#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpw s LEU 8 N 0.00 4.25 -0.20 4.31 1.43 -1.26 -4.34 118.68 122.87 2wpw s LEU 8 Ca 0.00 0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 53.91 2wpw s LEU 8 Cb 0.00 -2.76 -0.00 0.00 0.03 0.00 0.00 46.19 43.46 2wpw s LEU 8 CO 0.00 -0.07 -0.10 -0.70 0.23 0.00 0.00 176.35 175.71 2wpw s GLU 9 N 0.92 3.26 -0.47 1.70 2.12 0.88 -4.94 118.70 122.17 2wpw s GLU 9 Ca 0.27 -0.70 -0.18 0.00 0.36 0.00 0.00 54.97 54.72 2wpw s GLU 9 Cb -0.16 -2.82 0.05 0.00 0.26 0.00 0.00 34.13 31.46 2wpw s GLU 9 CO 0.11 -0.14 0.53 -0.06 -0.54 0.00 0.00 175.26 175.16 2wpw s PHE 10 N 1.26 3.12 -0.04 5.30 0.08 -1.26 -0.28 117.98 126.16 2wpw s PHE 10 Ca 0.03 -0.53 0.06 0.00 0.12 0.00 0.00 56.93 56.62 2wpw s PHE 10 Cb -0.14 -3.28 -0.01 0.00 -0.57 0.00 0.00 43.02 39.02 2wpw s PHE 10 CO -0.05 -0.89 -0.23 0.08 -0.10 0.00 0.00 175.22 174.03 2wpw s VAL 11 N 2.33 1.89 0.49 -0.44 1.01 -0.38 -4.98 120.40 120.32 2wpw s VAL 11 Ca 0.13 -0.99 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 2wpw s VAL 11 Cb -0.19 -1.59 -0.08 0.00 0.00 0.00 0.00 36.38 34.51 2wpw s VAL 11 CO 0.12 0.53 1.02 -2.65 0.00 0.00 0.00 175.10 174.12 2wpw n PRO 12 N 2.81 1.27 -3.27 2.72 -0.02 -1.26 -1.29 135.00 135.96 2wpw n PRO 12 Ca -0.17 0.46 -0.44 0.00 -2.02 0.00 0.00 63.50 61.33 2wpw n PRO 12 Cb 0.52 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.16 5.26 -0.12 2.45 2.96 -0.01 -4.71 118.68 123.35 2wpw s LEU 13 Ca 0.67 -1.09 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 2wpw s LEU 13 Cb -0.50 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 2wpw s LEU 13 CO 0.54 -0.77 0.04 0.00 -1.32 0.00 0.00 176.35 174.83 2wpw s ALA 14 N 2.17 3.42 0.47 5.97 0.00 -1.26 -4.78 121.76 127.75 2wpw s ALA 14 Ca 0.10 -0.76 0.16 0.00 0.00 0.00 0.00 51.96 51.46 2wpw s ALA 14 Cb -0.21 -1.67 1.12 0.00 0.00 0.00 0.00 23.12 22.35 2wpw s ALA 14 CO 0.10 0.50 2.05 0.00 0.00 0.00 0.00 175.76 178.40 2wpw h ALA 15 N 5.50 1.76 -0.22 0.00 0.00 -1.97 -2.21 119.26 122.12 2wpw h ALA 15 Ca -0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2wpw h ALA 15 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2wpw h ALA 15 CO 0.59 0.16 0.00 0.27 0.00 0.00 0.00 179.25 180.26 2wpw n ASN 16 N -4.34 1.41 -4.32 0.00 6.94 -1.26 -4.71 115.26 108.98 2wpw n ASN 16 Ca -0.03 -1.85 -0.46 0.00 -0.02 0.00 0.00 54.58 52.22 2wpw n ASN 16 Cb 0.20 -0.14 -0.03 0.00 -2.36 0.00 0.00 39.78 37.44 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 -1.24 6.48 0.08 0.53 3.68 -0.83 -4.95 116.67 120.42 2wpw s ASP 17 Ca 0.24 -2.26 -0.16 0.00 2.13 0.00 0.00 52.55 52.50 2wpw s ASP 17 Cb 0.12 -2.21 -0.12 0.00 -1.45 0.00 0.00 42.92 39.27 2wpw s ASP 17 CO 0.18 -0.71 1.36 0.44 0.13 0.00 0.00 175.17 176.57 2wpw h ASP 18 N 8.31 0.71 -0.18 -0.34 3.45 -1.87 -1.21 116.42 125.30 2wpw h ASP 18 Ca -0.09 -0.53 0.01 0.00 0.43 0.00 0.00 57.03 56.85 2wpw h ASP 18 Cb 1.07 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.62 2wpw h ASP 18 CO 0.89 1.11 0.09 -0.08 -1.57 0.00 0.00 179.24 179.68 2wpw h GLU 19 N 0.34 0.19 0.55 3.56 4.81 -1.99 -1.93 114.58 120.12 2wpw h GLU 19 Ca 0.02 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2wpw h GLU 19 Cb 0.97 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.31 2wpw h GLU 19 CO 0.08 0.12 -0.26 1.15 -0.73 0.00 0.00 179.01 179.37 2wpw h THR 20 N 0.19 0.38 -0.88 0.32 2.02 -1.91 -2.30 112.91 110.73 2wpw h THR 20 Ca 0.07 -0.29 0.22 0.00 0.77 0.00 0.00 66.41 67.18 2wpw h THR 20 Cb 0.01 0.48 -0.16 0.00 -1.74 0.00 0.00 68.15 66.75 2wpw h THR 20 CO -0.05 0.04 0.04 0.58 0.37 0.00 0.00 175.52 176.50 2wpw h VAL 21 N -0.94 0.20 -0.39 3.16 2.07 -1.26 0.32 116.25 119.41 2wpw h VAL 21 Ca -0.08 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2wpw h VAL 21 Cb 0.63 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2wpw h VAL 21 CO 0.12 0.01 0.13 1.23 0.02 0.00 0.00 177.57 179.09 2wpw h GLY 22 N 0.08 0.49 1.21 2.17 0.00 -1.16 0.13 103.07 106.00 2wpw h GLY 22 Ca 0.51 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.73 2wpw h GLY 22 CO -0.78 0.02 0.28 1.46 0.00 0.00 0.00 176.54 177.52 2wpw h GLN 23 N 0.29 1.01 -0.62 4.80 4.20 -0.60 -1.56 115.11 122.62 2wpw h GLN 23 Ca 0.18 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2wpw h GLN 23 Cb 0.16 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2wpw h GLN 23 CO -0.19 0.82 0.41 2.35 -0.67 0.00 0.00 178.83 181.55 2wpw h TRP 24 N 0.99 0.78 -0.34 2.96 7.01 0.01 0.49 115.95 127.85 2wpw h TRP 24 Ca 0.23 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 2wpw h TRP 24 Cb 0.19 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 26.97 2wpw h TRP 24 CO 0.02 0.49 0.08 -0.07 -2.79 0.00 0.00 178.44 176.17 2wpw h LEU 25 N 0.84 0.52 -0.55 0.65 3.38 -0.44 -3.06 115.31 116.65 2wpw h LEU 25 Ca 0.23 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wpw h LEU 25 Cb -0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2wpw h LEU 25 CO -0.05 0.61 0.35 0.44 0.09 0.00 0.00 178.44 179.89 2wpw h ASP 26 N 0.40 0.64 0.00 -0.43 3.45 -1.02 0.13 116.42 119.60 2wpw h ASP 26 Ca 0.11 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.53 2wpw h ASP 26 Cb 0.30 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 2wpw h ASP 26 CO 0.00 0.48 0.00 -0.11 -1.57 0.00 0.00 179.24 178.04 2wpw n LEU 27 N -4.69 0.00 0.00 1.55 7.94 0.14 -0.65 117.00 121.29 2wpw n LEU 27 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 2wpw n LEU 27 Cb 0.03 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.98 2wpw n LEU 27 CO 0.35 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.63 2wpw n ALA 29 N -0.04 0.00 -0.02 1.96 0.00 0.45 -1.49 120.51 121.37 2wpw n ALA 29 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2wpw n ALA 29 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 0.34 -0.99 0.00 5.85 -1.13 -2.81 115.31 116.57 2wpw h LEU 30 Ca 0.00 -0.72 0.16 0.00 0.84 0.00 0.00 57.88 58.16 2wpw h LEU 30 Cb 0.00 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 40.83 2wpw h LEU 30 CO 0.00 1.01 0.60 0.00 -0.34 0.00 0.00 178.44 179.72 2wpw h ALA 31 N 0.33 1.58 -0.15 1.25 0.00 -1.50 -1.90 119.26 118.87 2wpw h ALA 31 Ca -0.04 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2wpw h ALA 31 Cb 1.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2wpw h ALA 31 CO 0.07 0.04 0.13 0.00 0.00 0.00 0.00 179.25 179.49 2wpw h ALA 32 N 1.60 1.97 -0.28 0.00 0.00 -1.76 -1.71 119.26 119.09 2wpw h ALA 32 Ca 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 2wpw h ALA 32 Cb 0.74 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2wpw h ALA 32 CO -0.34 -0.21 0.08 0.93 0.00 0.00 0.00 179.25 179.71 2wpw h GLU 33 N 0.00 0.39 0.00 0.00 5.08 -1.37 -2.90 114.58 115.78 2wpw h GLU 33 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2wpw h GLU 33 Cb 0.33 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2wpw h GLU 33 CO -0.00 0.35 -0.02 0.25 -1.00 0.00 0.00 179.01 178.60 2wpw n THR 34 N -4.39 1.78 -1.55 1.13 -2.24 -0.69 -5.05 114.28 103.27 2wpw n THR 34 Ca 0.01 -2.12 0.00 0.00 -2.27 0.00 0.00 64.05 59.67 2wpw n THR 34 Cb 0.15 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.34 0.86 3.73 3.38 0.00 -0.95 -5.08 105.19 105.80 2wpw n GLY 35 Ca 0.15 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 2wpw n GLY 35 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wpw s PRO 36 N 0.56 1.49 0.08 1.61 0.02 -1.26 -4.92 135.00 132.59 2wpw s PRO 36 Ca 0.00 0.86 -0.31 0.00 0.02 0.00 0.00 61.00 61.57 2wpw s PRO 36 Cb 0.00 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.61 2wpw s PRO 36 CO 0.00 -2.09 1.58 0.50 -0.33 0.00 0.00 177.00 176.66 2wpw s ARG 37 N -4.95 4.22 -0.06 5.54 3.52 -1.26 -4.94 118.95 121.02 2wpw s ARG 37 Ca 0.63 2.26 -0.30 0.00 -0.13 0.00 0.00 55.73 58.19 2wpw s ARG 37 Cb -0.17 -3.49 0.10 0.00 -1.56 0.00 0.00 34.95 29.83 2wpw s ARG 37 CO 0.57 -0.66 0.82 0.00 -0.81 0.00 0.00 175.30 175.21 2wpw s ALA 38 N 2.21 -1.82 0.18 6.12 0.00 -1.26 -5.10 121.76 122.09 2wpw s ALA 38 Ca 0.71 1.29 -0.30 0.00 0.00 0.00 0.00 51.96 53.66 2wpw s ALA 38 Cb -0.39 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.53 2wpw s ALA 38 CO 0.31 -0.43 1.29 0.00 0.00 0.00 0.00 175.76 176.93 2wpw s ALA 39 N -1.69 3.51 0.89 0.00 0.00 -1.26 -4.96 121.76 118.25 2wpw s ALA 39 Ca -0.04 1.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 2wpw s ALA 39 Cb -0.00 -3.47 0.13 0.00 0.00 0.00 0.00 23.12 19.77 2wpw s ALA 39 CO 0.02 -0.51 1.13 -2.14 0.00 0.00 0.00 175.76 174.26 2wpw s PRO 40 N 0.01 1.27 0.45 0.00 0.02 -1.26 -4.86 135.00 130.63 2wpw s PRO 40 Ca 0.57 1.47 -0.24 0.00 0.02 0.00 0.00 61.00 62.81 2wpw s PRO 40 Cb -0.36 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 2wpw s PRO 40 CO 0.37 -2.43 1.28 -2.30 -0.33 0.00 0.00 177.00 173.59 2wpw n PRO 41 N -4.09 1.87 -3.70 5.54 -0.02 -1.26 -4.93 135.00 128.41 2wpw n PRO 41 Ca 0.11 0.67 -0.38 0.00 -2.02 0.00 0.00 63.50 61.88 2wpw n PRO 41 Cb 0.52 -2.43 -0.12 0.00 -0.02 0.00 0.00 33.50 31.46 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 8.30 0.19 -0.21 0.00 2.35 -1.99 0.28 115.58 124.49 2wpw h ASN 43 Ca -0.27 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.45 2wpw h ASN 43 Cb 1.10 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 2wpw h ASN 43 CO 0.62 0.14 0.03 0.58 -1.65 0.00 0.00 177.43 177.15 2wpw h VAL 44 N 0.23 1.23 0.00 2.81 2.07 -1.94 -0.79 116.25 119.86 2wpw h VAL 44 Ca 0.07 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2wpw h VAL 44 Cb -0.01 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2wpw h VAL 44 CO -0.01 0.24 0.00 -0.67 0.02 0.00 0.00 177.57 177.15 2wpw n ASP 45 N -4.72 0.00 0.00 0.57 4.64 0.09 -0.50 116.55 116.62 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 0.20 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.28 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 -0.35 0.00 -0.30 5.18 0.31 -0.30 -0.93 118.33 121.94 2wpw n VAL 47 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 2wpw n VAL 47 Cb 0.00 0.00 0.30 0.00 -0.91 0.00 0.00 33.84 33.23 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 1.43 1.73 2.92 0.00 -0.97 0.88 103.07 109.06 2wpw h GLY 48 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2wpw h GLY 48 CO 0.00 -0.34 0.00 -1.14 0.00 0.00 0.00 176.54 175.06 2wpw n SER 49 N -5.16 0.00 0.03 0.19 3.41 -0.11 -0.45 113.62 111.54 2wpw n SER 49 Ca 0.22 0.19 0.12 0.00 -0.26 0.00 0.00 58.87 59.13 2wpw n SER 49 Cb 0.68 -0.36 0.10 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.36 0.63 -0.03 1.04 4.77 0.29 -4.46 117.00 117.88 2wpw n LEU 50 Ca 0.07 0.04 -0.01 0.00 -0.03 0.00 0.00 56.01 56.09 2wpw n LEU 50 Cb 0.17 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 2wpw n LEU 50 CO 0.15 0.04 -0.73 0.54 -1.33 0.00 0.00 177.39 176.06 2wpw n ARG 51 N -1.91 1.56 -3.92 3.23 1.74 0.40 -4.66 116.66 113.11 2wpw n ARG 51 Ca 0.03 -0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 2wpw n ARG 51 Cb 0.41 -1.24 -0.16 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.43 2.17 0.18 -1.55 0.40 -0.74 -5.12 117.98 110.89 2wpw s PHE 52 Ca -0.04 -1.55 0.01 0.00 -0.60 0.00 0.00 56.93 54.75 2wpw s PHE 52 Cb 0.04 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 2wpw s PHE 52 CO 0.41 -0.73 0.34 0.00 0.70 0.00 0.00 175.22 175.93 2wpw s ALA 53 N 1.47 3.90 0.89 5.36 0.00 -1.26 -4.69 121.76 127.43 2wpw s ALA 53 Ca -0.04 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 2wpw s ALA 53 Cb -0.18 -1.88 0.12 0.00 0.00 0.00 0.00 23.12 21.18 2wpw s ALA 53 CO -0.07 0.47 1.10 -1.25 0.00 0.00 0.00 175.76 176.01 2wpw s PRO 54 N -3.33 1.32 0.56 0.00 0.04 -1.26 -4.93 135.00 127.39 2wpw s PRO 54 Ca 0.36 1.13 -0.21 0.00 0.04 0.00 0.00 61.00 62.32 2wpw s PRO 54 Cb -0.11 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2wpw s PRO 54 CO 0.29 -2.29 1.37 -1.25 0.04 0.00 0.00 177.00 175.16 2wpw s PRO 55 N -4.80 3.06 -1.30 0.56 0.04 -1.26 -3.75 135.00 127.55 2wpw s PRO 55 Ca 0.64 2.25 -0.02 0.00 0.04 0.00 0.00 61.00 63.90 2wpw s PRO 55 Cb -0.20 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.14 2wpw s PRO 55 CO 0.58 -1.26 0.89 0.00 0.04 0.00 0.00 177.00 177.25 2wpw n ALA 56 N -1.12 -1.86 -3.64 8.56 0.00 -1.26 -4.96 120.51 116.23 2wpw n ALA 56 Ca 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.45 2wpw n ALA 56 Cb 0.45 -2.77 -0.07 0.00 0.00 0.00 0.00 19.45 17.06 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 -3.49 -0.03 -0.02 0.00 2.01 -1.25 -2.49 115.64 110.38 2wpw s THR 57 Ca 0.14 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.11 2wpw s THR 57 Cb -0.06 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 2wpw s THR 57 CO 0.78 0.00 0.16 0.00 -0.69 0.00 0.00 174.62 174.87 2wpw s ALA 58 N 1.67 3.90 -0.06 7.40 0.00 -0.81 -4.73 121.76 129.14 2wpw s ALA 58 Ca -0.10 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2wpw s ALA 58 Cb -0.05 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 2wpw s ALA 58 CO -0.20 0.73 -0.01 -0.51 0.00 0.00 0.00 175.76 175.78 2wpw s LEU 59 N -1.85 3.50 -0.44 0.00 1.43 -1.26 -1.06 118.68 119.00 2wpw s LEU 59 Ca 0.26 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 2wpw s LEU 59 Cb -0.12 -1.85 0.13 0.00 0.03 0.00 0.00 46.19 44.38 2wpw s LEU 59 CO 0.17 0.35 0.23 -0.62 0.23 0.00 0.00 176.35 176.71 2wpw s ASP 60 N -1.04 3.84 -0.14 2.29 -1.08 -0.32 -5.00 116.67 115.22 2wpw s ASP 60 Ca 0.15 -2.61 -0.04 0.00 -0.52 0.00 0.00 52.55 49.52 2wpw s ASP 60 Cb -0.11 -1.16 -0.03 0.00 -1.46 0.00 0.00 42.92 40.16 2wpw s ASP 60 CO 0.04 -0.27 0.01 -1.81 0.52 0.00 0.00 175.17 173.66 2wpw s ASP 61 N 0.34 5.24 0.11 -0.34 1.01 -1.26 -1.87 116.67 119.90 2wpw s ASP 61 Ca 0.17 0.04 0.03 0.00 0.71 0.00 0.00 52.55 53.50 2wpw s ASP 61 Cb -0.24 -1.75 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 2wpw s ASP 61 CO -0.02 0.24 -0.09 0.26 0.21 0.00 0.00 175.17 175.78 2wpw s TRP 62 N -0.07 1.07 0.05 4.23 0.52 0.78 -0.83 118.94 124.69 2wpw s TRP 62 Ca 0.04 -0.76 0.04 0.00 0.02 0.00 0.00 56.10 55.44 2wpw s TRP 62 Cb -0.13 -0.58 -0.02 0.00 -1.15 0.00 0.00 33.47 31.59 2wpw s TRP 62 CO 0.02 -0.02 -0.11 0.08 0.02 0.00 0.00 176.95 176.94 2wpw s VAL 63 N -3.07 0.86 -0.02 4.03 1.01 -0.42 -1.26 120.40 121.53 2wpw s VAL 63 Ca 0.11 -1.09 0.07 0.00 0.00 0.00 0.00 61.98 61.08 2wpw s VAL 63 Cb 0.01 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 2wpw s VAL 63 CO -0.01 -0.21 -0.24 0.54 0.00 0.00 0.00 175.10 175.18 2wpw s VAL 64 N -1.14 2.25 0.05 2.92 0.11 0.46 -1.25 120.40 123.79 2wpw s VAL 64 Ca -0.04 -1.07 0.01 0.00 -2.93 0.00 0.00 61.98 57.95 2wpw s VAL 64 Cb -0.09 -1.81 -0.03 0.00 -1.53 0.00 0.00 36.38 32.92 2wpw s VAL 64 CO 0.01 0.56 -0.06 0.00 -3.33 0.00 0.00 175.10 172.28 2wpw s ARG 65 N -0.71 0.57 -0.05 1.54 1.70 0.62 -1.25 118.95 121.37 2wpw s ARG 65 Ca 0.11 -0.92 0.04 0.00 -0.47 0.00 0.00 55.73 54.48 2wpw s ARG 65 Cb -0.10 -0.14 -0.00 0.00 -0.57 0.00 0.00 34.95 34.14 2wpw s ARG 65 CO -0.00 -0.00 -0.17 0.45 -1.08 0.00 0.00 175.30 174.50 2wpw s SER 66 N -2.06 2.15 -1.17 -2.89 0.15 -0.68 -0.08 113.70 109.12 2wpw s SER 66 Ca -0.04 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2wpw s SER 66 Cb -0.04 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 2wpw s SER 66 CO -0.02 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.16 2wpw n GLY 67 N 3.28 -0.03 2.57 9.45 0.00 -1.26 -1.77 105.19 117.42 2wpw n GLY 67 Ca -0.19 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.04 0.67 3.32 -0.02 0.00 -1.26 -5.01 105.19 101.85 2wpw n GLY 68 Ca -0.16 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 2wpw n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wpw s ARG 69 N -2.06 1.95 -0.07 1.61 0.52 -0.73 -5.08 118.95 115.09 2wpw s ARG 69 Ca 0.00 -1.01 -0.30 0.00 -0.52 0.00 0.00 55.73 53.90 2wpw s ARG 69 Cb 0.00 -2.00 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 2wpw s ARG 69 CO 0.00 0.53 1.63 0.08 0.02 0.00 0.00 175.30 177.57 2wpw s VAL 70 N -0.70 3.63 -0.38 3.52 1.01 -1.26 -1.68 120.40 124.53 2wpw s VAL 70 Ca 0.11 0.75 0.04 0.00 0.00 0.00 0.00 61.98 62.88 2wpw s VAL 70 Cb -0.10 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2wpw s VAL 70 CO 0.00 -0.08 0.44 1.33 0.00 0.00 0.00 175.10 176.79 2wpw n VAL 71 N 5.55 0.00 -3.58 2.92 0.24 -0.38 -4.93 118.33 118.15 2wpw n VAL 71 Ca 0.17 -0.46 -0.06 0.00 -2.04 0.00 0.00 64.34 61.95 2wpw n VAL 71 Cb 0.43 1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 33.83 2wpw n VAL 71 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wpw s GLY 72 N -0.76 -0.39 -0.00 7.63 0.00 -0.98 -0.15 107.32 112.68 2wpw s GLY 72 Ca 0.03 0.79 -0.03 0.00 0.00 0.00 0.00 44.72 45.51 2wpw s GLY 72 CO 0.09 0.24 0.05 0.00 0.00 0.00 0.00 173.10 173.49 2wpw s ALA 73 N -3.09 -0.11 -0.08 3.20 0.00 -0.49 -0.41 121.76 120.79 2wpw s ALA 73 Ca 0.08 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.90 2wpw s ALA 73 Cb -0.01 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.16 2wpw s ALA 73 CO -0.05 -0.12 -0.08 -1.17 0.00 0.00 0.00 175.76 174.34 2wpw s LEU 74 N -0.78 1.31 -0.07 0.00 2.96 -0.39 -1.87 118.68 119.84 2wpw s LEU 74 Ca -0.09 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 2wpw s LEU 74 Cb -0.05 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.93 2wpw s LEU 74 CO 0.00 -0.06 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.68 2wpw s ARG 75 N 1.22 2.02 0.04 1.98 0.52 -0.21 -0.16 118.95 124.36 2wpw s ARG 75 Ca -0.05 -0.57 0.08 0.00 -0.52 0.00 0.00 55.73 54.67 2wpw s ARG 75 Cb -0.14 -1.64 -0.03 0.00 0.52 0.00 0.00 34.95 33.66 2wpw s ARG 75 CO -0.02 0.12 -0.22 -0.51 0.02 0.00 0.00 175.30 174.69 2wpw s LEU 76 N 0.41 2.16 -0.16 2.53 1.43 -0.78 -0.93 118.68 123.34 2wpw s LEU 76 Ca -0.12 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 2wpw s LEU 76 Cb -0.15 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 45.00 2wpw s LEU 76 CO 0.04 0.20 -0.17 0.00 0.23 0.00 0.00 176.35 176.65 2wpw s ALA 77 N -0.78 2.42 -0.63 4.21 0.00 -0.36 -1.18 121.76 125.44 2wpw s ALA 77 Ca 0.09 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 2wpw s ALA 77 Cb -0.09 -1.19 0.16 0.00 0.00 0.00 0.00 23.12 22.00 2wpw s ALA 77 CO 0.02 -0.11 0.43 -0.51 0.00 0.00 0.00 175.76 175.59 2wpw s LEU 78 N 0.94 5.07 0.25 0.00 1.02 -0.22 -1.53 118.68 124.22 2wpw s LEU 78 Ca -0.03 -2.98 -0.31 0.00 0.02 0.00 0.00 54.13 50.83 2wpw s LEU 78 Cb -0.15 -1.81 -0.11 0.00 0.02 0.00 0.00 46.19 44.14 2wpw s LEU 78 CO -0.03 -0.32 1.61 -2.16 0.02 0.00 0.00 176.35 175.47 2wpw s PRO 79 N -0.25 4.15 0.50 1.29 0.04 -1.26 -1.92 135.00 137.54 2wpw s PRO 79 Ca 0.18 2.54 -0.23 0.00 0.04 0.00 0.00 61.00 63.53 2wpw s PRO 79 Cb -0.20 -3.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.21 2wpw s PRO 79 CO -0.04 -0.64 1.26 -0.25 0.04 0.00 0.00 177.00 177.37 2wpw n ASP 80 N 2.84 2.32 0.00 6.66 8.00 -1.04 -2.95 116.55 132.39 2wpw n ASP 80 Ca 0.11 1.01 0.00 0.00 0.71 0.00 0.00 54.79 56.61 2wpw n ASP 80 Cb 0.37 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 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 0.87 1.41 3.72 0.44 0.00 -1.26 -4.98 105.19 105.39 2wpw n GLY 81 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 2.01 -0.34 4.61 0.00 -1.15 -4.92 121.76 121.96 2wpw s ALA 82 Ca 0.00 0.65 0.09 0.00 0.00 0.00 0.00 51.96 52.70 2wpw s ALA 82 Cb 0.00 -3.41 0.72 0.00 0.00 0.00 0.00 23.12 20.43 2wpw s ALA 82 CO 0.00 -2.02 1.80 -0.35 0.00 0.00 0.00 175.76 175.19 2wpw n PRO 83 N -3.23 3.36 -4.48 0.00 -0.04 -1.26 -4.90 135.00 124.45 2wpw n PRO 83 Ca 0.12 -3.08 -0.25 0.00 -0.04 0.00 0.00 63.50 60.25 2wpw n PRO 83 Cb 0.51 -2.18 -0.10 0.00 -0.04 0.00 0.00 33.50 31.69 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 -3.06 2.42 -0.11 0.52 2.01 -1.26 -1.61 115.64 114.55 2wpw s THR 84 Ca 0.55 -2.22 -0.01 0.00 0.31 0.00 0.00 61.69 60.31 2wpw s THR 84 Cb 0.44 -2.57 0.03 0.00 0.01 0.00 0.00 72.50 70.42 2wpw s THR 84 CO 0.12 -0.27 -0.01 0.00 -0.69 0.00 0.00 174.62 173.77 2wpw s ALA 85 N -2.55 0.94 -0.10 7.40 0.00 -0.69 -4.48 121.76 122.28 2wpw s ALA 85 Ca 0.32 -0.37 -0.21 0.00 0.00 0.00 0.00 51.96 51.69 2wpw s ALA 85 Cb -0.01 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2wpw s ALA 85 CO 0.17 -0.61 0.62 0.50 0.00 0.00 0.00 175.76 176.44 2wpw s ARG 86 N 1.87 4.37 -0.66 0.00 3.52 -0.58 -2.35 118.95 125.12 2wpw s ARG 86 Ca 0.04 0.71 -0.24 0.00 -0.13 0.00 0.00 55.73 56.11 2wpw s ARG 86 Cb -0.13 -3.46 0.06 0.00 -1.56 0.00 0.00 34.95 29.85 2wpw s ARG 86 CO -0.07 0.05 1.03 0.08 -0.81 0.00 0.00 175.30 175.58 2wpw s VAL 87 N 0.91 4.21 -0.48 7.11 1.01 0.26 -1.22 120.40 132.19 2wpw s VAL 87 Ca 0.33 -0.09 0.26 0.00 0.00 0.00 0.00 61.98 62.47 2wpw s VAL 87 Cb -0.17 -4.71 0.32 0.00 0.00 0.00 0.00 36.38 31.82 2wpw s VAL 87 CO 0.14 -1.48 1.74 0.44 0.00 0.00 0.00 175.10 175.94 2wpw h ASP 88 N 9.62 0.00 -2.73 3.32 3.45 -1.34 -3.42 116.42 125.32 2wpw h ASP 88 Ca -0.28 0.00 0.05 0.00 0.43 0.00 0.00 57.03 57.23 2wpw h ASP 88 Cb 1.07 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 39.61 2wpw h ASP 88 CO 1.19 0.00 0.09 -1.58 -1.57 0.00 0.00 179.24 177.36 2wpw s GLN 89 N -3.25 0.61 -0.29 3.56 0.74 -1.14 -4.92 119.66 114.97 2wpw s GLN 89 Ca 0.07 1.12 -0.01 0.00 0.05 0.00 0.00 55.36 56.59 2wpw s GLN 89 Cb 0.09 0.22 0.13 0.00 1.10 0.00 0.00 33.01 34.55 2wpw s GLN 89 CO 0.59 -0.14 0.29 -1.17 -0.55 0.00 0.00 175.29 174.31 2wpw s LEU 90 N 1.74 -0.24 -0.00 3.68 0.20 -1.25 -1.04 118.68 121.77 2wpw s LEU 90 Ca -0.09 -0.73 0.01 0.00 0.69 0.00 0.00 54.13 54.01 2wpw s LEU 90 Cb -0.06 0.51 -0.00 0.00 -0.43 0.00 