#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 1.59 3.11 -1.84 0.00 -1.26 -5.02 105.19 101.78 2cye n GLY 3 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.68 2.45 0.20 1.61 0.40 -1.26 -4.92 117.98 113.77 2cye s PHE 4 Ca 0.00 -1.28 0.23 0.00 -0.60 0.00 0.00 56.93 55.28 2cye s PHE 4 Cb 0.00 -1.71 0.95 0.00 0.51 0.00 0.00 43.02 42.77 2cye s PHE 4 CO 0.00 -0.62 1.85 -1.00 0.70 0.00 0.00 175.22 176.14 2cye h PRO 5 N 7.56 0.00 -4.72 0.24 0.13 -1.89 -3.44 132.00 129.90 2cye h PRO 5 Ca -0.35 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.33 2cye h PRO 5 Cb 1.17 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.99 2cye h PRO 5 CO 0.55 0.25 -0.80 0.08 -0.23 0.00 0.00 178.00 177.85 2cye s VAL 6 N -3.75 0.89 -0.05 1.56 1.01 -1.24 -5.06 120.40 113.75 2cye s VAL 6 Ca -0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2cye s VAL 6 Cb 0.11 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.72 2cye s VAL 6 CO 0.64 0.27 0.21 0.00 0.00 0.00 0.00 175.10 176.23 2cye s ARG 7 N 0.16 0.37 0.13 2.72 1.04 -1.26 -1.49 118.95 120.62 2cye s ARG 7 Ca -0.03 0.08 0.04 0.00 -1.04 0.00 0.00 55.73 54.78 2cye s ARG 7 Cb -0.09 0.17 -0.04 0.00 -2.04 0.00 0.00 34.95 32.95 2cye s ARG 7 CO 0.01 -0.07 -0.10 0.14 -0.04 0.00 0.00 175.30 175.24 2cye s VAL 8 N -0.43 1.10 0.04 4.99 -7.23 0.22 -4.93 120.40 114.16 2cye s VAL 8 Ca -0.05 -1.95 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2cye s VAL 8 Cb -0.03 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 2cye s VAL 8 CO 0.01 -0.70 0.23 -0.60 -0.31 0.00 0.00 175.10 173.73 2cye s ARG 9 N -3.51 3.48 -0.00 4.82 3.52 -1.26 -0.65 118.95 125.35 2cye s ARG 9 Ca 0.14 -0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.46 2cye s ARG 9 Cb 0.01 -3.04 -0.00 0.00 -1.56 0.00 0.00 34.95 30.36 2cye s ARG 9 CO 0.00 0.62 -0.05 0.54 -0.81 0.00 0.00 175.30 175.61 2cye s VAL 10 N -1.42 0.37 -0.22 7.11 0.11 -0.90 -4.97 120.40 120.47 2cye s VAL 10 Ca 0.32 -0.19 -0.10 0.00 -2.93 0.00 0.00 61.98 59.08 2cye s VAL 10 Cb -0.13 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.36 2cye s VAL 10 CO 0.22 0.11 0.13 -1.81 -3.33 0.00 0.00 175.10 170.42 2cye s ASP 11 N -0.08 5.96 0.06 3.54 1.01 -1.26 -4.01 116.67 121.89 2cye s ASP 11 Ca 0.01 0.10 -0.31 0.00 0.71 0.00 0.00 52.55 53.07 2cye s ASP 11 Cb -0.02 -2.06 -0.07 0.00 1.01 0.00 0.00 42.92 41.78 2cye s ASP 11 CO -0.00 0.10 1.40 -0.69 0.21 0.00 0.00 175.17 176.18 2cye s VAL 12 N 0.86 3.50 0.12 -1.27 1.01 -1.26 -5.01 120.40 118.34 2cye s VAL 12 Ca 0.07 1.01 0.03 0.00 0.00 0.00 0.00 61.98 63.08 2cye s VAL 12 Cb -0.13 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2cye s VAL 12 CO 0.03 0.04 0.20 -0.13 0.00 0.00 0.00 175.10 175.23 2cye s ARG 13 N 1.70 3.22 0.32 2.72 0.52 -1.26 -4.63 118.95 121.54 2cye s ARG 13 Ca 0.64 -0.64 0.01 0.00 -0.52 0.00 0.00 55.73 55.23 2cye s ARG 13 Cb -0.34 -2.87 0.56 0.00 0.52 0.00 0.00 34.95 32.81 2cye s ARG 13 CO 0.29 0.54 1.94 0.35 0.02 0.00 0.00 175.30 178.44 2cye h PHE 14 N 2.64 0.98 0.00 -0.53 3.57 -1.99 -0.66 116.94 120.94 2cye h PHE 14 Ca -0.47 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 2cye h PHE 14 Cb 1.18 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 2cye h PHE 14 CO 0.58 0.54 -0.01 -0.09 -2.23 0.00 0.00 178.31 177.09 2cye h ARG 15 N 0.98 0.00 0.00 1.11 9.65 -2.01 -1.95 114.38 122.16 2cye h ARG 15 Ca 0.35 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 2cye h ARG 15 Cb 0.13 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 2cye h ARG 15 CO -0.12 0.01 0.00 -0.44 2.80 0.00 0.00 179.97 182.22 2cye h ASP 16 N 0.00 0.00 -3.66 -3.80 3.32 -1.50 -3.47 116.42 107.30 2cye h ASP 16 Ca -0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2cye h ASP 16 Cb 0.14 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2cye h ASP 16 CO 0.00 0.00 0.18 -0.76 -1.72 0.00 0.00 179.24 176.94 2cye s LEU 17 N -4.85 4.34 0.70 1.55 1.43 -0.74 -0.87 118.68 120.25 2cye s LEU 17 Ca 0.08 1.54 -0.11 0.00 -1.03 0.00 0.00 54.13 54.61 2cye s LEU 17 Cb 0.10 -3.72 0.02 0.00 0.03 0.00 0.00 46.19 42.63 2cye s LEU 17 CO 0.56 0.00 1.09 -1.81 0.23 0.00 0.00 176.35 176.41 2cye s ASP 18 N -1.64 5.40 0.44 2.29 -0.00 