#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pry n MET 3 N 0.00 0.68 -3.09 6.28 2.81 -1.26 -4.98 117.12 117.57 2pry n MET 3 Ca 0.00 -0.02 -0.39 0.00 -1.81 0.00 0.00 57.70 55.48 2pry n MET 3 Cb 0.00 -1.54 -0.05 0.00 -0.71 0.00 0.00 33.22 30.92 2pry n MET 3 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2pry s LEU 4 N -5.37 4.32 0.81 4.03 1.02 -1.26 -5.07 118.68 117.16 2pry s LEU 4 Ca -0.09 1.14 -0.11 0.00 0.02 0.00 0.00 54.13 55.09 2pry s LEU 4 Cb 0.08 -3.03 0.08 0.00 0.02 0.00 0.00 46.19 43.34 2pry s LEU 4 CO 0.84 -0.09 1.09 -1.61 0.02 0.00 0.00 176.35 176.60 2pry s GLU 5 N 0.73 1.96 0.29 1.70 0.41 -1.26 -4.87 118.70 117.66 2pry s GLU 5 Ca 0.36 0.99 0.02 0.00 -0.41 0.00 0.00 54.97 55.93 2pry s GLU 5 Cb -0.17 -1.88 0.45 0.00 -1.78 0.00 0.00 34.13 30.75 2pry s GLU 5 CO 0.17 -1.80 1.77 -0.44 -0.49 0.00 0.00 175.26 174.48 2pry h ASP 6 N -1.23 0.55 0.48 -0.19 3.32 -1.99 -2.20 116.42 115.16 2pry h ASP 6 Ca -0.46 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.35 2pry h ASP 6 Cb 1.25 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2pry h ASP 6 CO 0.53 0.71 -0.44 0.10 -1.72 0.00 0.00 179.24 178.42 2pry h TYR 7 N 0.52 0.00 -0.15 4.55 -0.00 -1.99 -1.35 116.97 118.56 2pry h TYR 7 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.68 2pry h TYR 7 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.25 2pry h TYR 7 CO 0.02 0.44 -0.45 1.96 -0.00 0.00 0.00 178.16 180.12 2pry h GLN 8 N 0.00 0.57 -0.41 0.10 4.20 -1.78 -1.36 115.11 116.44 2pry h GLN 8 Ca -0.00 -0.41 0.01 0.00 0.06 0.00 0.00 58.65 58.30 2pry h GLN 8 Cb 0.79 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 2pry h GLN 8 CO 0.06 1.03 0.26 0.87 -0.67 0.00 0.00 178.83 180.38 2pry h LYS 9 N 0.21 0.52 -0.48 1.46 1.57 -1.32 -1.85 116.57 116.68 2pry h LYS 9 Ca -0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2pry h LYS 9 Cb 1.08 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 2pry h LYS 9 CO 0.10 0.34 0.11 -0.91 -0.57 0.00 0.00 179.45 178.52 2pry h ASN 10 N 0.53 0.73 -0.33 0.86 2.35 -1.27 -1.97 115.58 116.49 2pry h ASN 10 Ca 0.15 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2pry h ASN 10 Cb -0.04 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2pry h ASN 10 CO -0.05 0.78 0.18 0.15 -1.65 0.00 0.00 177.43 176.84 2pry h PHE 11 N 0.65 0.34 -0.34 1.19 3.57 -1.16 -2.41 116.94 118.79 2pry h PHE 11 Ca 0.15 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 2pry h PHE 11 Cb 0.33 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2pry h PHE 11 CO 0.02 0.20 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.02 2pry h LEU 12 N 0.38 0.65 -0.38 0.59 4.07 -1.22 0.27 115.31 119.67 2pry h LEU 12 Ca 0.13 -0.22 -0.11 0.00 0.08 0.00 0.00 57.88 57.76 2pry h LEU 12 Cb 0.01 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.56 2pry h LEU 12 CO -0.07 0.86 -0.18 1.05 -1.08 0.00 0.00 178.44 179.02 2pry h GLU 13 N 0.58 0.79 -0.71 1.13 4.11 -1.25 -1.21 114.58 118.02 2pry h GLU 13 Ca 0.09 -0.35 -0.07 0.00 0.07 0.00 0.00 59.36 59.10 2pry h GLU 13 Cb 0.67 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2pry h GLU 13 CO 0.05 0.97 0.17 -0.07 0.07 0.00 0.00 179.01 180.20 2pry h LEU 14 N 0.59 1.08 -0.46 3.06 3.38 -1.26 -0.56 115.31 121.14 2pry h LEU 14 Ca 0.08 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2pry h LEU 14 Cb 0.73 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2pry h LEU 14 CO 0.06 1.03 0.24 0.00 0.09 0.00 0.00 178.44 179.86 2pry h ALA 15 N 1.09 0.58 -0.50 1.53 0.00 -0.24 -0.13 119.26 121.59 2pry h ALA 15 Ca 0.22 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 2pry h ALA 15 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2pry h ALA 15 CO 0.00 -0.09 -0.14 0.82 0.00 0.00 0.00 179.25 179.84 2pry h ILE 16 N 0.49 1.27 -0.75 0.00 2.04 -1.07 -1.15 117.51 118.33 2pry h ILE 16 Ca 0.20 -1.29 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 2pry h ILE 16 Cb 0.08 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2pry h ILE 16 CO -0.12 0.45 0.32 -0.33 0.00 0.00 0.00 178.15 178.46 2pry h GLU 17 N 0.83 1.11 -0.01 2.37 5.08 -0.63 -2.82 114.58 120.52 2pry h GLU 17 Ca 0.12 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2pry h GLU 17 Cb 0.71 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2pry h GLU 17 CO 0.05 0.90 -0.22 0.00 -1.00 0.00 0.00 179.01 178.74 2pry n GLN 19 N -0.77 -0.01 0.18 0.00 6.02 -0.96 -4.90 117.38 116.95 2pry n GLN 19 Ca 0.12 0.14 0.02 0.00 -0.01 0.00 0.00 57.00 57.28 2pry n GLN 19 Cb 0.33 -3.29 0.37 0.00 1.02 0.00 0.00 30.24 28.67 2pry n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pry h ALA 20 N 0.00 1.41 -3.10 -1.58 0.00 -1.46 -3.38 119.26 111.14 2pry h ALA 20 Ca -0.00 -0.32 -0.67 0.00 0.00 0.00 0.00 54.91 53.93 2pry h ALA 20 Cb 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 17.44 2pry h ALA 20 CO 0.00 0.44 -0.73 -1.17 0.00 0.00 0.00 179.25 177.79 2pry s LEU 21 N -8.27 3.05 0.14 0.00 2.96 -0.62 -0.36 118.68 115.57 2pry s LEU 21 Ca -0.03 -0.62 0.11 0.00 -0.22 0.00 0.00 54.13 53.37 2pry s LEU 21 Cb 0.15 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 2pry s LEU 21 CO 0.73 -0.08 -0.26 -0.13 -1.32 0.00 0.00 176.35 175.29 2pry s ARG 22 N 1.41 1.40 0.10 1.98 0.52 -0.32 -4.32 118.95 119.72 2pry s ARG 22 Ca 0.03 -1.37 0.10 0.00 -0.52 0.00 0.00 55.73 53.97 2pry s ARG 22 Cb -0.15 -1.83 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 2pry s ARG 22 CO -0.04 0.42 -0.25 -0.06 0.02 0.00 0.00 175.30 175.40 2pry s PHE 23 N -1.22 2.14 -5.00 -0.53 0.08 -1.26 -1.03 117.98 111.16 2pry s PHE 23 Ca 0.15 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.80 2pry s PHE 23 Cb -0.09 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.15 2pry s PHE 23 CO 0.07 0.24 0.00 0.41 -0.10 0.00 0.00 175.22 175.83 2pry n GLY 24 N 1.23 0.02 3.30 4.36 0.00 -0.92 -4.96 105.19 108.22 2pry n GLY 24 Ca -0.18 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 2pry n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pry s SER 25 N -4.00 4.46 -0.03 1.61 0.15 -1.26 -3.80 113.70 110.83 2pry s SER 25 Ca 0.00 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.17 2pry s SER 25 Cb 0.00 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 2pry s SER 25 CO 0.00 -0.06 -0.09 -0.36 1.20 0.00 0.00 173.24 173.93 2pry s PHE 26 N 1.47 0.97 -0.22 3.44 0.08 0.49 -4.96 117.98 119.25 2pry s PHE 26 Ca 0.05 -0.25 -0.15 0.00 0.12 0.00 0.00 56.93 56.70 2pry s PHE 26 Cb -0.15 -0.70 -0.04 0.00 -0.57 0.00 0.00 43.02 41.56 2pry s PHE 26 CO -0.02 -0.11 0.34 0.15 -0.10 0.00 0.00 175.22 175.48 2pry s LYS 27 N 0.23 4.12 1.03 0.44 -0.14 -1.26 0.16 119.74 124.33 2pry s LYS 27 Ca -0.04 0.07 -0.16 0.00 -1.36 0.00 0.00 55.97 54.49 2pry s LYS 27 Cb -0.09 -3.56 0.21 0.00 -1.68 0.00 0.00 37.83 32.71 2pry s LYS 27 CO 0.01 -0.06 1.17 -0.51 -0.76 0.00 0.00 175.35 175.19 2pry s LEU 28 N 1.40 1.67 0.32 3.17 1.43 0.19 -4.89 118.68 121.98 2pry s LEU 28 Ca 0.16 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 54.00 2pry s LEU 28 Cb -0.15 -2.75 0.62 0.00 0.03 0.00 0.00 46.19 43.95 2pry s LEU 28 CO 0.08 -3.20 1.91 0.11 0.23 0.00 0.00 176.35 175.48 2pry h LYS 29 N -1.95 0.89 0.00 1.70 1.57 -1.98 -1.51 116.57 115.29 2pry h LYS 29 Ca -0.48 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 2pry h LYS 29 Cb 1.30 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 2pry h LYS 29 CO 0.47 0.59 -0.06 0.66 -0.57 0.00 0.00 179.45 