#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri n ARG 3 N 0.00 0.63 -0.00 0.00 0.63 -1.26 -4.68 116.66 111.98 2wri n ARG 3 Ca 0.00 0.29 -0.00 0.00 -0.92 0.00 0.00 57.85 57.22 2wri n ARG 3 Cb 0.00 -1.79 -0.00 0.00 0.45 0.00 0.00 32.46 31.12 2wri n ARG 3 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wri h ARG 4 N 0.00 0.00 -6.20 -0.14 3.08 -2.13 -3.49 114.38 105.50 2wri h ARG 4 Ca -0.28 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.24 2wri h ARG 4 Cb 1.98 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.01 2wri h ARG 4 CO 0.08 0.00 -0.27 1.03 -1.07 0.00 0.00 179.97 179.73 2wri s ARG 5 N -1.04 2.37 -1.35 0.04 3.00 -1.26 -5.04 118.95 115.67 2wri s ARG 5 Ca -0.00 -1.75 -0.09 0.00 0.00 0.00 0.00 55.73 53.88 2wri s ARG 5 Cb 0.00 -2.34 0.11 0.00 0.00 0.00 0.00 34.95 32.72 2wri s ARG 5 CO 0.00 -0.54 2.14 -2.13 0.00 0.00 0.00 175.30 174.77 2wri n ARG 6 N -1.82 3.71 0.00 3.54 0.63 -1.26 -4.90 116.66 116.55 2wri n ARG 6 Ca 0.05 -3.24 0.00 0.00 -0.92 0.00 0.00 57.85 53.73 2wri n ARG 6 Cb 0.63 -2.91 0.00 0.00 0.45 0.00 0.00 32.46 30.62 2wri n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wri n ALA 7 N 3.75 0.00 0.00 5.13 0.00 -1.26 -4.77 120.51 123.36 2wri n ALA 7 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2wri n ALA 7 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2wri n ALA 7 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wri n GLU 8 N 14.00 0.00 -1.36 0.00 4.07 -1.26 -5.10 120.64 130.99 2wri n GLU 8 Ca 0.00 0.00 -0.57 0.00 -0.06 0.00 0.00 57.16 56.53 2wri n GLU 8 Cb 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.28 2wri n GLU 8 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2wri n VAL 9 N 0.00 0.09 -0.39 6.31 0.31 -1.26 -4.87 118.33 118.52 2wri n VAL 9 Ca 0.00 -0.10 -0.27 0.00 -0.01 0.00 0.00 64.34 63.96 2wri n VAL 9 Cb 0.00 -0.97 0.25 0.00 -0.91 0.00 0.00 33.84 32.21 2wri n VAL 9 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wri n ARG 10 N 7.53 -3.50 -3.73 5.55 0.63 -1.26 -5.01 116.66 116.87 2wri n ARG 10 Ca 0.48 -1.03 -0.28 0.00 -0.92 0.00 0.00 57.85 56.09 2wri n ARG 10 Cb 0.07 -1.85 -0.16 0.00 0.45 0.00 0.00 32.46 30.97 2wri n ARG 10 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2wri s GLN 11 N -4.40 0.69 0.69 -0.14 2.00 -1.26 -5.13 119.66 112.11 2wri s GLN 11 Ca 0.60 -0.60 -0.16 0.00 -2.00 0.00 0.00 55.36 53.20 2wri s GLN 11 Cb -0.14 -2.05 0.01 0.00 0.80 0.00 0.00 33.01 31.63 2wri s GLN 11 CO 0.55 -0.74 1.19 -0.51 -0.50 0.00 0.00 175.29 175.28 2wri s LEU 12 N 1.80 3.41 -0.21 3.68 1.43 -1.26 -5.02 118.68 122.51 2wri s LEU 12 Ca 0.02 2.31 -0.08 0.00 -1.03 0.00 0.00 54.13 55.35 2wri s LEU 12 Cb -0.17 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.42 2wri s LEU 12 CO -0.13 -2.00 0.08 -1.58 0.23 0.00 0.00 176.35 172.95 2wri s GLN 13 N -3.80 3.89 0.38 1.70 0.74 -1.26 -4.95 119.66 116.37 2wri s GLN 13 Ca 0.74 -0.37 -0.11 0.00 0.05 0.00 0.00 55.36 55.66 2wri s GLN 13 Cb -0.28 -3.29 -0.09 0.00 1.10 0.00 0.00 33.01 30.44 2wri s GLN 13 CO 0.42 0.11 -0.17 -2.30 -0.55 0.00 0.00 175.29 172.79 2wri n PRO 14 N 4.05 0.00 -1.72 1.67 -0.02 -1.26 -4.84 135.00 132.88 2wri n PRO 14 Ca -0.16 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.95 2wri n PRO 14 Cb 0.52 -0.63 0.07 0.00 -0.02 0.00 0.00 33.50 33.44 2wri n PRO 14 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wri s ASP 15 N -0.63 4.60 -0.24 2.55 3.68 -0.99 -4.75 116.67 120.88 2wri s ASP 15 Ca 0.34 2.56 0.09 0.00 2.13 0.00 0.00 52.55 57.67 2wri s ASP 15 Cb -0.27 -2.61 0.65 0.00 -1.45 0.00 0.00 42.92 39.24 2wri s ASP 15 CO 0.44 -2.01 1.60 0.18 0.13 0.00 0.00 175.17 175.51 2wri n LEU 16 N -2.00 5.26 0.00 -1.34 4.77 -1.26 -1.89 117.00 120.53 2wri n LEU 16 Ca 0.15 -2.71 0.00 0.00 -0.03 0.00 0.00 56.01 53.43 2wri n LEU 16 Cb 0.49 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2wri n LEU 16 CO 0.47 0.67 0.00 0.52 -1.33 0.00 0.00 177.39 177.71 2wri n VAL 17 N 0.16 0.00 0.08 4.08 0.31 -1.26 -4.88 118.33 116.82 2wri n VAL 17 Ca 0.30 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.64 2wri n VAL 17 Cb 1.16 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 34.08 2wri n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2wri n TYR 18 N -1.39 0.00 -3.62 3.52 4.02 -1.26 -5.00 117.16 113.42 2wri n TYR 18 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 2wri n TYR 18 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.39 2wri n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wri n GLY 19 N 0.76 -0.52 3.22 2.72 0.00 -0.79 -4.88 105.19 105.69 2wri n GLY 19 Ca 0.01 0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 2wri n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wri s ASP 20 N -3.43 3.80 0.16 1.61 -1.08 -1.26 -4.50 116.67 111.96 2wri s ASP 20 Ca 0.53 -0.54 -0.16 0.00 -0.52 0.00 0.00 52.55 51.87 2wri s ASP 20 Cb -0.24 -1.62 0.06 0.00 -1.46 0.00 0.00 42.92 39.66 2wri s ASP 20 CO 0.74 -0.02 1.77 -0.37 0.52 0.00 0.00 175.17 177.81 2wri h VAL 21 N 5.84 0.95 -0.11 1.11 -1.51 -1.90 -1.71 116.25 118.92 2wri h VAL 21 Ca -0.43 -0.12 0.03 0.00 -1.23 0.00 0.00 66.70 64.95 2wri h VAL 21 Cb 1.15 0.55 -0.00 0.00 -2.13 0.00 0.00 31.29 30.86 2wri h VAL 21 CO 0.62 0.07 0.08 0.25 -1.23 0.00 0.00 177.57 177.36 2wri h LEU 22 N 0.36 0.00 -0.14 4.19 6.46 -1.97 -2.18 115.31 122.03 2wri h LEU 22 Ca 0.17 