0.61 -4.79 116.67 118.98 2cye s ASP 18 Ca 0.45 1.07 0.20 0.00 -0.00 0.00 0.00 52.55 54.28 2cye s ASP 18 Cb -0.17 -1.87 1.17 0.00 -0.00 0.00 0.00 42.92 42.05 2cye s ASP 18 CO 0.22 -1.35 1.86 -0.65 -0.00 0.00 0.00 175.17 175.25 2cye h PRO 19 N -0.64 0.31 0.00 8.23 0.11 -1.98 -0.89 132.00 137.15 2cye h PRO 19 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2cye h PRO 19 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2cye h PRO 19 CO 0.64 0.21 0.00 1.28 -0.21 0.00 0.00 178.00 179.91 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 0.19 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2cye n LEU 20 Cb 0.76 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2cye n LEU 20 CO 0.32 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2cye n GLY 21 N 0.54 1.00 3.31 -0.72 0.00 -0.34 -5.10 105.19 103.88 2cye n GLY 21 Ca 0.14 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 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 1.59 0.27 1.61 -3.43 -1.26 -4.33 115.29 107.74 2cye s HIS 22 Ca 0.00 -0.59 -0.30 0.00 -0.80 0.00 0.00 55.06 53.36 2cye s HIS 22 Cb 0.00 -0.77 -0.11 0.00 -1.43 0.00 0.00 32.58 30.27 2cye s HIS 22 CO 0.00 0.27 1.54 0.08 -2.00 0.00 0.00 174.74 174.63 2cye s VAL 23 N -2.82 2.30 0.39 -5.38 1.01 0.63 -0.29 120.40 116.24 2cye s VAL 23 Ca 0.19 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 62.15 2cye s VAL 23 Cb -0.01 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 2cye s VAL 23 CO 0.05 0.04 1.29 0.21 0.00 0.00 0.00 175.10 176.69 2cye s ASN 24 N 0.50 6.42 0.34 3.32 2.47 -0.05 -4.75 114.94 123.20 2cye s ASN 24 Ca 0.63 2.64 0.10 0.00 0.42 0.00 0.00 52.86 56.65 2cye s ASN 24 Cb -0.46 -2.64 0.87 0.00 -1.45 0.00 0.00 41.25 37.58 2cye s ASN 24 CO 0.45 -0.77 1.79 -0.55 -3.72 0.00 0.00 177.10 174.30 2cye h ASN 25 N 2.82 0.65 0.45 -4.21 -1.07 -1.93 -1.57 115.58 110.72 2cye h ASN 25 Ca -0.49 0.09 -0.18 0.00 0.07 0.00 0.00 56.30 55.78 2cye h ASN 25 Cb 1.24 -0.03 -0.01 0.00 -2.07 0.00 0.00 38.32 37.45 2cye h ASN 25 CO 0.63 0.21 -0.77 0.00 0.07 0.00 0.00 177.43 177.58 2cye h ALA 26 N 1.64 0.63 0.00 4.14 0.00 -1.97 -3.11 119.26 120.60 2cye h ALA 26 Ca 0.56 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2cye h ALA 26 Cb 1.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2cye h ALA 26 CO -0.33 0.82 -0.10 0.28 0.00 0.00 0.00 179.25 179.92 2cye h VAL 27 N 0.16 0.89 -0.80 0.00 2.07 -1.63 -1.19 116.25 115.74 2cye h VAL 27 Ca -0.03 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.16 2cye h VAL 27 Cb 1.34 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 2cye h VAL 27 CO 0.12 0.10 0.53 -0.26 0.02 0.00 0.00 177.57 178.08 2cye h PHE 28 N 0.00 0.92 0.00 1.57 -1.00 -1.47 -0.80 116.94 116.17 2cye h PHE 28 Ca -0.00 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.74 2cye h PHE 28 Cb 0.21 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 2cye h PHE 28 CO 0.00 0.51 -0.31 -0.07 -1.61 0.00 0.00 178.31 176.83 2cye h LEU 29 N 0.94 0.00 -0.53 1.54 4.07 -1.36 -2.27 115.31 117.69 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 0.13 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 2cye h LEU 29 CO -0.11 0.31 -0.72 0.28 -1.08 0.00 0.00 178.44 177.12 2cye h SER 30 N 0.00 0.13 0.00 -0.43 0.02 -1.15 0.13 113.55 112.24 2cye h SER 30 Ca -0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2cye h SER 30 Cb 0.59 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2cye h SER 30 CO 0.04 0.80 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 4.01 -0.74 -2.35 117.16 117.79 2cye n TYR 31 Ca -0.02 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2cye n TYR 31 Cb 0.70 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 2cye n TYR 31 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2cye n GLU 33 N 0.47 0.00 -0.32 -0.72 2.13 0.03 -3.40 120.64 118.83 2cye n GLU 33 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 2cye n GLU 33 Cb 0.14 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.96 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 0.96 -0.28 4.31 5.85 -1.74 0.11 115.31 124.51 2cye h LEU 34 Ca 0.00 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2cye