180.54 2pry h SER 30 N 0.92 0.00 0.00 0.86 4.64 -2.04 -3.46 113.55 114.48 2pry h SER 30 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2pry h SER 30 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2pry h SER 30 CO -0.15 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.48 2pry n GLY 31 N -0.48 1.61 3.78 -0.77 0.00 -0.57 -5.07 105.19 103.69 2pry n GLY 31 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2pry n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pry s ARG 32 N -0.73 4.07 -0.15 1.61 3.52 -1.26 -4.63 118.95 121.38 2pry s ARG 32 Ca 0.00 2.48 -0.18 0.00 -0.13 0.00 0.00 55.73 57.89 2pry s ARG 32 Cb 0.00 -2.92 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 2pry s ARG 32 CO 0.00 -0.53 0.49 -2.00 -0.81 0.00 0.00 175.30 172.45 2pry s GLU 33 N -2.12 4.28 -0.02 5.12 2.56 -1.26 -0.63 118.70 126.63 2pry s GLU 33 Ca 0.54 0.44 0.06 0.00 0.00 0.00 0.00 54.97 56.01 2pry s GLU 33 Cb -0.45 -3.48 -0.01 0.00 2.00 0.00 0.00 34.13 32.18 2pry s GLU 33 CO 0.60 0.04 -0.20 0.45 -0.56 0.00 0.00 175.26 175.59 2pry s SER 34 N 0.83 2.39 0.00 -1.70 0.15 0.42 -4.95 113.70 110.84 2pry s SER 34 Ca 0.25 -0.37 0.21 0.00 0.70 0.00 0.00 55.95 56.74 2pry s SER 34 Cb -0.15 -0.33 1.23 0.00 -1.71 0.00 0.00 66.02 65.06 2pry s SER 34 CO 0.10 0.24 1.79 -0.81 1.20 0.00 0.00 173.24 175.76 2pry n PRO 35 N 2.66 1.04 -3.75 5.44 -0.04 -1.26 -0.38 135.00 138.72 2pry n PRO 35 Ca -0.16 -0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.15 2pry n PRO 35 Cb 0.53 -1.33 -0.04 0.00 -0.04 0.00 0.00 33.50 32.62 2pry n PRO 35 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2pry s TYR 36 N -1.99 -0.11 -0.00 0.54 1.13 -1.25 -2.17 117.35 113.50 2pry s TYR 36 Ca 0.32 -0.24 0.01 0.00 -1.41 0.00 0.00 57.07 55.75 2pry s TYR 36 Cb 0.15 0.42 -0.00 0.00 -1.10 0.00 0.00 41.96 41.42 2pry s TYR 36 CO 0.25 -0.95 -0.04 0.12 -2.51 0.00 0.00 175.55 172.41 2pry s PHE 37 N -3.88 0.39 -0.05 -3.49 5.36 -0.20 -4.74 117.98 111.36 2pry s PHE 37 Ca 0.10 -0.09 0.01 0.00 -0.96 0.00 0.00 56.93 55.99 2pry s PHE 37 Cb -0.01 -0.25 0.02 0.00 -0.34 0.00 0.00 43.02 42.44 2pry s PHE 37 CO -0.01 -0.01 -0.06 0.12 -1.46 0.00 0.00 175.22 173.79 2pry s PHE 38 N -0.15 0.96 -0.20 10.12 2.19 -1.26 -1.17 117.98 128.47 2pry s PHE 38 Ca 0.01 -0.31 -0.04 0.00 0.33 0.00 0.00 56.93 56.91 2pry s PHE 38 Cb -0.02 -0.80 0.07 0.00 -1.31 0.00 0.00 43.02 40.96 2pry s PHE 38 CO -0.00 -0.23 0.09 1.21 1.83 0.00 0.00 175.22 178.11 2pry s ASN 39 N 0.94 2.67 0.48 6.13 2.47 0.51 -5.02 114.94 123.12 2pry s ASN 39 Ca -0.10 -0.78 0.25 0.00 0.42 0.00 0.00 52.86 52.64 2pry s ASN 39 Cb -0.15 -0.33 1.19 0.00 -1.45 0.00 0.00 41.25 40.51 2pry s ASN 39 CO 0.00 -0.36 1.96 0.25 -3.72 0.00 0.00 177.10 175.23 2pry h LEU 40 N 8.38 0.00 -1.92 3.21 5.85 -1.96 -2.88 115.31 125.99 2pry h LEU 40 Ca -0.16 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.78 2pry h LEU 40 Cb 1.12 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 2pry h LEU 40 CO 0.33 0.19 0.64 1.23 -0.34 0.00 0.00 178.44 180.48 2pry h GLY 41 N 1.29 0.00 1.74 3.75 0.00 -1.95 -0.20 103.07 107.70 2pry h GLY 41 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pry h GLY 41 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 2pry n LEU 42 N -3.97 0.00 -4.58 3.11 4.77 -1.09 -3.79 117.00 111.45 2pry n LEU 42 Ca 0.15 0.37 -0.39 0.00 -0.03 0.00 0.00 56.01 56.11 2pry n LEU 42 Cb 0.91 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 2pry n LEU 42 CO 0.34 -0.10 1.86 -0.36 -1.33 0.00 0.00 177.39 177.79 2pry s PHE 43 N -2.74 2.58 0.00 -1.77 0.08 -0.09 -4.71 117.98 111.33 2pry s PHE 43 Ca 0.17 -1.12 0.00 0.00 0.12 0.00 0.00 56.93 56.10 2pry s PHE 43 Cb 0.14 -4.58 0.00 0.00 -0.57 0.00 0.00 43.02 38.02 2pry s PHE 43 CO 0.35 -1.67 0.62 0.27 -0.10 0.00 0.00 175.22 174.70 2pry n ASN 44 N 9.84 1.22 -4.84 1.36 0.23 -1.25 -4.52 115.26 117.30 2pry n ASN 44 Ca 0.48 -1.29 -0.21 0.00 -0.53 0.00 0.00 54.58 53.02 2pry n ASN 44 Cb 0.46 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.12 2pry n ASN 44 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2pry s THR 45 N -0.29 2.94 0.23 5.53 -4.23 -1.26 -4.97 115.64 113.59 2pry s THR 45 Ca 0.00 -1.41 -0.07 0.00 -1.18 0.00 0.00 61.69 59.02 2pry s THR 45 Cb 0.00 -3.05 0.20 0.00 1.34 0.00 0.00 72.50 70.99 2pry s THR 45 CO 0.00 -0.07 1.87 1.23 -0.54 0.00 0.00 174.62 177.11 2pry h GLY 46 N 1.18 1.22 0.86 3.99 0.00 -1.98 0.16 103.07 108.50 2pry h GLY 46 Ca -0.43 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 2pry h GLY 46 CO 0.59 0.34 0.05 1.70 0.00 0.00 0.00 176.54 179.22 2pry h LYS 47 N 1.03 0.25 -0.55 4.80 3.64 -1.99 -0.35 116.57 123.41 2pry h LYS 47 Ca 0.34 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.56 2pry h LYS 47 Cb 0.03 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2pry h LYS 47 CO -0.12 0.37 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.28 2pry h LEU 48 N 0.09 1.01 -0.69 5.20 3.38 -1.85 -1.92 115.31 120.53 2pry h LEU 48 Ca 0.05 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 2pry h LEU 48 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2pry h LEU 48 CO -0.00 1.10 -0.07 -0.07 0.09 0.00 0.00 178.44 179.49 2pry h LEU 49 N 0.91 0.93 -0.02 1.67 3.38 -0.64 0.11 115.31 121.65 2pry h LEU 49 Ca 0.15 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2pry h LEU 49 Cb 0.64 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2pry h LEU 49 CO 0.04 1.03 -0.14 -1.28 0.09 0.00 0.00 178.44 178.18 2pry h SER 50 N 0.85 -0.42 -0.70 -0.43 0.87 -0.76 -0.16 113.55 112.80 2pry h SER 50 Ca 0.14 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2pry h SER 50 Cb 0.60 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 2pry h SER 50 CO 0.04 -0.20 0.21 0.78 -0.53 0.00 0.00 176.83 177.13 2pry h ASN 51 N -0.23 1.04 -0.62 6.23 2.35 -1.22 -1.94 115.58 121.20 2pry h ASN 51 Ca 0.05 -0.21 0.04 0.00 -0.55 0.00 0.00 56.30 55.63 2pry h ASN 51 Cb 0.30 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 2pry h ASN 51 CO -0.15 0.98 0.36 0.25 -1.65 0.00 0.00 177.43 177.21 2pry h LEU 52 N 1.04 0.55 -0.86 1.61 5.85 -0.81 -1.16 115.31 121.53 2pry h LEU 52 Ca 0.23 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 2pry h LEU 52 Cb 0.32 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2pry h LEU 52 CO -0.00 0.37 0.24 0.00 -0.34 0.00 0.00 178.44 178.71 2pry h ALA 53 N 1.30 1.08 -0.41 1.25 0.00 -0.84 -2.08 119.26 119.56 2pry h ALA 53 Ca 0.26 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2pry h ALA 53 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2pry h ALA 53 CO -0.14 0.63 -0.06 1.15 0.00 0.00 0.00 179.25 180.83 2pry h THR 54 N 1.04 1.27 -0.35 0.00 2.02 -1.04 -1.50 112.91 114.35 2pry h THR 54 Ca 0.23 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.27 2pry h THR 54 Cb 0.27 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2pry h THR 54 CO -0.01 0.38 0.14 0.00 0.37 0.00 0.00 175.52 176.40 2pry h ALA 55 N 0.86 0.46 -0.58 6.16 0.00 -1.01 -0.35 119.26 124.80 2pry h ALA 55 Ca 0.11 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2pry h ALA 55 Cb 0.57 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2pry h ALA 55 CO 0.03 0.05 0.38 1.88 0.00 0.00 0.00 179.25 181.59 2pry h TYR 56 N 0.42 0.71 -0.76 0.00 -1.99 -1.40 -2.75 116.97 111.19 2pry h TYR 56 Ca 0.12 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.81 2pry h TYR 56 Cb 0.18 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.64 