#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpw n GLU 7 N 0.00 0.27 -2.87 1.61 2.13 -1.26 -5.00 120.64 115.52 2wpw n GLU 7 Ca 0.00 0.09 -0.41 0.00 0.66 0.00 0.00 57.16 57.49 2wpw n GLU 7 Cb 0.00 -1.09 -0.04 0.00 0.27 0.00 0.00 31.44 30.58 2wpw n GLU 7 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2wpw s LEU 8 N -6.11 4.27 -0.20 4.31 1.43 -1.26 -3.98 118.68 117.15 2wpw s LEU 8 Ca -0.16 1.33 -0.06 0.00 -1.03 0.00 0.00 54.13 54.21 2wpw s LEU 8 Cb 0.05 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.93 2wpw s LEU 8 CO 0.24 -0.29 0.03 -0.70 0.23 0.00 0.00 176.35 175.86 2wpw s GLU 9 N 1.50 3.76 -0.27 1.70 2.12 0.45 -4.91 118.70 123.03 2wpw s GLU 9 Ca 0.42 -0.45 -0.16 0.00 0.36 0.00 0.00 54.97 55.14 2wpw s GLU 9 Cb -0.18 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 2wpw s GLU 9 CO 0.18 0.08 0.42 -0.06 -0.54 0.00 0.00 175.26 175.35 2wpw s PHE 10 N 0.85 3.25 -0.05 5.30 0.08 -1.26 -0.84 117.98 125.31 2wpw s PHE 10 Ca 0.02 0.46 0.05 0.00 0.12 0.00 0.00 56.93 57.58 2wpw s PHE 10 Cb -0.14 -2.63 -0.00 0.00 -0.57 0.00 0.00 43.02 39.68 2wpw s PHE 10 CO 0.02 -0.26 -0.19 0.08 -0.10 0.00 0.00 175.22 174.77 2wpw s VAL 11 N 2.15 1.59 0.40 -0.44 1.01 -0.24 -4.98 120.40 119.88 2wpw s VAL 11 Ca 0.17 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 2wpw s VAL 11 Cb -0.16 -1.36 -0.11 0.00 0.00 0.00 0.00 36.38 34.75 2wpw s VAL 11 CO 0.10 0.45 1.18 -2.65 0.00 0.00 0.00 175.10 174.18 2wpw n PRO 12 N 3.18 1.74 -3.45 2.72 -0.02 -1.26 -0.36 135.00 137.54 2wpw n PRO 12 Ca -0.18 0.62 -0.38 0.00 -2.02 0.00 0.00 63.50 61.54 2wpw n PRO 12 Cb 0.53 -2.23 -0.08 0.00 -0.02 0.00 0.00 33.50 31.69 2wpw n PRO 12 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wpw s LEU 13 N -1.08 4.12 -0.06 2.45 2.96 -0.06 -4.74 118.68 122.27 2wpw s LEU 13 Ca 0.61 0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.91 2wpw s LEU 13 Cb -0.55 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 43.76 2wpw s LEU 13 CO 0.58 -0.06 -0.10 0.00 -1.32 0.00 0.00 176.35 175.45 2wpw s ALA 14 N 1.39 1.15 0.47 5.97 0.00 -1.26 -4.74 121.76 124.73 2wpw s ALA 14 Ca 0.16 -0.35 0.29 0.00 0.00 0.00 0.00 51.96 52.05 2wpw s ALA 14 Cb -0.15 -0.56 1.36 0.00 0.00 0.00 0.00 23.12 23.77 2wpw s ALA 14 CO 0.07 0.05 1.76 0.00 0.00 0.00 0.00 175.76 177.64 2wpw h ALA 15 N 7.10 2.73 -0.23 0.00 0.00 -1.96 0.48 119.26 127.38 2wpw h ALA 15 Ca -0.32 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wpw h ALA 15 Cb 1.18 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wpw h ALA 15 CO 0.47 -1.14 0.00 0.27 0.00 0.00 0.00 179.25 178.85 2wpw n ASN 16 N -4.43 2.26 -4.38 0.00 6.94 -1.26 -4.59 115.26 109.80 2wpw n ASN 16 Ca 0.28 -1.81 -0.45 0.00 -0.02 0.00 0.00 54.58 52.58 2wpw n ASN 16 Cb 1.15 -0.15 -0.03 0.00 -2.36 0.00 0.00 39.78 38.39 2wpw n ASN 16 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2wpw s ASP 17 N -1.56 6.45 0.07 0.53 3.68 0.16 -4.95 116.67 121.04 2wpw s ASP 17 Ca 0.34 -1.93 -0.23 0.00 2.13 0.00 0.00 52.55 52.86 2wpw s ASP 17 Cb 0.19 -2.30 -0.14 0.00 -1.45 0.00 0.00 42.92 39.22 2wpw s ASP 17 CO 0.28 -0.95 1.62 0.44 0.13 0.00 0.00 175.17 176.69 2wpw h ASP 18 N 8.72 0.07 -0.31 -0.34 3.45 -1.84 -1.44 116.42 124.73 2wpw h ASP 18 Ca -0.08 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.24 2wpw h ASP 18 Cb 1.06 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.80 2wpw h ASP 18 CO 1.01 0.19 0.16 -0.08 -1.57 0.00 0.00 179.24 178.95 2wpw h GLU 19 N -0.05 0.43 0.55 3.56 4.81 -1.98 -1.30 114.58 120.60 2wpw h GLU 19 Ca 0.02 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2wpw h GLU 19 Cb 0.13 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.44 2wpw h GLU 19 CO -0.00 0.38 -0.26 1.15 -0.73 0.00 0.00 179.01 179.54 2wpw h THR 20 N 0.37 0.43 -0.93 0.32 2.02 -1.94 -1.75 112.91 111.43 2wpw h THR 20 Ca 0.11 -0.18 0.24 0.00 0.77 0.00 0.00 66.41 67.35 2wpw h THR 20 Cb 0.08 0.50 -0.13 0.00 -1.74 0.00 0.00 68.15 66.86 2wpw h THR 20 CO -0.02 0.03 0.43 0.58 0.37 0.00 0.00 175.52 176.91 2wpw h VAL 21 N -0.85 0.43 -0.29 3.16 2.07 -1.22 0.21 116.25 119.76 2wpw h VAL 21 Ca -0.08 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 2wpw h VAL 21 Cb 0.61 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2wpw h VAL 21 CO 0.12 0.07 -0.27 1.23 0.02 0.00 0.00 177.57 178.74 2wpw h GLY 22 N 0.38 0.63 1.29 2.17 0.00 -0.52 0.12 103.07 107.14 2wpw h GLY 22 Ca 0.60 -0.54 -0.19 0.00 0.00 0.00 0.00 47.33 47.20 2wpw h GLY 22 CO -0.55 0.49 -0.65 1.46 0.00 0.00 0.00 176.54 177.29 2wpw h GLN 23 N 0.50 0.72 -0.29 4.80 4.20 -0.18 -1.79 115.11 123.07 2wpw h GLN 23 Ca 0.07 -0.52 0.06 0.00 0.06 0.00 0.00 58.65 58.32 2wpw h GLN 23 Cb 0.73 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.54 2wpw h GLN 23 CO 0.06 1.14 -0.06 2.35 -0.67 0.00 0.00 178.83 181.65 2wpw h TRP 24 N 0.53 -0.12 -0.60 2.96 7.01 -0.90 0.66 115.95 125.49 2wpw h TRP 24 Ca -0.02 0.03 0.10 0.00 2.11 0.00 0.00 58.89 61.11 2wpw h TRP 24 Cb 1.25 0.10 -0.08 0.00 -2.10 0.00 0.00 29.16 28.33 2wpw h TRP 24 CO 0.07 -0.11 0.17 -0.07 -2.79 0.00 0.00 178.44 175.71 2wpw h LEU 25 N 0.02 0.11 -0.27 0.65 3.38 -0.68 -2.81 115.31 115.70 2wpw h LEU 25 Ca 0.14 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2wpw h LEU 25 Cb 0.21 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2wpw h LEU 25 CO -0.28 0.07 0.01 0.44 0.09 0.00 0.00 178.44 178.76 2wpw h ASP 26 N 0.32 0.45 0.00 -0.43 3.45 -0.59 -0.82 116.42 118.81 2wpw h ASP 26 Ca 0.31 -0.30 0.00 0.00 0.43 0.00 0.00 57.03 57.47 2wpw h ASP 26 Cb 0.42 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 2wpw h ASP 26 CO -0.35 0.64 0.00 -0.11 -1.57 0.00 0.00 179.24 177.85 2wpw n LEU 27 N -4.62 0.00 0.00 1.55 7.94 0.22 -0.36 117.00 121.73 2wpw n LEU 27 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 2wpw n LEU 27 Cb 0.24 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.19 2wpw n LEU 27 CO 0.38 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.66 2wpw n ALA 29 N 0.18 0.00 -0.06 1.96 0.00 -0.31 -0.50 120.51 121.78 2wpw n ALA 29 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2wpw n ALA 29 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2wpw n ALA 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wpw h LEU 30 N 0.00 0.29 -0.98 0.00 5.85 -0.97 -3.11 115.31 116.39 2wpw h LEU 30 Ca 0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2wpw h LEU 30 Cb 0.00 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 2wpw h LEU 30 CO 0.00 0.42 0.62 0.00 -0.34 0.00 0.00 178.44 179.14 2wpw h ALA 31 N 0.89 1.24 -0.60 1.25 0.00 -1.03 -2.34 119.26 118.67 2wpw h ALA 31 Ca 0.06 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.06 2wpw h ALA 31 Cb 0.23 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wpw h ALA 31 CO -0.00 0.66 0.48 0.00 0.00 0.00 0.00 179.25 180.38 2wpw h ALA 32 N 1.34 2.48 -0.64 0.00 0.00 -1.80 -1.92 119.26 118.72 2wpw h ALA 32 Ca 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2wpw h ALA 32 Cb -0.11 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2wpw h ALA 32 CO -0.07 -0.78 0.36 0.93 0.00 0.00 0.00 179.25 179.69 2wpw h GLU 33 N 0.00 0.88 -0.24 0.00 5.08 -1.50 -2.58 114.58 116.22 2wpw h GLU 33 Ca 0.28 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 2wpw h GLU 33 Cb 1.23 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 2wpw h GLU 33 CO -0.00 0.64 -0.08 0.25 -1.00 0.00 0.00 179.01 178.81 2wpw n THR 34 N -4.39 2.35 -2.97 1.13 -2.24 -0.74 -5.03 114.28 102.39 2wpw n THR 34 Ca 0.06 -2.47 0.00 0.00 -2.27 0.00 0.00 64.05 59.37 2wpw n THR 34 Cb 0.09 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 2wpw n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wpw n GLY 35 N -0.99 2.76 3.53 3.38 0.00 -0.97 -5.09 105.19 107.81 2wpw n GLY 35 Ca 0.26 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 2wpw n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wpw n PRO 36 N -0.54 -0.56 -1.85 1.61 -0.02 -1.26 -4.90 135.00 127.49 2wpw n PRO 36 Ca 0.00 -0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 60.95 2wpw n PRO 36 Cb 0.00 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 2wpw n PRO 36 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2wpw s ARG 37 N -4.12 4.18 -0.05 -0.52 3.52 -1.26 -4.96 118.95 115.73 2wpw s ARG 37 Ca 0.62 2.45 -0.29 0.00 -0.13 0.00 0.00 55.73 58.37 2wpw s ARG 37 Cb -0.22 -3.36 0.11 0.00 -1.56 0.00 0.00 34.95 29.92 2wpw s ARG 37 CO 0.63 -0.72 0.92 0.00 -0.81 0.00 0.00 175.30 175.32 2wpw s ALA 38 N 1.93 -1.86 0.26 6.12 0.00 -1.26 -5.12 121.76 121.83 2wpw s ALA 38 Ca 0.74 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 53.59 2wpw s ALA 38 Cb -0.44 0.12 -0.10 0.00 0.00 0.00 0.00 23.12 22.70 2wpw s ALA 38 CO 0.33 -0.59 1.34 0.00 0.00 0.00 0.00 175.76 176.84 2wpw s ALA 39 N -2.56 3.55 0.64 0.00 0.00 -1.26 -4.96 121.76 117.16 2wpw s ALA 39 Ca 0.03 1.22 -0.18 0.00 0.00 0.00 0.00 51.96 53.03 2wpw s ALA 39 Cb -0.01 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 2wpw s ALA 39 CO -0.06 -0.62 1.29 -2.14 0.00 0.00 0.00 175.76 174.23 2wpw s PRO 40 N -0.77 2.60 0.34 0.00 0.02 -1.26 -4.91 135.00 131.03 2wpw s PRO 40 Ca 0.55 2.06 -0.26 0.00 0.02 0.00 0.00 61.00 63.36 2wpw s PRO 40 Cb -0.39 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.13 2wpw s PRO 40 CO 0.45 -1.56 0.90 -2.30 -0.33 0.00 0.00 177.00 174.16 2wpw n PRO 41 N -1.85 1.14 -3.80 5.54 -0.02 -1.26 -4.89 135.00 129.86 2wpw n PRO 41 Ca 0.16 0.41 -0.37 0.00 -2.02 0.00 0.00 63.50 61.67 2wpw n PRO 41 Cb 0.48 -1.79 -0.13 0.00 -0.02 0.00 0.00 33.50 32.04 2wpw n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wpw h ASN 43 N 8.19 0.87 -0.17 0.00 2.35 -1.99 -0.46 115.58 124.37 2wpw h ASN 43 Ca -0.33 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2wpw h ASN 43 Cb 1.13 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 2wpw h ASN 43 CO 0.60 0.62 0.11 0.58 -1.65 0.00 0.00 177.43 177.69 2wpw h VAL 44 N 1.02 1.05 0.00 2.81 2.07 -1.94 0.15 116.25 121.41 2wpw h VAL 44 Ca 0.28 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2wpw h VAL 44 Cb -0.09 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2wpw h VAL 44 CO -0.07 0.05 0.00 -0.67 0.02 0.00 0.00 177.57 176.90 2wpw n ASP 45 N -4.96 0.00 0.00 0.57 4.64 -0.18 -0.92 116.55 115.70 2wpw n ASP 45 Ca -0.04 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.37 2wpw n ASP 45 Cb 0.03 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.11 2wpw n ASP 45 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 2wpw n VAL 47 N -0.38 0.00 -0.21 5.18 0.31 0.51 -0.76 118.33 122.98 2wpw n VAL 47 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 2wpw n VAL 47 Cb 0.00 0.00 0.37 0.00 -0.91 0.00 0.00 33.84 33.30 2wpw n VAL 47 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2wpw h GLY 48 N 0.00 1.03 1.40 2.92 0.00 -1.19 -0.86 103.07 106.36 2wpw h GLY 48 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2wpw h GLY 48 CO 0.00 0.17 0.00 -1.14 0.00 0.00 0.00 176.54 175.57 2wpw n SER 49 N -4.51 0.00 -0.04 0.19 3.41 0.07 -0.72 113.62 112.02 2wpw n SER 49 Ca 0.13 -0.14 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 2wpw n SER 49 Cb 0.34 