h LEU 34 Cb 0.00 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2cye h LEU 34 CO 0.00 0.67 -0.04 0.00 -0.34 0.00 0.00 178.44 178.73 2cye h ALA 35 N 1.35 0.39 -0.74 1.25 0.00 -1.87 -2.51 119.26 117.13 2cye h ALA 35 Ca 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2cye h ALA 35 Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2cye h ALA 35 CO -0.10 0.17 0.41 -0.09 0.00 0.00 0.00 179.25 179.64 2cye h ARG 36 N 0.30 1.03 -0.59 0.00 2.43 -1.72 -1.32 114.38 114.51 2cye h ARG 36 Ca 0.08 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 2cye h ARG 36 Cb 0.50 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 2cye h ARG 36 CO 0.02 0.76 0.13 0.82 -1.51 0.00 0.00 179.97 180.19 2cye h ILE 37 N 1.02 1.24 -0.22 1.20 5.03 -0.76 0.16 117.51 125.18 2cye h ILE 37 Ca 0.26 -0.89 -0.07 0.00 -0.12 0.00 0.00 64.86 64.04 2cye h ILE 37 Cb 0.03 0.65 -0.01 0.00 -3.03 0.00 0.00 36.82 34.45 2cye h ILE 37 CO -0.04 0.33 -0.19 -0.09 -0.68 0.00 0.00 178.15 177.48 2cye h ARG 38 N 0.89 0.38 -0.25 2.37 1.12 -1.01 -0.23 114.38 117.64 2cye h ARG 38 Ca 0.19 -0.12 -0.19 0.00 -1.11 0.00 0.00 59.98 58.76 2cye h ARG 38 Cb 0.34 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 2cye h ARG 38 CO 0.00 0.56 -0.58 -0.92 -3.11 0.00 0.00 179.97 175.92 2cye h TYR 39 N 0.35 1.06 -0.15 2.20 5.03 -0.49 -3.04 116.97 121.92 2cye h TYR 39 Ca 0.06 -0.40 -0.07 0.00 2.58 0.00 0.00 58.73 60.90 2cye h TYR 39 Cb 0.53 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 2cye h TYR 39 CO 0.01 1.22 -0.22 0.74 -1.32 0.00 0.00 178.16 178.60 2cye h PHE 40 N 0.59 0.28 0.00 -3.82 0.04 -0.17 -2.07 116.94 111.79 2cye h PHE 40 Ca -0.00 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2cye h PHE 40 Cb 1.19 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.27 2cye h PHE 40 CO 0.08 0.46 0.00 1.04 -0.60 0.00 0.00 178.31 179.29 2cye n GLN 41 N -4.19 0.02 -0.01 1.51 6.02 -0.15 -1.64 117.38 118.94 2cye n GLN 41 Ca -0.01 0.44 0.09 0.00 -0.01 0.00 0.00 57.00 57.51 2cye n GLN 41 Cb 0.34 -1.56 -0.14 0.00 1.02 0.00 0.00 30.24 29.91 2cye n GLN 41 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2cye n ARG 42 N -1.60 0.59 -0.02 -1.09 1.74 -0.79 -5.06 116.66 110.44 2cye n ARG 42 Ca 0.01 -0.15 0.03 0.00 -0.77 0.00 0.00 57.85 56.97 2cye n ARG 42 Cb 0.06 -1.41 0.04 0.00 -1.02 0.00 0.00 32.46 30.12 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 -2.07 0.19 -3.91 0.55 -6.64 -0.65 -4.99 119.36 101.84 2cye n ILE 43 Ca -0.03 -0.60 -0.28 0.00 -1.77 0.00 0.00 62.75 60.07 2cye n ILE 43 Cb 0.45 1.00 -0.01 0.00 -1.44 0.00 0.00 39.64 39.65 2cye n ILE 43 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 2cye n ASP 46 N 0.27 -1.64 0.26 7.28 10.43 -1.26 -4.96 116.55 126.94 2cye n ASP 46 Ca 0.04 -1.04 0.14 0.00 2.57 0.00 0.00 54.79 56.50 2cye n ASP 46 Cb 0.18 -2.99 0.68 0.00 1.84 0.00 0.00 41.12 40.84 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 -1.90 0.00 0.00 1.24 5.08 -1.94 0.18 115.95 118.62 2cye h TRP 47 Ca -0.65 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.24 2cye h TRP 47 Cb 1.37 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.52 2cye h TRP 47 CO 0.45 0.10 -0.42 -0.07 -1.28 0.00 0.00 178.44 177.22 2cye h LEU 48 N 0.00 0.00 -1.99 0.11 3.38 -2.01 -0.16 115.31 114.63 2cye h LEU 48 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2cye h LEU 48 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2cye h LEU 48 CO 0.01 0.42 0.00 -0.62 0.09 0.00 0.00 178.44 178.35 2cye n GLU 49 N -3.87 2.60 -3.51 1.13 -0.58 -0.81 -4.88 120.64 110.72 2cye n GLU 49 Ca -0.01 -1.61 -0.26 0.00 -0.42 0.00 0.00 57.16 54.86 2cye n GLU 49 Cb 0.47 -1.65 0.04 0.00 -0.57 0.00 0.00 31.44 29.73 2cye n GLU 49 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2cye n GLU 50 N 0.50 -5.55 -1.34 3.49 1.02 -0.07 -1.01 120.64 117.67 2cye n GLU 50 Ca 0.15 0.71 -0.12 0.00 -0.02 0.00 0.00 57.16 57.88 2cye n GLU 50 Cb 0.58 -5.61 -0.05 0.00 -0.02 0.00 0.00 31.44 26.34 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 -1.63 1.17 2.14 0.62 0.00 -0.01 -1.21 105.19 106.27 2cye n GLY 51 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.31 0.00 -3.82 1.61 -0.00 -0.18 -4.95 