2pry h TYR 56 CO -0.00 0.44 0.27 0.00 -0.00 0.00 0.00 178.16 178.86 2pry h ALA 57 N 1.22 1.00 -0.22 3.88 0.00 -0.79 -1.96 119.26 122.39 2pry h ALA 57 Ca 0.22 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2pry h ALA 57 Cb -0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 2pry h ALA 57 CO -0.06 0.66 -0.59 0.82 0.00 0.00 0.00 179.25 180.08 2pry h ILE 58 N 1.13 1.30 -0.70 0.00 2.04 -1.08 -1.43 117.51 118.77 2pry h ILE 58 Ca 0.25 -1.81 -0.00 0.00 1.00 0.00 0.00 64.86 64.30 2pry h ILE 58 Cb 0.27 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2pry h ILE 58 CO -0.01 0.58 0.43 0.00 0.00 0.00 0.00 178.15 179.14 2pry h ALA 59 N 0.79 1.44 -0.09 1.87 0.00 -1.16 -1.12 119.26 120.99 2pry h ALA 59 Ca 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 2pry h ALA 59 Cb 1.18 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.70 2pry h ALA 59 CO 0.12 0.49 -0.75 0.82 0.00 0.00 0.00 179.25 179.94 2pry h ILE 60 N 0.96 1.32 -0.49 0.00 2.04 -1.18 -2.44 117.51 117.72 2pry h ILE 60 Ca 0.25 -2.01 -0.06 0.00 1.00 0.00 0.00 64.86 64.05 2pry h ILE 60 Cb -0.05 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2pry h ILE 60 CO -0.05 0.62 0.09 0.40 0.00 0.00 0.00 178.15 179.21 2pry h ILE 61 N 0.33 1.25 0.00 -0.67 2.04 -1.02 -3.01 117.51 116.43 2pry h ILE 61 Ca -0.07 -0.91 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 2pry h ILE 61 Cb 1.40 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2pry h ILE 61 CO 0.15 0.33 -0.33 1.56 0.00 0.00 0.00 178.15 179.85 2pry h GLN 62 N 0.69 0.00 0.00 2.37 4.20 -1.21 -2.62 115.11 118.54 2pry h GLN 62 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2pry h GLN 62 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2pry h GLN 62 CO 0.01 0.33 0.00 0.66 -0.67 0.00 0.00 178.83 179.16 2pry h SER 63 N 0.00 0.00 0.00 1.46 4.64 -1.29 -3.47 113.55 114.89 2pry h SER 63 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pry h SER 63 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2pry h SER 63 CO 0.04 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.47 2pry n ASP 64 N -2.56 -2.75 -4.76 4.97 8.00 -0.99 -4.95 116.55 113.51 2pry n ASP 64 Ca 0.02 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 2pry n ASP 64 Cb 0.26 -2.35 -0.01 0.00 -0.02 0.00 0.00 41.12 39.00 2pry n ASP 64 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2pry n LEU 65 N 0.00 4.49 -4.50 0.64 7.94 -1.26 -4.98 117.00 119.33 2pry n LEU 65 Ca 0.00 1.20 -0.35 0.00 -1.11 0.00 0.00 56.01 55.75 2pry n LEU 65 Cb 0.20 -1.60 -0.12 0.00 0.53 0.00 0.00 43.42 42.43 2pry n LEU 65 CO 0.00 0.09 -0.30 -0.54 -1.11 0.00 0.00 177.39 175.53 2pry s LYS 66 N -1.46 3.73 0.23 1.96 1.02 -1.26 -5.01 119.74 118.95 2pry s LYS 66 Ca 0.58 -0.46 -0.20 0.00 0.02 0.00 0.00 55.97 55.91 2pry s LYS 66 Cb -0.49 -3.16 0.03 0.00 -0.52 0.00 0.00 37.83 33.69 2pry s LYS 66 CO 0.58 0.06 0.63 -0.59 -0.92 0.00 0.00 175.35 175.11 2pry s PHE 67 N 0.91 -0.18 -0.01 3.18 -0.71 -1.26 -4.92 117.98 114.99 2pry s PHE 67 Ca 0.02 -0.19 0.01 0.00 -1.04 0.00 0.00 56.93 55.73 2pry s PHE 67 Cb -0.14 0.56 -0.01 0.00 -1.21 0.00 0.00 43.02 42.21 2pry s PHE 67 CO 0.02 -1.07 0.01 -0.25 -1.34 0.00 0.00 175.22 172.59 2pry n ASP 68 N -0.41 4.75 -3.89 1.98 8.00 0.18 -4.96 116.55 122.20 2pry n ASP 68 Ca -0.08 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.25 2pry n ASP 68 Cb 0.61 0.57 -0.15 0.00 -0.02 0.00 0.00 41.12 42.12 2pry n ASP 68 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pry s VAL 69 N -2.03 0.35 -0.20 2.53 1.01 -0.90 -1.68 120.40 119.47 2pry s VAL 69 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 2pry s VAL 69 Cb 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 2pry s VAL 69 CO 0.04 0.15 0.12 -0.51 0.00 0.00 0.00 175.10 174.90 2pry s ILE 70 N 0.52 5.21 -0.09 2.22 2.07 -0.59 -0.62 121.20 129.92 2pry s ILE 70 Ca -0.06 0.12 0.04 0.00 -1.41 0.00 0.00 60.65 59.34 2pry s ILE 70 Cb -0.09 -3.38 0.00 0.00 0.13 0.00 0.00 42.46 39.12 2pry s ILE 70 CO -0.01 0.43 -0.21 0.12 -1.91 0.00 0.00 174.94 173.36 2pry s PHE 71 N 0.52 2.29 -0.21 3.50 2.19 0.15 -1.57 117.98 124.85 2pry s PHE 71 Ca 0.07 -0.92 0.02 0.00 0.33 0.00 0.00 56.93 56.42 2pry s PHE 71 Cb -0.12 -1.55 0.03 0.00 -1.31 0.00 0.00 43.02 40.07 2pry s PHE 71 CO -0.00 -0.38 -0.17 0.20 1.83 0.00 0.00 175.22 176.70 2pry s GLY 72 N 0.41 1.49 0.30 13.12 0.00 -0.77 -0.58 107.32 121.29 2pry s GLY 72 Ca -0.18 -1.42 -0.30 0.00 0.00 0.00 0.00 44.72 42.82 2pry s GLY 72 CO 0.08 0.40 1.60 -1.05 0.00 0.00 0.00 173.10 174.12 2pry n PRO 73 N 4.55 2.71 -1.79 2.90 -0.02 -1.26 -3.99 135.00 138.10 2pry n PRO 73 Ca -0.18 0.96 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 2pry n PRO 73 Cb 0.47 -2.75 -0.01 0.00 -0.02 0.00 0.00 33.50 31.20 2pry n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pry s ALA 74 N -0.03 3.66 -0.14 3.55 0.00 -1.26 -1.22 121.76 126.33 2pry s ALA 74 Ca 0.64 1.57 0.12 0.00 0.00 0.00 0.00 51.96 54.29 2pry s ALA 74 Cb -0.49 -3.63 -0.17 0.00 0.00 0.00 0.00 23.12 18.83 2pry s ALA 74 CO 0.49 -1.02 0.04 0.66 0.00 0.00 0.00 175.76 175.92 2pry n TYR 75 N 1.32 0.00 0.25 0.00 4.01 -1.26 -4.81 117.16 116.67 2pry n TYR 75 Ca 0.05 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.90 2pry n TYR 75 Cb 0.38 -0.68 0.68 0.00 -0.31 0.00 0.00 39.34 39.41 2pry n TYR 75 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2pry h LYS 76 N 0.00 0.00 0.00 -0.72 1.79 -1.95 -2.64 116.57 113.05 2pry h LYS 76 Ca -0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 2pry h LYS 76 Cb 1.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.49 2pry h LYS 76 CO 0.02 0.14 -0.28 0.41 -1.08 0.00 0.00 179.45 178.65 2pry n GLY 77 N -0.59 -1.38 0.12 3.86 0.00 -0.35 -4.08 105.19 102.76 2pry n GLY 77 Ca -0.02 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 2pry n GLY 77 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2pry h ILE 78 N 0.00 1.04 -0.06 -0.61 2.04 -1.57 -0.50 117.51 117.85 2pry h ILE 78 Ca 0.00 -0.85 -0.12 0.00 1.00 0.00 0.00 64.86 64.90 2pry h ILE 78 Cb 0.52 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 2pry h ILE 78 CO 0.00 0.20 -0.50 -0.65 0.00 0.00 0.00 178.15 177.20 2pry h PRO 79 N -0.59 0.16 -0.03 2.37 0.11 -1.76 -2.74 132.00 129.52 2pry h PRO 79 Ca -0.02 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 2pry h PRO 79 Cb 0.46 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 2pry h PRO 79 CO 0.03 0.63 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.37 2pry h LEU 80 N 0.13 0.06 -0.82 2.35 3.38 -1.70 -1.33 115.31 117.38 2pry h LEU 80 Ca 0.00 -0.39 0.12 0.00 0.09 0.00 0.00 57.88 57.70 2pry h LEU 80 Cb 0.93 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 2pry h LEU 80 CO 0.07 0.44 0.45 0.00 0.09 0.00 0.00 178.44 179.49 2pry h ALA 81 N 0.62 1.20 0.29 1.53 0.00 -1.10 -2.48 119.26 119.32 2pry h ALA 81 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pry h ALA 81 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2pry h ALA 81 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 179.12 2pry h ALA 82 N 1.50 -0.39 -0.01 0.00 0.00 -1.36 -1.38 119.26 117.62 2pry h ALA 82 Ca 0.42 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2pry h ALA 82 Cb 0.49 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2pry h ALA 82 CO -0.30 -0.55 -0.40 -0.84 0.00 0.00 0.00 179.25 177.16 2pry h ILE 83 N -0.73 1.29 0.10 0.00 3.07 -1.21 -2.58 117.51 117.45 2pry