0.00 46.19 46.21 2wpw s LEU 90 CO -0.19 -0.39 -0.03 -0.22 -0.29 0.00 0.00 176.35 175.24 2wpw s LEU 91 N 2.36 2.02 -0.10 -0.68 2.96 -0.78 -5.01 118.68 119.45 2wpw s LEU 91 Ca 0.09 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 2wpw s LEU 91 Cb -0.14 -0.14 0.01 0.00 0.50 0.00 0.00 46.19 46.42 2wpw s LEU 91 CO -0.32 0.02 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.87 2wpw s VAL 92 N -0.13 1.56 -0.09 1.68 1.01 -1.26 -1.39 120.40 121.77 2wpw s VAL 92 Ca 0.00 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 2wpw s VAL 92 Cb -0.02 -1.40 -0.13 0.00 0.00 0.00 0.00 36.38 34.84 2wpw s VAL 92 CO -0.00 0.45 0.76 1.57 0.00 0.00 0.00 175.10 177.88 2wpw n HIS 93 N 3.94 0.60 0.32 5.22 -0.00 0.79 -4.76 115.22 121.33 2wpw n HIS 93 Ca -0.20 0.68 0.21 0.00 0.46 0.00 0.00 57.72 58.87 2wpw n HIS 93 Cb 0.52 -1.33 1.10 0.00 -0.12 0.00 0.00 29.99 30.15 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 2.24 0.00 -0.54 1.57 0.13 -1.90 -0.17 132.00 133.32 2wpw h PRO 94 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2wpw h PRO 94 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2wpw h PRO 94 CO 0.47 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.65 2wpw n GLY 95 N -0.86 1.55 1.03 1.56 0.00 -1.26 -3.93 105.19 103.29 2wpw n GLY 95 Ca -0.02 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 0.82 0.15 -2.45 1.61 5.12 -0.08 -5.10 116.66 116.74 2wpw n ARG 96 Ca 0.17 -1.76 -0.33 0.00 -1.93 0.00 0.00 57.85 54.01 2wpw n ARG 96 Cb 0.51 -0.34 -0.03 0.00 -1.16 0.00 0.00 32.46 31.44 2wpw n ARG 96 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2wpw s ARG 97 N -0.32 3.89 -0.37 5.56 1.81 -1.21 -4.03 118.95 124.28 2wpw s ARG 97 Ca 0.22 1.08 0.00 0.00 -1.72 0.00 0.00 55.73 55.31 2wpw s ARG 97 Cb 0.25 -2.12 0.00 0.00 -0.45 0.00 0.00 34.95 32.62 2wpw s ARG 97 CO -0.10 -0.32 0.00 0.54 -0.68 0.00 0.00 175.30 174.74 2wpw n ARG 98 N -1.38 -0.30 -0.24 3.54 5.12 -1.26 -4.89 116.66 117.25 2wpw n ARG 98 Ca 0.07 0.34 0.09 0.00 -1.93 0.00 0.00 57.85 56.42 2wpw n ARG 98 Cb 0.54 -4.04 0.19 0.00 -1.16 0.00 0.00 32.46 27.98 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 -1.87 1.90 -1.07 5.56 1.74 -1.26 -4.99 116.66 116.68 2wpw n ARG 99 Ca -0.04 -2.72 -0.02 0.00 -0.77 0.00 0.00 57.85 54.29 2wpw n ARG 99 Cb 0.40 -1.64 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.08 0.58 0.23 -0.13 0.00 -1.26 -4.92 105.19 98.59 2wpw n GLY 100 Ca 0.19 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 1.29 -0.58 -0.61 2.04 -1.94 -2.62 117.51 115.10 2wpw h ILE 101 Ca -0.05 -1.41 0.08 0.00 1.00 0.00 0.00 64.86 64.48 2wpw h ILE 101 Cb 0.25 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.73 2wpw h ILE 101 CO 0.07 0.46 0.22 1.23 0.00 0.00 0.00 178.15 180.13 2wpw h GLY 102 N 0.53 0.80 1.83 5.37 0.00 -1.93 0.22 103.07 109.88 2wpw h GLY 102 Ca 0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 2wpw h GLY 102 CO 0.07 -0.00 -0.21 -0.09 0.00 0.00 0.00 176.54 176.31 2wpw h ARG 103 N 0.40 0.21 -0.13 4.80 2.43 -1.96 -1.34 114.38 118.79 2wpw h ARG 103 Ca 0.29 -0.06 -0.23 0.00 -0.81 0.00 0.00 59.98 59.17 2wpw h ARG 103 Cb 0.33 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2wpw h ARG 103 CO -0.28 0.42 -0.80 0.00 -1.51 0.00 0.00 179.97 177.79 2wpw h ALA 104 N 1.60 0.27 -0.98 2.80 0.00 -0.81 -1.56 119.26 120.57 2wpw h ALA 104 Ca 0.03 -0.61 0.05 0.00 0.00 0.00 0.00 54.91 54.39 2wpw h ALA 104 Cb 0.48 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2wpw h ALA 104 CO 0.03 0.66 0.63 -0.07 0.00 0.00 0.00 179.25 180.51 2wpw h LEU 105 N 0.49 1.03 -0.61 0.00 3.38 -0.79 -1.74 115.31 117.07 2wpw h LEU 105 Ca -0.06 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2wpw h LEU 105 Cb 1.44 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2wpw h LEU 105 CO 0.16 0.68 -0.42 -0.25 0.09 0.00 0.00 178.44 178.70 2wpw h TRP 106 N 1.19 0.75 -0.43 1.13 2.91 -0.98 0.11 115.95 120.62 2wpw h TRP 106 Ca 0.41 -0.22 -0.04 0.00 1.13 0.00 0.00 58.89 60.17 2wpw h TRP 106 Cb 0.10 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.57 2wpw h TRP 106 CO -0.01 0.94 0.12 0.00 -1.03 0.00 0.00 178.44 178.47 2wpw h ALA 107 N 1.03 0.56 -0.06 2.65 0.00 -0.94 -0.69 119.26 121.81 2wpw h ALA 107 Ca 0.04 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2wpw h ALA 107 Cb 0.94 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2wpw h ALA 107 CO 0.08 0.23 -0.07 1.25 0.00 0.00 0.00 179.25 180.74 2wpw h HIS 108 N 0.55 -0.18 -0.54 0.00 -0.00 -0.94 -0.49 115.15 113.56 2wpw h HIS 108 Ca 0.14 0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.61 2wpw h HIS 108 Cb 0.28 0.09 -0.11 0.00 -0.00 0.00 0.00 27.41 27.68 2wpw h HIS 108 CO 0.01 -0.12 -0.35 0.00 -0.00 0.00 0.00 177.93 177.48 2wpw h ALA 109 N 0.94 -0.12 -0.41 5.26 0.00 -0.49 0.31 119.26 124.75 2wpw h ALA 109 Ca 0.05 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2wpw h ALA 109 Cb 0.17 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2wpw h ALA 109 CO -0.12 -0.71 0.19 0.00 0.00 0.00 0.00 179.25 178.61 2wpw h ARG 110 N -0.20 0.56 -0.33 0.00 3.08 -0.83 0.07 114.38 116.74 2wpw h ARG 110 Ca 0.21 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 2wpw h ARG 110 Cb 0.55 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2wpw h ARG 110 CO -0.64 0.44 0.10 1.49 -1.07 0.00 0.00 179.97 180.29 2wpw h GLU 111 N 0.57 0.50 -0.04 0.04 4.81 0.28 -0.75 114.58 119.99 2wpw h GLU 111 Ca 0.14 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2wpw h GLU 111 Cb 0.07 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 2wpw h GLU 111 CO -0.02 0.54 0.02 -0.07 -0.73 0.00 0.00 179.01 178.75 2wpw h LEU 112 N 0.37 0.05 -0.05 1.64 3.38 0.09 -1.67 115.31 119.13 2wpw h LEU 112 Ca 0.10 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2wpw h LEU 112 Cb 0.25 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2wpw h LEU 112 CO -0.00 0.16 -0.14 0.00 0.09 0.00 0.00 178.44 178.54 2wpw h ALA 113 N 0.89 -0.13 -0.77 1.53 0.00 -0.93 -1.95 119.26 117.91 2wpw h ALA 113 Ca 0.01 0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.12 2wpw h ALA 113 Cb 0.12 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.06 2wpw h ALA 113 CO -0.00 -0.62 0.19 -0.09 0.00 0.00 0.00 179.25 178.73 2wpw h ARG 114 N -0.22 0.26 -0.19 0.00 2.43 -1.14 0.53 114.38 116.05 2wpw h ARG 114 Ca 0.06 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 2wpw h ARG 114 Cb 0.30 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2wpw h ARG 114 CO -0.17 0.17 -0.20 -0.22 -1.51 0.00 0.00 179.97 178.04 2wpw h LYS 115 N 0.27 0.34 -0.64 0.20 3.64 -0.75 -2.88 116.57 116.74 2wpw h LYS 115 Ca 0.44 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2wpw h LYS 115 Cb 0.78 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2wpw h LYS 115 CO -0.53 0.53 0.00 0.72 -2.27 0.00 0.00 179.45 177.90 2wpw n HIS 116 N -4.18 1.59 -3.58 1.91 8.25 -0.75 -4.91 115.22 113.55 2wpw n HIS 116 Ca -0.00 -0.58 -0.23 0.00 -0.26 0.00 0.00 57.72 56.65 2wpw n HIS 116 Cb 0.34 -0.37 0.08 0.00 1.12 0.00 0.00 29.99 31.17 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 0.68 -5.42 -4.62 0.41 10.43 -1.02 -5.00 116.55 112.01 2wpw n ASP 117 Ca 0.23 -0.57 -0.34 0.00 2.57 0.00 0.00 54.79 56.68 2wpw n ASP 117 Cb 0.95 -5.01 -0.10 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 -6.13 2.90 0.09 -1.24 3.00 0.11 -4.83 118.95 112.84 2wpw s ARG 118 Ca 0.47 -0.48 0.22 0.00 0.00 0.00 0.00 55.73 55.93 2wpw s ARG 118 Cb -0.21 -2.70 -0.16 0.00 0.00 0.00 0.00 34.95 31.88 2wpw s ARG 118 CO 0.73 0.66 0.77 0.25 0.00 0.00 0.00 175.30 177.71 2wpw n THR 119 N 2.26 0.37 -4.09 0.02 -2.24 -0.63 -3.89 114.28 106.08 2wpw n THR 119 Ca -0.18 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 60.93 2wpw n THR 119 Cb 0.53 -0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.45 2wpw n THR 119 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wpw s THR 120 N -3.41 0.62 -0.02 4.28 -4.23 -1.18 -0.22 115.64 111.47 2wpw s THR 120 Ca -0.04 -1.25 0.04 0.00 -1.18 0.00 0.00 61.69 59.26 2wpw s THR 120 Cb 0.11 -0.84 -0.03 0.00 1.34 0.00 0.00 72.50 73.09 2wpw s THR 120 CO 0.85 -0.46 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.56 2wpw s LEU 121 N -1.86 2.75 0.17 4.79 1.02 0.51 -1.70 118.68 124.36 2wpw s LEU 121 Ca -0.05 -0.25 0.09 0.00 0.02 0.00 0.00 54.13 53.94 2wpw s LEU 121 Cb -0.07 -1.58 -0.04 0.00 0.02 0.00 0.00 46.19 44.52 2wpw s LEU 121 CO -0.00 0.32 -0.18 0.42 0.02 0.00 0.00 176.35 176.92 2wpw s THR 122 N -0.81 1.85 0.06 5.49 -4.23 -0.99 -0.45 115.64 116.57 2wpw s THR 122 Ca 0.13 -1.96 -0.26 0.00 -1.18 0.00 0.00 61.69 58.41 2wpw s THR 122 Cb -0.11 -1.89 0.07 0.00 1.34 0.00 0.00 72.50 71.92 2wpw s THR 122 CO 0.02 -0.34 0.63 0.00 -0.54 0.00 0.00 174.62 174.40 2wpw s ALA 123 N -2.13 -1.65 -0.15 3.99 0.00 -0.88 -0.58 121.76 120.36 2wpw s ALA 123 Ca 0.17 0.84 -0.03 0.00 0.00 0.00 0.00 51.96 52.94 2wpw s ALA 123 Cb -0.05 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 2wpw s ALA 123 CO 0.07 -0.58 -0.04 0.99 0.00 0.00 0.00 175.76 176.19 2wpw s THR 124 N -2.58 3.83 -0.08 0.00 2.01 -1.26 -0.42 115.64 117.15 2wpw s THR 124 Ca -0.04 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.60 2wpw s THR 124 Cb -0.01 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.84 2wpw s THR 124 CO -0.02 0.50 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.54 2wpw s VAL 125 N 0.37 1.50 -0.15 3.82 1.01 0.16 -4.88 120.40 122.22 2wpw s VAL 125 Ca -0.05 -0.69 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 2wpw s VAL 125 Cb -0.14 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2wpw s VAL 125 CO 0.03 0.44 0.96 -0.69 0.00 0.00 0.00 175.10 175.84 2wpw s VAL 126 N 0.56 4.79 0.25 2.92 1.01 -1.26 -0.26 120.40 128.40 2wpw s VAL 126 Ca -0.16 1.91 0.02 0.00 0.00 0.00 0.00 61.98 63.75 2wpw s VAL 126 Cb -0.17 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2wpw s VAL 126 CO 0.05 -0.03 0.18 -1.61 0.00 0.00 0.00 175.10 173.70 2wpw s GLU 127 N 2.33 1.40 0.51 2.72 2.02 -0.38 -4.72 118.70 122.58 2wpw s GLU 127 Ca 0.44 -1.77 -0.17 0.00 0.02 0.00 0.00 54.97 53.48 2wpw s GLU 127 Cb -0.17 0.28 -0.08 0.00 0.10 0.00 0.00 34.13 34.27 2wpw s GLU 127 CO 0.13 -0.48 1.00 -1.12 0.02 0.00 0.00 175.26 174.81 2wpw s SER 128 N -3.24 6.49 -0.20 -0.19 0.01 -1.26 -0.19 113.70 115.13 2wpw s SER 128 Ca 0.40 1.67 -0.05 0.00 1.31 0.00 0.00 55.95 59.27 2wpw s SER 128 Cb 0.05 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 2wpw s SER 128 CO 0.18 -0.67 0.01 -0.22 0.41 0.00 0.00 173.24 172.94 2wpw s LEU 129 N -3.96 3.30 0.12 2.44 2.96 -1.26 -4.61 118.68 117.67 2wpw s LEU 129 Ca 0.61 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 54.29 2wpw s LEU 129 Cb -0.11 -1.84 0.18 0.00 0.50 0.00 0.00 46.19 44.91 2wpw