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.83 2wri h LEU 22 Cb 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 2wri h LEU 22 CO -0.14 0.00 -0.30 0.58 -0.62 0.00 0.00 178.44 177.96 2wri h VAL 23 N 0.00 1.36 -0.79 1.05 2.07 -1.75 -2.52 116.25 115.68 2wri h VAL 23 Ca 0.05 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 2wri h VAL 23 Cb 0.22 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 2wri h VAL 23 CO -0.00 0.47 0.39 0.71 0.02 0.00 0.00 177.57 179.16 2wri h THR 24 N 0.07 1.25 -0.32 2.57 1.35 -1.33 -0.24 112.91 116.26 2wri h THR 24 Ca 0.00 -0.68 0.07 0.00 -0.55 0.00 0.00 66.41 65.26 2wri h THR 24 Cb 0.90 0.24 -0.08 0.00 -1.73 0.00 0.00 68.15 67.48 2wri h THR 24 CO 0.07 0.29 -0.23 0.00 -0.25 0.00 0.00 175.52 175.40 2wri h ALA 25 N 1.20 -0.04 -0.57 6.62 0.00 -1.34 0.11 119.26 125.23 2wri h ALA 25 Ca 0.27 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2wri h ALA 25 Cb 0.10 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2wri h ALA 25 CO -0.04 -0.63 0.37 0.35 0.00 0.00 0.00 179.25 179.30 2wri h PHE 26 N -0.20 0.73 0.00 0.00 3.57 -1.00 -1.25 116.94 118.79 2wri h PHE 26 Ca 0.16 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 2wri h PHE 26 Cb 0.45 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 2wri h PHE 26 CO -0.43 0.47 -0.01 0.82 -2.23 0.00 0.00 178.31 176.94 2wri h ILE 27 N 0.78 0.18 -0.03 1.41 2.04 0.81 -1.62 117.51 121.08 2wri h ILE 27 Ca 0.21 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 2wri h ILE 27 Cb -0.07 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2wri h ILE 27 CO -0.04 0.01 -0.07 0.78 0.00 0.00 0.00 178.15 178.83 2wri h ASN 28 N 0.00 0.10 -0.04 1.72 2.35 0.36 -2.74 115.58 117.33 2wri h ASN 28 Ca -0.00 -0.60 0.01 0.00 -0.55 0.00 0.00 56.30 55.16 2wri h ASN 28 Cb 0.06 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 2wri h ASN 28 CO 0.00 0.69 0.16 0.11 -1.65 0.00 0.00 177.43 176.74 2wri h LYS 29 N -0.48 0.00 0.00 0.81 1.79 -1.17 0.66 116.57 118.18 2wri h LYS 29 Ca -0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 2wri h LYS 29 Cb 0.68 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 2wri h LYS 29 CO 0.01 0.00 -0.91 0.82 -1.08 0.00 0.00 179.45 178.29 2wri h ILE 30 N 0.00 0.80 -4.07 1.86 1.08 -1.40 -3.47 117.51 112.31 2wri h ILE 30 Ca 0.02 -2.25 -0.53 0.00 -0.39 0.00 0.00 64.86 61.72 2wri h ILE 30 Cb 0.33 2.31 0.11 0.00 -3.07 0.00 0.00 36.82 36.50 2wri h ILE 30 CO -0.00 0.46 0.50 -0.32 -0.69 0.00 0.00 178.15 178.09 2wri s MET 31 N -2.92 3.15 -0.05 2.37 1.75 0.23 -4.84 119.30 118.99 2wri s MET 31 Ca 0.01 1.89 -0.05 0.00 -1.25 0.00 0.00 55.69 56.30 2wri s MET 31 Cb 0.08 -2.08 0.01 0.00 2.84 0.00 0.00 34.83 35.69 2wri s MET 31 CO 0.78 -1.08 0.13 1.03 -0.65 0.00 0.00 175.02 175.23 2wri s ARG 32 N -3.13 0.18 -0.94 4.11 0.52 -1.26 -4.88 118.95 113.55 2wri s ARG 32 Ca 0.74 0.13 0.00 0.00 -0.52 0.00 0.00 55.73 56.08 2wri s ARG 32 Cb -0.32 0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.24 2wri s ARG 32 CO 0.36 -0.03 0.00 -0.25 0.02 0.00 0.00 175.30 175.40 2wri n ASP 33 N 2.88 -3.08 0.00 0.23 8.00 -1.26 -1.27 116.55 122.06 2wri n ASP 33 Ca -0.13 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2wri n ASP 33 Cb 0.59 -2.77 0.00 0.00 -0.02 0.00 0.00 41.12 38.92 2wri n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wri n GLY 34 N -0.53 0.55 1.91 0.44 0.00 -1.26 -4.91 105.19 101.39 2wri n GLY 34 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 2wri n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wri n LYS 35 N -2.27 1.51 -0.47 1.61 5.02 -0.39 -4.65 118.16 118.52 2wri n LYS 35 Ca 0.00 -0.62 0.42 0.00 -2.02 0.00 0.00 58.31 56.09 2wri n LYS 35 Cb 0.05 -1.68 0.72 0.00 -0.02 0.00 0.00 35.03 34.10 2wri n LYS 35 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wri h LYS 36 N 2.74 0.00 0.44 1.97 3.64 -1.91 0.15 116.57 123.59 2wri h LYS 36 Ca 0.12 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2wri h LYS 36 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2wri h LYS 36 CO 0.18 0.00 -0.21 -0.97 -2.27 0.00 0.00 179.45 176.18 2wri h ASN 37 N 0.00 -0.50 -0.94 4.20 -0.73 -1.99 -1.84 115.58 113.79 2wri h ASN 37 Ca 0.72 -0.09 0.26 0.00 1.87 0.00 0.00 56.30 59.06 2wri h ASN 37 Cb 3.12 0.13 -0.14 0.00 0.27 0.00 0.00 38.32 41.70 2wri h ASN 37 CO -0.01 -0.08 0.41 0.25 -0.37 0.00 0.00 177.43 177.63 2wri h LEU 38 N -1.03 0.30 -0.58 0.34 5.85 -1.11 0.62 115.31 119.71 2wri h LEU 38 Ca -0.06 0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 2wri h LEU 38 Cb 0.55 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2wri h LEU 38 CO 0.10 -0.09 -0.43 0.00 -0.34 0.00 0.00 178.44 177.68 2wri h ALA 39 N 1.79 0.76 -0.51 1.25 0.00 -1.44 -2.48 119.26 118.62 2wri h ALA 39 Ca 0.62 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2wri h ALA 39 Cb 1.