h ILE 83 Ca -0.04 -1.39 -0.26 0.00 1.55 0.00 0.00 64.86 64.71 2pry h ILE 83 Cb 0.49 1.74 0.01 0.00 -0.27 0.00 0.00 36.82 38.79 2pry h ILE 83 CO 0.07 0.40 -1.16 0.58 -1.05 0.00 0.00 178.15 176.99 2pry h VAL 84 N 0.01 1.44 -0.36 0.16 2.07 -1.49 -1.18 116.25 116.90 2pry h VAL 84 Ca -0.00 -2.81 0.02 0.00 0.82 0.00 0.00 66.70 64.73 2pry h VAL 84 Cb 0.72 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 2pry h VAL 84 CO 0.05 0.83 0.19 0.00 0.02 0.00 0.00 177.57 178.66 2pry h VAL 86 N 0.39 0.61 -0.74 0.00 2.07 -1.44 -2.98 116.25 114.16 2pry h VAL 86 Ca 0.15 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.68 2pry h VAL 86 Cb 0.04 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2pry h VAL 86 CO -0.09 0.00 0.49 0.11 0.02 0.00 0.00 177.57 178.09 2pry h LYS 87 N -0.33 0.97 -0.05 1.57 1.79 -0.81 -2.08 116.57 117.62 2pry h LYS 87 Ca 0.03 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 2pry h LYS 87 Cb 0.35 -0.22 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 2pry h LYS 87 CO -0.10 0.64 -0.29 -0.07 -1.08 0.00 0.00 179.45 178.55 2pry h LEU 88 N 1.00 -0.88 -1.78 2.94 3.38 -1.10 -0.16 115.31 118.70 2pry h LEU 88 Ca 0.27 0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.49 2pry h LEU 88 Cb -0.12 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2pry h LEU 88 CO -0.06 -0.35 0.40 0.00 0.09 0.00 0.00 178.44 178.52 2pry h ALA 89 N 0.40 2.23 0.03 1.53 0.00 -1.32 0.70 119.26 122.83 2pry h ALA 89 Ca 0.08 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 2pry h ALA 89 Cb 0.52 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2pry h ALA 89 CO -0.28 -0.38 -1.07 0.93 0.00 0.00 0.00 179.25 178.44 2pry h GLU 90 N 0.23 0.06 0.00 0.00 5.08 -0.40 -3.39 114.58 116.16 2pry h GLU 90 Ca 0.28 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2pry h GLU 90 Cb 0.77 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2pry h GLU 90 CO -0.05 1.03 0.00 0.44 -1.00 0.00 0.00 179.01 179.43 2pry n ILE 91 N -3.38 0.00 1.02 3.13 -5.35 -0.44 -4.78 119.36 109.56 2pry n ILE 91 Ca -0.02 -0.35 0.12 0.00 -0.27 0.00 0.00 62.75 62.23 2pry n ILE 91 Cb 0.96 1.10 0.19 0.00 -1.74 0.00 0.00 39.64 40.16 2pry n ILE 91 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pry n GLY 92 N 0.46 -1.12 4.71 3.28 0.00 0.24 -5.05 105.19 107.70 2pry n GLY 92 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2pry n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pry n GLY 93 N 1.48 -2.02 0.33 -0.02 0.00 -1.26 -4.48 105.19 99.22 2pry n GLY 93 Ca 0.06 -1.62 0.15 0.00 0.00 0.00 0.00 46.02 44.61 2pry n GLY 93 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pry h SER 94 N 0.00 0.00 0.76 1.61 4.64 -1.96 -2.49 113.55 116.12 2pry h SER 94 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2pry h SER 94 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2pry h SER 94 CO 0.00 0.00 -0.29 0.11 -0.87 0.00 0.00 176.83 175.78 2pry h LYS 95 N 0.00 0.00 -0.63 4.77 1.57 -1.98 -3.14 116.57 117.16 2pry h LYS 95 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2pry h LYS 95 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2pry h LYS 95 CO -0.00 0.29 0.00 1.19 -0.57 0.00 0.00 179.45 180.36 2pry n PHE 96 N -3.54 0.84 -0.26 -1.35 3.01 -0.94 -4.51 117.46 110.71 2pry n PHE 96 Ca -0.00 -0.49 -0.07 0.00 1.01 0.00 0.00 57.45 57.89 2pry n PHE 96 Cb 0.43 -0.01 0.05 0.00 -0.01 0.00 0.00 39.48 39.95 2pry n PHE 96 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2pry h GLN 97 N 3.73 1.11 -0.36 -1.08 1.08 -1.62 -3.23 115.11 114.74 2pry h GLN 97 Ca 0.00 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 2pry h GLN 97 Cb 0.93 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 2pry h GLN 97 CO 0.00 0.94 0.00 0.09 -0.95 0.00 0.00 178.83 178.91 2pry n ASN 98 N -4.29 3.99 -4.70 1.46 3.02 -1.26 -4.92 115.26 108.55 2pry n ASN 98 Ca 0.05 -2.72 -0.42 0.00 -0.03 0.00 0.00 54.58 51.47 2pry n ASN 98 Cb 0.22 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 2pry n ASN 98 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pry s ILE 99 N -2.30 3.21 0.46 2.41 1.01 -1.24 -5.01 121.20 119.73 2pry s ILE 99 Ca 0.40 0.78 -0.04 0.00 0.00 0.00 0.00 60.65 61.79 2pry s ILE 99 Cb 0.30 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 2pry s ILE 99 CO 0.13 0.03 0.74 -1.10 0.00 0.00 0.00 174.94 174.74 2pry s GLN 100 N 1.75 3.51 0.24 2.79 -1.52 -0.68 -4.97 119.66 120.79 2pry s GLN 100 Ca 0.68 0.07 0.09 0.00 -1.95 0.00 0.00 55.36 54.25 2pry s GLN 100 Cb -0.38 -2.43 -0.05 0.00 -0.22 0.00 0.00 33.01 29.93 2pry s GLN 100 CO 0.30 -0.15 -0.15 1.52 -0.25 0.00 0.00 175.29 176.56 2pry s TYR 101 N -2.66 1.97 0.13 0.91 -0.85 -1.26 -1.54 117.35 114.05 2pry s TYR 101 Ca 0.46 -0.49 -0.24 0.00 -0.52 0.00 0.00 57.07 56.27 2pry s TYR 101 Cb -0.10 -0.92 0.07 0.00 0.38 0.00 0.00 41.96 41.39 2pry s TYR 101 CO 0.43 0.49 0.67 0.00 -1.52 0.00 0.00 175.55 175.62 2pry s ALA 102 N -2.79 -1.62 0.03 9.51 0.00 -0.61 -4.63 121.76 121.64 2pry s ALA 102 Ca 0.26 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 2pry s ALA 102 Cb -0.02 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.89 2pry s ALA 102 CO 0.11 -0.77 0.06 1.97 0.00 0.00 0.00 175.76 177.12 2pry n PHE 103 N -0.36 -1.04 -4.28 0.00 1.16 -1.19 -1.84 117.46 109.92 2pry n PHE 103 Ca -0.14 -0.14 -0.17 0.00 -1.87 0.00 0.00 57.45 55.13 2pry n PHE 103 Cb 0.64 0.06 -0.15 0.00 -1.61 0.00 0.00 39.48 38.43 2pry n PHE 103 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2pry s ASN 104 N -1.15 0.87 0.00 5.98 4.22 -1.26 -1.89 114.94 121.72 2pry s ASN 104 Ca 0.01 -0.14 -0.30 0.00 -2.14 0.00 0.00 52.86 50.29 2pry s ASN 104 Cb -0.00 -0.09 -0.03 0.00 1.28 0.00 0.00 41.25 42.40 2pry s ASN 104 CO 0.01 0.09 1.01 -0.13 -2.04 0.00 0.00 177.10 176.04 2pry s ARG 105 N -0.20 4.53 -1.25 3.55 0.52 -0.72 -4.15 118.95 121.23 2pry s ARG 105 Ca 0.03 1.47 -0.09 0.00 -0.52 0.00 0.00 55.73 56.61 2pry s ARG 105 Cb -0.03 -3.45 0.18 0.00 0.52 0.00 0.00 34.95 32.17 2pry s ARG 105 CO -0.00 -0.10 1.76 0.36 0.02 0.00 0.00 175.30 177.34 2pry n LYS 106 N 3.99 3.68 -2.41 3.54 2.85 -1.26 0.02 118.16 128.56 2pry n LYS 106 Ca 0.07 -3.69 -0.36 0.00 -1.05 0.00 0.00 58.31 53.27 2pry n LYS 106 Cb 0.50 -2.89 -0.02 0.00 -0.65 0.00 0.00 35.03 31.97 2pry n LYS 106 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2pry s GLU 107 N 0.19 3.90 -0.36 -1.58 2.02 -1.26 -4.79 118.70 116.82 2pry s GLU 107 Ca 0.39 1.60 0.06 0.00 0.02 0.00 0.00 54.97 57.05 2pry s GLU 107 Cb 0.07 -2.39 0.44 0.00 0.10 0.00 0.00 34.13 32.35 2pry s GLU 107 CO 0.01 -0.39 1.15 0.00 0.02 0.00 0.00 175.26 176.05 2pry n ALA 108 N -0.44 5.01 0.00 5.21 0.00 -1.26 -5.05 120.51 123.98 2pry n ALA 108 Ca 0.07 -4.03 0.00 0.00 0.00 0.00 0.00 53.44 49.48 2pry n ALA 108 Cb 0.49 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2pry n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pry n GLY 115 N -0.60 0.49 3.74 0.00 0.00 0.10 -5.36 105.19 103.55 2pry n GLY 115 Ca 0.41 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 2pry n GLY 115 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pry s ILE 116 N 0.00 2.40 -0.17 -0.61 -1.09 -1.25 -4.70 121.20 115.77 2pry s ILE 116 Ca 0.00 0.22 -0.12 0.00 -2.23 0.00 0.00 60.65 58.52 2pry s ILE 116 Cb 0.00 -2.92 -0.05 0.00 -1.58 0.00 0.00 42.46 37.91 2pry s ILE 116 CO 0.00 -0.08 0.24 -0.63 -1.23 0.00 0.00 174.94 173.24 2pry s ILE 117 N -1.78 5.34 -0.49 2.92 1.01 -1.26 -1.75 