s LEU 129 CO 0.28 0.07 0.71 -2.65 -1.32 0.00 0.00 176.35 173.44 2wpw n PRO 130 N 4.23 -0.06 0.00 0.98 -0.02 -1.26 -2.19 135.00 136.68 2wpw n PRO 130 Ca -0.17 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2wpw n PRO 130 Cb 0.52 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 -4.72 0.00 -3.64 2.55 3.41 -1.26 -4.97 113.62 105.00 2wpw n SER 131 Ca 0.06 0.10 -0.18 0.00 -0.26 0.00 0.00 58.87 58.60 2wpw n SER 131 Cb 0.21 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.30 2wpw n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wpw n GLY 132 N 0.32 -2.41 3.77 5.00 0.00 -0.93 -4.91 105.19 106.04 2wpw n GLY 132 Ca 0.00 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2wpw n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wpw s PRO 133 N -3.35 4.26 0.23 1.61 0.04 -1.26 -4.50 135.00 132.03 2wpw s PRO 133 Ca 0.35 2.28 -0.30 0.00 0.04 0.00 0.00 61.00 63.37 2wpw s PRO 133 Cb -0.06 -3.01 -0.15 0.00 0.04 0.00 0.00 34.50 31.32 2wpw s PRO 133 CO 0.33 -0.29 1.03 0.00 0.04 0.00 0.00 177.00 178.11 2wpw n ALA 134 N 0.65 -0.70 -2.60 8.56 0.00 -1.26 -4.65 120.51 120.50 2wpw n ALA 134 Ca 0.01 0.42 -0.29 0.00 0.00 0.00 0.00 53.44 53.58 2wpw n ALA 134 Cb 0.41 -1.98 -0.09 0.00 0.00 0.00 0.00 19.45 17.79 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 -1.02 2.19 -0.25 0.00 -1.52 -1.26 -5.02 119.66 112.77 2wpw s GLN 135 Ca 0.65 -1.02 -0.41 0.00 -1.95 0.00 0.00 55.36 52.63 2wpw s GLN 135 Cb -0.78 -2.33 -0.17 0.00 -0.22 0.00 0.00 33.01 29.51 2wpw s GLN 135 CO 0.56 0.50 1.65 -3.47 -0.25 0.00 0.00 175.29 174.29 2wpw n ASP 136 N 0.58 2.05 -0.15 5.90 4.64 -1.26 -4.81 116.55 123.51 2wpw n ASP 136 Ca -0.13 1.10 0.15 0.00 -1.38 0.00 0.00 54.79 54.53 2wpw n ASP 136 Cb 0.53 -1.10 0.75 0.00 -1.04 0.00 0.00 41.12 40.25 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 4.70 1.06 0.08 -0.67 -0.04 -1.26 -4.29 135.00 134.58 2wpw n PRO 137 Ca 0.26 -0.30 -0.12 0.00 -0.04 0.00 0.00 63.50 63.30 2wpw n PRO 137 Cb 0.11 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 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 4.96 -0.57 0.21 0.55 0.00 -1.95 -1.75 103.07 104.52 2wpw h GLY 138 Ca 0.00 0.39 0.13 0.00 0.00 0.00 0.00 47.33 47.85 2wpw h GLY 138 CO 0.00 -0.24 0.33 -2.55 0.00 0.00 0.00 176.54 174.08 2wpw h PRO 139 N -0.50 0.48 -0.46 4.80 0.11 -1.90 0.15 132.00 134.67 2wpw h PRO 139 Ca 0.05 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 2wpw h PRO 139 Cb 0.57 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 2wpw h PRO 139 CO -0.24 0.32 0.23 0.00 -0.21 0.00 0.00 178.00 178.10 2wpw h ALA 140 N 1.53 0.59 -0.38 -0.75 0.00 -1.71 -0.92 119.26 117.62 2wpw h ALA 140 Ca 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2wpw h ALA 140 Cb 0.59 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2wpw h ALA 140 CO -0.38 0.15 0.11 0.00 0.00 0.00 0.00 179.25 179.13 2wpw h ALA 141 N 1.07 0.50 -0.58 0.00 0.00 -0.26 0.11 119.26 120.10 2wpw h ALA 141 Ca 0.16 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.01 2wpw h ALA 141 Cb 0.11 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 2wpw h ALA 141 CO -0.02 0.15 0.01 0.35 0.00 0.00 0.00 179.25 179.74 2wpw h PHE 142 N 0.46 -0.03 0.02 0.00 3.57 -0.69 0.20 116.94 120.47 2wpw h PHE 142 Ca 0.12 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2wpw h PHE 142 Cb 0.28 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2wpw h PHE 142 CO 0.01 -0.14 -0.01 0.00 -2.23 0.00 0.00 178.31 175.94 2wpw h ALA 143 N 1.52 -0.02 -0.93 2.41 0.00 -0.24 -1.55 119.26 120.45 2wpw h ALA 143 Ca 0.30 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.24 2wpw h ALA 143 Cb 0.48 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2wpw h ALA 143 CO -0.49 -0.47 0.59 0.00 0.00 0.00 0.00 179.25 178.88 2wpw h ALA 144 N 0.87 1.31 0.00 0.00 0.00 -0.54 -1.28 119.26 119.62 2wpw h ALA 144 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2wpw h ALA 144 Cb 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2wpw h ALA 144 CO 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 179.25 179.45 2wpw n ALA 145 N -2.36 4.64 -2.11 0.00 0.00 0.67 -3.94 120.51 117.42 2wpw n ALA 145 Ca 0.15 -0.99 -0.00 0.00 0.00 0.00 0.00 53.44 52.59 2wpw n ALA 145 Cb 0.21 -1.98 -0.01 0.00 0.00 0.00 0.00 19.45 17.67 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 2.31 0.74 3.88 0.00 0.00 -1.14 -5.06 105.19 105.93 2wpw n GLY 147 Ca 0.23 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 3.12 0.09 4.61 0.00 -0.50 -4.77 121.76 124.31 2wpw s ALA 148 Ca 0.07 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.81 2wpw s ALA 148 Cb 0.08 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 2wpw s ALA 148 CO -0.04 -0.74 -0.11 -1.01 0.00 0.00 0.00 175.76 173.86 2wpw s HIS 149 N -3.13 1.09 0.17 0.00 3.76 -0.42 -4.28 115.29 112.48 2wpw s HIS 149 Ca 0.54 -0.59 -0.31 0.00 -0.15 0.00 0.00 55.06 54.56 2wpw s HIS 149 Cb -0.11 -0.60 -0.09 0.00 1.11 0.00 0.00 32.58 32.89 2wpw s HIS 149 CO 0.51 0.02 1.45 1.03 -0.85 0.00 0.00 174.74 176.90 2wpw s ARG 150 N -2.44 4.28 0.79 1.40 0.52 -1.26 -1.09 118.95 121.16 2wpw s ARG 150 Ca 0.03 2.21 -0.08 0.00 -0.52 0.00 0.00 55.73 57.37 2wpw s ARG 150 Cb -0.05 -3.18 0.12 0.00 0.52 0.00 0.00 34.95 32.36 2wpw s ARG 150 CO 0.01 -0.46 1.11 -1.54 0.02 0.00 0.00 175.30 174.44 2wpw s SER 151 N 0.84 4.17 0.00 0.23 1.04 0.39 -4.88 113.70 115.49 2wpw s SER 151 Ca 0.64 0.23 0.12 0.00 0.48 0.00 0.00 55.95 57.42 2wpw s SER 151 Cb -0.40 -0.63 0.41 0.00 0.10 0.00 0.00 66.02 65.50 2wpw s SER 151 CO 0.35 -2.02 1.31 -0.67 0.98 0.00 0.00 173.24 173.18 2wpw n ASP 152 N -3.18 1.41 -4.76 7.02 2.03 -1.26 -4.86 116.55 112.95 2wpw n ASP 152 Ca 0.12 -1.90 -0.40 0.00 0.52 0.00 0.00 54.79 53.13 2wpw n ASP 152 Cb 0.60 -0.15 -0.04 0.00 -0.72 0.00 0.00 41.12 40.81 2wpw n ASP 152 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wpw s ILE 153 N -1.69 3.38 0.31 5.18 1.01 -1.26 -5.00 121.20 123.13 2wpw s ILE 153 Ca 0.22 1.36 -0.29 0.00 0.00 0.00 0.00 60.65 61.94 2wpw s ILE 153 Cb 0.11 -3.86 -0.10 0.00 0.01 0.00 0.00 42.46 38.62 2wpw s ILE 153 CO 0.16 0.31 1.26 -2.16 0.00 0.00 0.00 174.94 174.52 2wpw s PRO 154 N -1.35 4.42 1.01 2.79 0.04 -1.26 -4.82 135.00 135.82 2wpw s PRO 154 Ca 0.46 2.12 -0.16 0.00 0.04 0.00 0.00 61.00 63.46 2wpw s PRO 154 Cb -0.33 -3.10 0.21 0.00 0.04 0.00 0.00 34.50 31.31 2wpw s PRO 154 CO 0.42 -0.11 1.24 0.00 0.04 0.00 0.00 177.00 178.60 2wpw s ALA 155 N -1.07 1.79 -0.15 8.56 0.00 -1.26 -4.67 121.76 124.96 2wpw s ALA 155 Ca 0.48 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.32 2wpw s ALA 155 Cb -0.38 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 2wpw s ALA 155 CO 0.50 -2.67 0.19 0.20 0.00 0.00 0.00 175.76 173.98 2wpw s GLY 156 N -4.52 2.16 -0.44 0.00 0.00 -0.66 -0.61 107.32 103.25 2wpw s GLY 156 Ca 0.71 -0.59 -0.20 0.00 0.00 0.00 0.00 44.72 44.64 2wpw s GLY 156 CO 0.54 0.00 0.62 -1.59 0.00 0.00 0.00 173.10 172.67 2wpw s THR 157 N -0.26 4.86 -0.19 0.90 2.01 0.47 0.25 115.64 123.67 2wpw s THR 157 Ca 0.14 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.99 2wpw s THR 157 Cb -0.12 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 2wpw s THR 157 CO 0.03 -0.60 0.40 -2.28 -0.69 0.00 0.00 174.62 171.48 2wpw s HIS 158 N 2.73 3.39 0.19 4.92 2.46 -0.41 -2.00 115.29 126.57 2wpw s HIS 158 Ca 0.21 0.64 0.10 0.00 0.47 0.00 0.00 55.06 56.48 2wpw s HIS 158 Cb -0.15 -2.52 -0.04 0.00 -0.13 0.00 0.00 32.58 29.74 2wpw s HIS 158 CO 0.18 0.01 -0.21 -0.65 -2.47 0.00 0.00 174.74 171.60 2wpw s GLN 159 N 1.23 1.44 -0.04 2.88 -0.21 0.80 -0.35 119.66 125.41 2wpw s GLN 159 Ca 0.20 -1.50 0.05 0.00 0.02 0.00 0.00 55.36 54.12 2wpw s GLN 159 Cb -0.15 -1.64 -0.01 0.00 1.00 0.00 0.00 33.01 32.21 2wpw s GLN 159 CO 0.08 0.34 -0.20 -1.58 -2.12 0.00 0.00 175.29 171.82 2wpw s TRP 160 N -1.89 1.90 -0.20 0.91 0.52 -0.42 -1.63 118.94 118.13 2wpw s TRP 160 Ca 0.20 -0.52 -0.03 0.00 0.02 0.00 0.00 56.10 55.76 2wpw s TRP 160 Cb -0.07 -1.26 -0.01 0.00 -1.15 0.00 0.00 33.47 30.98 2wpw s TRP 160 CO 0.09 -0.15 -0.05 -1.17 0.02 0.00 0.00 176.95 175.68 2wpw s LEU 161 N -0.10 2.92 -0.34 2.99 2.96 0.19 -0.40 118.68 126.90 2wpw s LEU 161 Ca -0.02 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2wpw s LEU 161 Cb -0.11 -1.73 0.07 0.00 0.50 0.00 0.00 46.19 44.92 2wpw s LEU 161 CO 0.02 0.04 0.08 -0.62 -1.32 0.00 0.00 176.35 174.55 2wpw s ASP 162 N 1.14 5.06 0.05 3.68 -1.08 -1.26 -1.34 116.67 122.92 2wpw s ASP 162 Ca 0.02 -1.54 0.16 0.00 -0.52 0.00 0.00 52.55 50.67 2wpw s ASP 162 Cb -0.15 -1.77 0.68 0.00 -1.46 0.00 0.00 42.92 40.23 2wpw s ASP 162 CO -0.01 -0.37 1.51 0.18 0.52 0.00 0.00 175.17 177.00 2wpw n LEU 163 N 4.62 0.13 0.05 -1.34 4.32 0.68 -1.36 117.00 124.10 2wpw n LEU 163 Ca -0.09 0.53 0.13 0.00 -0.02 0.00 0.00 56.01 56.56 2wpw n LEU 163 Cb 0.43 -0.52 0.39 0.00 -1.62 0.00 0.00 43.42 42.10 2wpw n LEU 163 CO 0.29 -0.32 0.71 0.47 -1.22 0.00 0.00 177.39 177.32 2wpw n ASP 164 N -1.64 0.49 -0.01 -1.43 10.43 -1.26 -4.16 116.55 118.97 2wpw n ASP 164 Ca 0.03 0.30 0.02 0.00 2.57 0.00 0.00 54.79 57.72 2wpw n ASP 164 Cb 0.18 -0.31 -0.06 0.00 1.84 0.00 0.00 41.12 42.78 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 -1.87 0.71 -3.81 -1.24 1.74 -0.46 -5.03 116.66 106.70 2wpw n ARG 165 Ca 0.05 -0.05 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2wpw n ARG 165 Cb 0.39 -1.17 -0.14 0.00 -1.02 0.00 0.00 32.46 30.52 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 -2.44 -0.10 -0.39 -1.55 2.46 -0.94 -5.09 115.29 107.23 2wpw s HIS 166 Ca -0.03 0.29 0.00 0.00 0.47 0.00 0.00 55.06 55.79 2wpw s HIS 166 Cb 0.04 -0.02 0.11 0.00 -0.13 0.00 0.00 32.58 32.58 2wpw s HIS 166 CO 0.30 -0.08 0.15 0.34 -2.47 0.00 0.00 174.74 172.97 2wpw s ASP 167 N 0.42 5.04 0.59 9.88 3.68 -1.26 -4.34 116.67 130.68 2wpw s ASP 167 Ca -0.03 -2.13 0.37 0.00 2.13 0.00 0.00 52.55 52.90 2wpw s ASP 167 Cb -0.05 -1.74 1.82 0.00 -1.45 0.00 0.00 42.92 41.50 2wpw s ASP 167 CO -0.02 -0.47 2.16 1.55 0.13 0.00 0.00 175.17 178.53 2wpw h PRO 168 N 7.81 0.00 -0.59 4.34 0.13 -1.97 -1.55 132.00 140.17 2wpw h PRO 168 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2wpw h PRO 168 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2wpw h PRO 168 CO 0.62 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.70 2wpw n LEU 169 N -3.18 3.32 -0.17 1.56 4.32 -1.26 -4.57 117.00 117.03 2wpw n LEU 169 Ca -0.01 -1.67 -0.05 0.00 -0.02 0.00 0.00 56.01 54.26 2wpw n LEU 169 Cb 0.20 -0.45 0.05 0.00 -1.62 0.00 0.00 43.42 41.59 2wpw n LEU 169 CO 0.25 0.61 1.04 0.00 -1.22 0.00 0.00 177.39 178.07 2wpw h ALA 170 N 3.71 0.67 -0.19 -1.18 0.00 -1.70 0.71 119.26 121.27 2wpw h ALA 170 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wpw h ALA 170 Cb 1.