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2wri h ALA 39 CO -0.60 0.66 0.30 0.00 0.00 0.00 0.00 179.25 179.61 2wri h ALA 40 N 1.00 0.65 -2.66 0.00 0.00 -0.04 -2.63 119.26 115.58 2wri h ALA 40 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wri h ALA 40 Cb 0.96 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2wri h ALA 40 CO 0.09 0.15 0.00 0.54 0.00 0.00 0.00 179.25 180.03 2wri n ARG 41 N -4.67 0.00 -0.21 0.00 1.74 -0.55 -2.04 116.66 110.93 2wri n ARG 41 Ca 0.02 0.36 -0.01 0.00 -0.77 0.00 0.00 57.85 57.46 2wri n ARG 41 Cb 0.07 -1.06 0.02 0.00 -1.02 0.00 0.00 32.46 30.47 2wri n ARG 41 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wri n ILE 42 N -1.01 -0.29 -0.14 0.55 5.41 -0.96 0.13 119.36 123.04 2wri n ILE 42 Ca 0.00 1.28 -0.03 0.00 1.00 0.00 0.00 62.75 65.00 2wri n ILE 42 Cb 0.00 -1.69 0.04 0.00 -0.71 0.00 0.00 39.64 37.28 2wri n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 2wri h PHE 43 N 0.00 -0.11 -0.19 1.39 3.57 -1.28 -1.40 116.94 118.91 2wri h PHE 43 Ca 0.19 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2wri h PHE 43 Cb 0.32 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2wri h PHE 43 CO -0.48 -0.14 0.08 1.88 -2.23 0.00 0.00 178.31 177.42 2wri h TYR 44 N 0.07 0.29 -0.57 0.41 0.99 0.16 -1.81 116.97 116.51 2wri h TYR 44 Ca 0.23 -0.02 0.17 0.00 2.00 0.00 0.00 58.73 61.10 2wri h TYR 44 Cb 0.34 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 37.96 2wri h TYR 44 CO -0.34 0.32 0.41 -0.44 -0.00 0.00 0.00 178.16 178.12 2wri h ASP 45 N 0.17 0.00 0.35 3.88 3.45 -0.65 -0.24 116.42 123.38 2wri h ASP 45 Ca 0.06 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.51 2wri h ASP 45 Cb 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 2wri h ASP 45 CO -0.01 0.00 -0.17 0.00 -1.57 0.00 0.00 179.24 177.49 2wri h ALA 46 N 1.71 -0.47 -1.16 3.45 0.00 -0.45 -1.51 119.26 120.83 2wri h ALA 46 Ca 0.27 -0.19 0.37 0.00 0.00 0.00 0.00 54.91 55.36 2wri h ALA 46 Cb 1.09 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 2wri h ALA 46 CO -0.00 -0.55 0.72 0.00 0.00 0.00 0.00 179.25 179.42 2wri h LYS 48 N 0.21 0.38 0.00 0.00 1.57 -1.28 -2.01 116.57 115.45 2wri h LYS 48 Ca 0.75 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 2wri h LYS 48 Cb 2.09 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.41 2wri h LYS 48 CO -0.46 0.78 0.00 -0.89 -0.57 0.00 0.00 179.45 178.31 2wri n ILE 49 N -4.52 0.80 0.04 1.86 2.08 0.37 -0.48 119.36 119.51 2wri n ILE 49 Ca -0.06 0.20 0.04 0.00 0.56 0.00 0.00 62.75 63.49 2wri n ILE 49 Cb 0.39 -0.98 -0.07 0.00 -0.75 0.00 0.00 39.64 38.22 2wri n ILE 49 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2wri n ILE 50 N -1.35 0.92 0.08 1.39 2.08 0.11 -2.72 119.36 119.87 2wri n ILE 50 Ca 0.05 -0.64 -0.11 0.00 0.56 0.00 0.00 62.75 62.62 2wri n ILE 50 Cb 0.12 -0.54 -0.05 0.00 -0.75 0.00 0.00 39.64 38.42 2wri n ILE 50 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 2wri h GLN 51 N 0.00 0.22 0.00 0.38 1.08 -0.13 -2.92 115.11 113.74 2wri h GLN 51 Ca -0.12 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 2wri h GLN 51 Cb 1.39 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.91 2wri h GLN 51 CO 0.03 1.03 0.00 0.39 -0.95 0.00 0.00 178.83 179.33 2wri n GLU 52 N -3.62 0.00 -0.17 1.46 -0.58 -0.44 -4.27 120.64 113.03 2wri n GLU 52 Ca -0.05 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.65 2wri n GLU 52 Cb 0.86 -0.08 -0.04 0.00 -0.57 0.00 0.00 31.44 31.61 2wri n GLU 52 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wri n LYS 53 N 0.00 -0.18 -4.08 3.49 4.76 -1.10 -4.49 118.16 116.56 2wri n LYS 53 Ca 0.00 0.64 -0.24 0.00 -2.87 0.00 0.00 58.31 55.84 2wri n LYS 53 Cb 0.00 -0.94 -0.07 0.00 -1.84 0.00 0.00 35.03 32.18 2wri n LYS 53 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2wri s THR 54 N -5.01 2.61 -1.02 -0.18 -1.32 -1.10 -5.04 115.64 104.57 2wri s THR 54 Ca -0.05 -1.69 0.23 0.00 -1.21 0.00 0.00 61.69 58.97 2wri s THR 54 Cb 0.04 -2.97 -0.12 0.00 -1.51 0.00 0.00 72.50 67.94 2wri s THR 54 CO 0.25 -0.08 1.14 0.61 -2.21 0.00 0.00 174.62 174.32 2wri n GLY 55 N -1.21 -1.09 3.66 6.08 0.00 -1.26 -3.80 105.19 107.57 2wri n GLY 55 Ca -0.02 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 2wri n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wri n GLN 56 N -1.47 0.25 -2.44 1.61 1.13 -1.26 -4.93 117.38 110.26 2wri n GLN 56 Ca 0.05 0.15 -0.42 0.00 -1.94 0.00 0.00 57.00 54.85 2wri n GLN 56 Cb 0.33 -2.36 -0.03 0.00 0.11 0.00 0.00 30.24 28.29 2wri n GLN 56 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2wri s GLU 57 N -3.90 4.48 0.17 -1.09 8.01 -1.26 -4.56 118.70 120.54 2wri s GLU 57 Ca 0.73 1.77 -0.29 0.00 0.01 0.00 0.00 54.97 57.19 2wri s GLU 57 Cb -0.30 -3.31 -0.02 0.00 -4.31 0.00 0.00 34.13 26.18 2wri s GLU 57 CO 0.51 -0.15 1.54 -1.00 0.01 0.00 0.00 175.26 176.18 2wri h PRO 58 N 6.15 -0.05 -0.35 0.39 0.13 -1.88 -2.48 132.00 133.91 2wri h PRO 58 Ca -0.43 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.74 2wri h PRO 58 Cb 1.21 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 2wri h PRO 58 CO 0.78 -0.03 -0.32 1.25 -0.23 0.00 0.00 178.00 179.44 2wri h LEU 59 N -0.05 -1.12 -0.92 1.56 5.85 -1.94 -1.84 115.31 116.85 2wri h LEU 59 Ca 0.18 0.16 0.29 0.00 0.84 0.00 0.00 57.88 59.34 2wri h LEU 59 Cb 0.46 0.47 -0.17 0.00 0.37 0.00 0.00 40.66 41.80 2wri h LEU 59 CO -0.90 -0.20 0.14 1.17 -0.34 0.00 0.00 178.44 178.31 2wri n LYS 60 N -4.24 -0.07 0.36 1.25 3.00 -0.94 -0.47 118.16 117.05 2wri n LYS 60 Ca -0.01 1.35 -0.14 0.00 -0.00 0.00 0.00 58.31 59.50 2wri n LYS 60 Cb 0.18 -2.21 -0.07 0.00 0.00 0.00 0.00 35.03 32.93 2wri n LYS 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wri h VAL 61 N 0.00 0.00 0.00 3.15 2.07 -1.27 -2.04 116.25 118.16 2wri h VAL 61 Ca 0.61 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.93 2wri h VAL 61 Cb 1.38 