121.20 125.20 2pry s ILE 117 Ca 0.76 0.42 -0.19 0.00 0.00 0.00 0.00 60.65 61.65 2pry s ILE 117 Cb -0.31 -3.57 0.05 0.00 0.01 0.00 0.00 42.46 38.64 2pry s ILE 117 CO 0.40 0.41 0.59 -0.69 0.00 0.00 0.00 174.94 175.66 2pry s VAL 118 N 0.37 4.91 -5.00 2.92 1.01 -0.79 -4.94 120.40 118.88 2pry s VAL 118 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2pry s VAL 118 Cb -0.12 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.01 2pry s VAL 118 CO 0.02 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 175.00 2pry n GLY 119 N 5.15 0.02 3.88 4.51 0.00 -1.26 -3.15 105.19 114.33 2pry n GLY 119 Ca -0.06 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 2pry n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pry s SER 120 N -4.00 5.57 0.17 1.61 0.01 -1.26 -5.00 113.70 110.80 2pry s SER 120 Ca 0.00 1.18 -0.33 0.00 1.31 0.00 0.00 55.95 58.11 2pry s SER 120 Cb 0.00 -2.02 -0.13 0.00 0.21 0.00 0.00 66.02 64.08 2pry s SER 120 CO 0.00 -1.27 1.67 0.00 0.41 0.00 0.00 173.24 174.05 2pry n ALA 121 N -2.97 1.99 1.26 1.44 0.00 -1.26 -4.90 120.51 116.07 2pry n ALA 121 Ca 0.07 0.41 0.13 0.00 0.00 0.00 0.00 53.44 54.05 2pry n ALA 121 Cb 0.57 -2.44 0.46 0.00 0.00 0.00 0.00 19.45 18.03 2pry n ALA 121 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pry n LEU 122 N 3.93 0.69 -4.67 0.00 4.77 -1.26 -4.85 117.00 115.60 2pry n LEU 122 Ca 0.17 -0.08 -0.47 0.00 -0.03 0.00 0.00 56.01 55.60 2pry n LEU 122 Cb 0.32 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2pry n LEU 122 CO 0.64 0.13 1.33 1.21 -1.33 0.00 0.00 177.39 179.38 2pry n GLU 123 N -0.93 2.20 -1.32 3.23 2.13 -1.17 -0.42 120.64 124.36 2pry n GLU 123 Ca 0.12 0.80 -0.11 0.00 0.66 0.00 0.00 57.16 58.63 2pry n GLU 123 Cb 0.32 -2.61 -0.05 0.00 0.27 0.00 0.00 31.44 29.37 2pry n GLU 123 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2pry n ASN 124 N 4.87 -5.61 -4.76 4.31 3.02 -1.10 -4.97 115.26 111.01 2pry n ASN 124 Ca 0.19 0.28 -0.36 0.00 -0.03 0.00 0.00 54.58 54.66 2pry n ASN 124 Cb 0.30 -4.10 -0.07 0.00 -0.61 0.00 0.00 39.78 35.30 2pry n ASN 124 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2pry s LYS 125 N -2.91 4.07 -0.24 3.52 -0.14 0.43 -4.97 119.74 119.51 2pry s LYS 125 Ca 0.00 -0.03 -0.29 0.00 -1.36 0.00 0.00 55.97 54.29 2pry s LYS 125 Cb 0.00 -3.37 0.01 0.00 -1.68 0.00 0.00 37.83 32.79 2pry s LYS 125 CO 0.00 0.38 1.04 1.03 -0.76 0.00 0.00 175.35 177.04 2pry s ARG 126 N 0.07 4.24 -0.15 1.68 0.52 -1.26 -2.03 118.95 122.02 2pry s ARG 126 Ca 0.14 1.32 -0.02 0.00 -0.52 0.00 0.00 55.73 56.65 2pry s ARG 126 Cb -0.12 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.68 2pry s ARG 126 CO 0.03 -0.65 -0.07 0.42 0.02 0.00 0.00 175.30 175.04 2pry s ILE 127 N 3.23 3.56 -0.22 1.52 1.09 0.18 0.51 121.20 131.06 2pry s ILE 127 Ca 0.44 -0.48 -0.11 0.00 -1.10 0.00 0.00 60.65 59.40 2pry s ILE 127 Cb -0.15 -2.54 -0.05 0.00 -1.06 0.00 0.00 42.46 38.66 2pry s ILE 127 CO 0.07 0.50 0.18 -0.22 -0.10 0.00 0.00 174.94 175.37 2pry s LEU 128 N 0.40 4.15 0.01 2.97 2.96 0.21 -0.34 118.68 129.04 2pry s LEU 128 Ca -0.06 0.20 -0.22 0.00 -0.22 0.00 0.00 54.13 53.82 2pry s LEU 128 Cb -0.15 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 2pry s LEU 128 CO 0.04 0.09 0.65 -0.63 -1.32 0.00 0.00 176.35 175.18 2pry s ILE 129 N 0.84 4.86 -0.08 6.68 1.01 -0.67 0.33 121.20 134.17 2pry s ILE 129 Ca 0.09 1.38 0.03 0.00 0.00 0.00 0.00 60.65 62.15 2pry s ILE 129 Cb -0.13 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.35 2pry s ILE 129 CO 0.03 0.39 -0.17 -0.51 0.00 0.00 0.00 174.94 174.68 2pry s ILE 130 N -0.10 1.49 0.30 2.92 2.07 0.25 -0.75 121.20 127.38 2pry s ILE 130 Ca 0.34 -0.69 -0.01 0.00 -1.41 0.00 0.00 60.65 58.87 2pry s ILE 130 Cb -0.19 -1.32 -0.01 0.00 0.13 0.00 0.00 42.46 41.07 2pry s ILE 130 CO 0.19 0.43 0.37 -0.62 -1.91 0.00 0.00 174.94 173.40 2pry s ASP 131 N 0.50 0.82 -0.11 4.50 -1.08 -0.93 -4.13 116.67 116.24 2pry s ASP 131 Ca -0.15 -1.46 -0.18 0.00 -0.52 0.00 0.00 52.55 50.24 2pry s ASP 131 Cb -0.16 0.58 -0.15 0.00 -1.46 0.00 0.00 42.92 41.72 2pry s ASP 131 CO 0.06 -1.14 0.53 -2.24 0.52 0.00 0.00 175.17 172.89 2pry h ASP 132 N 2.23 -0.03 -4.62 -0.34 2.03 -1.86 -3.35 116.42 110.48 2pry h ASP 132 Ca -0.29 -0.54 -0.47 0.00 -0.73 0.00 0.00 57.03 55.01 2pry h ASP 132 Cb 1.24 0.01 -0.14 0.00 -0.83 0.00 0.00 39.33 39.61 2pry h ASP 132 CO 0.40 0.71 -0.53 0.68 -1.03 0.00 0.00 179.24 179.48 2pry s VAL 133 N -2.22 0.31 -0.32 4.15 -7.23 -1.26 -1.88 120.40 111.95 2pry s VAL 133 Ca -0.11 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 2pry s VAL 133 Cb -0.01 -2.46 0.10 0.00 0.56 0.00 0.00 36.38 34.57 2pry s VAL 133 CO 0.41 0.00 0.09 -0.32 -0.31 0.00 0.00 175.10 174.98 2pry s MET 134 N -3.69 0.87 0.00 4.82 1.75 -1.26 -5.00 119.30 116.79 2pry s MET 134 Ca 0.34 -1.25 0.00 0.00 -1.25 0.00 0.00 55.69 53.52 2pry s MET 134 Cb 0.04 -2.23 0.00 0.00 2.84 0.00 0.00 34.83 35.47 2pry s MET 134 CO 0.19 -0.98 0.00 0.25 -0.65 0.00 0.00 175.02 173.83 2pry n THR 135 N 4.70 0.00 0.00 10.11 -2.24 -1.26 -4.81 114.28 120.78 2pry n THR 135 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2pry n THR 135 Cb 0.42 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2pry n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pry n ALA 139 N -0.33 0.00 -0.02 6.98 0.00 -1.26 -5.14 120.51 120.74 2pry n ALA 139 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2pry n ALA 139 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2pry n ALA 139 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2pry h ILE 140 N 0.00 1.41 -0.56 0.00 5.03 -2.01 -3.22 117.51 118.16 2pry h ILE 140 Ca 0.00 -1.85 -0.07 0.00 -0.12 0.00 0.00 64.86 62.82 2pry h ILE 140 Cb 0.00 2.37 -0.02 0.00 -3.03 0.00 0.00 36.82 36.13 2pry h ILE 140 CO 0.00 0.54 0.09 0.78 -0.68 0.00 0.00 178.15 178.88 2pry h ASN 141 N -0.07 0.85 -0.33 1.72 2.35 -2.00 -2.92 115.58 115.19 2pry h ASN 141 Ca -0.04 -0.18 0.07 0.00 -0.55 0.00 0.00 56.30 55.60 2pry h ASN 141 Cb 1.11 -0.22 -0.08 0.00 0.05 0.00 0.00 38.32 39.17 2pry h ASN 141 CO 0.09 0.86 -0.31 -0.33 -1.65 0.00 0.00 177.43 176.09 2pry h GLU 142 N 0.85 -0.27 -0.40 0.81 5.08 -2.00 0.25 114.58 118.90 2pry h GLU 142 Ca 0.18 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2pry h GLU 142 Cb 0.38 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2pry h GLU 142 CO 0.01 -0.18 0.23 0.00 -1.00 0.00 0.00 179.01 178.07 2pry h ALA 143 N 0.70 0.50 -0.66 3.43 0.00 -1.54 -1.02 119.26 120.68 2pry h ALA 143 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2pry h ALA 143 Cb 0.53 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2pry h ALA 143 CO -0.49 -0.11 0.36 0.74 0.00 0.00 0.00 179.25 179.75 2pry h PHE 144 N 0.46 0.91 0.31 0.00 -1.00 -1.29 -0.50 116.94 115.82 2pry h PHE 144 Ca 0.16 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 2pry h PHE 144 Cb 0.02 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.28 2pry h PHE 144 CO -0.08 0.65 -0.21 1.49 -1.61 0.00 0.00 178.31 178.55 2pry h GLU 145 N 0.90 -0.49 -0.46 1.51 4.81 -0.66 0.12 114.58 120.31 2pry h GLU 145 Ca 0.23 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.57 2pry h GLU 145 Cb 0.04 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 2pry h GLU 145 CO -0.04 -0.33 0.12 0.82 -0.73 0.00 0.00 179.01 178.86 2pry h ILE 146 N -0.51 0.79 -0.49 2.32 2.04 -0.99 -1.07 117.51 119.61 2pry h ILE 146 Ca -0.03 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 