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 63.98 2wpw n SER 49 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wpw n LEU 50 N -1.20 1.08 -0.02 1.04 4.77 -0.33 -4.51 117.00 117.82 2wpw n LEU 50 Ca 0.10 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 2wpw n LEU 50 Cb 0.11 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 2wpw n LEU 50 CO 0.12 0.26 -0.68 0.54 -1.33 0.00 0.00 177.39 176.30 2wpw n ARG 51 N -1.38 1.53 -3.95 3.23 1.74 0.10 -4.58 116.66 113.36 2wpw n ARG 51 Ca 0.04 -0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 2wpw n ARG 51 Cb 0.34 -1.20 -0.16 0.00 -1.02 0.00 0.00 32.46 30.42 2wpw n ARG 51 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wpw s PHE 52 N -2.38 2.39 0.22 -1.55 0.40 -0.23 -5.12 117.98 111.71 2wpw s PHE 52 Ca -0.04 -1.69 0.05 0.00 -0.60 0.00 0.00 56.93 54.65 2wpw s PHE 52 Cb 0.04 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 2wpw s PHE 52 CO 0.34 -0.76 0.29 0.00 0.70 0.00 0.00 175.22 175.79 2wpw s ALA 53 N 1.40 3.83 0.85 5.36 0.00 -1.26 -4.65 121.76 127.29 2wpw s ALA 53 Ca -0.04 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.57 2wpw s ALA 53 Cb -0.18 -1.62 0.10 0.00 0.00 0.00 0.00 23.12 21.42 2wpw s ALA 53 CO -0.07 0.32 1.09 -1.25 0.00 0.00 0.00 175.76 175.85 2wpw s PRO 54 N -3.75 1.67 0.70 0.00 0.04 -1.26 -4.94 135.00 127.46 2wpw s PRO 54 Ca 0.34 0.86 -0.15 0.00 0.04 0.00 0.00 61.00 62.09 2wpw s PRO 54 Cb -0.09 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.62 2wpw s PRO 54 CO 0.28 -1.96 1.17 -1.25 0.04 0.00 0.00 177.00 175.27 2wpw s PRO 55 N -4.97 2.40 -1.43 0.56 0.04 -1.26 -3.77 135.00 126.57 2wpw s PRO 55 Ca 0.62 1.62 -0.03 0.00 0.04 0.00 0.00 61.00 63.25 2wpw s PRO 55 Cb -0.17 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.51 2wpw s PRO 55 CO 0.56 -1.60 0.54 0.00 0.04 0.00 0.00 177.00 176.54 2wpw n ALA 56 N -2.58 -1.89 -3.66 8.56 0.00 -1.26 -4.94 120.51 114.74 2wpw n ALA 56 Ca 0.12 -0.20 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 2wpw n ALA 56 Cb 0.51 -1.95 -0.07 0.00 0.00 0.00 0.00 19.45 17.94 2wpw n ALA 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wpw s THR 57 N -3.80 -0.40 -0.10 0.00 2.01 -1.25 -2.25 115.64 109.84 2wpw s THR 57 Ca 0.12 0.05 -0.09 0.00 0.31 0.00 0.00 61.69 62.08 2wpw s THR 57 Cb -0.06 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 2wpw s THR 57 CO 0.88 0.02 0.20 0.00 -0.69 0.00 0.00 174.62 175.03 2wpw s ALA 58 N 2.12 3.81 -0.17 7.40 0.00 -1.03 -4.70 121.76 129.20 2wpw s ALA 58 Ca -0.07 -0.54 -0.07 0.00 0.00 0.00 0.00 51.96 51.27 2wpw s ALA 58 Cb -0.09 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 2wpw s ALA 58 CO -0.17 0.53 0.07 -0.51 0.00 0.00 0.00 175.76 175.68 2wpw s LEU 59 N -0.85 3.88 -0.34 0.00 1.43 -1.26 0.22 118.68 121.76 2wpw s LEU 59 Ca 0.16 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 2wpw s LEU 59 Cb -0.13 -1.97 0.10 0.00 0.03 0.00 0.00 46.19 44.22 2wpw s LEU 59 CO 0.06 0.22 0.08 -0.62 0.23 0.00 0.00 176.35 176.32 2wpw s ASP 60 N 0.09 4.45 -0.05 2.29 -1.08 0.25 -4.99 116.67 117.62 2wpw s ASP 60 Ca 0.06 -2.02 0.04 0.00 -0.52 0.00 0.00 52.55 50.11 2wpw s ASP 60 Cb -0.12 -1.33 -0.02 0.00 -1.46 0.00 0.00 42.92 39.98 2wpw s ASP 60 CO 0.01 -0.38 -0.16 -1.81 0.52 0.00 0.00 175.17 173.34 2wpw s ASP 61 N 1.10 3.89 0.13 -0.34 1.01 -1.26 -1.35 116.67 119.84 2wpw s ASP 61 Ca 0.11 -0.24 -0.03 0.00 0.71 0.00 0.00 52.55 53.10 2wpw s ASP 61 Cb -0.19 -0.81 -0.03 0.00 1.01 0.00 0.00 42.92 42.90 2wpw s ASP 61 CO -0.14 0.33 0.10 0.26 0.21 0.00 0.00 175.17 175.93 2wpw s TRP 62 N -0.66 0.70 0.02 4.23 0.52 0.94 -0.88 118.94 123.80 2wpw s TRP 62 Ca 0.10 -1.09 0.00 0.00 0.02 0.00 0.00 56.10 55.13 2wpw s TRP 62 Cb -0.11 -0.37 -0.02 0.00 -1.15 0.00 0.00 33.47 31.83 2wpw s TRP 62 CO 0.01 -0.55 -0.03 0.08 0.02 0.00 0.00 176.95 176.48 2wpw s VAL 63 N -4.01 0.12 0.01 4.03 1.01 0.51 -1.65 120.40 120.41 2wpw s VAL 63 Ca 0.20 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.40 2wpw s VAL 63 Cb 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 2wpw s VAL 63 CO -0.00 -0.46 -0.25 0.54 0.00 0.00 0.00 175.10 174.92 2wpw s VAL 64 N -1.37 1.98 0.06 2.92 0.11 -0.55 -1.08 120.40 122.48 2wpw s VAL 64 Ca -0.15 -1.17 0.03 0.00 -2.93 0.00 0.00 61.98 57.76 2wpw s VAL 64 Cb -0.09 -1.67 -0.03 0.00 -1.53 0.00 0.00 36.38 33.06 2wpw s VAL 64 CO -0.01 0.47 -0.10 0.00 -3.33 0.00 0.00 175.10 172.13 2wpw s ARG 65 N -0.83 0.68 -0.24 1.54 1.70 -0.02 -0.25 118.95 121.52 2wpw s ARG 65 Ca 0.10 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.44 2wpw s ARG 65 Cb -0.10 -0.45 0.04 0.00 -0.57 0.00 0.00 34.95 33.87 2wpw s ARG 65 CO 0.00 0.08 -0.09 0.45 -1.08 0.00 0.00 175.30 174.66 2wpw s SER 66 N -1.90 4.20 -1.24 -2.89 0.15 -0.50 -0.42 113.70 111.11 2wpw s SER 66 Ca -0.04 -1.03 -0.09 0.00 0.70 0.00 0.00 55.95 55.50 2wpw s SER 66 Cb -0.07 -1.60 -0.01 0.00 -1.71 0.00 0.00 66.02 62.62 2wpw s SER 66 CO 0.00 -0.14 0.70 0.61 1.20 0.00 0.00 173.24 175.62 2wpw n GLY 67 N 4.59 -0.63 2.45 9.45 0.00 -1.26 -3.07 105.19 116.72 2wpw n GLY 67 Ca -0.16 0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 2wpw n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wpw n GLY 68 N -1.67 -0.28 2.94 -0.02 0.00 -1.26 -5.00 105.19 99.91 2wpw n GLY 68 Ca -0.20 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 2wpw n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wpw s ARG 69 N -5.03 0.11 -0.06 1.61 3.52 -1.17 -5.10 118.95 112.83 2wpw s ARG 69 Ca 0.08 0.46 -0.29 0.00 -0.13 0.00 0.00 55.73 55.85 2wpw s ARG 69 Cb -0.04 -0.17 -0.07 0.00 -1.56 0.00 0.00 34.95 33.11 2wpw s ARG 69 CO 0.10 -0.19 1.97 0.08 -0.81 0.00 0.00 175.30 176.45 2wpw s VAL 70 N 1.43 3.13 -0.33 7.11 1.01 -1.26 -1.41 120.40 130.08 2wpw s VAL 70 Ca -0.07 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2wpw s VAL 70 Cb -0.11 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.16 2wpw s VAL 70 CO -0.07 -0.04 0.50 1.33 0.00 0.00 0.00 175.10 176.83 2wpw n VAL 71 N 6.16 0.00 -3.89 2.92 0.24 0.65 -4.93 118.33 119.48 2wpw n VAL 71 Ca 0.22 -0.49 0.01 0.00 -2.04 0.00 0.00 64.34 62.04 2wpw n VAL 71 Cb 0.43 1.05 0.01 0.00 -1.47 0.00 0.00 33.84 33.86 2wpw n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wpw n GLY 72 N 0.35 0.49 3.58 7.63 0.00 -1.01 -1.28 105.19 114.95 2wpw n GLY 72 Ca 0.02 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 2wpw n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wpw s ALA 73 N -1.69 -1.77 -0.04 4.61 0.00 -0.37 -1.48 121.76 121.02 2wpw s ALA 73 Ca 0.19 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.88 2wpw s ALA 73 Cb -0.01 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.45 2wpw s ALA 73 CO 0.01 -0.35 -0.01 -1.17 0.00 0.00 0.00 175.76 174.24 2wpw s LEU 74 N -0.28 1.06 -0.08 0.00 2.96 -0.66 -1.63 118.68 120.05 2wpw s LEU 74 Ca -0.05 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2wpw s LEU 74 Cb -0.03 -0.31 0.01 0.00 0.50 0.00 0.00 46.19 46.36 2wpw s LEU 74 CO 0.05 -0.11 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.66 2wpw s ARG 75 N 1.20 2.37 0.20 1.98 0.52 -0.37 -0.04 118.95 124.81 2wpw s ARG 75 Ca -0.07 -0.64 0.11 0.00 -0.52 0.00 0.00 55.73 54.61 2wpw s ARG 75 Cb -0.13 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 2wpw s ARG 75 CO -0.02 0.09 -0.22 -0.51 0.02 0.00 0.00 175.30 174.67 2wpw s LEU 76 N 0.53 2.51 -0.12 2.53 1.43 -0.46 -1.55 118.68 123.56 2wpw s LEU 76 Ca -0.16 -0.84 -0.00 0.00 -1.03 0.00 0.00 54.13 52.09 2wpw s LEU 76 Cb -0.17 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 44.85 2wpw s LEU 76 CO 0.06 0.11 -0.07 0.00 0.23 0.00 0.00 176.35 176.68 2wpw s ALA 77 N -1.73 1.35 -0.47 4.21 0.00 -0.70 -0.59 121.76 123.83 2wpw s ALA 77 Ca 0.22 -0.58 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 2wpw s ALA 77 Cb -0.08 -0.93 0.12 0.00 0.00 0.00 0.00 23.12 22.23 2wpw s ALA 77 CO 0.11 -0.45 0.34 -0.51 0.00 0.00 0.00 175.76 175.24 2wpw s LEU 78 N 1.70 5.66 0.25 0.00 2.01 0.13 -2.05 118.68 126.39 2wpw s LEU 78 Ca 0.05 -1.95 -0.30 0.00 0.01 0.00 0.00 54.13 51.94 2wpw s LEU 78 Cb -0.13 -1.99 -0.11 0.00 0.01 0.00 0.00 46.19 43.97 2wpw s LEU 78 CO -0.08 -0.68 1.51 -2.16 1.01 0.00 0.00 176.35 175.95 2wpw s PRO 79 N 1.31 4.21 0.37 1.29 0.04 -1.26 -2.46 135.00 138.50 2wpw s PRO 79 Ca 0.06 2.41 -0.26 0.00 0.04 0.00 0.00 61.00 63.25 2wpw s PRO 79 Cb -0.26 -3.08 -0.12 0.00 0.04 0.00 0.00 34.50 31.08 2wpw s PRO 79 CO -0.01 -0.52 1.05 -0.25 0.04 0.00 0.00 177.00 177.31 2wpw n ASP 80 N 2.48 1.48 0.00 6.66 8.00 -0.95 -2.89 116.55 131.32 2wpw n ASP 80 Ca 0.08 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.68 2wpw n ASP 80 Cb 0.39 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 2wpw n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wpw n GLY 81 N 1.14 1.59 3.87 0.44 0.00 -1.26 -4.99 105.19 105.97 2wpw n GLY 81 Ca 0.09 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2wpw n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wpw s ALA 82 N -0.13 3.12 -0.38 4.61 0.00 -1.14 -4.95 121.76 122.89 2wpw s ALA 82 Ca 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 51.96 51.93 2wpw s ALA 82 Cb 0.00 -3.05 0.56 0.00 0.00 0.00 0.00 23.12 20.63 2wpw s ALA 82 CO 0.00 -0.63 1.57 -0.35 0.00 0.00 0.00 175.76 176.35 2wpw n PRO 83 N -2.63 2.93 -4.36 0.00 -0.04 -1.26 -4.88 135.00 124.76 2wpw n PRO 83 Ca 0.06 -2.32 -0.28 0.00 -0.04 0.00 0.00 63.50 60.92 2wpw n PRO 83 Cb 0.54 -1.98 -0.11 0.00 -0.04 0.00 0.00 33.50 31.90 2wpw n PRO 83 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2wpw s THR 84 N -2.41 2.65 -0.16 0.52 2.01 -1.26 -1.16 115.64 115.82 2wpw s THR 84 Ca 0.42 -1.77 0.01 0.00 0.31 0.00 0.00 61.69 60.65 2wpw s THR 84 Cb 0.34 -2.25 0.02 0.00 0.01 0.00 0.00 72.50 70.62 2wpw s THR 84 CO 0.10 -0.03 -0.17 0.00 -0.69 0.00 0.00 174.62 173.83 2wpw s ALA 85 N -1.45 2.08 -0.15 7.40 0.00 -0.09 -4.38 121.76 125.17 2wpw s ALA 85 Ca 0.20 -1.