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2wri h VAL 61 CO -0.82 0.00 0.00 0.33 0.02 0.00 0.00 177.57 177.10 2wri n PHE 62 N -5.09 0.00 -0.33 1.57 7.35 0.38 0.19 117.46 121.54 2wri n PHE 62 Ca -0.12 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.63 2wri n PHE 62 Cb 0.37 -0.10 0.13 0.00 0.35 0.00 0.00 39.48 40.23 2wri n PHE 62 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2wri n LYS 63 N -1.40 -0.08 0.20 -4.13 3.00 -0.68 0.52 118.16 115.59 2wri n LYS 63 Ca 0.00 1.42 -0.15 0.00 -0.00 0.00 0.00 58.31 59.58 2wri n LYS 63 Cb 0.00 -2.13 -0.07 0.00 0.00 0.00 0.00 35.03 32.83 2wri n LYS 63 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2wri h GLN 64 N 0.00 -0.55 0.31 1.64 5.75 0.25 -2.47 115.11 120.04 2wri h GLN 64 Ca 0.44 0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.98 2wri h GLN 64 Cb 0.69 0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.33 2wri h GLN 64 CO -0.94 -0.37 -0.47 0.00 -2.65 0.00 0.00 178.83 174.41 2wri h ALA 65 N 0.05 -1.05 -0.44 3.38 0.00 0.75 -1.07 119.26 120.88 2wri h ALA 65 Ca -0.02 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.87 2wri h ALA 65 Cb 0.51 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2wri h ALA 65 CO -0.02 -1.12 0.74 0.28 0.00 0.00 0.00 179.25 179.12 2wri h VAL 66 N -0.82 0.12 0.05 0.00 2.07 -0.66 0.17 116.25 117.19 2wri h VAL 66 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2wri h VAL 66 Cb 0.75 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2wri h VAL 66 CO -0.15 0.00 -0.02 -0.08 0.02 0.00 0.00 177.57 177.34 2wri h GLU 67 N 0.00 -0.07 0.00 1.57 4.57 -0.70 -3.23 114.58 116.72 2wri h GLU 67 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2wri h GLU 67 Cb 1.68 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.28 2wri h GLU 67 CO -0.00 0.42 0.00 0.09 -1.18 0.00 0.00 179.01 178.34 2wri n ASN 68 N -4.88 0.00 -0.00 1.04 3.02 0.04 -2.16 115.26 112.32 2wri n ASN 68 Ca -0.09 -0.18 0.11 0.00 -0.03 0.00 0.00 54.58 54.39 2wri n ASN 68 Cb 0.26 -0.16 -0.16 0.00 -0.61 0.00 0.00 39.78 39.11 2wri n ASN 68 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wri n VAL 69 N -1.16 0.05 -1.71 2.41 0.31 -1.19 -4.78 118.33 112.26 2wri n VAL 69 Ca 0.09 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.50 2wri n VAL 69 Cb 0.10 -0.02 -0.03 0.00 -0.91 0.00 0.00 33.84 32.97 2wri n VAL 69 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wri n LYS 70 N -2.29 2.65 -2.96 5.55 5.02 -0.92 -4.61 118.16 120.61 2wri n LYS 70 Ca -0.04 0.96 -0.37 0.00 -2.02 0.00 0.00 58.31 56.84 2wri n LYS 70 Cb 0.57 -2.79 -0.06 0.00 -0.02 0.00 0.00 35.03 32.72 2wri n LYS 70 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2wri s PRO 71 N 1.21 4.45 -0.04 1.97 0.04 -1.26 -5.00 135.00 136.37 2wri s PRO 71 Ca 0.76 1.10 -0.19 0.00 0.04 0.00 0.00 61.00 62.71 2wri s PRO 71 Cb -0.54 -2.96 -0.13 0.00 0.04 0.00 0.00 34.50 30.91 2wri s PRO 71 CO 0.34 0.41 0.80 -0.09 0.04 0.00 0.00 177.00 178.49 2wri h ARG 72 N 3.59 -0.34 -4.27 4.56 9.65 -1.92 -3.45 114.38 122.20 2wri h ARG 72 Ca -0.47 0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 58.28 2wri h ARG 72 Cb 1.20 0.08 -0.15 0.00 -1.39 0.00 0.00 29.97 29.71 2wri h ARG 72 CO 0.65 -0.02 -0.59 -1.64 2.80 0.00 0.00 179.97 181.17 2wri s MET 73 N -3.46 0.87 0.20 0.20 -1.94 -1.26 -3.14 119.30 110.77 2wri s MET 73 Ca -0.11 -1.32 0.03 0.00 -1.71 0.00 0.00 55.69 52.59 2wri s MET 73 Cb 0.01 0.26 -0.01 0.00 2.01 0.00 0.00 34.83 37.09 2wri s MET 73 CO 0.39 -0.25 0.12 -0.85 -0.01 0.00 0.00 175.02 174.42 2wri n GLU 74 N -0.06 0.43 -4.63 2.03 0.28 -1.23 -4.39 120.64 113.07 2wri n GLU 74 Ca -0.08 -1.82 -0.33 0.00 -0.16 0.00 0.00 57.16 54.77 2wri n GLU 74 Cb 0.63 1.28 -0.14 0.00 1.43 0.00 0.00 31.44 34.64 2wri n GLU 74 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2wri s VAL 75 N -2.58 3.08 0.02 3.84 1.01 -1.26 -1.18 120.40 123.33 2wri s VAL 75 Ca 0.17 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.55 2wri s VAL 75 Cb 0.01 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 2wri s VAL 75 CO 0.12 0.51 -0.13 -0.13 0.00 0.00 0.00 175.10 175.48 2wri s ARG 76 N 0.52 0.91 0.64 2.72 0.52 0.12 -4.93 118.95 119.46 2wri s ARG 76 Ca -0.08 -0.60 -0.15 0.00 -0.52 0.00 0.00 55.73 54.37 2wri s ARG 76 Cb -0.16 -0.89 -0.01 0.00 0.52 0.00 0.00 34.95 34.42 2wri s ARG 76 CO 0.04 0.23 1.11 -1.12 0.02 0.00 0.00 175.30 175.58 2wri s SER 77 N -0.77 5.19 0.04 0.23 0.01 -1.26 0.01 113.70 117.16 2wri s SER 77 Ca 0.02 2.01 0.03 0.00 1.31 0.00 0.00 55.95 59.33 2wri s SER 77 Cb -0.06 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 2wri s SER 77 CO 0.00 -1.57 -0.10 -0.60 0.41 0.00 0.00 173.24 171.38 2wri s ARG 78 N -4.01 0.67 0.12 12.44 6.06 -0.35 -4.80 118.95 129.09 2wri s ARG 78 Ca 0.67 -0.74 -0.20 0.00 -2.50 0.00 0.00 55.73 52.96 2wri s ARG 78 Cb -0.21 -0.57 -0.07 0.00 0.06 0.00 0.00 34.95 34.16 2wri s ARG 78 CO 0.40 0.13 0.63 0.50 -2.50 0.00 0.00 175.30 174.45 2wri s ARG 79 N -1.37 4.24 0.28 5.12 3.00 -1.26 -3.95 118.95 125.02 2wri s ARG 79 Ca -0.04 0.80 0.00 0.00 -1.00 0.00 0.00 55.73 55.49 2wri s ARG 79 Cb -0.09 -3.14 0.00 0.00 0.00 0.00 0.00 34.95 31.72 2wri s ARG 79 CO 0.01 0.57 0.00 1.33 0.00 0.00 0.00 175.30 177.21 2wri n VAL 80 N 1.41 0.00 -0.94 7.11 0.24 -1.26 -5.07 118.33 119.81 2wri n VAL 80 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2wri n VAL 80 Cb 0.51 