115.22 105.56 2cye n HIS 52 Ca -0.12 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.27 2cye n HIS 52 Cb 0.56 -0.54 -0.05 0.00 -0.00 0.00 0.00 29.99 29.96 2cye n HIS 52 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2cye s PHE 53 N -1.93 3.54 0.09 4.41 0.40 -0.35 -1.19 117.98 122.96 2cye s PHE 53 Ca 0.00 0.44 0.08 0.00 -0.60 0.00 0.00 56.93 56.85 2cye s PHE 53 Cb 0.00 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 2cye s PHE 53 CO 0.00 0.60 -0.22 0.14 0.70 0.00 0.00 175.22 176.44 2cye s VAL 54 N -1.39 1.78 -0.29 -0.44 -7.23 0.10 -4.74 120.40 108.18 2cye s VAL 54 Ca 0.31 -1.50 -0.29 0.00 -1.81 0.00 0.00 61.98 58.68 2cye s VAL 54 Cb -0.13 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.23 2cye s VAL 54 CO 0.20 0.01 1.05 -0.69 -0.31 0.00 0.00 175.10 175.37 2cye s VAL 55 N -1.08 4.58 -0.13 1.32 1.01 -1.26 -0.38 120.40 124.46 2cye s VAL 55 Ca 0.08 1.82 0.16 0.00 0.00 0.00 0.00 61.98 64.04 2cye s VAL 55 Cb -0.10 -4.37 -0.24 0.00 0.00 0.00 0.00 36.38 31.68 2cye s VAL 55 CO 0.04 -0.36 0.35 0.00 0.00 0.00 0.00 175.10 175.12 2cye n ALA 56 N 6.65 1.59 -3.28 5.51 0.00 0.21 -4.97 120.51 126.23 2cye n ALA 56 Ca 0.12 -1.05 -0.00 0.00 0.00 0.00 0.00 53.44 52.51 2cye n ALA 56 Cb 0.47 -0.49 0.01 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.84 0.39 -3.22 0.00 0.63 -1.14 -4.97 116.66 105.51 2cye n ARG 57 Ca -0.24 -0.76 0.04 0.00 -0.92 0.00 0.00 57.85 55.96 2cye n ARG 57 Cb 1.07 0.96 -0.03 0.00 0.45 0.00 0.00 32.46 34.91 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 0.16 -0.09 -0.14 2.02 0.27 -0.48 118.70 118.41 2cye s GLU 59 Ca 0.06 0.33 0.03 0.00 0.02 0.00 0.00 54.97 55.41 2cye s GLU 59 Cb -0.02 0.19 0.01 0.00 0.10 0.00 0.00 34.13 34.41 2cye s GLU 59 CO 0.04 -0.11 -0.18 0.08 0.02 0.00 0.00 175.26 175.11 2cye s VAL 60 N 2.61 1.60 -0.24 2.63 1.01 -1.26 -0.15 120.40 126.60 2cye s VAL 60 Ca -0.02 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 2cye s VAL 60 Cb -0.07 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2cye s VAL 60 CO -0.13 0.46 0.07 -1.81 0.00 0.00 0.00 175.10 173.68 2cye s ASP 61 N 0.58 5.17 -0.49 3.32 1.01 0.04 -4.97 116.67 121.32 2cye s ASP 61 Ca -0.15 -0.18 -0.19 0.00 0.71 0.00 0.00 52.55 52.74 2cye s ASP 61 Cb -0.17 -1.92 0.05 0.00 1.01 0.00 0.00 42.92 41.89 2cye s ASP 61 CO 0.05 -0.01 0.59 -0.31 0.21 0.00 0.00 175.17 175.70 2cye s TYR 62 N 1.49 3.08 -0.10 4.23 2.02 -1.26 -1.37 117.35 125.43 2cye s TYR 62 Ca 0.06 -0.53 -0.09 0.00 -0.37 0.00 0.00 57.07 56.14 2cye s TYR 62 Cb -0.15 -3.44 -0.27 0.00 -0.40 0.00 0.00 41.96 37.70 2cye s TYR 62 CO 0.04 -0.97 0.45 -0.07 -1.57 0.00 0.00 175.55 173.42 2cye h LEU 63 N 9.57 0.46 -7.58 -1.29 3.38 -0.68 -3.48 115.31 115.68 2cye h LEU 63 Ca -0.27 -0.94 -0.17 0.00 0.09 0.00 0.00 57.88 56.58 2cye h LEU 63 Cb 1.10 -0.15 -0.25 0.00 0.09 0.00 0.00 40.66 41.45 2cye h LEU 63 CO 0.94 1.83 -0.50 -0.13 0.09 0.00 0.00 178.44 180.67 2cye s ARG 64 N -2.56 0.27 0.50 1.13 0.52 -0.78 -4.99 118.95 113.04 2cye s ARG 64 Ca -0.21 0.13 -0.22 0.00 -0.52 0.00 0.00 55.73 54.91 2cye s ARG 64 Cb 0.06 0.13 -0.07 0.00 0.52 0.00 0.00 34.95 35.59 2cye s ARG 64 CO 0.79 -0.04 1.17 -2.14 0.02 0.00 0.00 175.30 175.10 2cye s PRO 65 N -0.20 3.55 -0.18 3.54 0.02 -1.26 -4.73 135.00 135.73 2cye s PRO 65 Ca -0.03 1.77 -0.07 0.00 0.02 0.00 0.00 61.00 62.70 2cye s PRO 65 Cb -0.03 -2.26 -0.04 0.00 0.02 0.00 0.00 34.50 32.20 2cye s PRO 65 CO 0.01 -0.73 0.04 0.42 -0.33 0.00 0.00 177.00 176.41 2cye s ILE 66 N -1.59 4.53 0.28 2.83 -1.09 -1.26 -4.98 121.20 119.92 2cye s ILE 66 Ca 0.68 -0.12 0.08 0.00 -2.23 0.00 0.00 60.65 59.05 2cye s ILE 66 Cb -0.28 -3.04 -0.03 0.00 -1.58 0.00 0.00 42.46 37.52 2cye s ILE 66 CO 0.34 0.45 0.20 -0.76 -1.23 0.00 0.00 174.94 173.93 2cye s LEU 67 N 0.52 3.65 0.33 2.97 1.43 -1.26 -0.27 118.68 126.05 2cye s LEU 67 Ca 0.02 -0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 2cye s LEU 67 Cb -0.13 -2.20 -0.11 0.00 0.03 0.00 0.00 46.19 43.78 2cye s LEU 67 CO 0.01 -0.13 1.49 -0.22 0.23 0.00 0.00 176.35 177.73 2cye s LEU 68 N -3.86 4.35 0.00 1.79 2.96 -1.26 -2.07 118.68 120.58 2cye s LEU 68 Ca 0.35 2.93 0.00 0.00 -0.22 0.00 0.00 54.13 57.20 2cye s LEU 