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 2wpw s ALA 85 Cb -0.09 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 2wpw s ALA 85 CO 0.10 -0.38 0.59 0.50 0.00 0.00 0.00 175.76 176.58 2wpw s ARG 86 N 1.39 4.28 -0.85 0.00 3.52 -0.87 -1.89 118.95 124.54 2wpw s ARG 86 Ca 0.05 0.60 -0.23 0.00 -0.13 0.00 0.00 55.73 56.01 2wpw s ARG 86 Cb -0.13 -3.52 0.06 0.00 -1.56 0.00 0.00 34.95 29.81 2wpw s ARG 86 CO -0.12 -0.07 1.25 0.08 -0.81 0.00 0.00 175.30 175.63 2wpw s VAL 87 N 1.35 4.07 0.17 7.11 1.01 0.81 -1.72 120.40 133.20 2wpw s VAL 87 Ca 0.29 -0.46 0.22 0.00 0.00 0.00 0.00 61.98 62.02 2wpw s VAL 87 Cb -0.16 -4.90 0.19 0.00 0.00 0.00 0.00 36.38 31.52 2wpw s VAL 87 CO 0.12 -1.75 1.80 0.44 0.00 0.00 0.00 175.10 175.70 2wpw h ASP 88 N 9.66 0.00 -3.53 3.32 3.45 -1.59 -3.42 116.42 124.32 2wpw h ASP 88 Ca -0.05 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.39 2wpw h ASP 88 Cb 1.04 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 39.59 2wpw h ASP 88 CO 1.28 0.28 0.04 -1.58 -1.57 0.00 0.00 179.24 177.69 2wpw s GLN 89 N -3.67 0.74 -0.29 3.56 0.74 -1.05 -4.91 119.66 114.77 2wpw s GLN 89 Ca 0.00 1.06 0.02 0.00 0.05 0.00 0.00 55.36 56.49 2wpw s GLN 89 Cb 0.11 0.26 0.16 0.00 1.10 0.00 0.00 33.01 34.64 2wpw s GLN 89 CO 0.66 -0.12 0.42 -1.17 -0.55 0.00 0.00 175.29 174.53 2wpw s LEU 90 N 0.95 -0.84 -0.05 3.68 0.20 -1.25 -1.24 118.68 120.14 2wpw s LEU 90 Ca -0.05 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.43 2wpw s LEU 90 Cb -0.05 1.16 0.02 0.00 -0.43 0.00 0.00 46.19 46.89 2wpw s LEU 90 CO -0.09 -0.35 -0.06 -0.22 -0.29 0.00 0.00 176.35 175.34 2wpw s LEU 91 N 2.55 1.40 -0.12 -0.68 2.96 -0.65 -4.99 118.68 119.16 2wpw s LEU 91 Ca 0.10 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2wpw s LEU 91 Cb -0.12 -0.55 -0.01 0.00 0.50 0.00 0.00 46.19 46.01 2wpw s LEU 91 CO -0.30 -0.03 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.83 2wpw s VAL 92 N 0.87 2.59 -0.00 1.68 1.01 -1.26 -1.24 120.40 124.04 2wpw s VAL 92 Ca -0.12 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.77 2wpw s VAL 92 Cb -0.15 -2.05 -0.14 0.00 0.00 0.00 0.00 36.38 34.05 2wpw s VAL 92 CO 0.01 0.54 0.73 1.57 0.00 0.00 0.00 175.10 177.95 2wpw n HIS 93 N 3.58 0.44 0.31 5.22 -0.00 -0.40 -4.78 115.22 119.58 2wpw n HIS 93 Ca -0.19 0.72 0.20 0.00 0.46 0.00 0.00 57.72 58.91 2wpw n HIS 93 Cb 0.53 -1.42 0.96 0.00 -0.12 0.00 0.00 29.99 29.94 2wpw n HIS 93 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2wpw h PRO 94 N 2.04 0.00 -0.05 1.57 0.13 -1.91 -0.46 132.00 133.33 2wpw h PRO 94 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2wpw h PRO 94 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2wpw h PRO 94 CO 0.44 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 2wpw n GLY 95 N -0.61 0.08 1.21 1.56 0.00 -1.26 -4.13 105.19 102.04 2wpw n GLY 95 Ca -0.01 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.60 2wpw n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wpw n ARG 96 N 0.23 0.61 -2.59 1.61 1.74 -0.18 -5.09 116.66 112.99 2wpw n ARG 96 Ca 0.18 -2.50 -0.27 0.00 -0.77 0.00 0.00 57.85 54.50 2wpw n ARG 96 Cb 0.36 -0.61 0.01 0.00 -1.02 0.00 0.00 32.46 31.20 2wpw n ARG 96 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wpw s ARG 97 N -1.22 3.25 -0.52 5.56 1.81 -1.23 -4.33 118.95 122.27 2wpw s ARG 97 Ca 0.35 0.04 0.00 0.00 -1.72 0.00 0.00 55.73 54.40 2wpw s ARG 97 Cb 0.38 -2.36 0.00 0.00 -0.45 0.00 0.00 34.95 32.52 2wpw s ARG 97 CO -0.13 -0.40 0.00 0.54 -0.68 0.00 0.00 175.30 174.63 2wpw n ARG 98 N -2.36 -0.43 0.00 3.54 5.12 -1.26 -4.87 116.66 116.41 2wpw n ARG 98 Ca 0.02 0.42 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 2wpw n ARG 98 Cb 0.56 -4.21 0.00 0.00 -1.16 0.00 0.00 32.46 27.66 2wpw n ARG 98 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wpw n ARG 99 N -2.00 1.98 0.00 5.56 1.74 -1.26 -5.01 116.66 117.67 2wpw n ARG 99 Ca -0.06 -0.32 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 2wpw n ARG 99 Cb 0.42 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 31.04 2wpw n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wpw n GLY 100 N 0.37 0.77 0.08 -0.13 0.00 -1.26 -5.01 105.19 100.01 2wpw n GLY 100 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2wpw n GLY 100 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wpw h ILE 101 N 0.00 0.93 -0.52 -0.61 2.04 -1.95 -1.75 117.51 115.65 2wpw h ILE 101 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 2wpw h ILE 101 Cb 0.00 0.93 -0.10 0.00 -0.74 0.00 0.00 36.82 36.91 2wpw h ILE 101 CO 0.00 0.00 -0.49 1.23 0.00 0.00 0.00 178.15 178.89 2wpw h GLY 102 N -0.10 -0.70 -0.01 5.37 0.00 -1.94 0.17 103.07 105.86 2wpw h GLY 102 Ca -0.01 0.64 0.08 0.00 0.00 0.00 0.00 47.33 48.04 2wpw h GLY 102 CO 0.01 -0.13 -0.22 -0.09 0.00 0.00 0.00 176.54 176.11 2wpw h ARG 103 N -0.29 -0.14 -0.29 4.80 2.43 -1.95 0.75 114.38 119.69 2wpw h ARG 103 Ca 0.13 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2wpw h ARG 103 Cb 0.57 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2wpw h ARG 103 CO -0.66 -0.10 0.19 0.00 -1.51 0.00 0.00 179.97 177.90 2wpw h ALA 104 N 1.08 0.37 -0.90 2.80 0.00 -0.34 0.84 119.26 123.10 2wpw h ALA 104 Ca 0.19 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.24 2wpw h ALA 104 Cb 0.45 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 2wpw h ALA 104 CO -0.49 -0.16 0.49 -0.07 0.00 0.00 0.00 179.25 179.03 2wpw h LEU 105 N 0.38 0.60 -0.58 0.00 3.38 -0.22 -0.96 115.31 117.92 2wpw h LEU 105 Ca 0.11 0.10 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 2wpw h LEU 105 Cb -0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2wpw h LEU 105 CO -0.02 0.23 -0.59 -0.25 0.09 0.00 0.00 178.44 177.90 2wpw h TRP 106 N 0.66 0.50 -0.65 1.13 2.91 0.13 -1.04 115.95 119.59 2wpw h TRP 106 Ca 0.50 -0.19 -0.05 0.00 1.13 0.00 0.00 58.89 60.28 2wpw h TRP 106 Cb 0.74 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.27 2wpw h TRP 106 CO -0.07 0.88 0.19 0.00 -1.03 0.00 0.00 178.44 178.42 2wpw h ALA 107 N 1.07 0.86 -0.24 2.65 0.00 0.13 -1.44 119.26 122.29 2wpw h ALA 107 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2wpw h ALA 107 Cb 1.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2wpw h ALA 107 CO 0.10 0.54 0.13 1.25 0.00 0.00 0.00 179.25 181.27 2wpw h HIS 108 N 0.95 0.34 -0.37 0.00 -0.00 -0.47 -0.86 115.15 114.74 2wpw h HIS 108 Ca 0.21 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.64 2wpw h HIS 108 Cb 0.31 -0.11 -0.09 0.00 -0.00 0.00 0.00 27.41 27.52 2wpw h HIS 108 CO 0.02 0.31 -0.39 0.00 -0.00 0.00 0.00 177.93 177.88 2wpw h ALA 109 N 1.00 -0.35 -0.75 5.26 0.00 -0.95 0.54 119.26 124.01 2wpw h ALA 109 Ca 0.09 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2wpw h ALA 109 Cb 0.09 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2wpw h ALA 109 CO -0.01 -0.82 0.49 0.00 0.00 0.00 0.00 179.25 178.91 2wpw h ARG 110 N -0.32 0.77 -0.39 0.00 3.08 -0.98 0.32 114.38 116.85 2wpw h ARG 110 Ca 0.14 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.99 2wpw h ARG 110 Cb 0.57 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2wpw h ARG 110 CO -0.54 0.51 -0.36 1.49 -1.07 0.00 0.00 179.97 180.00 2wpw h GLU 111 N 0.79 0.92 -0.38 0.04 4.81 -0.32 -0.51 114.58 119.93 2wpw h GLU 111 Ca 0.32 -0.47 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 2wpw h GLU 111 Cb 0.25 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2wpw h GLU 111 CO -0.11 1.13 0.04 -0.07 -0.73 0.00 0.00 179.01 179.27 2wpw h LEU 112 N 0.76 0.63 -0.67 1.64 3.38 0.87 -0.53 115.31 121.38 2wpw h LEU 112 Ca 0.07 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.80 2wpw h LEU 112 Cb 0.95 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 2wpw h LEU 112 CO 0.09 0.74 0.41 0.00 0.09 0.00 0.00 178.44 179.77 2wpw h ALA 113 N 0.90 0.88 -0.65 1.53 0.00 -0.31 -1.90 119.26 119.72 2wpw h ALA 113 Ca 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2wpw h ALA 113 Cb 0.40 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2wpw h ALA 113 CO 0.01 0.15 0.09 -0.09 0.00 0.00 0.00 179.25 179.41 2wpw h ARG 114 N 0.79 1.09 -0.08 0.00 2.43 -0.84 0.13 114.38 117.90 2wpw h ARG 114 Ca 0.28 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2wpw h ARG 114 Cb 0.06 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2wpw h ARG 114 CO -0.12 1.01 -0.11 -0.22 -1.51 0.00 0.00 179.97 179.02 2wpw h LYS 115 N 1.01 0.13 -0.65 0.20 3.64 -0.48 -2.76 116.57 117.65 2wpw h LYS 115 Ca 0.20 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2wpw h LYS 115 Cb 0.46 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2wpw h LYS 115 CO 0.02 0.24 0.00 0.72 -2.27 0.00 0.00 179.45 178.16 2wpw n HIS 116 N -4.34 1.48 -3.60 1.91 8.25 -0.63 -4.89 115.22 113.40 2wpw n HIS 116 Ca -0.01 -0.54 -0.23 0.00 -0.26 0.00 0.00 57.72 56.67 2wpw n HIS 116 Cb 0.22 -0.33 0.08 0.00 1.12 0.00 0.00 29.99 31.08 2wpw n HIS 116 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2wpw n ASP 117 N 0.70 -5.47 -4.49 0.41 10.43 -1.04 -5.02 116.55 112.08 2wpw n ASP 117 Ca 0.22 -0.58 -0.33 0.00 2.57 0.00 0.00 54.79 56.67 2wpw n ASP 117 Cb 0.90 -4.93 -0.12 0.00 1.84 0.00 0.00 41.12 38.80 2wpw n ASP 117 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 2wpw s ARG 118 N -6.19 3.20 0.07 -1.24 3.00 -0.06 -4.80 118.95 112.94 2wpw s ARG 118 Ca 0.49 -0.58 0.17 0.00 0.00 0.00 0.00 55.73 55.81 2wpw s ARG 118 Cb -0.22 -2.70 -0.12 0.00 0.00 0.00 0.00 34.95 31.91 2wpw s ARG 118 CO 0.74 0.41 0.85 1.79 0.00 0.00 0.00 175.30 179.09 2wpw h THR 119 N 4.84 0.48 -3.75 0.02 1.35 -1.43 -3.37 112.91 111.05 2wpw h THR 119 Ca -0.37 -1.94 -0.38 0.00 -0.55 0.00 0.00 66.41 63.17 2wpw h THR 119 Cb 1.19 2.01 -0.19 0.00 -1.73 0.00 0.00 68.15 69.43 2wpw h THR 119 CO 0.57 0.27 -0.76 0.42 -0.25 0.00 0.00 175.52 175.77 2wpw s THR 120 N -2.95 1.12 0.03 6.82 -4.23 -1.10 -0.00 115.64 115.34 2wpw s THR 120 Ca -0.03 -1.55 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 2wpw s THR 120 Cb 0.09 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.58 2wpw s THR 120 CO 0.81 -0.40 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.65 2wpw s LEU 121 N -2.20 3.12 0.04 4.79 1.02 0.15 -0.91 118.68 124.69 2wpw s LEU 121 Ca 0.04 -0.22 0.06 0.00 0.02 0.00 0.00 54.13 54.03 2wpw s LEU 121 Cb -0.06 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.30 2wpw s LEU 121 CO 0.02 0.25 -0.18 0.42 0.02 0.00 0.00 176.35 176.88 2wpw s THR 122 N -1.06 1.44 -0.00 5.49 -4.23 -0.79 -0.57 115.64 115.91 2wpw s THR 122 Ca 0.19 -1.11 -0.11 0.00 -1.18 0.00 0.00 61.69 59.47 2wpw s THR 122 Cb -0.11 -1.27 0.01 0.00 1.34 0.00 0.00 72.50 72.47 2wpw s THR 122 CO 0.10 0.12 0.22 0.00 -0.54 0.00 0.00 174.62 174.52 2wpw s ALA 123 N -0.82 -0.56 -0.27 3.99 0.00 -0.56 -0.13 121.76 123.42 2wpw s ALA 123 Ca 0.05 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.00 2wpw s ALA 123 Cb -0.08 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 2wpw s ALA 123 CO 0.02 -0.24 0.16 0.99 0.00 0.00 0.00 175.76 176.69 2wpw s THR 124 N -1.36 5.14 -0.11 0.00 2.01 -1.26 -0.60 115.64 119.46 2wpw s THR 124 Ca -0.14 0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2wpw s THR 124 Cb -0.06 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 2wpw s THR 124 CO 0.03 0.28 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.44 2wpw s VAL 125 N 1.60 3.23 -0.20 3.82 1.01 0.13 -4.88 120.40 125.10 2wpw s VAL 125 Ca 0.07 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 2wpw s VAL 125 Cb -0.15 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.89 2wpw s VAL 125 CO 0.09 0.54 0.98 -0.69 0.00 0.00 0.00 175.10 176.02 2wpw s VAL 126 N -0.03 4.75 0.36 2.92 1.01 -1.26 -0.52 120.40 127.63 2wpw s VAL 126 Ca -0.02 1.92 0.05 0.00 0.00 0.00 0.00 61.98 63.92 2wpw s VAL 126 Cb -0.14 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2wpw s VAL 126 CO 0.04 -0.10 0.19 -1.61 0.00 0.00 0.00 175.10 173.61 2wpw s GLU 127 N 2.78 1.80 0.59 2.72 2.02 0.05 -4.76 118.70 123.89 2wpw s GLU 127 Ca 0.43 -2.07 -0.15 0.00 0.02 0.00 0.00 54.97 53.21 2wpw s GLU 127 Cb -0.16 -0.18 -0.04 0.00 0.10 0.00 0.00 34.13 33.85 2wpw s GLU 127 CO 0.09 -0.53 1.03 -1.12 0.02 0.00 0.00 175.26 174.75 2wpw s SER 128 N -3.48 6.05 -0.19 -0.19 0.01 -1.26 0.16 113.70 114.80 2wpw s SER 128 Ca 0.32 1.65 -0.01 0.00 1.31 0.00 0.00 55.95 59.22 2wpw s SER 128 Cb 0.03 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.75 2wpw s SER 128 CO 0.19 -0.98 -0.13 -0.22 0.41 0.00 0.00 173.24 172.51 2wpw s LEU 129 N -4.62 2.49 0.00 2.44 2.96 -1.26 -4.53 118.68 116.16 2wpw s LEU 129 Ca 0.60 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.99 2wpw s LEU 129 Cb -0.13 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.96 2wpw s LEU 129 CO 0.40 -0.00 0.00 -2.65 -1.32 0.00 0.00 176.35 172.78 2wpw n PRO 130 N 4.64 0.00 -0.10 0.98 -0.02 -1.26 0.56 135.00 139.80 2wpw n PRO 130 Ca -0.20 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.15 2wpw n PRO 130 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.88 2wpw n PRO 130 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2wpw n SER 131 N -3.08 2.08 -4.55 2.55 3.41 -1.26 -5.04 113.62 107.73 2wpw n SER 131 Ca 0.00 -0.09 -0.29 0.00 -0.26 0.00 0.00 58.87 58.23 2wpw n SER 131 Cb 0.00 -0.11 0.17 0.00 -0.26 0.00 0.00 64.21 64.00 2wpw n SER 131 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2wpw s GLY 132 N -5.89 1.59 0.31 5.00 0.00 0.19 -4.91 107.32 103.62 2wpw s GLY 132 Ca -0.25 -0.62 -0.29 0.00 0.00 0.00 0.00 44.72 43.56 2wpw s GLY 132 CO 0.53 0.02 1.39 -1.55 0.00 0.00 0.00 173.10 173.49 2wpw n PRO 133 N -4.02 2.27 -1.64 2.90 -0.04 -1.26 -4.44 135.00 128.76 2wpw n PRO 133 Ca 0.08 0.80 -0.44 0.00 -0.04 0.00 0.00 63.50 63.89 2wpw n PRO 133 Cb 0.59 -2.