00 0.00 -0.15 1.61 2.43 -1.99 -3.42 114.38 112.86 2cye h ARG 83 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2cye h ARG 83 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2cye h ARG 83 CO 0.00 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.33 2cye n SER 84 N -2.63 2.45 -4.64 -3.80 3.41 -1.26 -1.19 113.62 105.95 2cye n SER 84 Ca -0.01 -1.71 -0.26 0.00 -0.26 0.00 0.00 58.87 56.63 2cye n SER 84 Cb 0.04 -0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.07 4.04 -0.07 4.04 1.04 -1.26 -0.48 113.70 119.94 2cye s SER 85 Ca 0.20 -1.22 -0.18 0.00 0.48 0.00 0.00 55.95 55.22 2cye s SER 85 Cb 0.12 -0.43 0.04 0.00 0.10 0.00 0.00 66.02 65.85 2cye s SER 85 CO 0.17 -0.41 0.41 -1.48 0.98 0.00 0.00 173.24 172.91 2cye s LEU 86 N -3.75 0.43 0.47 2.42 0.05 -0.30 0.16 118.68 118.17 2cye s LEU 86 Ca 0.36 0.44 0.07 0.00 0.05 0.00 0.00 54.13 55.05 2cye s LEU 86 Cb 0.06 1.56 -0.00 0.00 -2.05 0.00 0.00 46.19 45.76 2cye s LEU 86 CO 0.19 -0.39 0.35 -0.13 -0.55 0.00 0.00 176.35 175.83 2cye s ARG 87 N -0.83 2.35 -0.22 1.48 0.52 0.36 -1.18 118.95 121.42 2cye s ARG 87 Ca -0.09 -1.80 -0.14 0.00 -0.52 0.00 0.00 55.73 53.18 2cye s ARG 87 Cb -0.04 -2.18 0.07 0.00 0.52 0.00 0.00 34.95 33.32 2cye s ARG 87 CO 0.04 -0.36 0.55 -2.00 0.02 0.00 0.00 175.30 173.55 2cye s GLU 89 N -4.15 0.57 -0.09 3.54 2.12 0.54 0.23 118.70 121.46 2cye s GLU 89 Ca 0.41 0.97 0.03 0.00 0.36 0.00 0.00 54.97 56.74 2cye s GLU 89 Cb -0.01 0.10 -0.01 0.00 0.26 0.00 0.00 34.13 34.47 2cye s GLU 89 CO 0.24 -0.14 -0.20 -1.01 -0.54 0.00 0.00 175.26 173.61 2cye s HIS 90 N 1.31 2.61 -0.18 5.30 3.76 0.65 -1.58 115.29 127.17 2cye s HIS 90 Ca -0.08 -0.71 0.01 0.00 -0.15 0.00 0.00 55.06 54.13 2cye s HIS 90 Cb -0.06 -1.70 0.03 0.00 1.11 0.00 0.00 32.58 31.96 2cye s HIS 90 CO -0.13 -0.21 -0.15 -1.17 -0.85 0.00 0.00 174.74 172.23 2cye s LEU 91 N 0.04 2.11 -0.23 0.89 2.96 0.59 -0.95 118.68 124.08 2cye s LEU 91 Ca -0.08 -0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 53.04 2cye s LEU 91 Cb -0.15 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 2cye s LEU 91 CO 0.05 -0.07 0.10 -0.69 -1.32 0.00 0.00 176.35 174.42 2cye s VAL 92 N 1.37 4.79 0.03 1.68 1.01 -0.17 -0.60 120.40 128.51 2cye s VAL 92 Ca 0.02 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.04 2cye s VAL 92 Cb -0.14 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2cye s VAL 92 CO -0.10 0.36 -0.13 0.42 0.00 0.00 0.00 175.10 175.65 2cye s THR 93 N 1.16 3.16 -0.14 3.92 -4.23 0.10 -0.15 115.64 119.47 2cye s THR 93 Ca 0.05 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 2cye s THR 93 Cb -0.14 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 71.36 2cye s THR 93 CO 0.04 0.35 -0.11 0.00 -0.54 0.00 0.00 174.62 174.35 2cye s ALA 94 N -0.97 1.66 -1.51 3.99 0.00 0.14 -1.93 121.76 123.14 2cye s ALA 94 Ca 0.16 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 51.21 2cye s ALA 94 Cb -0.11 -1.01 0.08 0.00 0.00 0.00 0.00 23.12 22.08 2cye s ALA 94 CO 0.07 -0.41 0.91 0.09 0.00 0.00 0.00 175.76 176.42 2cye n ASN 95 N 4.84 -4.86 0.00 0.00 3.02 0.23 -1.63 115.26 116.85 2cye n ASN 95 Ca -0.15 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 2cye n ASN 95 Cb 0.50 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 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 -1.63 1.85 3.67 7.41 0.00 -1.26 -5.03 105.19 110.19 2cye n GLY 96 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2cye n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cye s GLU 97 N -0.14 2.68 -0.12 1.61 2.02 -0.64 -5.06 118.70 119.06 2cye s GLU 97 Ca 0.00 -0.69 -0.29 0.00 0.02 0.00 0.00 54.97 54.01 2cye s GLU 97 Cb 0.00 -2.61 -0.06 0.00 0.10 0.00 0.00 34.13 31.56 2cye s GLU 97 CO 0.00 0.60 1.94 -1.12 0.02 0.00 0.00 175.26 176.70 2cye s SER 98 N -1.75 6.13 -0.19 -0.19 0.01 -1.26 -0.68 113.70 115.76 2cye s SER 98 Ca 0.21 2.13 0.10 0.00 1.31 0.00 0.00 55.95 59.69 2cye s SER 98 Cb -0.11 -2.52 -0.22 0.00 0.21 0.00 0.00 66.02 63.37 2cye s SER 98 CO 0.12 -1.39 0.07 0.00 0.41 0.00 0.00 173.24 172.46 2cye n ALA 99 N 9.07 1.42 -3.55 1.44 0.00 0.79 -4.29 120.51 125.39 2cye n ALA 99 Ca 0.23 -1.12 -0.16 0.00 0.00 0.00 0.00 53.44 52.39 2cye n ALA 99 Cb 0.43 -0.29 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.52 -1.81 -0.04 0.00 0.00 -0.97 -0.60 121.76 115.81 2cye s ALA 100 Ca -0.19 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2cye s ALA 100 Cb 0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 2cye s ALA 100 CO 0.75 -0.35 -0.14 0.15 0.00 0.00 0.00 175.76 176.17 2cye s LYS 101 N -0.92 1.49 -0.06 0.00 1.02 -0.73 -1.00 119.74 119.54 2cye s LYS 101 Ca -0.07 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.43 2cye s LYS 101 Cb -0.01 -1.32 0.02 0.00 -0.52 0.00 0.00 37.83 35.99 2cye s LYS 101 CO 0.06 0.20 -0.09 0.20 -0.92 0.00 0.00 175.35 174.81 2cye s GLY 102 N 0.07 0.68 -0.24 -3.33 0.00 -0.12 -0.68 107.32 103.70 2cye s GLY 102 Ca -0.03 -0.30 -0.06 0.00 0.00 0.00 0.00 44.72 44.33 2cye s GLY 102 CO 0.01 0.27 0.03 1.08 0.00 0.00 0.00 173.10 174.49 2cye s LEU 103 N 0.81 3.23 0.09 0.66 1.43 0.21 -0.25 118.68 124.86 2cye s LEU 103 Ca -0.12 -0.29 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 2cye s LEU 103 Cb -0.15 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2cye s LEU 103 CO 0.02 -0.03 -0.24 -0.83 0.23 0.00 0.00 176.35 175.50 2cye s GLY 104 N 1.56 1.55 -0.26 -3.19 0.00 -1.26 -0.49 107.32 105.23 2cye s GLY 104 Ca 0.06 -1.34 -0.06 0.00 0.00 0.00 0.00 44.72 43.38 2cye s GLY 104 CO 0.01 -1.28 0.03 0.14 0.00 0.00 0.00 173.10 172.00 2cye s VAL 105 N -0.98 3.79 -0.11 1.40 1.01 0.35 -4.25 120.40 121.61 2cye s VAL 105 Ca 0.14 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 2cye s VAL 105 Cb -0.10 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 2cye s VAL 105 CO 0.05 0.25 -0.01 -0.76 0.00 0.00 0.00 175.10 174.63 2cye s LEU 106 N 1.51 3.47 -0.11 3.92 2.01 -0.33 -0.47 118.68 128.68 2cye s LEU 106 Ca 0.04 0.05 0.03 0.00 0.01 0.00 0.00 54.13 54.26 2cye s LEU 106 Cb -0.16 -1.81 0.00 0.00 0.01 0.00 0.00 46.19 44.24 2cye s LEU 106 CO 0.01 0.30 -0.23 -0.69 1.01 0.00 0.00 176.35 176.75 2cye s VAL 107 N -0.44 2.14 -0.09 -1.59 1.01 -0.40 -1.14 120.40 119.88 2cye s VAL 107 Ca 0.08 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 2cye s VAL 107 Cb -0.12 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 2cye s VAL 107 CO 0.02 0.56 1.00 0.86 0.00 0.00 0.00 175.10 177.54 2cye s TRP 108 N 0.41 3.53 -0.02 5.22 -0.11 0.36 -1.34 118.94 126.99 2cye s TRP 108 Ca -0.17 1.61 0.04 0.00 1.22 0.00 0.00 56.10 58.80 2cye s TRP 108 Cb -0.18 -3.18 -0.03 0.00 -1.50 0.00 0.00 33.47 28.58 2cye s TRP 108 CO 0.07 -0.20 -0.11 -0.51 -4.62 0.00 0.00 176.95 171.59 2cye s LEU 109 N 1.86 2.95 -0.07 5.86 1.43 -0.55 -1.62 118.68 128.54 2cye s LEU 109 Ca 0.49 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 2cye s LEU 109 Cb -0.19 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.39 2cye s LEU 109 CO 0.19 0.31 -0.02 -1.61 0.23 0.00 0.00 176.35 175.46 2cye s GLU 110 N -1.11 0.75 -1.59 1.70 2.02 -0.20 -4.75 118.70 115.52 2cye s GLU 110 Ca 0.14 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.15 2cye s GLU 110 Cb -0.11 -0.99 0.00 0.00 0.10 0.00 0.00 34.13 33.13 2cye s GLU 110 CO 0.04 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.49 2cye n GLY 111 N 4.83 0.50 2.12 -1.39 0.00 -1.26 -1.99 105.19 108.00 2cye n GLY 111 Ca -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.97 0.81 3.14 -0.02 0.00 -1.26 -5.04 105.19 101.85 2cye n GLY 112 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 2cye n GLY 112 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cye s ARG 113 N -0.22 0.75 0.24 1.61 1.70 -0.84 -5.04 118.95 117.15 2cye s ARG 113 Ca 0.00 -1.05 -0.30 0.00 -0.47 0.00 0.00 55.73 53.91 2cye s ARG 113 Cb 0.00 -0.45 -0.14 0.00 -0.57 0.00 0.00 34.95 33.79 2cye s ARG 113 CO 0.00 0.07 1.17 -2.30 -1.08 0.00 0.00 175.30 173.16 2cye n PRO 114 N 0.80 1.49 -3.83 3.89 -0.02 -1.26 -1.03 135.00 135.04 2cye n PRO 114 Ca -0.18 0.53 -0.11 0.00 -2.02 0.00 0.00 63.50 61.72 2cye n PRO 114 Cb 0.57 -2.02 -0.09 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.53 -0.43 0.29 3.55 0.00 -0.64 -4.80 121.76 119.20 2cye s ALA 115 Ca 0.66 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 2cye s ALA 115 Cb -0.73 0.22 -0.13 0.00 0.00 0.00 0.00 23.12 22.48 2cye s ALA 115 CO 0.55 -0.32 1.37 -2.30 0.00 0.00 0.00 175.76 175.06 2cye n PRO 116 N 0.92 2.13 -1.70 0.00 -0.02 -1.26 -4.30 135.00 130.77 2cye n PRO 116 Ca -0.20 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 61.60 2cye n PRO 116 Cb 0.58 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2cye n PRO 116 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2cye n LEU 117 N 1.55 3.91 -4.75 2.45 4.32 -0.33 -4.92 117.00 119.23 2cye n LEU 117 Ca 0.08 1.02 -0.37 0.00 -0.02 0.00 0.00 56.01 56.72 2cye n LEU 117 Cb 0.34 -1.54 0.04 0.00 -1.62 0.00 0.00 43.42 40.64 2cye n LEU 117 CO 0.63 0.12 0.91 -2.84 -1.22 0.00 0.00 177.39 174.99 2cye s PRO 118 N 2.08 3.00 0.31 3.23 0.02 -1.26 -4.85 135.00 137.54 2cye s PRO 118 Ca 0.80 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.85 2cye s PRO 118 Cb -0.52 -2.07 0.52 0.00 0.02 0.00 0.00 34.50 32.45 2cye s PRO 118 CO 0.36 -1.24 1.96 1.49 -0.33 0.00 0.00 177.00 179.24 2cye h GLU 119 N 1.12 1.00 -0.82 5.54 4.57 -1.99 -1.45 114.58 122.56 2cye h GLU 119 Ca -0.51 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 57.64 2cye h GLU 119 Cb 1.30 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 29.62 2cye h GLU 119 CO 0.56 0.66 0.53 0.00 -1.18 0.00 0.00 179.01 179.58 2cye h ALA 120 N 1.52 1.06 -0.23 2.92 0.00 -2.00 0.75 119.26 123.28 2cye h ALA 120 Ca 0.32 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.98 2cye h ALA 120 Cb -0.00 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.50 2cye h ALA 120 CO -0.09 0.38 -0.66 0.82 0.00 0.00 0.00 179.25 179.70 2cye h ILE 121 N 1.04 1.27 -0.56 0.00 1.08 -1.76 -2.89 117.51 115.69 2cye h ILE 121 Ca 0.32 -1.84 -0.02 0.00 -0.39 0.00 0.00 64.86 62.92 2cye h ILE 121 Cb -0.03 1.