2pry h ILE 146 Cb 0.44 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2pry h ILE 146 CO 0.01 0.05 -0.11 0.40 0.00 0.00 0.00 178.15 178.51 2pry h ILE 147 N 0.27 1.27 -0.03 -0.67 2.04 -0.96 -2.82 117.51 116.61 2pry h ILE 147 Ca 0.22 -1.24 -0.15 0.00 1.00 0.00 0.00 64.86 64.69 2pry h ILE 147 Cb 0.26 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2pry h ILE 147 CO -0.26 0.43 -0.66 0.77 0.00 0.00 0.00 178.15 178.43 2pry h SER 148 N 0.79 0.17 -0.70 1.72 4.64 -0.67 0.32 113.55 119.81 2pry h SER 148 Ca 0.12 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2pry h SER 148 Cb 0.66 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 2pry h SER 148 CO 0.05 0.78 0.41 0.78 -0.87 0.00 0.00 176.83 177.97 2pry h ASN 149 N 0.10 0.86 0.00 4.97 2.35 -1.17 -2.38 115.58 120.32 2pry h ASN 149 Ca -0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2pry h ASN 149 Cb 1.17 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.33 2pry h ASN 149 CO 0.10 0.68 0.00 0.00 -1.65 0.00 0.00 177.43 176.56 2pry n ALA 150 N -2.33 2.46 -1.35 -0.83 0.00 -1.07 -4.85 120.51 112.55 2pry n ALA 150 Ca 0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 2pry n ALA 150 Cb 0.07 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 2pry n ALA 150 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pry n LYS 151 N -0.63 -0.85 -2.94 0.00 5.02 -0.90 -3.03 118.16 114.84 2pry n LYS 151 Ca 0.06 0.92 -0.40 0.00 -2.02 0.00 0.00 58.31 56.87 2pry n LYS 151 Cb 0.03 -4.93 -0.05 0.00 -0.02 0.00 0.00 35.03 30.05 2pry n LYS 151 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2pry s GLY 152 N -2.86 2.88 -0.52 0.72 0.00 0.11 -2.71 107.32 104.94 2pry s GLY 152 Ca 0.00 0.37 -0.17 0.00 0.00 0.00 0.00 44.72 44.92 2pry s GLY 152 CO 0.00 1.07 0.50 1.62 0.00 0.00 0.00 173.10 176.30 2pry s GLN 153 N -0.47 3.01 0.07 2.90 0.74 -0.86 -3.69 119.66 121.35 2pry s GLN 153 Ca 0.39 -1.46 -0.31 0.00 0.05 0.00 0.00 55.36 54.03 2pry s GLN 153 Cb -0.22 -4.22 -0.10 0.00 1.10 0.00 0.00 33.01 29.57 2pry s GLN 153 CO 0.25 -1.25 1.93 0.28 -0.55 0.00 0.00 175.29 175.95 2pry n VAL 154 N 5.31 0.62 0.21 1.34 0.31 -1.26 -0.64 118.33 124.22 2pry n VAL 154 Ca -0.12 -0.11 0.04 0.00 -0.01 0.00 0.00 64.34 64.14 2pry n VAL 154 Cb 0.42 -2.25 0.05 0.00 -0.91 0.00 0.00 33.84 31.15 2pry n VAL 154 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2pry n VAL 155 N 5.24 0.26 0.00 2.52 0.24 0.54 -4.85 118.33 122.28 2pry n VAL 155 Ca 0.19 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 2pry n VAL 155 Cb 0.39 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 2pry n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pry n GLY 156 N 0.39 1.38 3.00 7.63 0.00 -1.23 -4.39 105.19 111.98 2pry n GLY 156 Ca 0.06 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 2pry n GLY 156 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pry s SER 157 N 0.00 0.06 -0.02 1.61 0.15 -0.51 -1.67 113.70 113.32 2pry s SER 157 Ca 0.00 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.48 2pry s SER 157 Cb 0.00 0.15 0.01 0.00 -1.71 0.00 0.00 66.02 64.47 2pry s SER 157 CO 0.00 -0.22 -0.04 -0.51 1.20 0.00 0.00 173.24 173.67 2pry s ILE 158 N -0.89 0.43 0.44 6.45 2.07 0.07 0.55 121.20 130.33 2pry s ILE 158 Ca -0.10 -0.15 0.04 0.00 -1.41 0.00 0.00 60.65 59.03 2pry s ILE 158 Cb -0.06 -0.42 -0.04 0.00 0.13 0.00 0.00 42.46 42.07 2pry s ILE 158 CO 0.00 0.16 0.03 0.27 -1.91 0.00 0.00 174.94 173.49 2pry s ILE 159 N 0.38 1.34 -0.12 2.00 -4.36 -0.62 -2.20 121.20 117.64 2pry s ILE 159 Ca -0.04 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.16 2pry s ILE 159 Cb -0.08 -2.54 -0.16 0.00 1.25 0.00 0.00 42.46 40.92 2pry s ILE 159 CO -0.00 0.00 0.53 0.00 0.24 0.00 0.00 174.94 175.71 2pry h ALA 160 N 1.66 -0.02 -3.22 2.27 0.00 -1.51 -2.80 119.26 115.64 2pry h ALA 160 Ca -0.42 -0.31 -0.62 0.00 0.00 0.00 0.00 54.91 53.56 2pry h ALA 160 Cb 1.28 0.01 -0.36 0.00 0.00 0.00 0.00 17.79 18.71 2pry h ALA 160 CO 0.73 -0.03 -0.83 -1.17 0.00 0.00 0.00 179.25 177.95 2pry s LEU 161 N -8.41 2.03 -0.43 0.00 2.96 -1.26 -1.85 118.68 111.71 2pry s LEU 161 Ca -0.12 -0.68 -0.23 0.00 -0.22 0.00 0.00 54.13 52.88 2pry s LEU 161 Cb -0.02 -1.28 0.02 0.00 0.50 0.00 0.00 46.19 45.42 2pry s LEU 161 CO 0.44 -0.07 0.80 -0.62 -1.32 0.00 0.00 176.35 175.58 2pry s ASP 162 N 1.40 6.45 0.51 3.68 -1.08 -0.36 -4.75 116.67 122.52 2pry s ASP 162 Ca 0.03 0.01 0.30 0.00 -0.52 0.00 0.00 52.55 52.36 2pry s ASP 162 Cb -0.14 -2.39 1.08 0.00 -1.46 0.00 0.00 42.92 40.01 2pry s ASP 162 CO -0.10 -0.89 1.88 0.03 0.52 0.00 0.00 175.17 176.61 2pry h ARG 163 N 8.88 0.00 -4.86 4.34 3.08 -1.95 -2.51 114.38 121.37 2pry h ARG 163 Ca -0.25 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.40 2pry h ARG 163 Cb 1.09 0.00 0.06 0.00 0.08 0.00 0.00 29.97 31.20 2pry h ARG 163 CO 0.96 0.04 -0.62 1.04 -1.07 0.00 0.00 179.97 180.31 2pry n GLN 164 N -3.14 -5.40 -3.91 0.04 6.02 -1.26 -4.62 117.38 105.11 2pry n GLN 164 Ca 0.01 0.86 -0.37 0.00 -0.01 0.00 0.00 57.00 57.49 2pry n GLN 164 Cb 0.37 -5.75 -0.06 0.00 1.02 0.00 0.00 30.24 25.82 2pry n GLN 164 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2pry s GLU 165 N -5.87 3.42 0.33 -1.09 2.02 -1.26 -0.35 118.70 115.91 2pry s GLU 165 Ca 0.37 -0.15 -0.29 0.00 0.02 0.00 0.00 54.97 54.93 2pry s GLU 165 Cb -0.17 -3.17 -0.11 0.00 0.10 0.00 0.00 34.13 30.79 2pry s GLU 165 CO 0.46 0.77 1.44 0.14 0.02 0.00 0.00 175.26 178.09 2pry s VAL 166 N -1.00 2.36 0.21 2.63 -7.23 -0.55 -3.54 120.40 113.28 2pry s VAL 166 Ca 0.15 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 2pry s VAL 166 Cb -0.12 -3.22 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 2pry s VAL 166 CO 0.04 0.07 1.54 0.58 -0.31 0.00 0.00 175.10 177.02 2pry h VAL 167 N 3.14 1.34 -3.30 1.32 2.07 -1.80 -3.42 116.25 115.59 2pry h VAL 167 Ca -0.49 -1.82 -0.63 0.00 0.82 0.00 0.00 66.70 64.58 2pry h VAL 167 Cb 1.23 1.82 -0.20 0.00 -1.52 0.00 0.00 31.29 32.62 2pry h VAL 167 CO 0.69 0.55 -0.65 -0.55 0.02 0.00 0.00 177.57 177.63 2pry s SER 168 N -6.91 4.94 0.07 0.57 0.15 -1.26 -5.04 113.70 106.22 2pry s SER 168 Ca -0.06 -0.09 -0.36 0.00 0.70 0.00 0.00 55.95 56.14 2pry s SER 168 Cb 0.12 -1.80 -0.19 0.00 -1.71 0.00 0.00 66.02 62.44 2pry s SER 168 CO 0.82 0.18 1.58 0.74 1.20 0.00 0.00 173.24 177.76 2pry h THR 169 N 5.07 0.05 -0.87 6.45 2.02 -2.01 -3.19 112.91 120.42 2pry h THR 169 Ca -0.33 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.23 2pry h THR 169 Cb 1.19 0.05 -0.11 0.00 -1.74 0.00 0.00 68.15 67.54 2pry h THR 169 CO 0.64 0.00 1.84 0.47 0.37 0.00 0.00 175.52 178.84 2pry n ASP 170 N -5.61 7.50 -2.71 4.18 8.00 -1.26 -4.10 116.55 122.54 2pry n ASP 170 Ca -0.15 -3.02 -0.06 0.00 0.71 0.00 0.00 54.79 52.27 2pry n ASP 170 Cb 0.49 -1.36 0.06 0.00 -0.02 0.00 0.00 41.12 40.28 2pry n ASP 170 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2pry n ASP 171 N 1.82 -2.26 0.24 -2.24 2.03 -1.21 -5.05 116.55 109.88 2pry n ASP 171 Ca 0.60 -2.59 0.15 0.00 0.52 0.00 0.00 54.79 53.46 2pry n ASP 171 Cb 0.38 1.35 0.81 0.00 -0.72 0.00 0.00 41.12 42.95 2pry n ASP 171 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2pry h LYS 172 N 3.75 0.00 -0.45 -0.67 1.57 -1.78 -0.94 116.57 118.04 2pry h LYS 172 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2pry h LYS 172 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2pry h LYS 172 CO 0.09 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.36 