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.58 2wpw n PRO 133 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wpw n ALA 134 N 1.00 0.41 -2.70 0.55 0.00 -1.26 -4.65 120.51 113.86 2wpw n ALA 134 Ca 0.06 0.39 -0.26 0.00 0.00 0.00 0.00 53.44 53.64 2wpw n ALA 134 Cb 0.35 -2.14 -0.07 0.00 0.00 0.00 0.00 19.45 17.60 2wpw n ALA 134 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wpw s GLN 135 N -1.31 2.52 0.00 0.00 -1.52 -1.26 -5.01 119.66 113.08 2wpw s GLN 135 Ca 0.61 -1.09 -0.34 0.00 -1.95 0.00 0.00 55.36 52.59 2wpw s GLN 135 Cb -0.67 -2.41 -0.12 0.00 -0.22 0.00 0.00 33.01 29.59 2wpw s GLN 135 CO 0.58 0.45 1.77 -3.47 -0.25 0.00 0.00 175.29 174.37 2wpw n ASP 136 N -0.31 3.32 -0.43 5.90 4.64 -1.26 -4.80 116.55 123.61 2wpw n ASP 136 Ca -0.09 1.01 0.13 0.00 -1.38 0.00 0.00 54.79 54.47 2wpw n ASP 136 Cb 0.56 -1.39 0.54 0.00 -1.04 0.00 0.00 41.12 39.78 2wpw n ASP 136 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2wpw n PRO 137 N 5.48 1.59 -0.16 -0.67 -0.04 -1.26 -4.24 135.00 135.70 2wpw n PRO 137 Ca 0.21 -0.87 -0.06 0.00 -0.04 0.00 0.00 63.50 62.74 2wpw n PRO 137 Cb 0.29 -1.46 0.03 0.00 -0.04 0.00 0.00 33.50 32.33 2wpw n PRO 137 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2wpw h GLY 138 N 4.92 0.67 1.33 0.55 0.00 -1.95 -2.20 103.07 106.39 2wpw h GLY 138 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2wpw h GLY 138 CO 0.00 0.16 0.30 -2.55 0.00 0.00 0.00 176.54 174.45 2wpw h PRO 139 N 0.54 0.87 0.16 4.80 0.11 -1.89 -0.21 132.00 136.39 2wpw h PRO 139 Ca 0.20 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 2wpw h PRO 139 Cb 0.04 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.99 2wpw h PRO 139 CO -0.10 0.68 -0.08 0.00 -0.21 0.00 0.00 178.00 178.28 2wpw h ALA 140 N 1.46 -0.22 -0.80 -0.75 0.00 -1.78 -0.46 119.26 116.72 2wpw h ALA 140 Ca 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2wpw h ALA 140 Cb 0.09 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2wpw h ALA 140 CO -0.03 -0.63 0.43 0.00 0.00 0.00 0.00 179.25 179.03 2wpw h ALA 141 N 0.62 1.02 -0.48 0.00 0.00 -1.05 0.51 119.26 119.87 2wpw h ALA 141 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wpw h ALA 141 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2wpw h ALA 141 CO 0.03 0.54 0.32 0.35 0.00 0.00 0.00 179.25 180.49 2wpw h PHE 142 N 1.11 0.61 -0.09 0.00 3.57 -0.90 0.12 116.94 121.37 2wpw h PHE 142 Ca 0.28 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 2wpw h PHE 142 Cb 0.04 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 2wpw h PHE 142 CO 0.00 0.39 0.05 0.00 -2.23 0.00 0.00 178.31 176.52 2wpw h ALA 143 N 1.17 0.11 -0.58 2.41 0.00 0.57 -1.96 119.26 120.98 2wpw h ALA 143 Ca 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2wpw h ALA 143 Cb -0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2wpw h ALA 143 CO -0.04 -0.37 0.29 0.00 0.00 0.00 0.00 179.25 179.14 2wpw h ALA 144 N 0.98 1.42 0.00 0.00 0.00 0.11 -1.98 119.26 119.78 2wpw h ALA 144 Ca 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2wpw h ALA 144 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2wpw h ALA 144 CO -0.01 0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.68 2wpw n ALA 145 N -2.45 3.63 -2.10 0.00 0.00 0.41 -4.11 120.51 115.89 2wpw n ALA 145 Ca 0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 53.44 53.04 2wpw n ALA 145 Cb 0.12 -1.71 -0.01 0.00 0.00 0.00 0.00 19.45 17.85 2wpw n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wpw n GLY 147 N 2.05 0.75 3.92 0.00 0.00 -1.05 -5.07 105.19 105.79 2wpw n GLY 147 Ca 0.10 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2wpw n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wpw s ALA 148 N 0.00 3.20 0.02 4.61 0.00 -0.77 -4.79 121.76 124.03 2wpw s ALA 148 Ca 0.07 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 2wpw s ALA 148 Cb 0.08 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 2wpw s ALA 148 CO -0.03 -1.05 -0.01 -1.01 0.00 0.00 0.00 175.76 173.65 2wpw s HIS 149 N -3.14 0.22 0.13 0.00 0.09 -0.25 -4.38 115.29 107.97 2wpw s HIS 149 Ca 0.57 -0.45 -0.31 0.00 -0.00 0.00 0.00 55.06 54.87 2wpw s HIS 149 Cb -0.11 -0.16 -0.11 0.00 -0.00 0.00 0.00 32.58 32.21 2wpw s HIS 149 CO 0.45 -0.18 1.84 0.54 -0.00 0.00 0.00 174.74 177.39 2wpw n ARG 150 N 1.73 2.81 -1.89 1.40 1.74 -1.26 -1.30 116.66 119.89 2wpw n ARG 150 Ca -0.23 1.02 -0.30 0.00 -0.77 0.00 0.00 57.85 57.58 2wpw n ARG 150 Cb 0.56 -2.92 0.17 0.00 -1.02 0.00 0.00 32.46 29.25 2wpw n ARG 150 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2wpw s SER 151 N 2.63 3.24 0.00 0.55 1.04 0.20 -4.89 113.70 116.48 2wpw s SER 151 Ca 0.81 0.37 0.21 0.00 0.48 0.00 0.00 55.95 57.83 2wpw s SER 151 Cb -0.48 -0.49 0.53 0.00 0.10 0.00 0.00 66.02 65.69 2wpw s SER 151 CO 0.37 -2.66 1.45 -0.90 0.98 0.00 0.00 173.24 172.47 2wpw n ASP 152 N -3.74 2.81 -4.75 7.02 5.68 -1.26 -4.89 116.55 117.42 2wpw n ASP 152 Ca 0.14 -1.91 -0.41 0.00 -0.50 0.00 0.00 54.79 52.11 2wpw n ASP 152 Cb 0.60 -0.22 -0.03 0.00 -1.14 0.00 0.00 41.12 40.33 2wpw n ASP 152 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2wpw s ILE 153 N -1.55 2.94 0.51 2.12 1.01 -1.26 -4.96 121.20 120.00 2wpw s ILE 153 Ca 0.36 0.83 -0.23 0.00 0.00 0.00 0.00 60.65 61.61 2wpw s ILE 153 Cb 0.20 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 39.09 2wpw s ILE 153 CO 0.29 0.15 1.34 -2.16 0.00 0.00 0.00 174.94 174.55 2wpw s PRO 154 N -0.65 3.38 1.06 2.79 0.04 -1.26 -4.77 135.00 135.59 2wpw s PRO 154 Ca 0.55 2.19 -0.15 0.00 0.04 0.00 0.00 61.00 63.63 2wpw s PRO 154 Cb -0.39 -2.38 0.22 0.00 0.04 0.00 0.00 34.50 31.99 2wpw s PRO 154 CO 0.43 -0.98 1.13 0.00 0.04 0.00 0.00 177.00 177.62 2wpw s ALA 155 N -1.32 1.08 -0.10 8.56 0.00 -1.26 -4.72 121.76 124.00 2wpw s ALA 155 Ca 0.68 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 2wpw s ALA 155 Cb -0.39 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2wpw s ALA 155 CO 0.47 -3.01 0.17 0.20 0.00 0.00 0.00 175.76 173.60 2wpw s GLY 156 N -3.88 2.19 -0.41 0.00 0.00 -0.81 -0.42 107.32 104.00 2wpw s GLY 156 Ca 0.68 -0.61 -0.18 0.00 0.00 0.00 0.00 44.72 44.62 2wpw s GLY 156 CO 0.56 -0.35 0.46 -1.59 0.00 0.00 0.00 173.10 172.18 2wpw s THR 157 N -1.07 5.05 -0.23 0.90 2.01 0.88 -0.39 115.64 122.79 2wpw s THR 157 Ca 0.17 -0.23 -0.18 0.00 0.31 0.00 0.00 61.69 61.76 2wpw s THR 157 Cb -0.13 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2wpw s THR 157 CO 0.06 -0.41 0.53 -2.28 -0.69 0.00 0.00 174.62 171.83 2wpw s HIS 158 N 2.23 3.32 0.17 4.92 2.46 -0.64 -1.02 115.29 126.75 2wpw s HIS 158 Ca 0.14 0.73 0.10 0.00 0.47 0.00 0.00 55.06 56.50 2wpw s HIS 158 Cb -0.17 -2.71 -0.04 0.00 -0.13 0.00 0.00 32.58 29.53 2wpw s HIS 158 CO 0.14 -0.19 -0.21 -0.65 -2.47 0.00 0.00 174.74 171.36 2wpw s GLN 159 N 1.97 1.38 -0.04 2.88 -0.21 0.82 -0.86 119.66 125.60 2wpw s GLN 159 Ca 0.23 -1.45 0.04 0.00 0.02 0.00 0.00 55.36 54.21 2wpw s GLN 159 Cb -0.15 -1.58 -0.00 0.00 1.00 0.00 0.00 33.01 32.27 2wpw s GLN 159 CO 0.09 0.33 -0.17 -1.58 -2.12 0.00 0.00 175.29 171.84 2wpw s TRP 160 N -1.81 1.72 -0.22 0.91 0.52 -0.10 -1.89 118.94 118.08 2wpw s TRP 160 Ca 0.18 -0.49 -0.07 0.00 0.02 0.00 0.00 56.10 55.74 2wpw s TRP 160 Cb -0.07 -1.16 -0.03 0.00 -1.15 0.00 0.00 33.47 31.06 2wpw s TRP 160 CO 0.08 -0.16 0.06 -1.17 0.02 0.00 0.00 176.95 175.79 2wpw s LEU 161 N 0.01 3.55 -0.39 2.99 2.96 -0.01 0.74 118.68 128.52 2wpw s LEU 161 Ca -0.03 -0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.68 2wpw s LEU 161 Cb -0.11 -1.93 0.07 0.00 0.50 0.00 0.00 46.19 44.71 2wpw s LEU 161 CO 0.02 0.04 0.21 -0.62 -1.32 0.00 0.00 176.35 174.68 2wpw s ASP 162 N 1.18 5.53 0.42 3.68 -1.08 -1.26 -1.55 116.67 123.59 2wpw s ASP 162 Ca 0.04 -1.40 0.29 0.00 -0.52 0.00 0.00 52.55 50.97 2wpw s ASP 162 Cb -0.14 -1.95 1.38 0.00 -1.46 0.00 0.00 42.92 40.75 2wpw s ASP 162 CO 0.03 -0.47 1.89 -0.07 0.52 0.00 0.00 175.17 177.07 2wpw h LEU 163 N 8.33 0.00 -0.00 -1.34 4.07 -0.20 0.71 115.31 126.89 2wpw h LEU 163 Ca -0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.74 2wpw h LEU 163 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 2wpw h LEU 163 CO 0.70 0.00 -0.00 0.47 -1.08 0.00 0.00 178.44 178.53 2wpw n ASP 164 N -2.61 0.00 -0.03 -0.43 10.43 -1.26 -4.07 116.55 118.57 2wpw n ASP 164 Ca 0.00 0.36 -0.03 0.00 2.57 0.00 0.00 54.79 57.69 2wpw n ASP 164 Cb 0.18 -0.45 -0.06 0.00 1.84 0.00 0.00 41.12 42.63 2wpw n ASP 164 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2wpw n ARG 165 N -1.45 2.59 -3.82 -1.24 1.74 0.16 -5.01 116.66 109.63 2wpw n ARG 165 Ca 0.09 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 57.03 2wpw n ARG 165 Cb 0.32 -1.19 -0.12 0.00 -1.02 0.00 0.00 32.46 30.45 2wpw n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2wpw s HIS 166 N -2.21 -0.17 -0.46 -1.55 5.04 -0.70 -5.08 115.29 110.16 2wpw s HIS 166 Ca -0.04 0.41 0.03 0.00 -1.54 0.00 0.00 55.06 53.92 2wpw s HIS 166 Cb 0.02 0.05 0.14 0.00 0.04 0.00 0.00 32.58 32.83 2wpw s HIS 166 CO 0.31 -0.13 0.25 0.34 -2.34 0.00 0.00 174.74 173.17 2wpw s ASP 167 N -0.13 3.77 0.10 9.88 3.68 -1.26 -4.11 116.67 128.60 2wpw s ASP 167 Ca -0.02 -2.73 0.08 0.00 2.13 0.00 0.00 52.55 52.01 2wpw s ASP 167 Cb -0.02 -1.15 0.41 0.00 -1.45 0.00 0.00 42.92 40.71 2wpw s ASP 167 CO 0.01 -0.26 1.24 -0.81 0.13 0.00 0.00 175.17 175.48 2wpw n PRO 168 N 3.42 0.05 0.00 4.34 -0.04 -1.26 -0.29 135.00 141.22 2wpw n PRO 168 Ca 0.08 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.19 2wpw n PRO 168 Cb 0.34 -1.65 0.27 0.00 -0.04 0.00 0.00 33.50 32.43 2wpw n PRO 168 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wpw n LEU 169 N -1.74 1.89 -0.33 1.53 4.32 -1.26 -4.51 117.00 116.90 2wpw n LEU 169 Ca -0.00 -0.63 0.21 0.00 -0.02 0.00 0.00 56.01 55.57 2wpw n LEU 169 Cb 0.03 -0.03 0.42 0.00 -1.62 0.00 0.00 43.42 42.22 2wpw n LEU 