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 2wri n VAL 80 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wri n GLY 81 N -1.10 -0.71 3.20 7.63 0.00 -1.26 -4.99 105.19 107.97 2wri n GLY 81 Ca 0.00 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 2wri n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wri n GLY 82 N 0.00 1.68 3.62 -0.02 0.00 -1.26 -4.64 105.19 104.57 2wri n GLY 82 Ca 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 46.02 45.04 2wri n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wri s ALA 83 N 5.66 -2.06 -0.90 4.61 0.00 -1.26 -5.10 121.76 122.71 2wri s ALA 83 Ca 0.54 2.34 -0.18 0.00 0.00 0.00 0.00 51.96 54.66 2wri s ALA 83 Cb 0.13 -1.65 0.14 0.00 0.00 0.00 0.00 23.12 21.74 2wri s ALA 83 CO 0.18 -0.63 1.07 -0.80 0.00 0.00 0.00 175.76 175.59 2wri s ASN 84 N 2.14 6.62 -0.50 0.00 0.02 -1.26 -4.60 114.94 117.37 2wri s ASN 84 Ca -0.08 -2.08 -0.21 0.00 -1.02 0.00 0.00 52.86 49.47 2wri s ASN 84 Cb -0.07 -2.38 0.04 0.00 0.02 0.00 0.00 41.25 38.86 2wri s ASN 84 CO -0.19 -1.02 0.74 -0.31 0.02 0.00 0.00 177.10 176.35 2wri s TYR 85 N 2.43 2.97 -0.87 2.20 4.12 -1.25 -4.97 117.35 121.97 2wri s TYR 85 Ca 0.30 -0.20 -0.25 0.00 0.02 0.00 0.00 57.07 56.94 2wri s TYR 85 Cb -0.06 -3.67 0.04 0.00 -1.52 0.00 0.00 41.96 36.75 2wri s TYR 85 CO -0.09 -1.09 1.37 -0.65 0.02 0.00 0.00 175.55 175.11 2wri s GLN 86 N 3.14 3.37 0.06 -0.62 -0.21 -1.26 -1.21 119.66 122.93 2wri s GLN 86 Ca 0.23 -0.65 -0.24 0.00 0.02 0.00 0.00 55.36 54.72 2wri s GLN 86 Cb -0.15 -4.74 -0.06 0.00 1.00 0.00 0.00 33.01 29.06 2wri s GLN 86 CO 0.17 -2.19 0.74 0.08 -2.12 0.00 0.00 175.29 171.97 2wri s VAL 87 N 5.42 4.69 -0.23 1.09 1.01 0.10 -4.81 120.40 127.67 2wri s VAL 87 Ca 0.40 1.58 -0.20 0.00 0.00 0.00 0.00 61.98 63.76 2wri s VAL 87 Cb -0.04 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2wri s VAL 87 CO 0.03 0.41 0.62 -2.16 0.00 0.00 0.00 175.10 174.00 2wri s PRO 88 N -0.31 4.15 -0.19 2.72 0.04 -1.26 0.15 135.00 140.29 2wri s PRO 88 Ca 0.37 0.55 -0.09 0.00 0.04 0.00 0.00 61.00 61.86 2wri s PRO 88 Cb -0.21 -3.62 0.07 0.00 0.04 0.00 0.00 34.50 30.79 2wri s PRO 88 CO 0.23 -0.33 0.45 0.00 0.04 0.00 0.00 177.00 177.38 2wri s MET 89 N 2.22 0.41 0.03 4.56 0.23 -0.33 -4.94 119.30 121.49 2wri s MET 89 Ca 0.27 0.90 -0.03 0.00 -1.03 0.00 0.00 55.69 55.80 2wri s MET 89 Cb -0.16 0.09 -0.02 0.00 -1.53 0.00 0.00 34.83 33.21 2wri s MET 89 CO 0.09 -0.18 0.03 0.39 -2.03 0.00 0.00 175.02 173.32 2wri n GLU 90 N 4.54 0.00 -2.23 3.16 1.02 -1.26 -3.57 120.64 122.30 2wri n GLU 90 Ca -0.20 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.68 2wri n GLU 90 Cb 0.54 -0.10 0.05 0.00 -0.02 0.00 0.00 31.44 31.91 2wri n GLU 90 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wri s VAL 91 N -0.14 2.90 -0.15 2.62 1.01 -1.19 -4.74 120.40 120.72 2wri s VAL 91 Ca 0.06 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 2wri s VAL 91 Cb -0.08 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2wri s VAL 91 CO 0.06 -0.24 0.42 -0.55 0.00 0.00 0.00 175.10 174.79 2wri s SER 92 N -4.42 6.58 0.28 3.32 0.15 -1.26 -4.96 113.70 113.38 2wri s SER 92 Ca 0.58 0.68 -0.05 0.00 0.70 0.00 0.00 55.95 57.86 2wri s SER 92 Cb -0.11 -2.25 0.53 0.00 -1.71 0.00 0.00 66.02 62.48 2wri s SER 92 CO 0.46 0.00 1.52 -0.81 1.20 0.00 0.00 173.24 175.61 2wri n PRO 93 N 3.85 -0.09 0.24 5.44 -0.04 -1.26 -0.53 135.00 142.61 2wri n PRO 93 Ca -0.08 1.51 -0.16 0.00 -0.04 0.00 0.00 63.50 64.72 2wri n PRO 93 Cb 0.51 -2.29 -0.09 0.00 -0.04 0.00 0.00 33.50 31.60 2wri n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wri h ARG 94 N 0.00 -0.84 -0.88 0.54 3.08 -2.03 -3.04 114.38 111.22 2wri h ARG 94 Ca 0.50 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.76 2wri h ARG 94 Cb 0.84 0.19 -0.09 0.00 0.08 0.00 0.00 29.97 30.99 2wri h ARG 94 CO -0.98 -0.56 0.47 -0.09 -1.07 0.00 0.00 179.97 177.74 2wri h ARG 95 N -0.87 0.65 -0.96 0.04 2.43 -1.21 -1.92 114.38 112.54 2wri h ARG 95 Ca -0.05 -0.04 0.25 0.00 -0.81 0.00 0.00 59.98 59.33 2wri h ARG 95 Cb 0.76 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 2wri h ARG 95 CO -0.08 0.43 0.65 1.96 -1.51 0.00 0.00 179.97 181.43 2wri h GLN 96 N 0.67 0.23 0.17 0.20 4.20 -0.92 -0.49 115.11 119.16 2wri h GLN 96 Ca 0.48 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.17 2wri h GLN 96 Cb 0.66 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2wri h GLN 96 CO -0.36 0.15 -0.08 0.37 -0.67 0.00 0.00 178.83 178.24 2wri h GLN 97 N 0.23 -0.22 -0.84 1.46 4.15 -1.42 -2.32 115.11 116.15 2wri h GLN 97 Ca 0.49 0.01 0.20 0.00 0.77 0.00 0.00 58.65 60.13 2wri h GLN 97 Cb 1.53 0.05 -0.16 0.00 0.21 0.00 0.00 27.48 29.11 2wri h GLN 97 CO -0.13 -0.08 -0.10 0.43 -1.93 0.00 0.00 178.83 177.02 2wri n SER 98 N -4.92 -0.21 0.36 -0.69 7.64 -0.77 -0.66 113.62 114.37 2wri n SER 98 Ca -0.04 1.44 -0.16 0.00 1.01 0.00 0.00 58.87 61.13 2wri n SER 98 Cb 0.12 -0.48 -0.08 0.00 -1.01 0.00 0.00 64.21 62.77 2wri n SER 98 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2wri h LEU 99 N 0.00 -0.79 -0.27 -3.43 3.38 -1.18 -0.36 115.31 112.65 2wri h LEU 99 Ca 0.46 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.49 2wri h LEU 99 Cb 0.82 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 2wri h LEU 99 CO -0.83 -0.44 -0.20 0.00 0.09 0.00 0.00 178.44 177.06 2wri h ALA 100 N -1.04 -0.03 -0.13 1.53 