68 Cb -0.07 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.97 2cye s LEU 68 CO 0.25 -0.82 0.00 0.61 -1.32 0.00 0.00 176.35 175.06 2cye n GLY 69 N 1.17 1.34 3.77 7.98 0.00 -1.26 -5.04 105.19 113.15 2cye n GLY 69 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.86 5.72 -0.38 1.61 1.01 -0.88 -4.97 116.67 115.92 2cye s ASP 70 Ca 0.00 2.34 -0.22 0.00 0.71 0.00 0.00 52.55 55.38 2cye s ASP 70 Cb 0.00 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.34 2cye s ASP 70 CO 0.00 -1.23 0.70 -0.70 0.21 0.00 0.00 175.17 174.15 2cye s GLU 71 N -3.03 3.62 -0.12 8.23 2.12 -1.26 -4.61 118.70 123.65 2cye s GLU 71 Ca 0.70 0.06 -0.00 0.00 0.36 0.00 0.00 54.97 56.09 2cye s GLU 71 Cb -0.29 -3.84 -0.02 0.00 0.26 0.00 0.00 34.13 30.24 2cye s GLU 71 CO 0.33 -0.84 -0.10 0.08 -0.54 0.00 0.00 175.26 174.19 2cye s VAL 72 N 2.90 3.33 0.06 3.70 1.01 -1.26 -0.07 120.40 130.08 2cye s VAL 72 Ca 0.27 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.73 2cye s VAL 72 Cb -0.14 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2cye s VAL 72 CO 0.17 0.53 -0.16 -0.36 0.00 0.00 0.00 175.10 175.28 2cye s PHE 73 N 0.11 1.38 -0.07 5.22 0.40 -0.97 -2.12 117.98 121.93 2cye s PHE 73 Ca -0.04 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 2cye s PHE 73 Cb -0.14 -0.79 0.02 0.00 0.51 0.00 0.00 43.02 42.62 2cye s PHE 73 CO 0.04 0.08 -0.05 0.08 0.70 0.00 0.00 175.22 176.07 2cye s VAL 74 N -1.06 0.68 0.20 -0.44 1.01 0.17 -0.92 120.40 120.04 2cye s VAL 74 Ca 0.02 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 61.94 2cye s VAL 74 Cb -0.09 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2cye s VAL 74 CO 0.02 0.29 0.06 -0.83 0.00 0.00 0.00 175.10 174.64 2cye s GLY 75 N 1.39 1.66 -0.07 4.51 0.00 0.04 -0.61 107.32 114.23 2cye s GLY 75 Ca -0.03 -1.40 -0.10 0.00 0.00 0.00 0.00 44.72 43.19 2cye s GLY 75 CO -0.03 -1.43 0.25 0.54 0.00 0.00 0.00 173.10 172.44 2cye s VAL 76 N -1.91 0.02 0.07 1.40 0.11 -0.55 -0.69 120.40 118.85 2cye s VAL 76 Ca 0.30 -0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 59.05 2cye s VAL 76 Cb -0.09 -0.41 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 2cye s VAL 76 CO 0.21 -0.09 0.31 0.00 -3.33 0.00 0.00 175.10 172.20 2cye s ARG 77 N -0.27 0.89 -0.15 1.54 1.70 -0.38 -3.69 118.95 118.58 2cye s ARG 77 Ca -0.04 -0.65 -0.19 0.00 -0.47 0.00 0.00 55.73 54.38 2cye s ARG 77 Cb -0.03 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 2cye s ARG 77 CO 0.01 -0.30 0.53 0.99 -1.08 0.00 0.00 175.30 175.44 2cye s THR 78 N -3.17 5.13 -0.71 4.99 2.01 -1.26 -0.55 115.64 122.08 2cye s THR 78 Ca -0.01 1.02 0.07 0.00 0.31 0.00 0.00 61.69 63.09 2cye s THR 78 Cb 0.01 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.68 2cye s THR 78 CO -0.07 0.24 0.57 1.33 -0.69 0.00 0.00 174.62 176.01 2cye n VAL 79 N 4.09 0.00 -3.62 3.82 0.24 0.18 -4.93 118.33 118.12 2cye n VAL 79 Ca -0.05 -0.45 -0.15 0.00 -2.04 0.00 0.00 64.34 61.66 2cye n VAL 79 Cb 0.51 1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 33.91 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 -0.97 -0.53 -0.20 7.63 0.00 -0.95 -4.96 107.32 107.34 2cye s GLY 80 Ca 0.06 1.79 0.00 0.00 0.00 0.00 0.00 44.72 46.58 2cye s GLY 80 CO 0.16 1.51 -0.07 -2.27 0.00 0.00 0.00 173.10 172.43 2cye s LEU 81 N 0.02 2.17 0.00 0.66 0.20 -1.26 -1.09 118.68 119.38 2cye s LEU 81 Ca -0.02 -0.93 0.00 0.00 0.69 0.00 0.00 54.13 53.86 2cye s LEU 81 Cb -0.04 -1.11 0.00 0.00 -0.43 0.00 0.00 46.19 44.61 2cye s LEU 81 CO 0.03 -0.19 0.00 0.61 -0.29 0.00 0.00 176.35 176.50 2cye n GLY 82 N 4.74 1.89 0.01 7.98 0.00 -0.04 -5.02 105.19 114.76 2cye n GLY 82 Ca -0.13 -1.74 -0.01 0.00 0.00 0.00 0.00 46.02 44.14 2cye n GLY 82 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2cye n ARG 83 N 0.00 0.09 0.00 1.61 0.63 -1.26 -4.65 116.66 113.08 2cye n ARG 83 Ca 0.00 0.28 0.08 0.00 -0.92 0.00 0.00 57.85 57.28 2cye n ARG 83 Cb 0.00 -0.91 -0.02 0.00 0.45 0.00 0.00 32.46 31.99 2cye n ARG 83 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2cye n SER 84 N -2.72 1.42 -4.81 6.15 3.41 -1.26 -1.04 113.62 114.77 2cye n SER 84 Ca -0.01 -1.21 -0.22 0.00 -0.26 0.00 0.00 58.87 57.17 2cye n SER 84 Cb 0.06 0.58 