2pry n GLU 173 N -4.03 2.23 -1.03 3.15 -0.58 -1.26 -4.78 120.64 114.35 2pry n GLU 173 Ca -0.01 -1.89 -0.29 0.00 -0.42 0.00 0.00 57.16 54.55 2pry n GLU 173 Cb 0.20 -1.44 0.22 0.00 -0.57 0.00 0.00 31.44 29.85 2pry n GLU 173 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2pry s GLY 174 N -1.20 1.56 0.43 0.62 0.00 -0.36 -4.97 107.32 103.40 2pry s GLY 174 Ca 0.36 -0.65 -0.07 0.00 0.00 0.00 0.00 44.72 44.37 2pry s GLY 174 CO 0.27 0.13 0.74 1.08 0.00 0.00 0.00 173.10 175.32 2pry s LEU 175 N -6.84 3.76 1.06 0.66 1.43 -1.26 -4.63 118.68 112.86 2pry s LEU 175 Ca 0.68 0.95 -0.18 0.00 -1.03 0.00 0.00 54.13 54.56 2pry s LEU 175 Cb -0.15 -3.86 0.24 0.00 0.03 0.00 0.00 46.19 42.45 2pry s LEU 175 CO 0.58 -0.46 1.26 -0.94 0.23 0.00 0.00 176.35 177.01 2pry s SER 176 N -3.68 2.21 0.09 2.29 1.04 -1.26 -2.56 113.70 111.82 2pry s SER 176 Ca 0.48 0.34 -0.27 0.00 0.48 0.00 0.00 55.95 56.98 2pry s SER 176 Cb -0.10 -0.41 -0.15 0.00 0.10 0.00 0.00 66.02 65.46 2pry s SER 176 CO 0.38 -3.30 1.68 0.00 0.98 0.00 0.00 173.24 172.98 2pry h ALA 177 N -2.03 -0.42 -0.78 5.32 0.00 -1.90 -1.33 119.26 118.13 2pry h ALA 177 Ca -0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2pry h ALA 177 Cb 1.25 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 2pry h ALA 177 CO 0.34 -0.74 0.40 1.79 0.00 0.00 0.00 179.25 181.03 2pry h THR 178 N -0.43 1.24 -0.52 0.00 1.35 -1.92 -2.02 112.91 110.61 2pry h THR 178 Ca -0.03 -0.63 -0.11 0.00 -0.55 0.00 0.00 66.41 65.10 2pry h THR 178 Cb 0.35 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 66.97 2pry h THR 178 CO 0.03 0.27 -0.09 1.56 -0.25 0.00 0.00 175.52 177.04 2pry h GLN 179 N 1.09 0.98 -0.06 4.72 4.20 -1.91 0.25 115.11 124.38 2pry h GLN 179 Ca 0.27 -0.36 0.03 0.00 0.06 0.00 0.00 58.65 58.65 2pry h GLN 179 Cb 0.07 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 2pry h GLN 179 CO -0.04 1.03 -0.10 1.15 -0.67 0.00 0.00 178.83 180.20 2pry h THR 180 N 0.85 0.73 0.08 -0.54 2.02 -0.98 -0.18 112.91 114.88 2pry h THR 180 Ca 0.14 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 2pry h THR 180 Cb 0.65 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2pry h THR 180 CO 0.04 0.00 -0.04 0.58 0.37 0.00 0.00 175.52 176.48 2pry h VAL 181 N -0.14 0.98 -0.83 3.16 2.07 -1.29 -1.39 116.25 118.79 2pry h VAL 181 Ca 0.06 -0.18 0.15 0.00 0.82 0.00 0.00 66.70 67.55 2pry h VAL 181 Cb 0.23 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 2pry h VAL 181 CO -0.15 0.05 0.55 -1.28 0.02 0.00 0.00 177.57 176.75 2pry h SER 182 N -0.19 0.53 -0.03 0.57 0.87 -0.77 -1.52 113.55 113.01 2pry h SER 182 Ca -0.01 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.46 2pry h SER 182 Cb 0.15 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2pry h SER 182 CO 0.02 0.27 -0.46 0.50 -0.53 0.00 0.00 176.83 176.63 2pry h LYS 183 N 0.56 0.36 -0.51 2.24 3.64 -0.86 -1.38 116.57 120.62 2pry h LYS 183 Ca 0.42 -0.35 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2pry h LYS 183 Cb 0.80 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 2pry h LYS 183 CO -0.17 1.02 0.20 -0.22 -2.27 0.00 0.00 179.45 178.00 2pry h LYS 184 N -0.16 0.78 -0.03 1.90 3.64 -0.73 -3.18 116.57 118.80 2pry h LYS 184 Ca -0.05 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2pry h LYS 184 Cb 1.15 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2pry h LYS 184 CO 0.09 0.69 -0.01 0.66 -2.27 0.00 0.00 179.45 178.61 2pry n TYR 185 N -4.53 0.00 -2.22 1.91 4.01 -0.62 -4.98 117.16 110.74 2pry n TYR 185 Ca 0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.60 2pry n TYR 185 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.18 2pry n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pry n GLY 186 N 1.16 -0.10 3.32 2.72 0.00 -0.57 -5.01 105.19 106.71 2pry n GLY 186 Ca 0.12 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 2pry n GLY 186 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2pry s ILE 187 N -2.76 1.76 0.29 -0.61 -4.36 -0.90 -5.02 121.20 109.59 2pry s ILE 187 Ca 0.00 -1.86 -0.29 0.00 -0.26 0.00 0.00 60.65 58.23 2pry s ILE 187 Cb 0.00 -1.79 -0.10 0.00 1.25 0.00 0.00 42.46 41.83 2pry s ILE 187 CO 0.00 -0.30 1.15 -2.16 0.24 0.00 0.00 174.94 173.87 2pry s PRO 188 N -2.71 4.57 -0.43 0.37 0.04 -1.26 -4.22 135.00 131.36 2pry s PRO 188 Ca 0.14 1.90 -0.00 0.00 0.04 0.00 0.00 61.00 63.08 2pry s PRO 188 Cb -0.06 -3.17 0.12 0.00 0.04 0.00 0.00 34.50 31.43 2pry s PRO 188 CO 0.06 0.11 0.19 0.08 0.04 0.00 0.00 177.00 177.48 2pry s VAL 189 N -1.10 2.97 0.72 -0.36 1.01 -1.26 -1.42 120.40 120.96 2pry s VAL 189 Ca 0.46 -2.39 -0.11 0.00 0.00 0.00 0.00 61.98 59.94 2pry s VAL 189 Cb -0.34 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.00 2pry s VAL 189 CO 0.43 -0.70 1.07 -0.76 0.00 0.00 0.00 175.10 175.14 2pry s LEU 190 N 0.77 3.00 -0.06 3.92 1.43 0.19 -4.94 118.68 122.98 2pry s LEU 190 Ca 0.11 1.52 -0.19 0.00 -1.03 0.00 0.00 54.13 54.55 2pry s LEU 190 Cb -0.22 -4.34 0.04 0.00 0.03 0.00 0.00 46.19 41.70 2pry s LEU 190 CO -0.05 -1.55 0.42 -0.94 0.23 0.00 0.00 176.35 174.46 2pry s SER 191 N -3.85 -0.36 0.08 2.29 1.04 -1.26 -1.58 113.70 110.07 2pry s SER 191 Ca 0.59 0.43 -0.25 0.00 0.48 0.00 0.00 55.95 57.20 2pry s SER 191 Cb -0.14 0.51 -0.16 0.00 0.10 0.00 0.00 66.02 66.34 2pry s SER 191 CO 0.55 -0.41 1.71 0.40 0.98 0.00 0.00 173.24 176.47 2pry h ILE 192 N 3.82 0.91 -4.23 -1.02 2.04 -1.14 -3.45 117.51 114.44 2pry h ILE 192 Ca -0.28 -0.02 -0.16 0.00 1.00 0.00 0.00 64.86 65.39 2pry h ILE 192 Cb 1.17 0.92 -0.15 0.00 -0.74 0.00 0.00 36.82 38.02 2pry h ILE 192 CO 0.35 0.01 -0.67 0.68 0.00 0.00 0.00 178.15 178.52 2pry s VAL 193 N -6.13 0.26 0.45 1.67 -7.23 -0.77 -4.85 120.40 103.80 2pry s VAL 193 Ca -0.14 -1.86 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 2pry s VAL 193 Cb 0.06 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 2pry s VAL 193 CO 0.65 -0.80 0.04 -0.44 -0.31 0.00 0.00 175.10 174.25 2pry s SER 194 N -2.99 4.05 0.39 4.85 0.01 -1.26 -1.23 113.70 117.52 2pry s SER 194 Ca 0.14 -1.43 0.07 0.00 1.31 0.00 0.00 55.95 56.03 2pry s SER 194 Cb 0.07 -0.08 0.79 0.00 0.21 0.00 0.00 66.02 67.01 2pry s SER 194 CO -0.05 -0.62 2.00 0.25 0.41 0.00 0.00 173.24 175.23 2pry h LEU 195 N 1.56 0.45 -1.55 2.44 5.85 -1.70 -1.26 115.31 121.10 2pry h LEU 195 Ca -0.44 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 2pry h LEU 195 Cb 1.27 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2pry h LEU 195 CO 0.77 0.40 0.07 -0.29 -0.34 0.00 0.00 178.44 179.05 2pry h ILE 196 N 0.51 1.12 -0.31 4.05 2.10 -1.93 -1.69 117.51 121.36 2pry h ILE 196 Ca 0.13 -0.42 -0.15 0.00 1.08 0.00 0.00 64.86 65.49 2pry h ILE 196 Cb 0.08 0.86 -0.01 0.00 -1.09 0.00 0.00 36.82 36.66 2pry h ILE 196 CO -0.02 0.15 -0.43 0.45 -1.08 0.00 0.00 178.15 177.23 2pry h HIS 197 N 0.36 0.93 0.31 2.19 3.86 -1.64 -1.86 115.15 119.29 2pry h HIS 197 Ca 0.09 -0.29 -0.00 0.00 -1.16 0.00 0.00 60.37 59.01 2pry h HIS 197 Cb 0.14 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 2pry h HIS 197 CO 0.00 1.06 -0.24 0.82 0.86 0.00 0.00 177.93 180.44 2pry h ILE 198 N 0.63 0.50 -0.89 2.45 1.08 -0.97 -1.72 117.51 118.58 2pry h ILE 198 Ca 0.04 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.68 2pry h ILE 198 Cb 0.99 0.50 -0.10 0.00 -3.07 0.00 0.00 36.82 35.13 2pry h ILE 198 CO 0.09 0.00 0.47 0.40 -0.69 0.00 0.00 178.15 178.43 2pry h ILE 199 N -0.55 0.69 -0.42 -0.67 2.04 -1.28 -1.87 117.51 115.45 2pry h ILE 199 Ca -0.02 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 2pry h ILE 199 Cb 0.48 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2pry h ILE 199 CO -0.01 0.12 -0.11 0.74 0.00 0.00 0.00 178.15 178.89 2pry h THR 200 N 0.63 1.27 -0.03 -0.27 2.02 -1.07 -3.10 112.91 112.36 2pry h THR 200 Ca 0.50 -1.