0.00 -0.40 0.13 119.26 119.32 2wri h ALA 100 Ca -0.10 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2wri h ALA 100 Cb 0.74 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2wri h ALA 100 CO 0.16 -0.61 -0.04 -0.07 0.00 0.00 0.00 179.25 178.69 2wri h LEU 101 N -0.18 -0.14 0.01 0.00 3.38 -0.94 0.52 115.31 117.96 2wri h LEU 101 Ca 0.15 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.19 2wri h LEU 101 Cb 0.41 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2wri h LEU 101 CO -0.38 -0.05 -0.38 -0.09 0.09 0.00 0.00 178.44 177.63 2wri h ARG 102 N -0.01 -0.52 -0.80 1.13 2.43 -0.06 -0.91 114.38 115.63 2wri h ARG 102 Ca 0.07 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2wri h ARG 102 Cb 0.11 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 2wri h ARG 102 CO -0.14 -0.35 0.49 -1.49 -1.51 0.00 0.00 179.97 176.97 2wri h TRP 103 N -0.54 1.04 -0.12 2.20 6.55 -0.68 -0.55 115.95 123.85 2wri h TRP 103 Ca 0.05 0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.91 2wri h TRP 103 Cb 0.62 -0.34 -0.03 0.00 -0.86 0.00 0.00 29.16 28.55 2wri h TRP 103 CO -0.38 0.69 -0.19 -0.07 -1.05 0.00 0.00 178.44 177.43 2wri h LEU 104 N 1.09 -0.64 -0.34 -4.49 -0.00 -0.06 0.69 115.31 111.57 2wri h LEU 104 Ca 0.29 0.08 0.06 0.00 -0.00 0.00 0.00 57.88 58.31 2wri h LEU 104 Cb -0.06 0.26 -0.08 0.00 -0.00 0.00 0.00 40.66 40.78 2wri h LEU 104 CO -0.06 -0.15 -0.45 0.58 -0.00 0.00 0.00 178.44 178.37 2wri h VAL 105 N -0.16 0.10 -0.87 1.22 2.07 -0.93 -0.77 116.25 116.92 2wri h VAL 105 Ca 0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.63 2wri h VAL 105 Cb 0.22 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.01 2wri h VAL 105 CO -0.19 0.00 0.52 1.56 0.02 0.00 0.00 177.57 179.48 2wri h GLN 106 N -0.38 0.85 -0.19 1.57 4.20 -0.35 -1.01 115.11 119.79 2wri h GLN 106 Ca 0.11 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 2wri h GLN 106 Cb 0.60 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2wri h GLN 106 CO -0.53 0.57 -0.05 0.00 -0.67 0.00 0.00 178.83 178.14 2wri h ALA 107 N 1.46 0.26 -0.36 3.87 0.00 0.82 -2.91 119.26 122.40 2wri h ALA 107 Ca 0.41 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.14 2wri h ALA 107 Cb 0.34 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 2wri h ALA 107 CO -0.23 0.04 -0.42 0.00 0.00 0.00 0.00 179.25 178.64 2wri h ALA 108 N 0.73 -0.44 0.00 0.00 0.00 -0.46 0.32 119.26 119.41 2wri h ALA 108 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wri h ALA 108 Cb 0.49 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2wri h ALA 108 CO 0.02 -0.87 0.00 0.09 0.00 0.00 0.00 179.25 178.49 2wri n ASN 109 N -5.42 0.00 0.08 0.00 3.02 -0.45 -0.90 115.26 111.59 2wri n ASN 109 Ca -0.01 0.46 0.05 0.00 -0.03 0.00 0.00 54.58 55.05 2wri n ASN 109 Cb 0.35 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 2wri n ASN 109 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2wri h GLN 110 N 0.00 0.00 -6.59 3.52 4.20 -0.17 -3.47 115.11 112.60 2wri h GLN 110 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 2wri h GLN 110 Cb 0.09 0.00 0.21 0.00 0.30 0.00 0.00 27.48 28.08 2wri h GLN 110 CO 0.00 0.19 -0.68 0.54 -0.67 0.00 0.00 178.83 178.21 2wri n ARG 111 N -2.87 -2.29 0.00 1.46 1.74 -0.08 -4.98 116.66 109.65 2wri n ARG 111 Ca -0.04 -0.66 0.10 0.00 -0.77 0.00 0.00 57.85 56.48 2wri n ARG 111 Cb 0.70 -1.71 -0.10 0.00 -1.02 0.00 0.00 32.46 30.33 2wri n ARG 111 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2wri n PRO 112 N -2.75 0.16 -1.71 5.56 -0.04 -1.26 -4.98 135.00 129.98 2wri n PRO 112 Ca 0.03 -0.04 -0.43 0.00 -0.04 0.00 0.00 63.50 63.02 2wri n PRO 112 Cb 0.55 -1.51 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 2wri n PRO 112 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wri n GLU 113 N -1.70 2.47 0.00 0.54 -0.58 -1.26 -4.94 120.64 115.18 2wri n GLU 113 Ca 0.02 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 57.65 2wri n GLU 113 Cb 0.39 -2.64 0.00 0.00 -0.57 0.00 0.00 31.44 28.62 2wri n GLU 113 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wri n ARG 114 N 2.52 0.00 -2.30 3.49 1.74 -1.26 -4.70 116.66 116.15 2wri n ARG 114 Ca 0.11 0.53 -0.34 0.00 -0.77 0.00 0.00 57.85 57.38 2wri n ARG 114 Cb 0.34 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 2wri n ARG 114 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wri s ARG 115 N -2.78 3.46 0.03 5.56 0.52 -1.26 -5.00 118.95 119.47 2wri s ARG 115 Ca 0.00 1.49 -0.24 0.00 -0.52 0.00 0.00 55.73 56.46 2wri s ARG 115 Cb 0.00 -2.03 -0.13 0.00 0.52 0.00 0.00 34.95 33.30 2wri s ARG 115 CO 0.00 -0.74 1.20 0.00 0.02 0.00 0.00 175.30 175.78 2wri h ALA 116 N 1.19 -1.07 0.00 2.13 0.00 -2.00 -3.15 119.26 116.34 2wri h ALA 116 Ca -0.49 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2wri h ALA 116 Cb 1.24 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2wri h ALA 116 CO 0.57 -1.01 0.38 0.00 0.00 0.00 0.00 179.25 179.19 2wri h ALA 117 N -1.48 1.31 0.00 0.00 0.00 -1.95 0.34 119.26 117.48 2wri h ALA 117 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wri h ALA 117 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2wri h ALA 117 CO 0.15 -0.31 -0.02 0.28 0.00 0.00 0.00 179.25 179.35 2wri h VAL 118 N 0.00 1.70 -0.20 0.00 2.07 -1.90 -2.38 116.25 115.54 2wri h VAL 118 Ca 0.00 -2.08 0.04 0.00 0.82 0.00 0.00 66.70 65.47 2wri h VAL 118 