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.98 5.28 -0.02 4.04 1.04 -1.26 -0.68 113.70 120.12 2cye s SER 85 Ca 0.12 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2cye s SER 85 Cb 0.12 -1.15 0.02 0.00 0.10 0.00 0.00 66.02 65.11 2cye s SER 85 CO 0.44 -0.16 0.02 -0.22 0.98 0.00 0.00 173.24 174.30 2cye s LEU 86 N -3.87 1.28 0.33 2.42 2.96 0.12 -0.86 118.68 121.05 2cye s LEU 86 Ca 0.36 0.01 0.08 0.00 -0.22 0.00 0.00 54.13 54.36 2cye s LEU 86 Cb -0.07 -0.10 -0.03 0.00 0.50 0.00 0.00 46.19 46.49 2cye s LEU 86 CO 0.25 -0.10 0.23 -0.60 -1.32 0.00 0.00 176.35 174.81 2cye s ARG 87 N 0.85 2.58 -0.25 1.98 3.52 -0.25 -0.41 118.95 126.98 2cye s ARG 87 Ca -0.07 -1.39 -0.16 0.00 -0.13 0.00 0.00 55.73 53.97 2cye s ARG 87 Cb -0.11 -2.35 0.07 0.00 -1.56 0.00 0.00 34.95 31.00 2cye s ARG 87 CO -0.02 0.11 0.63 -2.00 -0.81 0.00 0.00 175.30 173.21 2cye s GLU 89 N -3.93 0.66 -0.06 5.12 2.12 0.29 0.51 118.70 123.42 2cye s GLU 89 Ca 0.39 1.07 0.05 0.00 0.36 0.00 0.00 54.97 56.84 2cye s GLU 89 Cb -0.05 0.17 -0.00 0.00 0.26 0.00 0.00 34.13 34.51 2cye s GLU 89 CO 0.25 -0.14 -0.22 -1.01 -0.54 0.00 0.00 175.26 173.60 2cye s HIS 90 N 1.27 2.20 -0.16 5.30 3.76 0.76 -1.25 115.29 127.17 2cye s HIS 90 Ca -0.07 -0.72 0.01 0.00 -0.15 0.00 0.00 55.06 54.12 2cye s HIS 90 Cb -0.05 -1.46 0.02 0.00 1.11 0.00 0.00 32.58 32.19 2cye s HIS 90 CO -0.13 -0.25 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.16 2cye s LEU 91 N 0.07 1.88 -0.21 0.89 2.96 0.13 -0.97 118.68 123.43 2cye s LEU 91 Ca -0.08 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.19 2cye s LEU 91 Cb -0.14 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 2cye s LEU 91 CO 0.04 -0.03 0.09 -0.69 -1.32 0.00 0.00 176.35 174.44 2cye s VAL 92 N 1.38 4.81 0.11 1.68 1.01 -0.31 -0.78 120.40 128.30 2cye s VAL 92 Ca 0.05 -0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.10 2cye s VAL 92 Cb -0.13 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2cye s VAL 92 CO -0.11 0.41 -0.20 0.42 0.00 0.00 0.00 175.10 175.61 2cye s THR 93 N 0.79 2.71 -0.13 3.92 -4.23 -0.10 0.11 115.64 118.71 2cye s THR 93 Ca 0.04 -1.54 -0.00 0.00 -1.18 0.00 0.00 61.69 59.01 2cye s THR 93 Cb -0.13 -2.22 0.03 0.00 1.34 0.00 0.00 72.50 71.51 2cye s THR 93 CO 0.02 0.12 -0.08 0.00 -0.54 0.00 0.00 174.62 174.14 2cye s ALA 94 N -1.11 1.44 -1.47 3.99 0.00 0.15 -2.30 121.76 122.46 2cye s ALA 94 Ca 0.17 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 2cye s ALA 94 Cb -0.10 -0.99 0.06 0.00 0.00 0.00 0.00 23.12 22.09 2cye s ALA 94 CO 0.09 -0.51 1.00 0.09 0.00 0.00 0.00 175.76 176.42 2cye n ASN 95 N 4.90 -4.69 0.00 0.00 3.02 0.90 -1.44 115.26 117.95 2cye n ASN 95 Ca -0.13 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 2cye n ASN 95 Cb 0.49 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 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 -1.74 2.88 3.89 7.41 0.00 -1.26 -5.01 105.19 111.36 2cye n GLY 96 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2cye n GLY 96 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cye s GLU 97 N -0.05 3.63 0.12 1.61 2.56 -0.52 -5.03 118.70 121.02 2cye s GLU 97 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 54.97 54.63 2cye s GLU 97 Cb 0.00 -2.99 -0.08 0.00 2.00 0.00 0.00 34.13 33.06 2cye s GLU 97 CO 0.00 0.57 1.41 -1.12 -0.56 0.00 0.00 175.26 175.56 2cye s SER 98 N -1.97 6.80 -0.07 -1.70 0.01 -1.26 0.31 113.70 115.82 2cye s SER 98 Ca 0.33 2.36 0.06 0.00 1.31 0.00 0.00 55.95 60.02 2cye s SER 98 Cb -0.13 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.42 2cye s SER 98 CO 0.20 -0.67 0.02 0.00 0.41 0.00 0.00 173.24 173.20 2cye n ALA 99 N 3.91 1.82 -3.58 1.44 0.00 0.12 -4.30 120.51 119.91 2cye n ALA 99 Ca 0.12 -0.48 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 2cye n ALA 99 Cb 0.42 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.17 -1.83 -0.08 0.00 0.00 -1.01 0.06 121.76 116.72 2cye s ALA 100 Ca -0.04 1.64 0.03 0.00 0.00 0.00 0.00 51.96 53.59 2cye s ALA 100 Cb 0.02 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2cye s ALA 100 CO 0.29 -0.33 -0.18 0.21 0.00 0.00 0.00 175.76 175.76 2cye s LYS 101 N -0.55 2.34 -0.07 0.00 2.20 -0.47 -1.16 119.74 122.03 2cye s LYS 101 Ca -0.04 -0.63 0.03 0.00 -0.36 0.00 0.00 55.97 54.96 2cye s LYS 101 Cb -0.02 -1.84 0.01 0.00 -1.51 0.00 0.00 37.83 34.46 2cye s LYS 101 CO 0.04 0.08 -0.15 0.20 -0.36 0.00 0.00 175.35 175.16 2cye s GLY 102 N 0.56 0.91 -0.23 5.54 0.00 -0.14 -0.78 107.32 113.18 2cye s GLY 102 Ca -0.16 -0.53 -0.05 0.00 0.00 0.00 0.00 44.72 43.98 2cye s GLY 102 CO 0.05 0.02 -0.01 1.08 0.00 0.00 0.00 173.10 174.25 2cye s LEU 103 N 0.59 3.07 0.03 0.66 1.43 0.79 -0.17 118.68 125.08 2cye s LEU 103 Ca -0.16 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 52.69 2cye s LEU 103 Cb -0.16 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 2cye s LEU 103 CO 0.05 -0.02 -0.22 -0.83 0.23 0.00 0.00 176.35 175.56 2cye s GLY 104 N 1.51 1.47 -0.28 -3.19 0.00 -1.26 -0.56 107.32 105.01 2cye s GLY 104 Ca 0.06 -1.20 -0.06 0.00 0.00 0.00 0.00 44.72 43.51 2cye s GLY 104 CO -0.01 -1.08 0.06 0.14 0.00 0.00 0.00 173.10 172.21 2cye s VAL 105 N -0.83 3.91 -0.06 1.40 1.01 0.37 -4.28 120.40 121.92 2cye s VAL 105 Ca 0.13 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 2cye s VAL 105 Cb -0.10 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2cye s VAL 105 CO 0.03 0.17 0.09 -0.76 0.00 0.00 0.00 175.10 174.63 2cye s LEU 106 N 1.51 4.01 -0.10 3.92 2.01 0.45 -0.62 118.68 129.87 2cye s LEU 106 Ca 0.04 0.26 0.02 0.00 0.01 0.00 0.00 54.13 54.46 2cye s LEU 106 Cb -0.16 -2.13 0.01 0.00 0.01 0.00 0.00 46.19 43.91 2cye s LEU 106 CO 0.02 0.34 -0.17 -0.69 1.01 0.00 0.00 176.35 176.85 2cye s VAL 107 N -1.08 1.63 -0.01 -1.59 1.01 0.49 -0.71 120.40 120.14 2cye s VAL 107 Ca 0.19 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 2cye s VAL 107 Cb -0.12 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2cye s VAL 107 CO 0.09 0.47 1.08 0.86 0.00 0.00 0.00 175.10 177.59 2cye s TRP 108 N 0.77 3.50 0.02 5.22 -0.11 0.14 -0.72 118.94 127.76 2cye s TRP 108 Ca -0.11 1.49 0.07 0.00 1.22 0.00 0.00 56.10 58.78 2cye s TRP 108 Cb -0.16 -3.26 -0.03 0.00 -1.50 0.00 0.00 33.47 28.52 2cye s TRP 108 CO 0.01 -0.61 -0.19 -0.51 -4.62 0.00 0.00 176.95 171.04 2cye s LEU 109 N 1.39 2.52 -0.06 5.86 1.43 -0.33 -1.56 118.68 127.93 2cye s LEU 109 Ca 0.54 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2cye s LEU 109 Cb -0.23 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.54 2cye s LEU 109 CO 0.26 0.28 0.03 -1.61 0.23 0.00 0.00 176.35 175.54 2cye s GLU 110 N -1.19 0.28 -1.23 1.70 2.02 0.20 -4.71 118.70 115.76 2cye s GLU 110 Ca 0.13 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.35 2cye s GLU 110 Cb -0.10 -0.77 0.00 0.00 0.10 0.00 0.00 34.13 33.35 2cye s GLU 110 CO 0.03 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.40 2cye n GLY 111 N 5.22 1.07 2.04 -1.39 0.00 -1.26 -2.11 105.19 108.76 2cye n GLY 111 Ca -0.05 -0.46 -0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.43 0.47 3.30 -0.02 0.00 -1.26 -5.03 105.19 101.22 2cye n GLY 112 Ca -0.12 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.32 1.17 0.38 1.61 1.81 -0.90 -5.03 118.95 117.68 2cye s ARG 113 Ca 0.00 -1.25 -0.28 0.00 -1.72 0.00 0.00 55.73 52.49 2cye s ARG 113 Cb 0.00 -1.36 -0.11 0.00 -0.45 0.00 0.00 34.95 33.03 2cye s ARG 113 CO 0.00 0.30 1.44 -2.30 -0.68 0.00 0.00 175.30 174.06 2cye n PRO 114 N 0.81 2.49 -3.80 3.54 -0.02 -1.26 -0.63 135.00 136.13 2cye n PRO 114 Ca -0.17 0.88 -0.12 0.00 -2.02 0.00 0.00 63.50 62.06 2cye n PRO 114 Cb 0.55 -2.59 -0.08 0.00 -0.02 0.00 0.00 33.50 31.35 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 -1.13 -0.57 0.20 3.55 0.00 -0.60 -4.79 121.76 118.42 2cye s ALA 115 Ca 0.55 0.01 -0.33 0.00 0.00 0.00 0.00 51.96 52.20 2cye s ALA 115 Cb -0.49 0.19 -0.13 0.00 0.00 0.00 0.00 23.12 22.69 2cye s ALA 115 CO 0.62 -0.31 1.57 -2.30 0.00 0.00 0.00 175.76 175.35 2cye n PRO 116 N 0.98 2.31 -1.67 0.00 -0.02 -1.26 -4.27 135.00 131.07 2cye n PRO 116 Ca -0.20 0.83 -0.45 0.00 -2.02 0.00 0.00 63.50 61.66 2cye n PRO 116 Cb 0.57 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 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 3.14 3.04 -4.75 2.45 4.32 -0.21 -4.90 117.00 120.09 2cye n LEU 117 Ca 0.15 1.14 -0.37 0.00 -0.02 0.00 0.00 