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2wpw h ALA 170 CO 0.14 -0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.10 2wpw n ASP 171 N -4.84 1.05 0.00 0.00 10.43 -1.26 -5.04 116.55 116.88 2wpw n ASP 171 Ca 0.04 -1.94 0.00 0.00 2.57 0.00 0.00 54.79 55.46 2wpw n ASP 171 Cb 0.11 -0.12 0.00 0.00 1.84 0.00 0.00 41.12 42.95 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 0.84 -2.02 3.72 0.44 0.00 0.25 -4.82 105.19 103.60 2wpw n GLY 172 Ca 0.08 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 4.88 0.98 1.61 1.01 -1.26 -4.76 120.40 122.86 2wpw s VAL 173 Ca 0.00 1.71 -0.11 0.00 0.00 0.00 0.00 61.98 63.59 2wpw s VAL 173 Cb 0.00 -4.16 0.18 0.00 0.00 0.00 0.00 36.38 32.40 2wpw s VAL 173 CO 0.00 0.26 1.11 -2.65 0.00 0.00 0.00 175.10 173.81 2wpw n PRO 174 N 3.52 -0.93 -2.48 2.72 -0.02 -1.26 -4.94 135.00 131.60 2wpw n PRO 174 Ca 0.01 -0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 60.87 2wpw n PRO 174 Cb 0.51 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 2wpw n PRO 174 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wpw s ALA 175 N -2.58 3.39 0.16 3.55 0.00 -1.26 -4.99 121.76 120.02 2wpw s ALA 175 Ca 0.67 0.85 -0.31 0.00 0.00 0.00 0.00 51.96 53.17 2wpw s ALA 175 Cb -0.24 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 2wpw s ALA 175 CO 0.60 -0.24 1.68 0.08 0.00 0.00 0.00 175.76 177.87 2wpw s VAL 176 N -0.29 2.47 0.50 0.00 1.01 -1.26 -4.98 120.40 117.85 2wpw s VAL 176 Ca 0.50 0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.51 2wpw s VAL 176 Cb -0.30 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.85 2wpw s VAL 176 CO 0.36 0.01 1.16 -2.16 0.00 0.00 0.00 175.10 174.47 2wpw s PRO 177 N 1.64 3.56 0.17 2.72 0.04 -1.26 -4.92 135.00 136.95 2wpw s PRO 177 Ca 0.74 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 63.20 2wpw s PRO 177 Cb -0.46 -2.23 -0.17 0.00 0.04 0.00 0.00 34.50 31.68 2wpw s PRO 177 CO 0.32 -0.71 0.79 0.00 0.04 0.00 0.00 177.00 177.44 2wpw n ALA 178 N -0.85 -2.36 -0.32 8.56 0.00 -1.26 -2.21 120.51 122.07 2wpw n ALA 178 Ca 0.09 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2wpw n ALA 178 Cb 0.49 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 1.80 1.55 3.47 0.00 0.00 -1.26 -5.06 105.19 105.69 2wpw n GLY 179 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.03 2.35 0.20 1.61 1.51 -0.94 -0.92 117.35 118.12 2wpw s TYR 180 Ca 0.00 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 2wpw s TYR 180 Cb 0.00 -1.09 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 2wpw s TYR 180 CO 0.00 0.60 -0.02 -1.12 -1.11 0.00 0.00 175.55 173.90 2wpw s SER 181 N -3.11 1.65 -0.03 2.29 0.01 -0.41 -4.84 113.70 109.27 2wpw s SER 181 Ca 0.26 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2wpw s SER 181 Cb -0.07 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 2wpw s SER 181 CO 0.13 -0.49 0.01 -0.76 0.41 0.00 0.00 173.24 172.54 2wpw s LEU 182 N -3.24 3.59 0.17 2.44 1.43 -1.26 -1.30 118.68 120.50 2wpw s LEU 182 Ca 0.25 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 2wpw s LEU 182 Cb 0.05 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 2wpw s LEU 182 CO 0.06 0.31 -0.07 0.68 0.23 0.00 0.00 176.35 177.56 2wpw s VAL 183 N -1.03 1.11 0.08 -1.59 -7.23 0.10 -4.96 120.40 106.88 2wpw s VAL 183 Ca 0.18 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 2wpw s VAL 183 Cb -0.11 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2wpw s VAL 183 CO 0.08 -0.62 -0.04 0.42 -0.31 0.00 0.00 175.10 174.62 2wpw s THR 184 N -3.37 0.49 0.24 5.32 -4.23 -1.26 0.15 115.64 112.98 2wpw s THR 184 Ca 0.20 -1.89 -0.21 0.00 -1.18 0.00 0.00 61.69 58.61 2wpw s THR 184 Cb 0.04 -1.66 0.03 0.00 1.34 0.00 0.00 72.50 72.25 2wpw s THR 184 CO 0.03 -0.89 0.67 -1.66 -0.54 0.00 0.00 174.62 172.23 2wpw s TRP 185 N -3.76 -0.26 0.00 3.99 -2.14 -1.06 -4.98 118.94 110.74 2wpw s TRP 185 Ca 0.11 -0.13 0.00 0.00 2.66 0.00 0.00 56.10 58.74 2wpw s TRP 185 Cb 0.06 0.63 0.00 0.00 -3.10 0.00 0.00 33.47 31.07 2wpw s TRP 185 CO -0.06 -1.11 0.00 0.41 -2.66 0.00 0.00 176.95 173.53 2wpw n GLY 186 N -0.43 0.66 0.26 3.67 0.00 -1.26 -1.82 105.19 106.26 2wpw n GLY 186 Ca -0.08 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 0.28 -3.32 2.61 1.35 -1.95 -3.43 112.91 108.45 2wpw h THR 187 Ca 0.00 -0.71 -0.66 0.00 -0.55 0.00 0.00 66.41 64.49 2wpw h THR 187 Cb 0.00 1.56 -0.27 0.00 -1.73 0.00 0.00 68.15 67.71 2wpw h THR 187 CO 0.00 0.10 -0.75 -0.63 -0.25 0.00 0.00 175.52 173.98 2wpw s ILE 188 N -3.75 3.14 0.14 6.82 -1.09 -1.26 -4.88 121.20 120.32 2wpw s ILE 188 Ca 0.00 -0.61 -0.31 0.00 -2.23 0.00 0.00 60.65 57.50 2wpw s ILE 188 Cb 0.10 -2.36 -0.10 0.00 -1.58 0.00 0.00 42.46 38.53 2wpw s ILE 188 CO 0.58 0.50 1.60 -0.89 -1.23 0.00 0.00 174.94 175.49 2wpw s THR 189 N 0.69 2.69 0.46 2.92 2.01 -1.26 -4.96 115.64 118.19 2wpw s THR 189 Ca -0.05 0.43 -0.24 0.00 0.31 0.00 0.00 61.69 62.13 2wpw s THR 189 Cb -0.15 -3.27 -0.07 0.00 0.01 0.00 0.00 72.50 69.01 2wpw s THR 189 CO 0.02 0.02 1.32 -2.84 -0.69 0.00 0.00 174.62 172.45 2wpw s PRO 190 N 1.52 3.64 0.29 4.92 0.02 -1.26 -4.82 135.00 139.32 2wpw s PRO 190 Ca 0.71 2.15 0.05 0.00 0.02 0.00 0.00 61.00 63.93 2wpw s PRO 190 Cb -0.43 -2.53 0.76 0.00 0.02 0.00 0.00 34.50 32.31 2wpw s PRO 190 CO 0.32 -0.76 1.69 -0.44 -0.33 0.00 0.00 177.00 177.48 2wpw h ASP 191 N 2.15 0.33 0.94 2.53 3.32 -2.01 -0.03 116.42 123.64 2wpw h ASP 191 Ca -0.50 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2wpw h ASP 191 Cb 1.27 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.96 2wpw h ASP 191 CO 0.60 -0.02 0.00 1.05 -1.72 0.00 0.00 179.24 179.16 2wpw h GLU 192 N 0.39 0.00 -0.01 3.56 4.11 -2.03 -3.01 114.58 117.59 2wpw h GLU 192 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.00 2wpw h GLU 192 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2wpw h GLU 192 CO -0.54 0.00 -0.56 0.66 0.07 0.00 0.00 179.01 178.63 2wpw n TYR 193 N -2.38 0.00 0.01 2.06 0.53 -0.06 -4.52 117.16 112.80 2wpw n TYR 193 Ca 0.03 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.78 2wpw n TYR 193 Cb 0.28 0.00 -0.08 0.00 -1.03 0.00 0.00 39.34 38.52 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 3.00 0.04 0.50 -0.72 0.00 -1.33 0.58 119.26 121.33 2wpw h ALA 194 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2wpw h ALA 194 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2wpw h ALA 194 CO 0.00 -0.36 -0.24 0.28 0.00 0.00 0.00 179.25 178.93 2wpw h VAL 195 N -0.13 0.51 -0.49 0.00 2.07 -1.82 -2.69 116.25 113.70 2wpw h VAL 195 Ca 0.01 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.57 2wpw h VAL 195 Cb 0.20 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 2wpw h VAL 195 CO -0.00 0.01 0.02 -0.65 0.02 0.00 0.00 177.57 176.97 2wpw h PRO 196 N -0.70 0.13 -0.74 1.57 0.11 -1.75 -2.24 132.00 128.38 2wpw h PRO 196 Ca -0.07 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.16 2wpw h PRO 196 Cb 0.53 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 31.52 2wpw h PRO 196 CO 0.11 0.09 0.30 0.28 -0.21 0.00 0.00 178.00 178.57 2wpw h VAL 197 N 0.14 0.69 -0.03 3.15 2.07 0.13 -0.16 116.25 122.24 2wpw h VAL 197 Ca 0.25 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.50 2wpw h VAL 197 Cb 0.36 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2wpw h VAL 197 CO -0.39 0.08 -0.50 0.77 0.02 0.00 0.00 177.57 177.55 2wpw h SER 198 N 0.46 0.09 0.27 0.57 4.64 -1.07 -2.92 113.55 115.59 2wpw h SER 198 Ca 0.40 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2wpw h SER 198 Cb 0.57 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2wpw h SER 198 CO -0.38 0.58 -0.52 -0.62 -0.87 0.00 0.00 176.83 175.02 2wpw n GLU 199 N -3.95 0.38 -0.79 4.77 1.02 -0.89 -4.56 120.64 116.62 2wpw n GLU 199 Ca -0.02 -0.26 -0.21 0.00 -0.02 0.00 0.00 57.16 56.65 2wpw n GLU 199 Cb 0.52 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.41 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 5.09 0.00 -4.62 7.94 -0.12 -3.35 117.00 120.86 2wpw n LEU 200 Ca 0.08 -2.94 0.00 0.00 -1.11 0.00 0.00 56.01 52.04 2wpw n LEU 200 Cb 0.35 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.19 2wpw n LEU 200 CO 0.33 0.85 0.00 1.21 -1.11 0.00 0.00 177.39 178.67 2wpw n GLU 201 N 3.83 0.00 0.00 1.96 2.13 -1.26 -4.91 120.64 122.38 2wpw n GLU 201 Ca 0.45 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.27 2wpw n GLU 201 Cb 0.23 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.94 2wpw n GLU 201 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2wpw n LEU 202 N 0.00 0.00 -1.22 4.31 4.32 -1.21 -5.13 117.00 118.07 2wpw n LEU 202 Ca 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 56.01 56.15 2wpw n LEU 202 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 2wpw n LEU 202 CO 0.00 0.00 -0.35 -2.11 -1.22 0.00 0.00 177.39 173.71 2wpw n ARG 211 N 0.00 -2.60 0.00 3.23 1.85 -1.26 -5.03 116.66 112.85 2wpw n ARG 211 Ca 0.00 1.90 0.03 0.00 -1.00 0.00 0.00 57.85 58.78 2wpw n ARG 211 Cb 0.00 -3.12 0.17 0.00 -1.05 0.00 0.00 32.46 28.46 2wpw n ARG 211 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wpw n ALA 212 N -2.99 2.07 0.51 2.89 0.00 -1.26 -2.73 120.51 119.01 2wpw n ALA 212 Ca -0.02 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.42 2wpw n ALA 212 Cb 0.56 -1.09 0.25 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.67 1.75 0.12 0.00 0.00 -1.26 -2.62 120.51 117.84 2wpw n ALA 213 Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 2wpw n ALA 213 Cb 0.02 -1.14 0.17 0.00 0.00 0.00 0.00 19.45 18.50 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 0.00 0.08 0.00 0.00 4.20 -1.96 -2.53 115.11 114.90 2wpw h GLN 214 Ca 0.00 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 2wpw h GLN 214 Cb 0.03 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2wpw h GLN 214 CO 0.00 0.64 -0.21 0.93 -0.67 0.00 0.00 178.83 179.52 2wpw h GLU 215 N 0.06 0.00 -0.01 1.46 3.07 -1.80 0.74 114.58 118.10 2wpw h GLU 215 Ca -0.01 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 2wpw h GLU 215 Cb 1.06 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.98 2wpw h GLU 215 CO 0.08 0.21 -0.49 0.28 -1.40 0.00 0.00 179.01 177.70 2wpw h VAL 216 N 0.00 1.46 -0.61 3.13 2.07 -1.64 -1.07 116.25 119.59 2wpw h VAL 216 Ca -0.00 -2.02 -0.03 0.00 0.82 0.00 0.00 66.70 65.47 2wpw h VAL 216 Cb 0.48 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.84 2wpw h VAL 216 CO 0.03 0.58 0.28 0.03 0.02 0.00 0.00 177.57 178.50 2wpw h ARG 217 N -0.21 0.89 -0.31 1.57 3.08 -1.38 -0.68 114.38 117.33 2wpw h ARG 217 Ca -0.06 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 2wpw h ARG 217 Cb 1.21 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 2wpw h ARG 217 CO 0.10 0.73 -0.26 1.15 -1.07 0.00 0.00 179.97 180.62 2wpw h