Cb 0.76 3.12 -0.04 0.00 -1.52 0.00 0.00 31.29 33.61 2wri h VAL 118 CO 0.00 0.54 -0.04 0.03 0.02 0.00 0.00 177.57 178.12 2wri h ARG 119 N -0.87 0.01 -0.36 1.57 3.08 -0.38 0.39 114.38 117.83 2wri h ARG 119 Ca -0.00 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.10 2wri h ARG 119 Cb 0.90 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.90 2wri h ARG 119 CO 0.00 0.01 0.06 0.82 -1.07 0.00 0.00 179.97 179.79 2wri h ILE 120 N 0.01 0.80 0.04 2.04 1.08 -1.35 0.55 117.51 120.68 2wri h ILE 120 Ca 0.09 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.52 2wri h ILE 120 Cb 0.14 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 2wri h ILE 120 CO -0.19 0.03 -0.46 0.00 -0.69 0.00 0.00 178.15 176.84 2wri h ALA 121 N 1.28 -0.91 0.36 1.87 0.00 -0.78 -0.23 119.26 120.85 2wri h ALA 121 Ca 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2wri h ALA 121 Cb 0.21 0.87 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2wri h ALA 121 CO -0.24 -1.03 -0.17 0.45 0.00 0.00 0.00 179.25 178.25 2wri h HIS 122 N -0.60 -0.45 -0.59 0.00 3.86 -0.37 -1.33 115.15 115.68 2wri h HIS 122 Ca 0.00 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.37 2wri h HIS 122 Cb 0.63 0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 2wri h HIS 122 CO -0.47 -0.25 0.46 1.49 0.86 0.00 0.00 177.93 180.02 2wri h GLU 123 N -0.53 0.00 0.02 2.45 4.57 0.15 0.13 114.58 121.38 2wri h GLU 123 Ca -0.05 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.92 2wri h GLU 123 Cb 0.40 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2wri h GLU 123 CO 0.08 0.00 -0.95 -0.07 -1.18 0.00 0.00 179.01 176.89 2wri h LEU 124 N 0.00 0.32 -0.04 1.64 3.38 -0.35 -2.90 115.31 117.36 2wri h LEU 124 Ca 0.28 -0.28 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 2wri h LEU 124 Cb 1.21 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.87 2wri h LEU 124 CO -0.00 1.10 -0.87 0.24 0.09 0.00 0.00 178.44 179.01 2wri h MET 125 N 0.12 0.66 -0.39 1.13 2.86 0.33 -3.15 114.93 116.49 2wri h MET 125 Ca -0.06 -0.65 -0.05 0.00 -2.06 0.00 0.00 59.70 56.87 2wri h MET 125 Cb 1.60 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 33.42 2wri h MET 125 CO 0.15 1.25 0.03 -0.44 1.06 0.00 0.00 176.91 178.97 2wri h ASP 126 N 0.31 0.64 0.39 1.22 3.45 -1.40 -2.37 116.42 118.67 2wri h ASP 126 Ca -0.10 -0.28 -0.01 0.00 0.43 0.00 0.00 57.03 57.07 2wri h ASP 126 Cb 1.52 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 40.09 2wri h ASP 126 CO 0.17 0.77 -0.52 0.00 -1.57 0.00 0.00 179.24 178.09 2wri h ALA 127 N 0.90 -1.11 -0.73 3.45 0.00 -1.58 1.50 119.26 121.69 2wri h ALA 127 Ca 0.11 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.96 2wri h ALA 127 Cb 0.42 0.79 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 2wri h ALA 127 CO 0.01 -1.17 0.34 0.00 0.00 0.00 0.00 179.25 178.43 2wri h ALA 128 N -0.80 1.02 -0.68 0.00 0.00 -1.59 0.10 119.26 117.30 2wri h ALA 128 Ca -0.05 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2wri h ALA 128 Cb 0.85 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2wri h ALA 128 CO -0.13 -0.10 0.29 1.49 0.00 0.00 0.00 179.25 180.80 2wri h GLU 129 N 0.56 1.01 0.00 0.00 4.81 -0.90 -3.45 114.58 116.61 2wri h GLU 129 Ca 0.37 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2wri h GLU 129 Cb 0.46 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2wri h GLU 129 CO -0.31 0.83 0.00 0.41 -0.73 0.00 0.00 179.01 179.21 2wri n GLY 130 N -0.88 0.86 0.42 1.92 0.00 0.50 -5.07 105.19 102.95 2wri n GLY 130 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 2wri n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wri n LYS 131 N 0.00 0.00 -1.72 1.61 2.85 -0.11 -4.98 118.16 115.80 2wri n LYS 131 Ca 0.00 -0.07 -0.31 0.00 -1.05 0.00 0.00 58.31 56.88 2wri n LYS 131 Cb 0.00 0.05 0.04 0.00 -0.65 0.00 0.00 35.03 34.47 2wri n LYS 131 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2wri s GLY 132 N -0.07 1.65 0.59 2.58 0.00 -1.24 -4.86 107.32 105.97 2wri s GLY 132 Ca 0.00 -0.07 0.29 0.00 0.00 0.00 0.00 44.72 44.93 2wri s GLY 132 CO 0.00 0.24 2.01 -1.33 0.00 0.00 0.00 173.10 174.02 2wri h GLY 133 N -0.60 0.00 0.24 0.20 0.00 -1.93 -1.89 103.07 99.09 2wri h GLY 133 Ca -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2wri h GLY 133 CO 0.60 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 177.02 2wri h ALA 134 N 1.63 -0.76 -1.37 3.60 0.00 -1.90 -3.05 119.26 117.40 2wri h ALA 134 Ca 0.13 -0.07 0.47 0.00 0.00 0.00 0.00 54.91 55.44 2wri h ALA 134 Cb 0.76 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 2wri h ALA 134 CO -0.00 -0.74 0.89 0.28 0.00 0.00 0.00 179.25 179.68 2wri n VAL 135 N -3.18 -0.23 -0.00 0.00 0.31 -0.74 0.26 118.33 114.75 2wri n VAL 135 Ca -0.04 1.72 0.06 0.00 -0.01 0.00 0.00 64.34 66.08 2wri n VAL 135 Cb 0.13 -2.83 0.46 0.00 -0.91 0.00 0.00 33.84 30.69 2wri n VAL 135 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2wri h LYS 136 N 0.00 0.47 0.53 5.55 1.79 -1.38 0.21 116.57 123.74 2wri h LYS 136 Ca 0.85 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 59.27 2wri h LYS 136 Cb 2.80 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 33.35 2wri h LYS 136 CO -0.42 0.31 -0.25 0.87 -1.08 0.00 0.00 179.45 178.87 2wri h LYS 137 N 0.48 -0.68 -0.58 3.15 1.79 0.36 -2.08 116.57 119.01 2wri h LYS 137 Ca 0.17 0.05 0.12 0.00 -2.18 0.00 0.00 60.65 58.80 