169 CO 0.04 0.33 1.07 0.00 -1.22 0.00 0.00 177.39 177.61 2wpw h ALA 170 N 4.20 1.77 -0.36 -1.18 0.00 -1.07 0.82 119.26 123.45 2wpw h ALA 170 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wpw h ALA 170 Cb 0.68 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2wpw h ALA 170 CO 0.00 -0.53 0.00 -0.25 0.00 0.00 0.00 179.25 178.47 2wpw n ASP 171 N -5.09 1.98 0.00 0.00 10.43 -1.26 -5.06 116.55 117.55 2wpw n ASP 171 Ca 0.29 -1.97 0.00 0.00 2.57 0.00 0.00 54.79 55.68 2wpw n ASP 171 Cb 0.90 -0.24 0.00 0.00 1.84 0.00 0.00 41.12 43.62 2wpw n ASP 171 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wpw n GLY 172 N 1.10 -1.25 3.76 0.44 0.00 0.28 -4.86 105.19 104.66 2wpw n GLY 172 Ca 0.13 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 2wpw n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wpw s VAL 173 N -1.19 4.22 0.99 1.61 1.01 -1.26 -4.81 120.40 120.98 2wpw s VAL 173 Ca 0.00 1.94 -0.12 0.00 0.00 0.00 0.00 61.98 63.80 2wpw s VAL 173 Cb 0.00 -4.26 0.18 0.00 0.00 0.00 0.00 36.38 32.31 2wpw s VAL 173 CO 0.00 0.49 1.09 -2.84 0.00 0.00 0.00 175.10 173.84 2wpw s PRO 174 N -1.06 0.47 0.53 2.72 0.02 -1.26 -4.96 135.00 131.45 2wpw s PRO 174 Ca 0.39 0.61 -0.20 0.00 0.02 0.00 0.00 61.00 61.82 2wpw s PRO 174 Cb -0.25 -1.73 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 2wpw s PRO 174 CO 0.30 -2.73 1.16 0.00 -0.33 0.00 0.00 177.00 175.40 2wpw s ALA 175 N -2.92 2.75 -0.01 -1.55 0.00 -1.26 -4.98 121.76 113.79 2wpw s ALA 175 Ca 0.65 0.89 -0.27 0.00 0.00 0.00 0.00 51.96 53.24 2wpw s ALA 175 Cb -0.19 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 2wpw s ALA 175 CO 0.58 -0.81 0.84 0.08 0.00 0.00 0.00 175.76 176.45 2wpw s VAL 176 N -1.67 4.89 0.61 0.00 1.01 -1.26 -5.03 120.40 118.95 2wpw s VAL 176 Ca 0.71 1.76 -0.15 0.00 0.00 0.00 0.00 61.98 64.30 2wpw s VAL 176 Cb -0.26 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2wpw s VAL 176 CO 0.30 0.24 1.05 -2.16 0.00 0.00 0.00 175.10 174.53 2wpw s PRO 177 N 0.70 3.31 0.24 2.72 0.04 -1.26 -4.92 135.00 135.83 2wpw s PRO 177 Ca 0.44 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 2wpw s PRO 177 Cb -0.20 -2.04 -0.15 0.00 0.04 0.00 0.00 34.50 32.16 2wpw s PRO 177 CO 0.24 -0.81 1.11 0.00 0.04 0.00 0.00 177.00 177.58 2wpw n ALA 178 N -2.22 -0.30 0.00 8.56 0.00 -1.26 -1.95 120.51 123.35 2wpw n ALA 178 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2wpw n ALA 178 Cb 0.53 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.93 2wpw n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wpw n GLY 179 N 1.62 1.40 3.56 0.00 0.00 -1.26 -5.04 105.19 105.46 2wpw n GLY 179 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2wpw n GLY 179 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wpw s TYR 180 N -2.32 2.57 0.16 1.61 1.51 -0.82 -0.93 117.35 119.13 2wpw s TYR 180 Ca 0.00 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 2wpw s TYR 180 Cb 0.00 -1.21 -0.05 0.00 -0.11 0.00 0.00 41.96 40.59 2wpw s TYR 180 CO 0.00 0.56 0.01 -1.12 -1.11 0.00 0.00 175.55 173.89 2wpw s SER 181 N -3.09 1.06 -0.05 2.29 0.01 -0.25 -4.77 113.70 108.91 2wpw s SER 181 Ca 0.27 -1.18 0.01 0.00 1.31 0.00 0.00 55.95 56.36 2wpw s SER 181 Cb -0.08 0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 2wpw s SER 181 CO 0.16 -0.60 -0.05 -0.76 0.41 0.00 0.00 173.24 172.40 2wpw s LEU 182 N -3.15 3.27 0.23 2.44 1.43 -1.26 0.62 118.68 122.26 2wpw s LEU 182 Ca 0.24 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.37 2wpw s LEU 182 Cb 0.06 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 2wpw s LEU 182 CO 0.03 0.34 -0.05 0.68 0.23 0.00 0.00 176.35 177.59 2wpw s VAL 183 N -0.89 1.29 0.16 -1.59 -7.23 0.20 -4.95 120.40 107.39 2wpw s VAL 183 Ca 0.14 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 2wpw s VAL 183 Cb -0.11 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 2wpw s VAL 183 CO 0.04 -0.40 -0.00 0.42 -0.31 0.00 0.00 175.10 174.84 2wpw s THR 184 N -3.25 0.66 0.22 5.32 -4.23 -1.26 -0.37 115.64 112.73 2wpw s THR 184 Ca 0.26 -1.97 -0.23 0.00 -1.18 0.00 0.00 61.69 58.57 2wpw s THR 184 Cb 0.04 -2.06 0.04 0.00 1.34 0.00 0.00 72.50 71.86 2wpw s THR 184 CO 0.08 -0.52 0.83 -1.66 -0.54 0.00 0.00 174.62 172.81 2wpw s TRP 185 N -3.67 -0.16 0.00 3.99 -2.14 -1.03 -5.00 118.94 110.94 2wpw s TRP 185 Ca 0.22 -0.23 0.00 0.00 2.66 0.00 0.00 56.10 58.75 2wpw s TRP 185 Cb 0.06 0.68 0.00 0.00 -3.10 0.00 0.00 33.47 31.11 2wpw s TRP 185 CO 0.03 -1.06 0.00 0.41 -2.66 0.00 0.00 176.95 173.67 2wpw n GLY 186 N -0.47 0.99 0.23 3.67 0.00 -1.26 -1.59 105.19 106.76 2wpw n GLY 186 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.03 2wpw n GLY 186 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wpw h THR 187 N 0.00 1.09 -3.36 2.61 1.35 -1.94 -3.42 112.91 109.24 2wpw h THR 187 Ca 0.00 -0.54 -0.65 0.00 -0.55 0.00 0.00 66.41 64.66 2wpw h THR 187 Cb 0.00 1.30 -0.27 0.00 -1.73 0.00 0.00 68.15 67.45 2wpw h THR 187 CO 0.00 0.15 -0.73 -0.63 -0.25 0.00 0.00 175.52 174.07 2wpw s ILE 188 N -4.67 3.36 0.12 6.82 -1.09 -1.26 -4.89 121.20 119.57 2wpw s ILE 188 Ca -0.04 -0.52 -0.31 0.00 -2.23 0.00 0.00 60.65 57.55 2wpw s ILE 188 Cb 0.16 -2.49 -0.10 0.00 -1.58 0.00 0.00 42.46 38.45 2wpw s ILE 188 CO 0.69 0.46 1.72 -0.89 -1.23 0.00 0.00 174.94 175.69 2wpw s THR 189 N 1.04 2.68 0.50 2.92 2.01 -1.26 -4.94 115.64 118.59 2wpw s THR 189 Ca 0.00 0.26 -0.23 0.00 0.31 0.00 0.00 61.69 62.04 2wpw s THR 189 Cb -0.15 -3.17 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 2wpw s THR 189 CO -0.00 0.00 1.33 -2.84 -0.69 0.00 0.00 174.62 172.42 2wpw s PRO 190 N 2.34 3.43 0.34 4.92 0.02 -1.26 -4.80 135.00 139.98 2wpw s PRO 190 Ca 0.76 2.19 0.13 0.00 0.02 0.00 0.00 61.00 64.10 2wpw s PRO 190 Cb -0.44 -2.41 1.02 0.00 0.02 0.00 0.00 34.50 32.69 2wpw s PRO 190 CO 0.34 -0.94 1.70 -0.44 -0.33 0.00 0.00 177.00 177.32 2wpw h ASP 191 N 1.84 0.57 0.63 2.53 3.32 -2.02 0.14 116.42 123.43 2wpw h ASP 191 Ca -0.50 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2wpw h ASP 191 Cb 1.28 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.91 2wpw h ASP 191 CO 0.59 -0.02 0.00 -1.84 -1.72 0.00 0.00 179.24 176.25 2wpw n GLU 192 N -4.93 0.28 0.00 3.56 0.28 -1.26 -3.02 120.64 115.55 2wpw n GLU 192 Ca 0.29 0.03 0.08 0.00 -0.16 0.00 0.00 57.16 57.40 2wpw n GLU 192 Cb 0.89 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 32.31 2wpw n GLU 192 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2wpw n TYR 193 N -1.35 0.00 -0.02 -1.84 0.53 0.47 -4.60 117.16 110.35 2wpw n TYR 193 Ca 0.11 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 56.84 2wpw n TYR 193 Cb 0.24 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 38.46 2wpw n TYR 193 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2wpw h ALA 194 N 3.03 0.12 0.25 -0.72 0.00 -1.44 0.35 119.26 120.85 2wpw h ALA 194 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2wpw h ALA 194 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wpw h ALA 194 CO 0.00 0.24 -0.12 0.28 0.00 0.00 0.00 179.25 179.65 2wpw h VAL 195 N -0.14 0.81 -0.66 0.00 2.07 -1.83 -1.30 116.25 115.20 2wpw h VAL 195 Ca -0.03 -0.45 0.14 0.00 0.82 0.00 0.00 66.70 67.18 2wpw h VAL 195 Cb 1.06 1.06 -0.11 0.00 -1.52 0.00 0.00 31.29 31.79 2wpw h VAL 195 CO 0.08 0.10 0.06 -0.65 0.02 0.00 0.00 177.57 177.18 2wpw h PRO 196 N -0.57 0.17 0.16 1.57 0.11 -1.81 0.30 132.00 131.93 2wpw h PRO 196 Ca -0.03 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 2wpw h PRO 196 Cb 0.42 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.49 2wpw h PRO 196 CO 0.06 0.11 -0.08 0.28 -0.21 0.00 0.00 178.00 178.16 2wpw h VAL 197 N 0.17 0.85 0.00 3.15 2.07 -0.16 -1.35 116.25 120.98 2wpw h VAL 197 Ca 0.36 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.81 2wpw h VAL 197 Cb 0.59 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2wpw h VAL 197 CO -0.52 0.01 -0.13 0.77 0.02 0.00 0.00 177.57 177.72 2wpw h SER 198 N -0.23 0.00 -0.02 0.57 4.64 -0.90 -2.42 113.55 115.18 2wpw h SER 198 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2wpw h SER 198 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2wpw h SER 198 CO 0.04 0.13 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.47 2wpw n GLU 199 N -3.72 2.15 0.00 4.77 1.02 0.07 -4.17 120.64 120.76 2wpw n GLU 199 Ca -0.02 -1.72 0.00 0.00 -0.02 0.00 0.00 57.16 55.40 2wpw n GLU 199 Cb 0.24 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2wpw n GLU 199 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wpw n LEU 200 N 1.08 0.00 -3.68 -4.62 7.94 -0.53 -4.74 117.00 112.44 2wpw n LEU 200 Ca 0.14 0.34 -0.26 0.00 -1.11 0.00 0.00 56.01 55.13 2wpw n LEU 200 Cb 0.55 -0.34 -0.03 0.00 0.53 0.00 0.00 43.42 44.13 2wpw n LEU 200 CO 0.16 -0.34 -0.08 1.21 -1.11 0.00 0.00 177.39 177.23 2wpw n GLU 201 N -1.33 -2.22 0.00 1.96 4.07 -1.26 -4.86 120.64 117.00 2wpw n GLU 201 Ca 0.00 0.22 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 2wpw n GLU 201 Cb 0.11 -4.83 0.00 0.00 -0.06 0.00 0.00 31.44 26.67 2wpw n GLU 201 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2wpw n LEU 202 N -3.61 0.00 -0.03 4.31 4.32 -1.26 -5.12 117.00 115.62 2wpw n LEU 202 Ca 0.05 -0.12 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 2wpw n LEU 202 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 2wpw n LEU 202 CO 0.59 0.13 0.00 -2.11 -1.22 0.00 0.00 177.39 174.78 2wpw n ARG 211 N 0.00 0.00 0.00 3.23 -4.01 -1.26 -4.96 116.66 109.66 2wpw n ARG 211 Ca 0.00 0.00 0.13 0.00 -1.04 0.00 0.00 57.85 56.94 2wpw n ARG 211 Cb 0.47 -0.03 0.33 0.00 -3.04 0.00 0.00 32.46 30.20 2wpw n ARG 211 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2wpw n ALA 212 N -0.53 3.21 0.00 2.89 0.00 -1.26 -3.44 120.51 121.38 2wpw n ALA 212 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2wpw n ALA 212 Cb 0.45 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2wpw n ALA 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wpw n ALA 213 N -0.81 1.15 -0.03 0.00 0.00 -1.26 -0.65 120.51 118.92 2wpw n ALA 213 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 2wpw n ALA 213 Cb 0.35 -0.82 0.03 0.00 0.00 0.00 0.00 19.45 19.01 2wpw n ALA 213 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wpw h GLN 214 N 0.15 0.67 0.00 0.00 4.20 -2.00 -3.16 115.11 114.97 2wpw h GLN 214 Ca 0.00 -0.41 -0.04 0.00 0.06 0.00 0.00 58.65 58.26 2wpw h GLN 214 Cb 0.00 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2wpw h GLN 214 CO 0.00 1.03 -0.18 0.93 -0.67 0.00 0.00 178.83 179.94 2wpw h GLU 215 N 0.52 0.00 -0.05 1.46 4.39 -1.21 0.57 114.58 120.26 2wpw h GLU 215 Ca 0.02 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 2wpw h GLU 215 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2wpw h GLU 215 CO 0.11 0.18 -0.15 0.28 -1.16 0.00 0.00 179.01 178.27 2wpw h VAL 216 N 0.00 1.44 -0.08 3.13 2.07 -1.72 0.22 116.25 121.30 2wpw h VAL 216 Ca -0.00 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 65.99 2wpw h VAL 216 Cb 0.75 2.