THR 218 N 0.84 1.27 0.18 2.04 2.02 -0.83 0.48 112.91 118.91 2wpw h THR 218 Ca 0.21 -1.34 -0.30 0.00 0.77 0.00 0.00 66.41 65.74 2wpw h THR 218 Cb 0.14 1.31 0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2wpw h THR 218 CO -0.02 0.44 -1.35 -1.28 0.37 0.00 0.00 175.52 173.68 2wpw h SER 219 N 0.55 0.65 0.25 4.18 0.87 -1.08 -0.85 113.55 118.11 2wpw h SER 219 Ca 0.07 -0.68 -0.01 0.00 -1.23 0.00 0.00 61.79 59.94 2wpw h SER 219 Cb 0.73 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2wpw h SER 219 CO 0.06 1.53 -0.14 0.22 -0.53 0.00 0.00 176.83 177.96 2wpw h TYR 220 N 0.12 -0.37 -0.55 2.24 3.20 -0.65 -2.28 116.97 118.68 2wpw h TYR 220 Ca -0.19 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.63 2wpw h TYR 220 Cb 2.05 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 40.43 2wpw h TYR 220 CO 0.10 -0.23 0.19 0.00 -1.64 0.00 0.00 178.16 176.57 2wpw h ALA 221 N 0.37 1.29 -0.31 1.82 0.00 -0.85 -1.98 119.26 119.60 2wpw h ALA 221 Ca -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2wpw h ALA 221 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2wpw h ALA 221 CO 0.03 0.51 0.10 -0.09 0.00 0.00 0.00 179.25 179.81 2wpw h ARG 222 N 0.80 0.43 -0.43 0.00 2.43 -0.81 0.06 114.38 116.86 2wpw h ARG 222 Ca 0.19 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 2wpw h ARG 222 Cb 0.21 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2wpw h ARG 222 CO -0.01 0.38 -0.10 1.96 -1.51 0.00 0.00 179.97 180.69 2wpw h GLN 223 N 0.43 0.77 -0.76 0.20 4.20 -0.80 -1.01 115.11 118.14 2wpw h GLN 223 Ca 0.11 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.58 2wpw h GLN 223 Cb 0.12 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2wpw h GLN 223 CO -0.01 0.84 0.50 0.74 -0.67 0.00 0.00 178.83 180.23 2wpw h PHE 224 N 0.70 0.95 -0.45 2.96 0.04 -0.75 -3.07 116.94 117.32 2wpw h PHE 224 Ca 0.12 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 2wpw h PHE 224 Cb 0.57 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 2wpw h PHE 224 CO 0.03 0.60 -0.01 0.93 -0.60 0.00 0.00 178.31 179.25 2wpw h GLU 225 N 1.02 0.80 -1.75 1.51 5.08 -0.74 -1.79 114.58 118.71 2wpw h GLU 225 Ca 0.28 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2wpw h GLU 225 Cb -0.11 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.07 2wpw h GLU 225 CO -0.06 0.86 0.00 0.25 -1.00 0.00 0.00 179.01 179.06 2wpw n THR 226 N -4.37 0.79 0.00 1.13 -2.24 -0.43 -1.85 114.28 107.31 2wpw n THR 226 Ca -0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2wpw n THR 226 Cb 0.31 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 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 1.25 0.00 0.18 -0.78 1.74 -0.67 -0.45 116.66 117.92 2wpw n ARG 228 Ca 0.00 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.10 2wpw n ARG 228 Cb 0.26 0.00 0.34 0.00 -1.02 0.00 0.00 32.46 32.04 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 1.28 -0.28 1.55 2.07 -1.59 -0.78 116.25 118.51 2wpw h VAL 229 Ca 0.00 -1.32 -0.10 0.00 0.82 0.00 0.00 66.70 66.10 2wpw h VAL 229 Cb 0.00 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2wpw h VAL 229 CO 0.00 0.38 -0.25 1.23 0.02 0.00 0.00 177.57 178.95 2wpw h GLY 230 N 1.15 0.58 -1.14 2.17 0.00 -1.03 -1.16 103.07 103.64 2wpw h GLY 230 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2wpw h GLY 230 CO 0.05 0.43 0.00 0.54 0.00 0.00 0.00 176.54 177.56 2wpw n ARG 231 N -4.12 1.74 -1.85 4.80 1.74 -0.36 -4.70 116.66 113.92 2wpw n ARG 231 Ca -0.00 -0.86 -0.07 0.00 -0.77 0.00 0.00 57.85 56.16 2wpw n ARG 231 Cb 0.41 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 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 0.64 0.33 3.82 -0.13 0.00 -0.44 -3.38 105.19 106.03 2wpw n GLY 232 Ca 0.08 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.80 4.02 0.62 1.61 0.52 -0.87 -2.44 118.95 118.61 2wpw s ARG 233 Ca 0.00 0.50 -0.03 0.00 -0.52 0.00 0.00 55.73 55.68 2wpw s ARG 233 Cb 0.00 -3.24 0.04 0.00 0.52 0.00 0.00 34.95 32.27 2wpw s ARG 233 CO 0.00 0.64 0.89 1.03 0.02 0.00 0.00 175.30 177.89 2wpw s ARG 234 N -0.97 2.43 -0.10 3.54 3.00 0.18 -4.46 118.95 122.57 2wpw s ARG 234 Ca 0.25 -0.46 -0.23 0.00 0.00 0.00 0.00 55.73 55.29 2wpw s ARG 234 Cb -0.17 -2.32 0.05 0.00 0.00 0.00 0.00 34.95 32.51 2wpw s ARG 234 CO 0.15 -0.94 0.55 0.00 0.00 0.00 0.00 175.30 175.05 2wpw s ALA 235 N -3.00 -1.41 -0.11 2.13 0.00 -1.26 -1.40 121.76 116.72 2wpw s ALA 235 Ca 0.58 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2wpw s ALA 235 Cb -0.11 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.73 2wpw s ALA 235 CO 0.42 -0.31 -0.10 0.71 0.00 0.00 0.00 175.76 176.48 2wpw s TYR 236 N -0.71 1.62 0.09 0.00 1.51 -0.03 -3.97 117.35 115.86 2wpw s TYR 236 Ca -0.08 -0.79 0.09 0.00 -1.01 0.00 0.00 57.07 55.28 2wpw s TYR 236 Cb -0.03 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.52 2wpw s TYR 236 CO 0.05 -0.49 -0.24 -1.01 -1.11 0.00 0.00 175.55 172.75 2wpw s HIS 237 N 1.43 2.11 -0.01 2.71 3.76 -0.76 -1.27 115.29 123.26 2wpw s HIS 237 Ca 0.01 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 2wpw s HIS 237 Cb -0.13 -1.20 0.01 0.00 1.11 0.00 0.00 32.58 32.37 2wpw s HIS 237 CO -0.06 0.21 -0.01 0.99 -0.85 0.00 0.00 174.74 175.02 2wpw s THR 238 N -0.96 0.13 0.19 1.30 2.01 -1.05 -2.55 115.64 114.70 2wpw s THR 238 Ca 0.11 -0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.18 2wpw s THR 238 Cb -0.10 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 2wpw s THR 238 CO 0.04 0.06 -0.18 -0.83 -0.69 0.00 0.00 174.62 173.03 2wpw s GLY 239 N 0.27 1.46 -0.16 4.40 0.00 0.12 -2.21 107.32 111.20 2wpw s GLY 239 Ca -0.02 -1.57 -0.00 0.00 0.00 0.00 0.00 44.72 43.12 2wpw s GLY 239 CO -0.01 -1.64 -0.14 0.00 0.00 0.00 0.00 173.10 171.32 2wpw s ALA 240 N -2.31 2.56 -0.10 3.20 0.00 0.05 -0.72 121.76 124.44 2wpw s ALA 240 Ca 0.19 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 2wpw s ALA 240 Cb -0.04 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 2wpw s ALA 240 CO 0.08 -0.03 -0.04 0.08 0.00 0.00 0.00 175.76 175.85 2wpw s VAL 241 N 0.81 3.93 -0.51 0.00 1.01 -0.42 0.14 120.40 125.36 2wpw s VAL 241 Ca -0.05 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 2wpw s VAL 241 Cb -0.15 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.61 2wpw s VAL 241 CO 0.00 0.57 0.85 -2.28 0.00 0.00 0.00 175.10 174.24 2wpw s HIS 242 N -0.48 2.89 0.18 5.22 2.46 0.68 -1.28 115.29 124.96 2wpw s HIS 242 Ca 0.08 -0.01 -0.15 0.00 0.47 0.00 0.00 55.06 55.44 2wpw s HIS 242 Cb -0.12 -3.87 0.15 0.00 -0.13 0.00 0.00 32.58 28.60 2wpw s HIS 242 CO 0.02 -1.18 1.67 -0.44 -2.47 0.00 0.00 174.74 172.34 2wpw h ASP 243 N 9.16 -0.30 0.31 9.88 3.45 -1.34 0.64 116.42 138.21 2wpw h ASP 243 Ca -0.26 0.12 -0.02 0.00 0.43 0.00 0.00 57.03 57.31 2wpw h ASP 243 Cb 1.08 0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 40.08 2wpw h ASP 243 CO 1.03 -0.10 -0.07 0.00 -1.57 0.00 0.00 179.24 178.52 2wpw h ALA 244 N 1.43 1.26 0.00 3.45 0.00 -1.93 -3.06 119.26 120.41 2wpw h ALA 244 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wpw h ALA 244 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wpw h ALA 244 CO -0.42 0.09 -0.18 0.25 0.00 0.00 0.00 179.25 178.99 2wpw n THR 245 N -3.55 0.00 -0.93 0.00 -2.24 -0.97 -4.99 114.28 101.59 2wpw n THR 245 Ca -0.02 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2wpw n THR 245 Cb 0.19 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 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 1.22 0.31 3.78 3.38 0.00 0.22 -5.00 105.19 109.10 2wpw n GLY 246 Ca 0.00 0.00 -0.34 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 -1.74 2.66 -0.39 4.61 0.00 -1.21 -4.71 121.76 120.98 2wpw s ALA 247 Ca 0.00 0.72 -0.21 0.00 0.00 0.00 0.00 51.96 52.47 2wpw s ALA 247 Cb 0.00 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2wpw s ALA 247 CO 0.00 -0.86 0.66 -1.17 0.00 0.00 0.00 175.76 174.40 2wpw s LEU 248 N -4.07 4.32 0.23 0.00 2.96 -1.26 -0.23 118.68 120.62 2wpw s LEU 248 Ca 0.70 -0.01 0.13 0.00 -0.22 0.00 0.00 54.13 54.74 2wpw s LEU 248 Cb -0.22 -2.80 -0.02 0.00 0.50 0.00 0.00 46.19 43.65 2wpw s LEU 248 CO 0.30 -0.69 1.36 0.00 -1.32 0.00 0.00 176.35 176.01 2wpw h ALA 249 N 8.64 0.59 -1.22 5.97 0.00 0.88 -3.44 119.26 130.68 2wpw h ALA 249 Ca -0.26 -0.60 0.27 0.00 0.00 0.00 0.00 54.91 54.33 2wpw h ALA 249 Cb 1.10 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.60 2wpw h ALA 249 CO 0.87 0.81 0.90 0.20 0.00 0.00 0.00 179.25 182.03 2wpw s GLY 250 N -4.55 -0.17 0.29 0.00 0.00 -1.16 0.04 107.32 101.79 2wpw s GLY 250 Ca 0.03 2.03 -0.09 0.00 0.00 0.00 0.00 44.72 46.68 2wpw s GLY 250 CO 0.77 0.73 0.51 -2.52 0.00 0.00 0.00 173.10 172.58 2wpw s TYR 251 N -1.89 0.58 0.21 1.90 1.13 -0.55 -0.77 117.35 117.97 2wpw s TYR 251 Ca 0.10 -0.94 -0.11 0.00 -1.41 0.00 0.00 57.07 54.71 2wpw s TYR 251 Cb -0.01 0.16 -0.01 0.00 -1.10 0.00 0.00 41.96 41.00 2wpw s TYR 251 CO -0.04 -1.10 0.39 -0.08 -2.51 0.00 0.00 175.55 172.20 2wpw s THR 252 N -3.50 0.02 0.10 -3.49 -1.32 -0.94 -1.04 115.64 105.48 2wpw s THR 252 Ca 0.25 -1.42 -0.18 0.00 -1.21 0.00 0.00 61.69 59.13 2wpw s THR 252 Cb -0.01 -2.09 0.04 0.00 -1.51 0.00 0.00 72.50 68.93 2wpw s THR 252 CO 0.13 -0.09 0.44 -0.94 -2.21 0.00 0.00 174.62 171.94 2wpw s SER 253 N -3.01 -0.30 -0.02 8.08 1.04 -1.26 -2.53 113.70 115.71 2wpw s SER 253 Ca 0.22 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.50 2wpw s SER 253 Cb 0.01 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2wpw s SER 253 CO 0.06 -0.81 -0.06 -0.69 0.98 0.00 0.00 173.24 172.72 2wpw s VAL 254 N -3.36 0.55 -0.10 5.02 1.01 -0.40 -0.33 120.40 122.79 2wpw s VAL 254 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2wpw s VAL 254 Cb 0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 2wpw s VAL 254 CO -0.09 0.18 -0.12 -0.55 0.00 0.00 0.00 175.10 174.52 2wpw s SER 255 N 0.19 4.14 -0.17 3.32 0.15 -0.31 -0.86 113.70 120.17 2wpw s SER 255 Ca -0.02 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.39 2wpw s SER 255 Cb -0.07 -1.36 0.02 0.00 -1.71 0.00 0.00 66.02 62.91 2wpw s SER 255 CO -0.00 0.24 -0.18 -0.75 1.20 0.00 0.00 173.24 173.74 2wpw s LYS 256 N -0.08 2.79 0.77 5.44 2.36 -0.49 -1.70 119.74 128.83 2wpw s LYS 256 Ca -0.02 -0.75 -0.11 0.00 -2.55 0.00 0.00 55.97 52.55 2wpw s LYS 256 Cb -0.14 -2.42 0.06 0.00 -1.05 0.00 0.00 37.83 34.28 2wpw s LYS 256 CO 0.04 -0.20 1.09 0.95 1.55 0.00 0.00 175.35 178.78 2wpw s THR 257 N 1.30 3.32 0.19 3.43 -4.23 -1.26 0.51 115.64 118.90 2wpw s THR 257 Ca 0.04 0.43 -0.12 0.00 -1.18 0.00 0.00 61.69 60.86 2wpw s THR 257 Cb -0.13 -2.91 0.11 0.00 1.34 0.00 0.00 72.50 70.90 2wpw s THR 257 CO -0.11 -0.56 1.82 0.74 -0.54 0.00 0.00 174.62 175.97 2wpw h THR 258 N -1.13 1.03 -3.51 3.99 2.02 -1.77 -3.45 112.91 