2wri h LYS 137 Cb 0.09 0.16 -0.11 0.00 -1.58 0.00 0.00 32.23 30.78 2wri h LYS 137 CO -0.04 -0.40 -0.20 -0.22 -1.08 0.00 0.00 179.45 177.51 2wri h LYS 138 N -1.11 -0.06 -0.58 3.15 3.64 -1.18 0.27 116.57 120.70 2wri h LYS 138 Ca -0.07 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.42 2wri h LYS 138 Cb 0.60 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.34 2wri h LYS 138 CO 0.12 -0.04 0.10 0.93 -2.27 0.00 0.00 179.45 178.30 2wri h GLU 139 N -0.06 0.22 0.51 1.90 5.08 -0.61 -0.43 114.58 121.19 2wri h GLU 139 Ca 0.27 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2wri h GLU 139 Cb 0.48 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2wri h GLU 139 CO -0.63 0.15 -0.24 0.22 -1.00 0.00 0.00 179.01 177.51 2wri h ASP 140 N 0.23 -0.58 -0.60 1.42 3.58 0.06 0.23 116.42 120.77 2wri h ASP 140 Ca 0.31 -0.04 0.17 0.00 0.42 0.00 0.00 57.03 57.89 2wri h ASP 140 Cb 0.46 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2wri h ASP 140 CO -0.41 -0.32 0.67 0.58 -2.88 0.00 0.00 179.24 176.88 2wri h VAL 141 N -0.81 0.26 0.11 2.25 2.07 -0.01 -0.63 116.25 119.50 2wri h VAL 141 Ca -0.07 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.08 2wri h VAL 141 Cb 0.58 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2wri h VAL 141 CO 0.11 0.00 -2.05 -0.62 0.02 0.00 0.00 177.57 175.03 2wri n GLU 142 N -3.58 0.75 -0.34 1.57 1.02 -0.23 -3.73 120.64 116.10 2wri n GLU 142 Ca 0.12 0.25 0.12 0.00 -0.02 0.00 0.00 57.16 57.63 2wri n GLU 142 Cb 0.88 -1.69 0.33 0.00 -0.02 0.00 0.00 31.44 30.94 2wri n GLU 142 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wri h ARG 143 N 0.06 0.75 -0.11 3.49 3.08 0.55 -1.43 114.38 120.77 2wri h ARG 143 Ca -0.44 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 59.61 2wri h ARG 143 Cb 2.02 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 31.84 2wri h ARG 143 CO 0.07 0.50 -0.32 0.52 -1.07 0.00 0.00 179.97 179.66 2wri h MET 144 N 0.78 -0.40 -7.32 0.04 2.86 -1.46 -2.31 114.93 107.12 2wri h MET 144 Ca 0.54 0.03 -0.49 0.00 -2.06 0.00 0.00 59.70 57.72 2wri h MET 144 Cb 0.83 0.09 0.15 0.00 0.06 0.00 0.00 31.60 32.73 2wri h MET 144 CO -0.32 -0.26 0.25 0.00 1.06 0.00 0.00 176.91 177.63 2wri s ALA 145 N -6.00 1.56 0.00 6.32 0.00 -0.54 -2.06 121.76 121.05 2wri s ALA 145 Ca -0.15 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2wri s ALA 145 Cb 0.10 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2wri s ALA 145 CO 0.66 -2.35 0.00 0.39 0.00 0.00 0.00 175.76 174.45 2wri n GLU 146 N -3.90 0.00 -0.28 0.00 -0.58 -1.26 -4.38 120.64 110.24 2wri n GLU 146 Ca 0.07 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.92 2wri n GLU 146 Cb 0.55 0.00 0.25 0.00 -0.57 0.00 0.00 31.44 31.67 2wri n GLU 146 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wri h ALA 147 N 0.00 1.22 -0.86 0.62 0.00 -1.10 0.67 119.26 119.82 2wri h ALA 147 Ca 0.00 0.18 -0.55 0.00 0.00 0.00 0.00 54.91 54.54 2wri h ALA 147 Cb 0.00 0.21 -0.29 0.00 0.00 0.00 0.00 17.79 17.71 2wri h ALA 147 CO 0.00 -0.36 0.38 0.09 0.00 0.00 0.00 179.25 179.36 2wri n ASN 148 N -5.12 5.64 0.00 0.00 3.02 -0.87 -4.50 115.26 113.42 2wri n ASN 148 Ca 0.19 -3.75 0.09 0.00 -0.03 0.00 0.00 54.58 51.08 2wri n ASN 148 Cb 0.58 -0.79 0.40 0.00 -0.61 0.00 0.00 39.78 39.37 2wri n ASN 148 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2wri n ARG 149 N -0.96 0.09 0.00 3.52 0.63 0.23 -3.57 116.66 116.60 2wri n ARG 149 Ca 0.55 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 2wri n ARG 149 Cb 0.97 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.38 2wri n ARG 149 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wri n ALA 150 N -1.43 -0.36 -1.00 5.13 0.00 -1.26 -2.83 120.51 118.77 2wri n ALA 150 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 2wri n ALA 150 Cb 0.19 0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 2wri n ALA 150 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wri n TYR 151 N -2.15 1.10 0.09 0.00 4.02 -1.23 -4.39 117.16 114.59 2wri n TYR 151 Ca 0.00 -2.05 -0.21 0.00 -0.01 0.00 0.00 57.90 55.63 2wri n TYR 151 Cb 0.00 -1.85 -0.15 0.00 -0.02 0.00 0.00 39.34 37.32 2wri n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wri h ALA 152 N 4.49 0.11 0.00 -0.72 0.00 -1.73 -3.33 119.26 118.09 2wri h ALA 152 Ca 0.48 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2wri h ALA 152 Cb 0.74 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2wri h ALA 152 CO 1.01 0.98 0.00 -2.39 0.00 0.00 0.00 179.25 178.86 2wri n HIS 153 N -3.58 0.00 1.27 0.00 1.44 -1.26 -1.52 115.22 111.57 2wri n HIS 153 Ca -0.20 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.64 2wri n HIS 153 Cb 1.07 -0.16 0.37 0.00 0.12 0.00 0.00 29.99 31.39 2wri n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2wri n TYR 154 N -1.16 0.00 -1.32 -1.40 0.53 -1.25 -4.98 117.16 107.58 2wri n TYR 154 Ca 0.00 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.48 2wri n TYR 154 Cb 0.00 -0.08 0.01 0.00 -1.03 0.00 0.00 39.34 38.24 2wri n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2wri n ARG 155 N -0.36 0.15 0.00 -0.72 1.74 -0.58 -5.03 116.66 111.86 2wri n ARG 155 Ca 0.13 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2wri n ARG 155 Cb 0.37 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 2wri n ARG 155 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44