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.82 2wpw h VAL 216 CO 0.02 0.42 0.05 0.03 0.02 0.00 0.00 177.57 178.12 2wpw h ARG 217 N -0.32 0.11 -0.62 1.57 3.08 -1.38 -1.38 114.38 115.44 2wpw h ARG 217 Ca -0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2wpw h ARG 217 Cb 0.76 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 2wpw h ARG 217 CO 0.03 0.11 0.36 1.15 -1.07 0.00 0.00 179.97 180.55 2wpw h THR 218 N 0.09 1.18 0.06 2.04 2.02 0.13 -1.78 112.91 116.65 2wpw h THR 218 Ca 0.03 -0.40 -0.25 0.00 0.77 0.00 0.00 66.41 66.57 2wpw h THR 218 Cb 0.02 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2wpw h THR 218 CO -0.01 0.19 -1.07 -1.28 0.37 0.00 0.00 175.52 173.72 2wpw h SER 219 N 0.85 0.51 0.42 4.18 0.87 -0.43 -2.39 113.55 117.55 2wpw h SER 219 Ca 0.22 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 2wpw h SER 219 Cb -0.02 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 2wpw h SER 219 CO -0.04 1.29 -0.44 0.22 -0.53 0.00 0.00 176.83 177.33 2wpw h TYR 220 N 0.17 -1.22 -0.84 2.24 3.20 -0.99 -2.55 116.97 116.97 2wpw h TYR 220 Ca -0.11 0.01 0.21 0.00 3.14 0.00 0.00 58.73 61.99 2wpw h TYR 220 Cb 1.74 0.48 -0.14 0.00 1.54 0.00 0.00 36.73 40.35 2wpw h TYR 220 CO 0.06 -0.58 0.15 0.00 -1.64 0.00 0.00 178.16 176.16 2wpw h ALA 221 N -1.01 1.10 -0.46 1.82 0.00 -1.31 0.17 119.26 119.58 2wpw h ALA 221 Ca -0.05 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2wpw h ALA 221 Cb 0.75 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2wpw h ALA 221 CO -0.06 -0.45 0.23 -0.09 0.00 0.00 0.00 179.25 178.87 2wpw h ARG 222 N 0.17 0.64 -0.28 0.00 2.43 -1.11 0.55 114.38 116.78 2wpw h ARG 222 Ca 0.50 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 59.42 2wpw h ARG 222 Cb 0.97 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2wpw h ARG 222 CO -0.66 0.49 -0.53 1.96 -1.51 0.00 0.00 179.97 179.72 2wpw h GLN 223 N 0.64 0.85 -0.74 0.20 4.20 -0.58 0.18 115.11 119.86 2wpw h GLN 223 Ca 0.16 -0.54 0.09 0.00 0.06 0.00 0.00 58.65 58.43 2wpw h GLN 223 Cb 0.06 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 2wpw h GLN 223 CO -0.02 1.17 0.38 0.74 -0.67 0.00 0.00 178.83 180.44 2wpw h PHE 224 N 0.62 0.69 -0.51 2.96 0.04 -0.73 -2.75 116.94 117.27 2wpw h PHE 224 Ca 0.01 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 2wpw h PHE 224 Cb 1.14 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 39.07 2wpw h PHE 224 CO 0.08 0.26 -0.12 0.93 -0.60 0.00 0.00 178.31 178.86 2wpw h GLU 225 N 0.65 0.98 -1.85 1.51 5.08 -0.09 -2.56 114.58 118.31 2wpw h GLU 225 Ca 0.36 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wpw h GLU 225 Cb 0.37 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2wpw h GLU 225 CO -0.26 1.05 0.00 0.25 -1.00 0.00 0.00 179.01 179.04 2wpw n THR 226 N -4.18 1.10 0.00 1.13 -2.24 -0.03 -2.03 114.28 108.03 2wpw n THR 226 Ca 0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2wpw n THR 226 Cb 0.40 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 2wpw n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wpw n ARG 228 N 1.44 0.00 -0.16 -0.78 1.74 -0.97 -0.99 116.66 116.95 2wpw n ARG 228 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 2wpw n ARG 228 Cb 0.31 0.00 0.19 0.00 -1.02 0.00 0.00 32.46 31.95 2wpw n ARG 228 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2wpw h VAL 229 N 0.00 1.22 -0.06 1.55 2.07 -1.61 -0.11 116.25 119.31 2wpw h VAL 229 Ca 0.00 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 2wpw h VAL 229 Cb 0.00 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2wpw h VAL 229 CO 0.00 0.28 -0.18 1.23 0.02 0.00 0.00 177.57 178.93 2wpw h GLY 230 N 0.99 0.10 -0.99 2.17 0.00 -1.35 0.25 103.07 104.24 2wpw h GLY 230 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2wpw h GLY 230 CO -0.01 0.06 0.00 0.54 0.00 0.00 0.00 176.54 177.12 2wpw n ARG 231 N -4.28 1.63 -1.60 4.80 1.74 -0.12 -4.71 116.66 114.12 2wpw n ARG 231 Ca -0.02 -0.87 -0.07 0.00 -0.77 0.00 0.00 57.85 56.13 2wpw n ARG 231 Cb 0.27 -1.25 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 2wpw n ARG 231 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wpw n GLY 232 N 0.79 0.54 3.79 -0.13 0.00 0.08 -3.44 105.19 106.82 2wpw n GLY 232 Ca 0.08 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 2wpw n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wpw s ARG 233 N -3.33 4.09 0.55 1.61 0.52 -0.79 -2.23 118.95 119.38 2wpw s ARG 233 Ca 0.00 0.40 -0.05 0.00 -0.52 0.00 0.00 55.73 55.57 2wpw s ARG 233 Cb 0.00 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.16 2wpw s ARG 233 CO 0.00 0.48 0.85 1.03 0.02 0.00 0.00 175.30 177.67 2wpw s ARG 234 N -0.39 2.99 0.00 3.54 3.00 0.49 -4.38 118.95 124.20 2wpw s ARG 234 Ca 0.24 -0.09 -0.18 0.00 0.00 0.00 0.00 55.73 55.70 2wpw s ARG 234 Cb -0.16 -2.34 0.03 0.00 0.00 0.00 0.00 34.95 32.49 2wpw s ARG 234 CO 0.12 -0.58 0.39 0.00 0.00 0.00 0.00 175.30 175.23 2wpw s ALA 235 N -2.88 -0.99 -0.11 2.13 0.00 -1.26 -0.66 121.76 117.99 2wpw s ALA 235 Ca 0.52 0.45 -0.00 0.00 0.00 0.00 0.00 51.96 52.93 2wpw s ALA 235 Cb -0.10 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2wpw s ALA 235 CO 0.44 -0.34 -0.07 0.71 0.00 0.00 0.00 175.76 176.49 2wpw s TYR 236 N -1.70 1.40 0.03 0.00 1.51 -0.61 -3.88 117.35 114.10 2wpw s TYR 236 Ca -0.10 -0.67 0.07 0.00 -1.01 0.00 0.00 57.07 55.35 2wpw s TYR 236 Cb -0.03 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 2wpw s TYR 236 CO 0.03 -0.48 -0.18 -1.01 -1.11 0.00 0.00 175.55 172.79 2wpw s HIS 237 N 1.66 2.55 -0.04 2.71 3.76 -0.62 -1.57 115.29 123.74 2wpw s HIS 237 Ca 0.04 -0.26 0.04 0.00 -0.15 0.00 0.00 55.06 54.73 2wpw s HIS 237 Cb -0.13 -1.48 -0.00 0.00 1.11 0.00 0.00 32.58 32.08 2wpw s HIS 237 CO -0.07 0.23 -0.16 0.99 -0.85 0.00 0.00 174.74 174.88 2wpw s THR 238 N -0.89 1.36 0.15 1.30 2.01 -1.10 -2.46 115.64 116.02 2wpw s THR 238 Ca 0.14 -0.69 0.10 0.00 0.31 0.00 0.00 61.69 61.56 2wpw s THR 238 Cb -0.10 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 2wpw s THR 238 CO 0.04 0.39 -0.24 -0.83 -0.69 0.00 0.00 174.62 173.30 2wpw s GLY 239 N -0.02 1.55 -0.22 4.40 0.00 0.50 -2.36 107.32 111.18 2wpw s GLY 239 Ca -0.02 -1.50 -0.07 0.00 0.00 0.00 0.00 44.72 43.13 2wpw s GLY 239 CO 0.02 -1.51 0.05 0.00 0.00 0.00 0.00 173.10 171.65 2wpw s ALA 240 N -1.45 3.18 -0.10 3.20 0.00 0.04 -0.63 121.76 126.01 2wpw s ALA 240 Ca 0.16 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 2wpw s ALA 240 Cb -0.09 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 2wpw s ALA 240 CO 0.07 -0.24 -0.07 0.08 0.00 0.00 0.00 175.76 175.61 2wpw s VAL 241 N 1.15 3.68 -0.68 0.00 1.01 0.20 -0.38 120.40 125.39 2wpw s VAL 241 Ca 0.04 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 2wpw s VAL 241 Cb -0.14 -2.54 0.10 0.00 0.00 0.00 0.00 36.38 33.79 2wpw s VAL 241 CO 0.03 0.56 0.89 -2.28 0.00 0.00 0.00 175.10 174.30 2wpw s HIS 242 N -0.39 2.89 0.21 5.22 2.46 -0.43 -1.09 115.29 124.15 2wpw s HIS 242 Ca 0.06 -0.87 -0.12 0.00 0.47 0.00 0.00 55.06 54.60 2wpw s HIS 242 Cb -0.12 -4.18 0.26 0.00 -0.13 0.00 0.00 32.58 28.41 2wpw s HIS 242 CO 0.02 -1.48 1.66 -0.44 -2.47 0.00 0.00 174.74 172.04 2wpw h ASP 243 N 9.27 -0.29 0.15 9.88 3.45 -1.36 -0.66 116.42 136.87 2wpw h ASP 243 Ca -0.21 0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.39 2wpw h ASP 243 Cb 1.07 0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 40.11 2wpw h ASP 243 CO 1.13 -0.11 -0.04 0.00 -1.57 0.00 0.00 179.24 178.65 2wpw h ALA 244 N 1.54 1.33 -0.00 3.45 0.00 -1.92 -3.01 119.26 120.65 2wpw h ALA 244 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2wpw h ALA 244 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wpw h ALA 244 CO -0.51 0.05 -0.10 0.25 0.00 0.00 0.00 179.25 178.93 2wpw n THR 245 N -3.61 0.00 -0.78 0.00 -2.24 -0.74 -5.00 114.28 101.91 2wpw n THR 245 Ca -0.02 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2wpw n THR 245 Cb 0.14 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 2wpw n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wpw n GLY 246 N 0.72 0.58 3.78 3.38 0.00 -0.33 -5.00 105.19 108.32 2wpw n GLY 246 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2wpw n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wpw s ALA 247 N -2.70 2.95 -0.51 4.61 0.00 -1.24 -4.74 121.76 120.13 2wpw s ALA 247 Ca 0.00 0.77 -0.24 0.00 0.00 0.00 0.00 51.96 52.49 2wpw s ALA 247 Cb 0.00 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.84 2wpw s ALA 247 CO 0.00 -0.45 0.91 -1.17 0.00 0.00 0.00 175.76 175.05 2wpw s LEU 248 N -3.10 4.11 0.21 0.00 2.96 -1.26 -1.31 118.68 120.29 2wpw s LEU 248 Ca 0.64 -0.19 0.11 0.00 -0.22 0.00 0.00 54.13 54.47 2wpw s LEU 248 Cb -0.23 -2.95 -0.02 0.00 0.50 0.00 0.00 46.19 43.49 2wpw s LEU 248 CO 0.28 -1.12 1.39 0.00 -1.32 0.00 0.00 176.35 175.58 2wpw h ALA 249 N 9.19 0.55 -1.30 5.97 0.00 -1.07 -3.44 119.26 129.16 2wpw h ALA 249 Ca -0.25 -0.66 0.27 0.00 0.00 0.00 0.00 54.91 54.27 2wpw h ALA 249 Cb 1.08 -0.12 -0.20 0.00 0.00 0.00 0.00 17.79 18.55 2wpw h ALA 249 CO 1.05 0.91 0.87 0.20 0.00 0.00 0.00 179.25 182.28 2wpw s GLY 250 N -4.57 -0.23 0.32 0.00 0.00 -1.19 0.20 107.32 101.85 2wpw s GLY 250 Ca 0.02 1.83 -0.01 0.00 0.00 0.00 0.00 44.72 46.56 2wpw s GLY 250 CO 0.78 0.63 0.39 -2.52 0.00 0.00 0.00 173.10 172.38 2wpw s TYR 251 N -2.14 1.19 0.10 1.90 1.13 -0.48 -0.78 117.35 118.29 2wpw s TYR 251 Ca 0.10 -1.35 -0.14 0.00 -1.41 0.00 0.00 57.07 54.27 2wpw s TYR 251 Cb -0.01 -0.27 0.02 0.00 -1.10 0.00 0.00 41.96 40.60 2wpw s TYR 251 CO -0.04 -1.00 0.33 -0.08 -2.51 0.00 0.00 175.55 172.25 2wpw s THR 252 N -3.35 0.09 0.16 -3.49 -1.32 -0.99 -0.28 115.64 106.45 2wpw s THR 252 Ca 0.33 -0.75 -0.04 0.00 -1.21 0.00 0.00 61.69 60.03 2wpw s THR 252 Cb 0.01 -1.19 -0.03 0.00 -1.51 0.00 0.00 72.50 69.79 2wpw s THR 252 CO 0.20 -0.41 0.15 -0.94 -2.21 0.00 0.00 174.62 171.41 2wpw s SER 253 N -2.72 0.19 -0.02 8.08 1.04 -1.26 -2.72 113.70 116.29 2wpw s SER 253 Ca 0.02 -1.14 -0.01 0.00 0.48 0.00 0.00 55.95 55.30 2wpw s SER 253 Cb 0.02 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.53 2wpw s SER 253 CO -0.11 -0.81 0.04 -0.69 0.98 0.00 0.00 173.24 172.65 2wpw s VAL 254 N -4.05 -0.04 -0.03 5.02 1.01 -0.61 -0.58 120.40 121.13 2wpw s VAL 254 Ca 0.25 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2wpw s VAL 254 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.32 2wpw s VAL 254 CO 0.04 0.05 0.00 -0.55 0.00 0.00 0.00 175.10 174.64 2wpw s SER 255 N 0.68 5.17 -0.10 3.32 0.15 1.00 -1.58 113.70 122.34 2wpw s SER 255 Ca -0.06 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2wpw s SER 255 Cb -0.08 -1.39 0.02 0.00 -1.71 0.00 0.00 66.02 62.86 2wpw s SER 255 CO -0.02 0.31 -0.08 -0.75 1.20 0.00 0.00 173.24 173.90 2wpw s LYS 256 N -1.32 1.50 0.55 5.44 2.36 0.16 -0.33 119.74 128.09 2wpw s LYS 256 Ca 0.17 -0.26 -0.13 0.00 -2.55 0.00 0.00 55.97 53.20 2wpw s LYS 256 Cb -0.11 -1.51 -0.06 0.00 -1.05 0.00 0.00 37.83 35.10 2wpw s LYS 256 CO 0.08 -0.21 0.97 0.95 1.55 0.00 0.00 175.35 178.69 2wpw s THR 257 N 1.50 4.64 0.29 3.43 -4.23 -1.26 -0.38 115.64 119.63 2wpw s THR 257 Ca 0.01 0.98 0.03 0.00 -1.18 0.00 0.00 61.69 61.53 2wpw s THR 257 Cb -0.13 -3.79 0.28 0.00 1.34 0.00 0.00 72.50 70.20 2wpw s THR 257 CO -0.06 -0.87 1.79 0.74 -0.54 0.00 0.00 174.62 175.69 2wpw h THR 258 N 0.41 0.79 -2.65 3.99 2.02 -1.75 -3.43 112.91 112.28 2wpw h THR 258 Ca -0.46 -0.28 -0.46 0.00 0.77 0.00 0.00 66.41 65.98 2wpw h THR 258 Cb 1.19 -0.11 0.08 0.00 -1.74 0.00 0.00 68.15 67.57 2wpw h THR 258 CO 0.62 0.15 0.13 -0.83 0.37 0.00 0.00 175.52 175.96 2wpw s GLY 259 N -3.61 1.76 -0.77 2.16 0.00 -1.26 -4.75 107.32 100.86 2wpw s GLY 259 Ca -0.12 -1.48 -0.00 0.00 0.00 0.00 0.00 44.72 43.12 2wpw s GLY 259 CO 0.80 -0.97 0.67 0.70 0.00 0.00 0.00 173.10 174.30 2wpw n ASN 260 N -2.85 -6.86 -0.37 1.64 5.03 -1.26 -4.84 115.26 105.75 2wpw n ASN 260 Ca 0.13 -0.35 0.28 0.00 0.87 0.00 0.00 54.58 55.50 2wpw n ASN 260 Cb 0.60 -4.15 0.55 0.00 -1.02 0.00 0.00 39.78 35.76 2wpw n ASN 260 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 2wpw h PRO 261 N 0.24 0.27 0.00 3.52 0.11 -1.88 -0.01 132.00 134.24 2wpw h PRO 261 Ca -0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2wpw h PRO 261 Cb 1.