110.10 2wpw h THR 258 Ca -0.44 -0.23 -0.46 0.00 0.77 0.00 0.00 66.41 66.05 2wpw h THR 258 Cb 1.23 0.29 0.11 0.00 -1.74 0.00 0.00 68.15 68.04 2wpw h THR 258 CO 0.51 0.12 0.28 -0.83 0.37 0.00 0.00 175.52 175.98 2wpw s GLY 259 N -2.87 1.73 -0.43 2.16 0.00 -1.26 -4.75 107.32 101.90 2wpw s GLY 259 Ca -0.13 -1.21 -0.23 0.00 0.00 0.00 0.00 44.72 43.15 2wpw s GLY 259 CO 0.75 -0.62 0.61 0.70 0.00 0.00 0.00 173.10 174.53 2wpw n ASN 260 N -3.23 -7.14 0.26 1.64 5.03 -1.26 -4.83 115.26 105.73 2wpw n ASN 260 Ca 0.12 0.32 0.11 0.00 0.87 0.00 0.00 54.58 56.01 2wpw n ASN 260 Cb 0.60 -4.13 0.72 0.00 -1.02 0.00 0.00 39.78 35.95 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 2.06 0.00 0.00 3.52 0.11 -1.91 -2.06 132.00 133.72 2wpw h PRO 261 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2wpw h PRO 261 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2wpw h PRO 261 CO 0.21 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.09 2wpw n ALA 262 N -2.36 2.16 -2.57 -0.75 0.00 -1.26 -3.46 120.51 112.27 2wpw n ALA 262 Ca -0.02 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.02 2wpw n ALA 262 Cb 0.19 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.95 2.78 0.13 0.00 2.02 -0.78 -0.37 117.35 118.19 2wpw s TYR 263 Ca 0.13 -0.12 -0.06 0.00 -0.37 0.00 0.00 57.07 56.66 2wpw s TYR 263 Cb 0.16 -1.53 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 2wpw s TYR 263 CO 0.45 0.37 0.17 0.00 -1.57 0.00 0.00 175.55 174.97 2wpw s ALA 264 N -1.05 0.25 -0.15 3.71 0.00 -0.45 -4.66 121.76 119.41 2wpw s ALA 264 Ca 0.18 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2wpw s ALA 264 Cb -0.11 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.77 2wpw s ALA 264 CO 0.09 -0.55 -0.20 -1.17 0.00 0.00 0.00 175.76 173.93 2wpw s LEU 265 N -2.97 2.02 -0.38 0.00 2.96 -0.69 -1.75 118.68 117.87 2wpw s LEU 265 Ca 0.16 -0.58 -0.18 0.00 -0.22 0.00 0.00 54.13 53.30 2wpw s LEU 265 Cb 0.05 -1.38 0.01 0.00 0.50 0.00 0.00 46.19 45.37 2wpw s LEU 265 CO -0.02 0.03 0.53 -1.58 -1.32 0.00 0.00 176.35 173.98 2wpw s GLN 266 N 1.06 3.44 0.00 1.98 2.00 0.02 -1.16 119.66 126.99 2wpw s GLN 266 Ca -0.02 -0.33 0.00 0.00 -2.00 0.00 0.00 55.36 53.01 2wpw s GLN 266 Cb -0.14 -3.87 0.00 0.00 0.80 0.00 0.00 33.01 29.80 2wpw s GLN 266 CO -0.06 -0.76 0.00 0.41 -0.50 0.00 0.00 175.29 174.37 2wpw n GLY 267 N 4.91 1.72 3.32 2.59 0.00 0.55 -4.62 105.19 113.67 2wpw n GLY 267 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.21 -0.02 2.61 2.01 -1.26 -4.67 115.64 114.10 2wpw s THR 269 Ca 0.00 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.17 2wpw s THR 269 Cb 0.00 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 2wpw s THR 269 CO 0.00 0.04 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.05 2wpw s VAL 270 N 1.79 2.30 -0.08 3.82 1.01 -0.21 -5.01 120.40 124.01 2wpw s VAL 270 Ca -0.07 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.87 2wpw s VAL 270 Cb -0.09 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.48 2wpw s VAL 270 CO -0.14 0.56 -0.09 -0.69 0.00 0.00 0.00 175.10 174.75 2wpw s VAL 271 N -0.66 1.00 0.55 2.92 1.01 -1.26 -1.48 120.40 122.49 2wpw s VAL 271 Ca 0.11 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 2wpw s VAL 271 Cb -0.10 -0.98 -0.07 0.00 0.00 0.00 0.00 36.38 35.23 2wpw s VAL 271 CO -0.00 0.34 0.90 1.57 0.00 0.00 0.00 175.10 177.91 2wpw n HIS 272 N 4.39 0.66 -0.21 5.22 -0.00 0.11 -4.88 115.22 120.50 2wpw n HIS 272 Ca -0.18 0.47 0.12 0.00 0.46 0.00 0.00 57.72 58.58 2wpw n HIS 272 Cb 0.51 -2.13 0.41 0.00 -0.12 0.00 0.00 29.99 28.66 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 0.72 0.60 -0.34 1.57 3.08 -1.98 -1.98 114.38 116.05 2wpw h ARG 273 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2wpw h ARG 273 Cb 1.36 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2wpw h ARG 273 CO 0.52 0.39 0.00 0.39 -1.07 0.00 0.00 179.97 180.20 2wpw n GLU 274 N -4.52 1.91 -0.54 0.04 1.02 -1.26 -4.05 120.64 113.24 2wpw n GLU 274 Ca 0.15 -1.39 0.06 0.00 -0.02 0.00 0.00 57.16 55.95 2wpw n GLU 274 Cb 0.43 -1.35 0.11 0.00 -0.02 0.00 0.00 31.44 30.61 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 0.62 0.00 -2.11 -0.32 8.25 -0.74 -5.06 115.22 115.85 2wpw n HIS 275 Ca 0.15 -0.82 -0.33 0.00 -0.26 0.00 0.00 57.72 56.46 2wpw n HIS 275 Cb 0.35 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.84 3.45 0.00 -0.41 3.00 -1.23 -4.44 118.95 117.48 2wpw s ARG 276 Ca 0.27 1.14 0.00 0.00 0.00 0.00 0.00 55.73 57.14 2wpw s ARG 276 Cb 0.26 -2.05 0.00 0.00 0.00 0.00 0.00 34.95 33.15 2wpw s ARG 276 CO -0.04 -0.69 0.00 0.41 0.00 0.00 0.00 175.30 174.98 2wpw n GLY 277 N -1.14 0.88 0.00 -3.53 0.00 -1.26 -4.93 105.19 95.21 2wpw n GLY 277 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.17 0.00 -1.25 1.61 8.25 -1.26 -4.98 115.22 115.42 2wpw n HIS 278 Ca 0.00 -0.41 -0.08 0.00 -0.26 0.00 0.00 57.72 56.96 2wpw n HIS 278 Cb 0.00 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 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 -0.41 -0.13 -0.28 -1.41 0.00 -1.26 -4.75 120.51 112.26 2wpw n ALA 279 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.64 2wpw n ALA 279 Cb 0.23 -1.15 0.29 0.00 0.00 0.00 0.00 19.45 18.83 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 0.81 0.16 0.00 4.07 -1.94 -0.03 115.31 118.39 2wpw h LEU 280 Ca -0.17 0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.82 2wpw h LEU 280 Cb 0.59 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 42.14 2wpw h LEU 280 CO 0.25 0.48 -0.36 1.23 -1.08 0.00 0.00 178.44 178.97 2wpw h GLY 281 N 0.90 -0.74 1.12 0.83 0.00 -1.95 0.06 103.07 103.29 2wpw h GLY 281 Ca 0.41 0.43 -0.09 0.00 0.00 0.00 0.00 47.33 48.08 2wpw h GLY 281 CO -0.17 -0.27 0.05 -0.84 0.00 0.00 0.00 176.54 175.31 2wpw h THR 282 N -0.62 1.26 -0.72 4.70 2.02 -1.93 -2.77 112.91 114.85 2wpw h THR 282 Ca 0.02 -1.09 0.10 0.00 0.77 0.00 0.00 66.41 66.21 2wpw h THR 282 Cb 0.63 0.72 -0.08 0.00 -1.74 0.00 0.00 68.15 67.69 2wpw h THR 282 CO -0.19 0.40 0.34 0.25 0.37 0.00 0.00 175.52 176.70 2wpw h LEU 283 N 0.99 0.42 -0.01 2.58 5.85 -0.66 -1.80 115.31 122.68 2wpw h LEU 283 Ca 0.19 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 2wpw h LEU 283 Cb 0.50 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2wpw h LEU 283 CO 0.02 0.22 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.26 2wpw h LEU 284 N 0.56 0.02 -0.56 2.25 -0.00 -0.80 -1.48 115.31 115.30 2wpw h LEU 284 Ca 0.36 -0.59 0.10 0.00 -0.00 0.00 0.00 57.88 57.75 2wpw h LEU 284 Cb 0.43 -0.01 -0.08 0.00 -0.00 0.00 0.00 40.66 41.00 2wpw h LEU 284 CO -0.30 0.61 0.12 0.11 -0.00 0.00 0.00 178.44 178.99 2wpw h LYS 285 N -0.57 0.26 -0.07 1.13 1.57 -1.42 0.39 116.57 117.86 2wpw h LYS 285 Ca -0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2wpw h LYS 285 Cb 0.61 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2wpw h LYS 285 CO 0.00 0.17 -0.04 -0.07 -0.57 0.00 0.00 179.45 178.94 2wpw h LEU 286 N 0.26 0.16 -0.91 2.94 3.38 -1.33 0.35 115.31 120.16 2wpw h LEU 286 Ca 0.29 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2wpw h LEU 286 Cb 0.40 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2wpw h LEU 286 CO -0.36 0.55 -0.17 0.00 0.09 0.00 0.00 178.44 178.55 2wpw h ALA 287 N 0.62 1.08 -0.21 1.53 0.00 -1.09 -0.71 119.26 120.47 2wpw h ALA 287 Ca 0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 2wpw h ALA 287 Cb 0.49 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wpw h ALA 287 CO 0.01 0.56 -0.56 -0.97 0.00 0.00 0.00 179.25 178.30 2wpw h ASN 288 N 0.55 0.73 -0.34 0.00 -0.00 -0.14 -2.24 115.58 114.14 2wpw h ASN 288 Ca 0.09 -0.40 0.02 0.00 -0.00 0.00 0.00 56.30 56.01 2wpw h ASN 288 Cb 0.61 -0.21 -0.03 0.00 -0.00 0.00 0.00 38.32 38.69 2wpw h ASN 288 CO 0.04 1.14 0.18 0.25 -0.00 0.00 0.00 177.43 179.04 2wpw h LEU 289 N 0.50 0.27 -0.97 0.34 5.85 0.20 0.19 115.31 121.69 2wpw h LEU 289 Ca 0.01 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.85 2wpw h LEU 289 Cb 1.13 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.03 2wpw h LEU 289 CO 0.11 0.20 0.61 -0.08 -0.34 0.00 0.00 178.44 178.94 2wpw h GLU 290 N 0.37 0.95 0.11 1.25 4.81 -1.10 0.12 114.58 121.10 2wpw h GLU 290 Ca 0.14 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2wpw h GLU 290 Cb 0.04 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.20 2wpw h GLU 290 CO -0.09 0.63 -0.05 -0.92 -0.73 0.00 0.00 179.01 177.85 2wpw h TYR 291 N 0.98 -0.14 -0.26 0.92 3.20 -0.68 -1.80 116.97 119.18 2wpw h TYR 291 Ca 0.47 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.40 2wpw h TYR 291 Cb 0.43 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.67 2wpw h TYR 291 CO -0.01 -0.06 -0.42 0.28 -1.64 0.00 0.00 178.16 176.31 2wpw h VAL 292 N -0.18 0.14 -0.83 1.81 2.07 0.77 -2.66 116.25 117.36 2wpw h VAL 292 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2wpw h VAL 292 Cb 0.14 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 2wpw h VAL 292 CO 0.03 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 178.10 2wpw h LEU 293 N -0.41 0.94 -1.69 2.57 4.07 -0.63 0.32 115.31 120.48 2wpw h LEU 293 Ca 0.11 -0.02 0.15 0.00 0.08 0.00 0.00 57.88 58.19 2wpw h LEU 293 Cb 0.60 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 2wpw h LEU 293 CO -0.48 0.67 0.47 -0.09 -1.08 0.00 0.00 178.44 177.93 2wpw h ARG 294 N 1.10 0.30 -0.00 1.13 2.43 -0.97 -2.38 114.38 115.98 2wpw h ARG 294 Ca 0.31 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2wpw h ARG 294 Cb -0.09 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2wpw h ARG 294 CO -0.07 0.20 -0.35 0.72 -1.51 0.00 0.00 179.97 178.95 2wpw n HIS 295 N -4.45 0.00 -3.16 2.20 8.25 -0.30 -4.67 115.22 113.10 2wpw n HIS 295 Ca 0.13 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.38 2wpw n HIS 295 Cb 0.55 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.64 0.78 0.29 -0.41 4.07 0.99 -4.98 120.64 120.74 2wpw n GLU 296 Ca 0.04 -3.15 0.16 0.00 -0.06 0.00 0.00 57.16 54.15 2wpw n GLU 296 Cb 0.21 -1.34 0.87 0.00 -0.06 0.00 0.00 31.44 31.13 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 3.74 0.00 0.00 5.31 0.13 -1.70 -2.20 132.00 137.28 2wpw h PRO 297 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2wpw h PRO 297 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2wpw h PRO 297 CO 0.46 0.05 0.00 0.39 -0.23 0.00 0.00 178.00 178.67 2wpw n GLU 298 N -3.55 0.11 -1.85 0.86 1.02 -1.26 -4.89 120.64 111.09 2wpw n GLU 298 Ca -0.02 0.14 -0.42 0.00 -0.02 0.00 0.00 57.16 56.84 2wpw n GLU 298 Cb 0.17 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 2wpw n GLU 298 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wpw s VAL 299 N -3.07 2.36 0.00 2.62 1.01 -0.83 -4.29 120.40 118.20 2wpw s VAL 299 Ca 0.11 