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.39 2pry h THR 200 Cb 0.76 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2pry h THR 200 CO -0.39 0.41 -0.38 0.22 0.37 0.00 0.00 175.52 175.75 2pry h TYR 201 N 0.64 0.07 0.00 3.16 3.20 -0.63 -3.03 116.97 120.38 2pry h TYR 201 Ca 0.11 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2pry h TYR 201 Cb 0.64 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.89 2pry h TYR 201 CO 0.05 0.43 0.00 1.28 -1.64 0.00 0.00 178.16 178.28 2pry n LEU 202 N -4.08 0.00 -4.68 2.82 4.77 -0.77 -4.72 117.00 110.35 2pry n LEU 202 Ca -0.02 0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 56.01 2pry n LEU 202 Cb 0.42 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 2pry n LEU 202 CO 0.40 -0.07 1.32 -0.70 -1.33 0.00 0.00 177.39 177.01 2pry s GLU 203 N -2.94 4.20 0.00 3.23 2.56 -1.15 -1.62 118.70 122.99 2pry s GLU 203 Ca 0.14 2.24 0.00 0.00 0.00 0.00 0.00 54.97 57.34 2pry s GLU 203 Cb 0.17 -3.75 0.00 0.00 2.00 0.00 0.00 34.13 32.54 2pry s GLU 203 CO 0.45 -0.76 0.00 0.41 -0.56 0.00 0.00 175.26 174.80 2pry n GLY 204 N 4.01 1.02 0.08 -1.50 0.00 -1.26 -4.82 105.19 102.71 2pry n GLY 204 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 2pry n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pry n ARG 205 N -2.00 1.09 -4.44 1.61 1.74 -0.64 -4.98 116.66 109.04 2pry n ARG 205 Ca 0.00 -0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.83 2pry n ARG 205 Cb 0.00 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 29.89 2pry n ARG 205 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pry s ILE 206 N -2.54 1.65 0.65 0.55 1.01 -0.96 -5.13 121.20 116.43 2pry s ILE 206 Ca -0.08 -2.11 -0.02 0.00 0.00 0.00 0.00 60.65 58.44 2pry s ILE 206 Cb 0.06 -2.52 0.07 0.00 0.01 0.00 0.00 42.46 40.09 2pry s ILE 206 CO 0.72 -0.25 0.92 -0.89 0.00 0.00 0.00 174.94 175.43 2pry s THR 207 N -3.00 2.39 -1.13 2.92 2.01 -1.26 -4.84 115.64 112.72 2pry s THR 207 Ca 0.31 -0.53 -0.24 0.00 0.31 0.00 0.00 61.69 61.54 2pry s THR 207 Cb 0.04 -2.86 -0.14 0.00 0.01 0.00 0.00 72.50 69.56 2pry s THR 207 CO 0.13 0.00 1.98 0.00 -0.69 0.00 0.00 174.62 176.04 2pry n ALA 208 N -2.68 1.40 0.02 7.40 0.00 -1.26 -3.42 120.51 121.97 2pry n ALA 208 Ca 0.10 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.74 2pry n ALA 208 Cb 0.60 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.60 2pry n ALA 208 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2pry n GLU 209 N 8.19 0.00 0.02 0.00 0.28 -1.26 -4.78 120.64 123.09 2pry n GLU 209 Ca 0.44 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.31 2pry n GLU 209 Cb 0.46 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.20 2pry n GLU 209 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2pry h GLU 210 N 0.00 0.12 -0.76 3.44 5.08 -1.98 -3.19 114.58 117.30 2pry h GLU 210 Ca 0.00 -0.20 0.14 0.00 -1.00 0.00 0.00 59.36 58.30 2pry h GLU 210 Cb 0.00 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.23 2pry h GLU 210 CO 0.00 0.87 0.30 -0.22 -1.00 0.00 0.00 179.01 178.96 2pry h LYS 211 N 0.03 0.43 0.90 2.33 1.63 -1.90 -2.02 116.57 117.97 2pry h LYS 211 Ca -0.25 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.48 2pry h LYS 211 Cb 1.98 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 33.52 2pry h LYS 211 CO 0.11 0.29 -0.43 0.66 -3.45 0.00 0.00 179.45 176.63 2pry h SER 212 N 0.45 -1.02 -0.93 4.20 4.64 -1.82 -2.96 113.55 116.10 2pry h SER 212 Ca 0.42 0.03 0.25 0.00 -0.47 0.00 0.00 61.79 62.02 2pry h SER 212 Cb 0.63 0.26 -0.17 0.00 -0.31 0.00 0.00 62.40 62.81 2pry h SER 212 CO -0.40 -0.70 -0.00 1.17 -0.87 0.00 0.00 176.83 176.02 2pry n LYS 213 N -5.59 -0.08 -0.03 4.77 4.81 -0.85 -0.83 118.16 120.36 2pry n LYS 213 Ca -0.15 1.40 -0.16 0.00 -0.87 0.00 0.00 58.31 58.53 2pry n LYS 213 Cb 0.48 -2.22 -0.07 0.00 0.02 0.00 0.00 35.03 33.24 2pry n LYS 213 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2pry h ILE 214 N 0.00 1.32 -0.48 3.15 2.04 -1.41 -1.85 117.51 120.29 2pry h ILE 214 Ca 0.56 -1.84 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 2pry h ILE 214 Cb 1.12 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 39.22 2pry h ILE 214 CO -0.89 0.57 0.17 -0.33 0.00 0.00 0.00 178.15 177.67 2pry h GLU 215 N 0.32 0.69 0.00 2.37 5.08 -0.95 0.54 114.58 122.63 2pry h GLU 215 Ca -0.03 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2pry h GLU 215 Cb 1.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2pry h GLU 215 CO 0.12 0.59 0.00 1.04 -1.00 0.00 0.00 179.01 179.76 2pry n GLN 216 N -4.34 0.04 0.02 2.33 6.02 -0.01 -1.53 117.38 119.90 2pry n GLN 216 Ca 0.04 0.04 -0.18 0.00 -0.01 0.00 0.00 57.00 56.88 2pry n GLN 216 Cb 0.17 -1.54 -0.14 0.00 1.02 0.00 0.00 30.24 29.74 2pry n GLN 216 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2pry h TYR 217 N 0.00 0.40 -0.57 1.08 3.20 -0.45 -3.20 116.97 117.42 2pry h TYR 217 Ca 0.00 -0.29 -0.05 0.00 3.14 0.00 0.00 58.73 61.53 2pry h TYR 217 Cb 0.53 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 2pry h TYR 217 CO 0.00 1.54 0.16 1.25 -1.64 0.00 0.00 178.16 179.47 2pry h LEU 218 N 0.06 0.81 0.67 2.82 5.85 -0.72 -0.78 115.31 124.03 2pry h LEU 218 Ca -0.35 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 2pry h LEU 218 Cb 2.04 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 42.86 2pry h LEU 218 CO 0.11 0.78 -0.32 -0.61 -0.34 0.00 0.00 178.44 178.05 2pry h GLN 219 N 0.84 -0.87 -0.56 1.25 4.15 -1.42 0.21 115.11 118.71 2pry h GLN 219 Ca 0.19 0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 2pry h GLN 219 Cb 0.27 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 2pry h GLN 219 CO -0.01 -0.55 0.30 1.15 -1.93 0.00 0.00 178.83 177.80 2pry h THR 220 N -1.01 1.19 0.00 2.39 2.02 -1.53 -3.36 112.91 112.61 2pry h THR 220 Ca -0.09 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.60 2pry h THR 220 Cb 0.72 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2pry h THR 220 CO 0.15 0.20 -0.47 -1.22 0.37 0.00 0.00 175.52 174.56 2pry n TYR 221 N -4.60 0.00 -2.65 3.16 4.02 -0.30 -5.03 117.16 111.75 2pry n TYR 221 Ca 0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.56 2pry n TYR 221 Cb 0.09 -0.03 -0.05 0.00 -0.02 0.00 0.00 39.34 39.33 2pry n TYR 221 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2pry s GLY 222 N -1.79 2.76 0.34 2.72 0.00 0.72 -1.49 107.32 110.59 2pry s GLY 222 Ca 0.02 0.62 -0.16 0.00 0.00 0.00 0.00 44.72 45.20 2pry s GLY 222 CO 0.26 1.06 0.77 0.00 0.00 0.00 0.00 173.10 175.19 2pry s ALA 223 N -1.65 3.27 0.72 3.20 0.00 0.53 -4.66 121.76 123.18 2pry s ALA 223 Ca 0.54 0.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.49 2pry s ALA 223 Cb -0.20 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.11 2pry s ALA 223 CO 0.26 0.29 1.07 -1.54 0.00 0.00 0.00 175.76 175.84 2pry s SER 224 N -2.28 5.02 0.00 0.00 1.04 -1.26 -4.97 113.70 111.25 2pry s SER 224 Ca 0.55 1.72 0.08 0.00 0.48 0.00 0.00 55.95 58.79 2pry s SER 224 Cb -0.10 -2.51 0.50 0.00 0.10 0.00 0.00 66.02 64.01 2pry s SER 224 CO 0.17 -1.68 0.95 0.00 0.98 0.00 0.00 173.24 173.65