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wpw h PRO 261 CO 0.32 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 2wpw n ALA 262 N -2.46 2.22 -2.70 -0.75 0.00 -1.26 -3.01 120.51 112.55 2wpw n ALA 262 Ca 0.30 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.32 2wpw n ALA 262 Cb 1.08 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 2wpw n ALA 262 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2wpw s TYR 263 N -3.02 3.16 0.08 0.00 2.02 -0.02 -0.88 117.35 118.68 2wpw s TYR 263 Ca 0.12 0.17 -0.05 0.00 -0.37 0.00 0.00 57.07 56.95 2wpw s TYR 263 Cb 0.16 -1.80 -0.02 0.00 -0.40 0.00 0.00 41.96 39.90 2wpw s TYR 263 CO 0.50 0.44 0.09 0.00 -1.57 0.00 0.00 175.55 175.02 2wpw s ALA 264 N -0.81 0.15 -0.14 3.71 0.00 -0.67 -4.59 121.76 119.42 2wpw s ALA 264 Ca 0.12 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.18 2wpw s ALA 264 Cb -0.11 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.43 2wpw s ALA 264 CO 0.02 -0.45 -0.19 -1.17 0.00 0.00 0.00 175.76 173.97 2wpw s LEU 265 N -2.90 2.27 -0.41 0.00 2.96 0.55 -2.47 118.68 118.69 2wpw s LEU 265 Ca 0.07 -0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 53.24 2wpw s LEU 265 Cb 0.06 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.28 2wpw s LEU 265 CO -0.10 0.10 0.64 -1.58 -1.32 0.00 0.00 176.35 174.09 2wpw s GLN 266 N 0.69 3.44 0.00 1.98 2.00 -0.41 -0.00 119.66 127.35 2wpw s GLN 266 Ca -0.09 -0.21 0.00 0.00 -2.00 0.00 0.00 55.36 53.06 2wpw s GLN 266 Cb -0.16 -3.89 0.00 0.00 0.80 0.00 0.00 33.01 29.76 2wpw s GLN 266 CO 0.01 -0.90 0.00 0.41 -0.50 0.00 0.00 175.29 174.31 2wpw n GLY 267 N 4.90 1.06 3.39 2.59 0.00 0.26 -4.68 105.19 112.71 2wpw n GLY 267 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2wpw n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wpw s THR 269 N 0.00 -0.46 -0.07 2.61 2.01 -1.26 -4.66 115.64 113.81 2wpw s THR 269 Ca 0.00 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.12 2wpw s THR 269 Cb 0.00 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 2wpw s THR 269 CO 0.00 0.04 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.14 2wpw s VAL 270 N 2.22 3.03 -0.11 3.82 1.01 0.61 -4.99 120.40 125.99 2wpw s VAL 270 Ca -0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 2wpw s VAL 270 Cb -0.10 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 34.10 2wpw s VAL 270 CO -0.15 0.57 -0.06 -0.69 0.00 0.00 0.00 175.10 174.77 2wpw s VAL 271 N -0.46 0.92 0.38 2.92 1.01 -1.26 -1.38 120.40 122.53 2wpw s VAL 271 Ca 0.06 -0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.57 2wpw s VAL 271 Cb -0.12 -0.96 -0.13 0.00 0.00 0.00 0.00 36.38 35.17 2wpw s VAL 271 CO 0.02 0.35 0.74 1.57 0.00 0.00 0.00 175.10 177.77 2wpw n HIS 272 N 4.98 0.21 -0.32 5.22 -0.00 0.52 -4.86 115.22 120.97 2wpw n HIS 272 Ca -0.12 0.64 0.10 0.00 0.46 0.00 0.00 57.72 58.80 2wpw n HIS 272 Cb 0.50 -2.09 0.27 0.00 -0.12 0.00 0.00 29.99 28.55 2wpw n HIS 272 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2wpw h ARG 273 N 1.19 0.64 -0.19 1.57 3.08 -1.89 -2.01 114.38 116.78 2wpw h ARG 273 Ca -0.40 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2wpw h ARG 273 Cb 1.38 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2wpw h ARG 273 CO 0.55 0.43 0.00 0.39 -1.07 0.00 0.00 179.97 180.26 2wpw n GLU 274 N -4.84 1.45 -0.32 0.04 1.02 -1.26 -3.96 120.64 112.77 2wpw n GLU 274 Ca 0.20 -0.71 0.04 0.00 -0.02 0.00 0.00 57.16 56.68 2wpw n GLU 274 Cb 0.51 -1.17 0.06 0.00 -0.02 0.00 0.00 31.44 30.82 2wpw n GLU 274 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wpw n HIS 275 N 0.06 0.00 -2.55 -0.32 8.25 -0.76 -5.06 115.22 114.84 2wpw n HIS 275 Ca 0.07 -0.43 -0.34 0.00 -0.26 0.00 0.00 57.72 56.76 2wpw n HIS 275 Cb 0.17 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 2wpw n HIS 275 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2wpw s ARG 276 N -1.24 3.83 0.00 -0.41 3.00 -1.22 -4.32 118.95 118.60 2wpw s ARG 276 Ca 0.14 1.37 0.00 0.00 0.00 0.00 0.00 55.73 57.24 2wpw s ARG 276 Cb 0.12 -2.12 0.00 0.00 0.00 0.00 0.00 34.95 32.95 2wpw s ARG 276 CO 0.01 -0.41 0.00 0.41 0.00 0.00 0.00 175.30 175.32 2wpw n GLY 277 N -0.22 0.61 0.53 -3.53 0.00 -1.26 -4.96 105.19 96.36 2wpw n GLY 277 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 2wpw n GLY 277 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wpw n HIS 278 N -1.46 0.42 -1.98 1.61 8.25 -1.26 -4.96 115.22 115.84 2wpw n HIS 278 Ca 0.00 -1.11 -0.20 0.00 -0.26 0.00 0.00 57.72 56.14 2wpw n HIS 278 Cb 0.00 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 30.80 2wpw n HIS 278 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wpw n ALA 279 N -1.09 -0.45 0.06 -1.41 0.00 -1.26 -4.79 120.51 111.57 2wpw n ALA 279 Ca 0.20 0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.89 2wpw n ALA 279 Cb 0.77 -2.10 0.28 0.00 0.00 0.00 0.00 19.45 18.41 2wpw n ALA 279 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wpw h LEU 280 N 0.00 0.35 0.24 0.00 4.07 -1.93 -1.31 115.31 116.73 2wpw h LEU 280 Ca -0.45 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.41 2wpw h LEU 280 Cb 1.35 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.96 2wpw h LEU 280 CO 0.60 0.58 -0.49 1.23 -1.08 0.00 0.00 178.44 179.28 2wpw h GLY 281 N 0.95 -1.19 1.36 0.83 0.00 -1.95 -0.11 103.07 102.96 2wpw h GLY 281 Ca 0.05 0.62 -0.08 0.00 0.00 0.00 0.00 47.33 47.92 2wpw h GLY 281 CO 0.04 -0.31 -0.03 -0.84 0.00 0.00 0.00 176.54 175.40 2wpw h THR 282 N -0.78 1.24 -0.88 4.70 2.02 -1.96 -2.00 112.91 115.25 2wpw h THR 282 Ca -0.02 -1.04 0.14 0.00 0.77 0.00 0.00 66.41 66.26 2wpw h THR 282 Cb 0.74 0.92 -0.09 0.00 -1.74 0.00 0.00 68.15 67.99 2wpw h THR 282 CO -0.19 0.36 0.49 0.25 0.37 0.00 0.00 175.52 176.79 2wpw h LEU 283 N 0.72 0.63 -0.00 2.58 5.85 -0.92 -2.06 115.31 122.11 2wpw h LEU 283 Ca 0.14 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 2wpw h LEU 283 Cb 0.48 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.49 2wpw h LEU 283 CO 0.02 0.29 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.00 2wpw h LEU 284 N 0.71 0.30 -0.59 2.25 -0.00 -0.27 -1.87 115.31 115.85 2wpw h LEU 284 Ca 0.47 -0.77 0.12 0.00 -0.00 0.00 0.00 57.88 57.70 2wpw h LEU 284 Cb 0.62 -0.09 -0.10 0.00 -0.00 0.00 0.00 40.66 41.09 2wpw h LEU 284 CO -0.33 1.03 0.01 0.11 -0.00 0.00 0.00 178.44 179.26 2wpw h LYS 285 N -0.40 0.12 0.13 1.13 1.57 -1.40 0.12 116.57 117.85 2wpw h LYS 285 Ca -0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2wpw h LYS 285 Cb 1.08 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2wpw h LYS 285 CO 0.07 0.08 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.89 2wpw h LEU 286 N 0.13 -0.15 -0.90 2.94 3.38 -1.27 -0.06 115.31 119.38 2wpw h LEU 286 Ca 0.30 -0.39 0.11 0.00 0.09 0.00 0.00 57.88 57.99 2wpw h LEU 286 Cb 0.48 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 2wpw h LEU 286 CO -0.49 0.37 0.53 0.00 0.09 0.00 0.00 178.44 178.94 2wpw h ALA 287 N -0.03 1.32 -0.13 1.53 0.00 -1.32 0.21 119.26 120.84 2wpw h ALA 287 Ca -0.02 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2wpw h ALA 287 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2wpw h ALA 287 CO 0.03 0.13 -0.56 -0.97 0.00 0.00 0.00 179.25 177.88 2wpw h ASN 288 N 0.86 0.45 -0.39 0.00 -0.00 -0.62 -2.25 115.58 113.63 2wpw h ASN 288 Ca 0.44 -0.24 -0.13 0.00 -0.00 0.00 0.00 56.30 56.37 2wpw h ASN 288 Cb 0.43 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.61 2wpw h ASN 288 CO -0.26 0.92 -0.26 0.25 -0.00 0.00 0.00 177.43 178.08 2wpw h LEU 289 N 0.31 0.94 -0.75 0.34 5.85 0.63 0.08 115.31 122.70 2wpw h LEU 289 Ca 0.00 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.40 2wpw h LEU 289 Cb 1.08 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 2wpw h LEU 289 CO 0.10 1.14 0.46 -0.08 -0.34 0.00 0.00 178.44 179.72 2wpw h GLU 290 N 0.78 0.85 -0.31 1.25 4.81 -0.94 0.39 114.58 121.40 2wpw h GLU 290 Ca 0.09 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2wpw h GLU 290 Cb 0.82 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2wpw h GLU 290 CO 0.07 0.56 0.08 -0.92 -0.73 0.00 0.00 179.01 178.07 2wpw h TYR 291 N 0.88 0.53 -0.67 0.92 3.20 -1.11 -1.51 116.97 119.20 2wpw h TYR 291 Ca 0.32 -0.06 0.09 0.00 3.14 0.00 0.00 58.73 62.21 2wpw h TYR 291 Cb 0.09 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.14 2wpw h TYR 291 CO -0.04 0.55 0.32 0.28 -1.64 0.00 0.00 178.16 177.63 2wpw h VAL 292 N 0.35 0.84 -0.35 1.81 2.07 -0.42 -3.06 116.25 117.50 2wpw h VAL 292 Ca 0.10 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.30 2wpw h VAL 292 Cb 0.29 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2wpw h VAL 292 CO 0.00 0.10 -0.31 -0.07 0.02 0.00 0.00 177.57 177.31 2wpw h LEU 293 N 0.56 0.77 -1.97 2.57 4.07 -0.72 0.12 115.31 120.72 2wpw h LEU 293 Ca 0.33 -0.31 0.24 0.00 0.08 0.00 0.00 57.88 58.22 2wpw h LEU 293 Cb 0.35 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 2wpw h LEU 293 CO -0.27 1.03 0.63 -0.09 -1.08 0.00 0.00 178.44 178.66 2wpw h ARG 294 N 0.63 0.00 -0.00 1.13 2.43 -1.17 -2.79 114.38 114.61 2wpw h ARG 294 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2wpw h ARG 294 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2wpw h ARG 294 CO 0.07 0.00 -0.06 0.72 -1.51 0.00 0.00 179.97 179.19 2wpw n HIS 295 N -4.15 0.00 -3.19 2.20 8.25 -1.00 -4.76 115.22 112.57 2wpw n HIS 295 Ca 0.17 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.43 2wpw n HIS 295 Cb 0.93 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.99 2wpw n HIS 295 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2wpw n GLU 296 N -0.89 0.86 0.28 -0.41 4.07 0.40 -4.98 120.64 119.97 2wpw n GLU 296 Ca 0.00 -3.31 0.17 0.00 -0.06 0.00 0.00 57.16 53.96 2wpw n GLU 296 Cb 0.02 -1.50 0.77 0.00 -0.06 0.00 0.00 31.44 30.67 2wpw n GLU 296 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2wpw h PRO 297 N 3.41 0.00 0.00 5.31 0.13 -1.78 -2.57 132.00 136.50 2wpw h PRO 297 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2wpw h PRO 297 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2wpw h PRO 297 CO 0.48 0.04 0.00 0.93 -0.23 0.00 0.00 178.00 179.22 2wpw h GLU 298 N 0.00 0.00 -6.59 0.86 5.08 -1.89 -3.47 114.58 108.57 2wpw h GLU 298 Ca -0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2wpw