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.48 2cye h ILE 121 CO -0.10 0.59 0.26 0.03 -0.69 0.00 0.00 178.15 178.24 2cye h ARG 122 N 0.62 0.82 -0.85 2.37 3.08 -0.80 -1.29 114.38 118.32 2cye h ARG 122 Ca -0.02 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2cye h ARG 122 Cb 1.28 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.14 2cye h ARG 122 CO 0.14 0.69 0.50 0.93 -1.07 0.00 0.00 179.97 181.16 2cye h GLU 123 N 0.77 1.16 -0.45 0.04 5.08 -0.89 -0.81 114.58 119.48 2cye h GLU 123 Ca 0.19 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 2cye h GLU 123 Cb 0.15 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2cye h GLU 123 CO -0.02 0.82 -0.21 0.00 -1.00 0.00 0.00 179.01 178.60 2cye h ARG 124 N 1.17 0.90 -0.06 2.33 3.08 -1.26 -1.40 114.38 119.15 2cye h ARG 124 Ca 0.30 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2cye h ARG 124 Cb -0.03 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 2cye h ARG 124 CO -0.05 1.02 0.03 0.82 -1.07 0.00 0.00 179.97 180.71 2cye h ILE 125 N 0.78 1.11 -0.41 2.04 1.08 -0.87 0.08 117.51 121.31 2cye h ILE 125 Ca 0.11 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 2cye h ILE 125 Cb 0.76 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 2cye h ILE 125 CO 0.06 0.09 0.24 -0.09 -0.69 0.00 0.00 178.15 177.77 2cye h ARG 126 N -0.04 0.56 -0.22 2.37 9.65 -1.07 -0.49 114.38 125.14 2cye h ARG 126 Ca 0.02 -0.04 -0.18 0.00 -1.10 0.00 0.00 59.98 58.68 2cye h ARG 126 Cb 0.12 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2cye h ARG 126 CO -0.00 0.40 -0.55 0.00 2.80 0.00 0.00 179.97 182.62 2cye h ALA 127 N 1.70 0.37 -0.39 2.80 0.00 -0.93 -1.90 119.26 120.91 2cye h ALA 127 Ca 0.15 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 2cye h ALA 127 Cb -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2cye h ALA 127 CO -0.03 0.58 -0.16 1.25 0.00 0.00 0.00 179.25 180.89 2cye h LEU 128 N 0.50 0.72 -0.53 0.00 5.85 -0.45 -3.07 115.31 118.34 2cye h LEU 128 Ca -0.00 -0.23 -0.16 0.00 0.84 0.00 0.00 57.88 58.32 2cye h LEU 128 Cb 1.16 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2cye h LEU 128 CO 0.12 0.89 -0.69 -0.33 -0.34 0.00 0.00 178.44 178.09 2cye h GLU 129 N 0.65 0.23 -3.90 1.25 4.39 -1.07 -3.45 114.58 112.68 2cye h GLU 129 Ca 0.10 -0.18 -0.37 0.00 0.34 0.00 0.00 59.36 59.25 2cye h GLU 129 Cb 0.64 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2cye h GLU 129 CO 0.04 0.83 -0.51 0.41 -1.16 0.00 0.00 179.01 178.63 2cye n GLY 130 N 0.47 -0.51 3.32 -3.84 0.00 -0.72 -4.95 105.19 98.96 2cye n GLY 130 Ca -0.03 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2cye n GLY 130 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cye s ARG 131 N -5.34 0.92 0.19 1.61 1.70 -1.26 -5.12 118.95 111.64 2cye s ARG 131 Ca 0.13 -0.37 -0.33 0.00 -0.47 0.00 0.00 55.73 54.69 2cye s ARG 131 Cb -0.06 0.41 -0.14 0.00 -0.57 0.00 0.00 34.95 34.58 2cye s ARG 131 CO 0.16 -0.32 1.38 -2.30 -1.08 0.00 0.00 175.30 173.15 2cye n PRO 132 N 0.50 1.74 0.00 3.89 -0.02 -1.26 -4.97 135.00 134.89 2cye n PRO 132 Ca -0.18 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2cye n PRO 132 Cb 0.60 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2cye n PRO 132 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37