56.01 56.91 2cye n LEU 117 Cb 0.31 -1.42 0.03 0.00 -1.62 0.00 0.00 43.42 40.73 2cye n LEU 117 CO 0.63 -0.51 0.90 -2.84 -1.22 0.00 0.00 177.39 174.35 2cye s PRO 118 N -0.34 3.09 0.46 3.23 0.02 -1.26 -4.86 135.00 135.35 2cye s PRO 118 Ca 0.69 2.01 0.12 0.00 0.02 0.00 0.00 61.00 63.84 2cye s PRO 118 Cb -0.66 -2.11 1.06 0.00 0.02 0.00 0.00 34.50 32.81 2cye s PRO 118 CO 0.49 -1.16 2.09 1.49 -0.33 0.00 0.00 177.00 179.58 2cye h GLU 119 N 1.23 0.29 -0.81 5.54 4.57 -1.99 -2.00 114.58 121.40 2cye h GLU 119 Ca -0.51 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 57.70 2cye h GLU 119 Cb 1.30 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.77 2cye h GLU 119 CO 0.56 0.19 0.52 0.00 -1.18 0.00 0.00 179.01 179.10 2cye h ALA 120 N 1.85 1.08 -0.20 2.92 0.00 -2.00 -1.00 119.26 121.91 2cye h ALA 120 Ca 0.10 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2cye h ALA 120 Cb 0.04 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2cye h ALA 120 CO -0.02 0.32 -0.67 0.82 0.00 0.00 0.00 179.25 179.70 2cye h ILE 121 N 0.99 1.28 -0.59 0.00 1.08 -1.75 -3.00 117.51 115.52 2cye h ILE 121 Ca 0.33 -1.86 0.03 0.00 -0.39 0.00 0.00 64.86 62.97 2cye h ILE 121 Cb 0.05 1.87 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 2cye h ILE 121 CO -0.13 0.60 0.35 0.03 -0.69 0.00 0.00 178.15 178.31 2cye h ARG 122 N 0.55 0.67 -0.32 2.37 3.08 -0.88 -1.56 114.38 118.30 2cye h ARG 122 Ca -0.03 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 2cye h ARG 122 Cb 1.29 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 2cye h ARG 122 CO 0.14 0.45 -0.26 1.05 -1.07 0.00 0.00 179.97 180.27 2cye h GLU 123 N 0.69 0.65 -0.20 0.04 4.11 -1.25 -0.69 114.58 117.93 2cye h GLU 123 Ca 0.24 -0.27 -0.08 0.00 0.07 0.00 0.00 59.36 59.33 2cye h GLU 123 Cb 0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2cye h GLU 123 CO -0.11 0.85 -0.21 0.00 0.07 0.00 0.00 179.01 179.61 2cye h ARG 124 N 0.56 0.35 -0.17 1.06 3.08 -1.32 -0.80 114.38 117.15 2cye h ARG 124 Ca 0.07 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 2cye h ARG 124 Cb 0.74 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2cye h ARG 124 CO 0.06 0.55 -0.32 0.82 -1.07 0.00 0.00 179.97 180.01 2cye h ILE 125 N 0.32 1.35 -0.80 2.04 2.04 -0.92 -1.29 117.51 120.25 2cye h ILE 125 Ca 0.05 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 2cye h ILE 125 Cb 0.56 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 2cye h ILE 125 CO 0.04 0.47 0.45 0.03 0.00 0.00 0.00 178.15 179.14 2cye h ARG 126 N 0.16 1.10 -0.34 2.37 3.08 -0.84 -0.39 114.38 119.53 2cye h ARG 126 Ca 0.01 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 2cye h ARG 126 Cb 0.91 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2cye h ARG 126 CO 0.07 0.79 -0.15 0.00 -1.07 0.00 0.00 179.97 179.62 2cye h ALA 127 N 1.39 0.48 -0.41 0.04 0.00 -1.11 0.39 119.26 120.04 2cye h ALA 127 Ca 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2cye h ALA 127 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2cye h ALA 127 CO -0.05 0.38 0.21 1.25 0.00 0.00 0.00 179.25 181.04 2cye h LEU 128 N 0.48 0.52 -0.13 0.00 6.46 -0.78 -2.75 115.31 119.10 2cye h LEU 128 Ca 0.08 -0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.67 2cye h LEU 128 Cb 0.68 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 2cye h LEU 128 CO 0.05 0.47 -0.31 -0.33 -0.62 0.00 0.00 178.44 177.69 2cye h GLU 129 N 0.52 0.00 -2.97 1.25 4.39 -1.06 -3.46 114.58 113.26 2cye h GLU 129 Ca 0.14 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.64 2cye h GLU 129 Cb 0.08 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 28.78 2cye h GLU 129 CO -0.02 0.31 -0.32 0.41 -1.16 0.00 0.00 179.01 178.23 2cye n GLY 130 N 1.06 0.15 3.21 -3.84 0.00 0.13 -5.03 105.19 100.88 2cye n GLY 130 Ca 0.02 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 2cye n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cye s ARG 131 N -5.40 0.78 0.00 1.61 0.52 -0.66 -5.03 118.95 110.76 2cye s ARG 131 Ca 0.23 -0.66 0.32 0.00 -0.52 0.00 0.00 55.73 55.09 2cye s ARG 131 Cb -0.10 0.33 1.81 0.00 0.52 0.00 0.00 34.95 37.51 2cye s ARG 131 CO 0.28 -0.24 2.17 -0.35 0.02 0.00 0.00 175.30 177.18