h GLU 298 Cb 0.41 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.75 2wpw h GLU 298 CO 0.01 0.00 0.60 0.28 -1.00 0.00 0.00 179.01 178.89 2wpw n VAL 299 N -3.06 1.01 0.00 3.13 0.31 -0.97 -4.31 118.33 114.44 2wpw n VAL 299 Ca 0.03 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2wpw n VAL 299 Cb 0.44 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 2wpw n VAL 299 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wpw n ARG 300 N 1.94 0.45 -3.98 5.55 3.00 -0.06 -4.93 116.66 118.63 2wpw n ARG 300 Ca 0.11 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.62 2wpw n ARG 300 Cb 0.32 -0.57 -0.14 0.00 0.00 0.00 0.00 32.46 32.06 2wpw n ARG 300 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2wpw s LEU 301 N -1.81 3.64 -0.16 0.55 1.43 -0.55 0.41 118.68 122.20 2wpw s LEU 301 Ca 0.00 -1.29 0.02 0.00 -1.03 0.00 0.00 54.13 51.83 2wpw s LEU 301 Cb 0.00 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.59 2wpw s LEU 301 CO 0.00 -0.22 -0.20 -0.69 0.23 0.00 0.00 176.35 175.47 2wpw s VAL 302 N 1.20 2.12 0.17 -1.59 1.01 -0.60 -1.67 120.40 121.03 2wpw s VAL 302 Ca -0.06 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2wpw s VAL 302 Cb -0.20 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 2wpw s VAL 302 CO -0.03 0.54 0.27 -1.83 0.00 0.00 0.00 175.10 174.05 2wpw s GLU 303 N 1.04 3.35 0.15 2.72 -1.05 -1.03 -0.83 118.70 123.05 2wpw s GLU 303 Ca -0.01 -0.67 -0.12 0.00 -0.15 0.00 0.00 54.97 54.01 2wpw s GLU 303 Cb -0.14 -2.90 0.01 0.00 -0.44 0.00 0.00 34.13 30.66 2wpw s GLU 303 CO -0.07 0.50 0.35 -0.08 0.95 0.00 0.00 175.26 176.91 2wpw s THR 304 N -1.79 0.07 -0.02 1.83 -1.32 -0.79 -1.29 115.64 112.33 2wpw s THR 304 Ca 0.34 -1.08 0.03 0.00 -1.21 0.00 0.00 61.69 59.77 2wpw s THR 304 Cb -0.10 -1.59 -0.00 0.00 -1.51 0.00 0.00 72.50 69.29 2wpw s THR 304 CO 0.28 -0.31 -0.10 0.00 -2.21 0.00 0.00 174.62 172.28 2wpw s ALA 305 N -3.90 0.87 0.23 11.08 0.00 -1.26 -0.13 121.76 128.65 2wpw s ALA 305 Ca 0.11 -0.39 0.09 0.00 0.00 0.00 0.00 51.96 51.78 2wpw s ALA 305 Cb 0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 2wpw s ALA 305 CO -0.04 0.17 -0.17 -0.80 0.00 0.00 0.00 175.76 174.92 2wpw s ASN 306 N 0.00 2.94 0.17 0.00 0.01 -0.19 -4.90 114.94 112.98 2wpw s ASN 306 Ca -0.00 -1.01 -0.33 0.00 -0.71 0.00 0.00 52.86 50.80 2wpw s ASN 306 Cb -0.07 -0.20 -0.14 0.00 0.41 0.00 0.00 41.25 41.26 2wpw s ASN 306 CO 0.00 -0.09 1.51 0.00 -1.51 0.00 0.00 177.10 177.02 2wpw n ALA 307 N -0.42 1.09 0.26 0.60 0.00 -1.26 -0.08 120.51 120.69 2wpw n ALA 307 Ca -0.07 0.44 0.11 0.00 0.00 0.00 0.00 53.44 53.93 2wpw n ALA 307 Cb 0.60 -2.31 0.70 0.00 0.00 0.00 0.00 19.45 18.44 2wpw n ALA 307 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wpw h GLU 308 N 5.37 0.00 -0.48 0.00 4.11 -1.02 -2.78 114.58 119.77 2wpw h GLU 308 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2wpw h GLU 308 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2wpw h GLU 308 CO 0.85 0.12 0.00 -0.40 0.07 0.00 0.00 179.01 179.65 2wpw n ASP 309 N -3.78 2.76 -4.14 3.06 3.85 -1.26 -4.57 116.55 112.47 2wpw n ASP 309 Ca -0.02 -1.97 -0.38 0.00 -0.71 0.00 0.00 54.79 51.71 2wpw n ASP 309 Cb 0.23 -0.32 -0.07 0.00 -1.35 0.00 0.00 41.12 39.61 2wpw n ASP 309 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 2wpw s ASN 310 N -1.10 5.69 0.06 -1.12 2.47 -1.05 -4.96 114.94 114.93 2wpw s ASN 310 Ca 0.35 -3.07 -0.22 0.00 0.42 0.00 0.00 52.86 50.34 2wpw s ASN 310 Cb 0.19 -1.93 -0.13 0.00 -1.45 0.00 0.00 41.25 37.92 2wpw s ASN 310 CO 0.25 -0.35 1.51 0.45 -3.72 0.00 0.00 177.10 175.24 2wpw h HIS 311 N 6.87 0.20 0.00 0.43 3.86 -1.87 -3.06 115.15 121.58 2wpw h HIS 311 Ca 0.05 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2wpw h HIS 311 Cb 0.93 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.34 2wpw h HIS 311 CO 0.77 0.39 0.00 -2.30 0.86 0.00 0.00 177.93 177.65 2wpw n PRO 312 N -4.83 0.00 0.00 2.45 -0.02 -1.26 -0.55 135.00 130.79 2wpw n PRO 312 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2wpw n PRO 312 Cb 0.18 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 2wpw n PRO 312 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wpw n ILE 314 N -0.10 0.00 0.03 4.25 5.41 -1.16 -0.57 119.36 127.23 2wpw n ILE 314 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 2wpw n ILE 314 Cb 0.00 0.00 0.27 0.00 -0.71 0.00 0.00 39.64 39.20 2wpw n ILE 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wpw h ALA 315 N 0.00 1.27 -0.31 -1.39 0.00 -1.11 -0.60 119.26 117.13 2wpw h ALA 315 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2wpw h ALA 315 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2wpw h ALA 315 CO 0.00 0.48 0.05 0.28 0.00 0.00 0.00 179.25 180.06 2wpw h VAL 316 N 0.40 1.16 -0.05 0.00 2.07 -1.06 -1.41 116.25 117.35 2wpw h VAL 316 Ca 0.07 -0.59 -0.23 0.00 0.82 0.00 0.00 66.70 66.78 2wpw h VAL 316 Cb 0.51 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2wpw h VAL 316 CO 0.03 0.21 -0.88 0.78 0.02 0.00 0.00 177.57 177.73 2wpw h ASN 317 N 0.44 0.71 -0.21 0.57 -0.26 -1.44 -3.21 115.58 112.18 2wpw h ASN 317 Ca 0.10 -0.52 -0.06 0.00 -0.56 0.00 0.00 56.30 55.26 2wpw h ASN 317 Cb 0.21 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 2wpw h ASN 317 CO 0.00 1.31 -0.03 0.00 -1.06 0.00 0.00 177.43 177.65 2wpw h ALA 318 N 0.66 1.33 0.00 -0.83 0.00 -0.83 -1.05 119.26 118.54 2wpw h ALA 318 Ca -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2wpw h ALA 318 Cb 1.51 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2wpw h ALA 318 CO 0.16 0.46 -0.08 0.00 0.00 0.00 0.00 179.25 179.79 2wpw h ALA 319 N 1.47 1.11 -0.14 0.00 0.00 -1.27 -0.48 119.26 119.95 2wpw h ALA 319 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wpw h ALA 319 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2wpw h ALA 319 CO 0.02 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.65 2wpw n LEU 320 N -3.34 1.89 0.00 0.00 4.32 -0.46 -4.94 117.00 114.47 2wpw n LEU 320 Ca -0.01 -0.75 0.00 0.00 -0.02 0.00 0.00 56.01 55.23 2wpw n LEU 320 Cb 0.26 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 2wpw n LEU 320 CO 0.28 0.37 0.00 0.61 -1.22 0.00 0.00 177.39 177.43 2wpw n GLY 321 N 1.19 0.79 3.72 -0.72 0.00 -0.19 -4.37 105.19 105.61 2wpw n GLY 321 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2wpw n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wpw s PHE 322 N -2.18 3.30 -0.11 1.61 0.40 -0.83 -4.44 117.98 115.74 2wpw s PHE 322 Ca 0.00 1.10 -0.02 0.00 -0.60 0.00 0.00 56.93 57.42 2wpw s PHE 322 Cb 0.00 -3.59 -0.03 0.00 0.51 0.00 0.00 43.02 39.91 2wpw s PHE 322 CO 0.00 -1.97 -0.05 -1.21 0.70 0.00 0.00 175.22 172.69 2wpw s GLU 323 N 0.83 3.23 0.25 0.44 2.02 0.23 -4.11 118.70 121.59 2wpw s GLU 323 Ca 0.61 -0.52 -0.30 0.00 0.02 0.00 0.00 54.97 54.78 2wpw s GLU 323 Cb -0.35 -2.76 -0.10 0.00 0.10 0.00 0.00 34.13 31.02 2wpw s GLU 323 CO 0.32 0.46 1.39 -2.14 0.02 0.00 0.00 175.26 175.31 2wpw s PRO 324 N -0.24 4.31 0.08 0.39 0.02 -1.26 -0.92 135.00 137.38 2wpw s PRO 324 Ca 0.04 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.30 2wpw s PRO 324 Cb -0.13 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2wpw s PRO 324 CO 0.02 -0.35 0.00 0.98 -0.33 0.00 0.00 177.00 177.32 2wpw n TYR 325 N 2.18 -0.41 -4.13 6.54 9.36 -0.04 -4.84 117.16 125.82 2wpw n TYR 325 Ca 0.06 0.07 -0.12 0.00 3.32 0.00 0.00 57.90 61.23 2wpw n TYR 325 Cb 0.41 0.18 -0.08 0.00 -0.63 0.00 0.00 39.34 39.22 2wpw n TYR 325 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 2wpw s ASP 326 N -5.31 0.35 -0.09 2.98 1.47 -1.15 -4.27 116.67 110.65 2wpw s ASP 326 Ca 0.00 -1.31 0.04 0.00 1.18 0.00 0.00 52.55 52.46 2wpw s ASP 326 Cb 0.00 0.50 0.00 0.00 -0.34 0.00 0.00 42.92 43.08 2wpw s ASP 326 CO 0.00 -1.02 -0.21 -0.60 0.68 0.00 0.00 175.17 174.02 2wpw s ARG 327 N -3.89 2.75 -0.82 2.11 3.52 0.12 -1.61 118.95 121.14 2wpw s ARG 327 Ca 0.33 -0.78 -0.15 0.00 -0.13 0.00 0.00 55.73 55.00 2wpw s ARG 327 Cb 0.03 -2.11 0.19 0.00 -1.56 0.00 0.00 34.95 31.50 2wpw s ARG 327 CO 0.14 0.14 0.82 -1.58 -0.81 0.00 0.00 175.30 174.02 2wpw s TRP 328 N 0.42 3.55 -0.02 5.12 0.52 0.47 -0.77 118.94 128.24 2wpw s TRP 328 Ca -0.18 -1.76 -0.23 0.00 0.02 0.00 0.00 56.10 53.95 2wpw s TRP 328 Cb -0.17 -3.93 -0.05 0.00 -1.15 0.00 0.00 33.47 28.17 2wpw s TRP 328 CO 0.08 -1.12 0.67 0.08 0.02 0.00 0.00 176.95 176.68 2wpw s VAL 329 N 0.93 4.92 -0.24 4.03 1.01 0.32 -1.92 120.40 129.46 2wpw s VAL 329 Ca 0.20 1.40 -0.18 0.00 0.00 0.00 0.00 61.98 63.39 2wpw s VAL 329 Cb -0.11 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 2wpw s VAL 329 CO -0.07 0.35 0.53 -0.36 0.00 0.00 0.00 175.10 175.54 2wpw s PHE 330 N 0.19 3.31 0.30 5.22 0.08 -1.26 0.17 117.98 125.99 2wpw s PHE 330 Ca 0.35 0.71 0.09 0.00 0.12 0.00 0.00 56.93 58.20 2wpw s PHE 330 Cb -0.19 -2.71 -0.04 0.00 -0.57 0.00 0.00 43.02 39.51 2wpw s PHE 330 CO 0.19 -0.21 0.04 -1.58 -0.10 0.00 0.00 175.22 173.56 2wpw s TRP 331 N 2.05 2.67 -0.04 0.36 0.52 0.23 0.63 118.94 125.37 2wpw s TRP 331 Ca 0.23 -0.30 -0.09 0.00 0.02 0.00 0.00 56.10 55.95 2wpw s TRP 331 Cb -0.16 -1.37 0.02 0.00 -1.15 0.00 0.00 33.47 30.81 2wpw s TRP 331 CO 0.09 0.52 0.22 -0.08 0.02 0.00 0.00 176.95 177.71 2wpw s THR 332 N -2.39 0.04 0.03 2.01 -1.32 -0.42 -1.50 115.64 112.10 2wpw s THR 332 Ca 0.34 -0.35 -0.12 0.00 -1.21 0.00 0.00 61.69 60.35 2wpw s THR 332 Cb -0.04 -0.43 0.01 0.00 -1.51 0.00 0.00 72.50 70.53 2wpw s THR 332 CO 0.21 -0.19 0.26 0.00 -2.21 0.00 0.00 174.62 172.68 2wpw s ALA 333 N -0.73 -0.57 0.17 11.08 0.00 0.27 -1.09 121.76 130.88 2wpw s ALA 333 Ca -0.08 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 2wpw s ALA 333 Cb -0.05 0.24 -0.07 0.00 0.00 0.00 0.00 23.12 23.25 2wpw s ALA 333 CO 0.02 -0.35 0.93 -1.21 0.00 0.00 0.00 175.76 175.15 2wpw s GLU 334 N -2.23 4.75 0.37 0.00 2.02 -1.26 0.29 118.70 122.64 2wpw s GLU 334 Ca -0.07 1.44 0.04 0.00 0.02 0.00 0.00 54.97 56.40 2wpw s GLU 334 Cb -0.02 -3.33 0.72 0.00 0.10 0.00 0.00 34.13 31.60 2wpw s GLU 334 CO -0.02 0.36 2.01 0.00 0.02 0.00 0.00 175.26 177.64 2wpw h ALA 335 N 4.92 1.59 0.00 5.21 0.00 -0.69 -3.45 119.26 126.83 2wpw h ALA 335 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2wpw h ALA 335 Cb 1.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2wpw h ALA 335 CO 0.70 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.72 2wpw n GLY 336 N -1.39 -2.49 3.92 0.00 0.00 -1.26 -4.79 105.19 99.18 2wpw n GLY 336 Ca 0.04 -1.87 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 2wpw n GLY 336 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wpw s PRO 337 N -0.36 3.55 -0.19 1.61 0.02 -1.26 -5.01 135.00 133.36 2wpw s PRO 337 Ca 0.00 -0.05 0.18 0.00 0.02 0.00 0.00 61.00 61.15 2wpw s PRO 337 Cb 0.00 -2.56 -0.26 0.00 0.02 0.00 0.00 34.50 31.71 2wpw s PRO 337 CO 0.00 0.05 0.10 0.43 -0.33 0.00 0.00 177.00 177.25 2wpw n SER 338 N -1.70 0.01 -0.41 2.53 7.64 -1.26 -5.11 113.62 115.32 2wpw n SER 338 Ca -0.02 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.91 2wpw n SER 338 Cb 0.55 1.05 0.04 0.00 -1.01 0.00 0.00 64.21 64.85 2wpw n SER 338 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50