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2wpw s VAL 299 Cb 0.15 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2wpw s VAL 299 CO 0.51 0.02 0.00 0.54 0.00 0.00 0.00 175.10 176.18 2wpw n ARG 300 N 3.75 2.14 -4.07 2.72 1.74 0.50 -4.94 116.66 118.50 2wpw n ARG 300 Ca 0.14 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.90 2wpw n ARG 300 Cb 0.37 -0.77 -0.16 0.00 -1.02 0.00 0.00 32.46 30.88 2wpw n ARG 300 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wpw s LEU 301 N -2.68 2.57 -0.16 0.55 1.43 -0.52 -0.23 118.68 119.64 2wpw s LEU 301 Ca 0.00 -0.94 -0.00 0.00 -1.03 0.00 0.00 54.13 52.16 2wpw s LEU 301 Cb 0.00 -1.43 -0.00 0.00 0.03 0.00 0.00 46.19 44.79 2wpw s LEU 301 CO 0.00 -0.10 -0.14 -0.69 0.23 0.00 0.00 176.35 175.65 2wpw s VAL 302 N 1.26 2.74 0.18 -1.59 1.01 -0.45 -1.34 120.40 122.21 2wpw s VAL 302 Ca -0.01 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.27 2wpw s VAL 302 Cb -0.16 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2wpw s VAL 302 CO -0.09 0.51 0.24 -1.83 0.00 0.00 0.00 175.10 173.93 2wpw s GLU 303 N 0.88 3.22 0.25 2.72 -1.05 -0.72 -0.63 118.70 123.37 2wpw s GLU 303 Ca -0.04 -0.77 -0.15 0.00 -0.15 0.00 0.00 54.97 53.86 2wpw s GLU 303 Cb -0.15 -2.81 0.00 0.00 -0.44 0.00 0.00 34.13 30.74 2wpw s GLU 303 CO -0.01 0.48 0.55 -0.08 0.95 0.00 0.00 175.26 177.15 2wpw s THR 304 N -1.84 0.00 -0.05 1.83 -1.32 -0.65 -0.80 115.64 112.81 2wpw s THR 304 Ca 0.33 -1.26 -0.04 0.00 -1.21 0.00 0.00 61.69 59.50 2wpw s THR 304 Cb -0.10 -2.12 0.01 0.00 -1.51 0.00 0.00 72.50 68.79 2wpw s THR 304 CO 0.27 -0.01 0.13 0.00 -2.21 0.00 0.00 174.62 172.80 2wpw s ALA 305 N -3.98 -0.31 0.05 11.08 0.00 -1.26 -0.14 121.76 127.19 2wpw s ALA 305 Ca 0.18 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.53 2wpw s ALA 305 Cb -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2wpw s ALA 305 CO 0.08 -0.06 -0.06 -0.80 0.00 0.00 0.00 175.76 174.92 2wpw s ASN 306 N 0.10 0.72 0.14 0.00 0.01 -0.85 -4.93 114.94 110.12 2wpw s ASN 306 Ca -0.00 -0.63 -0.34 0.00 -0.71 0.00 0.00 52.86 51.18 2wpw s ASN 306 Cb -0.01 0.07 -0.13 0.00 0.41 0.00 0.00 41.25 41.59 2wpw s ASN 306 CO 0.00 -0.29 1.63 0.00 -1.51 0.00 0.00 177.10 176.92 2wpw n ALA 307 N 1.19 1.42 0.22 0.60 0.00 -1.26 -0.40 120.51 122.28 2wpw n ALA 307 Ca -0.21 0.42 0.02 0.00 0.00 0.00 0.00 53.44 53.67 2wpw n ALA 307 Cb 0.56 -2.38 0.11 0.00 0.00 0.00 0.00 19.45 17.74 2wpw n ALA 307 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wpw n GLU 308 N 3.86 0.10 -0.02 0.00 0.28 0.22 -3.02 120.64 122.06 2wpw n GLU 308 Ca 0.18 0.11 0.02 0.00 -0.16 0.00 0.00 57.16 57.30 2wpw n GLU 308 Cb 0.29 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.69 2wpw n GLU 308 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2wpw n ASP 309 N -1.13 2.09 -3.99 -1.84 3.85 -1.26 -4.57 116.55 109.70 2wpw n ASP 309 Ca 0.03 -2.15 -0.32 0.00 -0.71 0.00 0.00 54.79 51.64 2wpw n ASP 309 Cb 0.02 -0.07 -0.12 0.00 -1.35 0.00 0.00 41.12 39.60 2wpw n ASP 309 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2wpw s ASN 310 N -1.25 4.71 0.64 -1.12 2.20 -1.17 -4.95 114.94 114.00 2wpw s ASN 310 Ca 0.05 -3.13 0.32 0.00 -0.94 0.00 0.00 52.86 49.15 2wpw s ASN 310 Cb 0.04 -1.71 1.72 0.00 -2.00 0.00 0.00 41.25 39.30 2wpw s ASN 310 CO 0.01 -0.24 1.96 0.45 -2.94 0.00 0.00 177.10 176.34 2wpw h HIS 311 N 6.45 0.00 0.00 1.54 3.86 -1.85 -3.22 115.15 121.93 2wpw h HIS 311 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2wpw h HIS 311 Cb 0.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.35 2wpw h HIS 311 CO 0.60 0.00 0.00 -2.30 0.86 0.00 0.00 177.93 177.09 2wpw n PRO 312 N -2.86 0.23 0.00 2.45 -0.02 -1.26 -0.77 135.00 132.77 2wpw n PRO 312 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2wpw n PRO 312 Cb 0.31 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 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 -0.47 0.00 -0.27 4.25 5.41 -1.22 -0.00 119.36 127.06 2wpw n ILE 314 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 2wpw n ILE 314 Cb 0.00 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 39.00 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 0.95 -0.22 -1.39 0.00 -1.24 0.27 119.26 117.63 2wpw h ALA 315 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wpw h ALA 315 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2wpw h ALA 315 CO 0.00 0.36 0.14 0.28 0.00 0.00 0.00 179.25 180.03 2wpw h VAL 316 N 1.01 1.06 -0.53 0.00 2.07 -0.69 0.17 116.25 119.34 2wpw h VAL 316 Ca 0.28 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.73 2wpw h VAL 316 Cb -0.11 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2wpw h VAL 316 CO -0.06 0.06 0.35 0.78 0.02 0.00 0.00 177.57 178.72 2wpw h ASN 317 N 0.29 0.39 0.59 0.57 -0.26 -1.26 -1.14 115.58 114.78 2wpw h ASN 317 Ca 0.08 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.70 2wpw h ASN 317 Cb -0.02 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 2wpw h ASN 317 CO -0.02 0.25 -0.58 0.00 -1.06 0.00 0.00 177.43 176.03 2wpw h ALA 318 N 1.72 1.03 0.00 -0.83 0.00 0.99 -1.33 119.26 120.84 2wpw h ALA 318 Ca 0.23 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wpw h ALA 318 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wpw h ALA 318 CO -0.06 0.73 0.00 0.00 0.00 0.00 0.00 179.25 179.92 2wpw h ALA 319 N 1.42 1.00 -0.43 0.00 0.00 0.57 -1.19 119.26 120.62 2wpw h ALA 319 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wpw h ALA 319 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2wpw h ALA 319 CO 0.08 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.61 2wpw n LEU 320 N -3.04 3.38 0.00 0.00 4.32 -0.53 -4.96 117.00 116.17 2wpw n LEU 320 Ca 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 56.01 54.49 2wpw n LEU 320 Cb 0.28 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2wpw n LEU 320 CO 0.26 0.75 0.00 0.61 -1.22 0.00 0.00 177.39 177.79 2wpw n GLY 321 N 1.50 0.46 3.68 -0.72 0.00 -0.45 -4.54 105.19 105.12 2wpw n GLY 321 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.05 1.83 -0.15 1.61 0.40 -1.04 -4.57 117.98 114.00 2wpw s PHE 322 Ca 0.00 -0.15 -0.05 0.00 -0.60 0.00 0.00 56.93 56.13 2wpw s PHE 322 Cb 0.00 -4.17 -0.04 0.00 0.51 0.00 0.00 43.02 39.32 2wpw s PHE 322 CO 0.00 -4.99 0.04 -1.21 0.70 0.00 0.00 175.22 169.76 2wpw s GLU 323 N 3.47 3.64 0.31 0.44 2.02 0.46 -4.25 118.70 124.79 2wpw s GLU 323 Ca 0.83 -0.36 -0.29 0.00 0.02 0.00 0.00 54.97 55.17 2wpw s GLU 323 Cb -0.43 -3.07 -0.10 0.00 0.10 0.00 0.00 34.13 30.63 2wpw s GLU 323 CO 0.38 0.43 1.24 -2.14 0.02 0.00 0.00 175.26 175.18 2wpw s PRO 324 N -0.10 4.45 0.02 0.39 0.02 -1.26 -1.31 135.00 137.22 2wpw s PRO 324 Ca 0.06 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.15 2wpw s PRO 324 Cb -0.12 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2wpw s PRO 324 CO 0.01 -0.05 0.00 0.98 -0.33 0.00 0.00 177.00 177.61 2wpw n TYR 325 N 0.98 -0.10 -4.20 6.54 9.36 0.53 -4.57 117.16 125.69 2wpw n TYR 325 Ca -0.00 0.02 -0.14 0.00 3.32 0.00 0.00 57.90 61.10 2wpw n TYR 325 Cb 0.43 0.19 -0.09 0.00 -0.63 0.00 0.00 39.34 39.24 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 -5.07 0.50 -0.09 2.98 1.47 -1.19 -4.14 116.67 111.13 2wpw s ASP 326 Ca 0.00 -1.45 0.04 0.00 1.18 0.00 0.00 52.55 52.32 2wpw s ASP 326 Cb 0.00 0.44 -0.00 0.00 -0.34 0.00 0.00 42.92 43.01 2wpw s ASP 326 CO 0.00 -0.92 -0.24 -0.60 0.68 0.00 0.00 175.17 174.09 2wpw s ARG 327 N -3.96 2.92 -0.68 2.11 3.52 0.74 -1.29 118.95 122.31 2wpw s ARG 327 Ca 0.38 -0.88 -0.16 0.00 -0.13 0.00 0.00 55.73 54.95 2wpw s ARG 327 Cb 0.05 -2.27 0.16 0.00 -1.56 0.00 0.00 34.95 31.33 2wpw s ARG 327 CO 0.16 0.24 0.67 -1.58 -0.81 0.00 0.00 175.30 173.97 2wpw s TRP 328 N 0.20 3.41 -0.06 5.12 0.52 0.14 -1.25 118.94 127.02 2wpw s TRP 328 Ca -0.14 -1.53 -0.19 0.00 0.02 0.00 0.00 56.10 54.26 2wpw s TRP 328 Cb -0.17 -3.86 -0.05 0.00 -1.15 0.00 0.00 33.47 28.24 2wpw s TRP 328 CO 0.07 -1.07 0.51 0.08 0.02 0.00 0.00 176.95 176.57 2wpw s VAL 329 N 1.23 5.07 -0.28 4.03 1.01 0.64 -1.65 120.40 130.45 2wpw s VAL 329 Ca 0.12 1.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.97 2wpw s VAL 329 Cb -0.20 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2wpw s VAL 329 CO -0.02 0.39 0.48 -0.36 0.00 0.00 0.00 175.10 175.60 2wpw s PHE 330 N 0.10 3.25 0.44 5.22 0.08 -1.26 0.39 117.98 126.19 2wpw s PHE 330 Ca 0.28 0.51 0.07 0.00 0.12 0.00 0.00 56.93 57.90 2wpw s PHE 330 Cb -0.16 -2.72 -0.03 0.00 -0.57 0.00 0.00 43.02 39.54 2wpw s PHE 330 CO 0.13 -0.31 0.25 -1.58 -0.10 0.00 0.00 175.22 173.61 2wpw s TRP 331 N 2.27 2.43 -0.06 0.36 0.52 0.45 -0.46 118.94 124.45 2wpw s TRP 331 Ca 0.19 -0.63 -0.17 0.00 0.02 0.00 0.00 56.10 55.52 2wpw s TRP 331 Cb -0.16 -1.99 0.03 0.00 -1.15 0.00 0.00 33.47 30.21 2wpw s TRP 331 CO 0.10 0.01 0.38 -0.08 0.02 0.00 0.00 176.95 177.38 2wpw s THR 332 N -2.61 0.03 0.01 2.01 -1.32 -0.25 -2.06 115.64 111.45 2wpw s THR 332 Ca 0.40 -0.29 -0.17 0.00 -1.21 0.00 0.00 61.69 60.42 2wpw s THR 332 Cb 0.01 -0.65 0.03 0.00 -1.51 0.00 0.00 72.50 70.39 2wpw s THR 332 CO 0.23 -0.16 0.38 0.00 -2.21 0.00 0.00 174.62 172.86 2wpw s ALA 333 N -0.88 -0.93 0.27 11.08 0.00 0.41 -1.30 121.76 130.39 2wpw s ALA 333 Ca -0.10 0.36 -0.22 0.00 0.00 0.00 0.00 51.96 52.01 2wpw s ALA 333 Cb -0.04 0.19 -0.09 0.00 0.00 0.00 0.00 23.12 23.19 2wpw s ALA 333 CO 0.04 -0.36 0.82 -1.21 0.00 0.00 0.00 175.76 175.05 2wpw s GLU 334 N -1.89 4.37 0.29 0.00 2.02 -1.26 -0.36 118.70 121.87 2wpw s GLU 334 Ca -0.09 1.05 0.04 0.00 0.02 0.00 0.00 54.97 55.99 2wpw s GLU 334 Cb -0.03 -2.82 0.44 0.00 0.10 0.00 0.00 34.13 31.83 2wpw s GLU 334 CO 0.01 0.33 1.72 0.00 0.02 0.00 0.00 175.26 177.35 2wpw h ALA 335 N 3.25 1.12 0.00 5.21 0.00 -0.88 -3.44 119.26 124.52 2wpw h ALA 335 Ca -0.47 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2wpw h ALA 335 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2wpw h ALA 335 CO 0.65 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.87 2wpw n GLY 336 N -0.32 0.92 3.86 0.00 0.00 -1.26 -4.81 105.19 103.57 2wpw n GLY 336 Ca -0.01 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 2wpw n GLY 336 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wpw s PRO 337 N -1.67 3.87 0.13 1.61 0.04 -1.26 -4.96 135.00 132.76 2wpw s PRO 337 Ca 0.00 0.78 0.21 0.00 0.04 0.00 0.00 61.00 62.03 2wpw s PRO 337 Cb 0.00 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 2wpw s PRO 337 CO 0.00 -0.21 0.88 0.43 0.04 0.00 0.00 177.00 178.14 2wpw n SER 338 N -1.57 0.67 -0.31 6.66 7.64 -1.26 -5.13 113.62 120.32 2wpw n SER 338 Ca 0.05 0.27 0.04 0.00 1.01 0.00 0.00 58.87 60.23 2wpw n SER 338 Cb 0.54 0.72 0.03 0.00 -1.01 0.00 0.00 64.21 64.49 2wpw n SER 338 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50