#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cwd s VAL 5 N 0.00 4.16 -0.22 0.52 1.01 -0.59 -4.81 120.40 120.47 2cwd s VAL 5 Ca 0.00 1.50 -0.10 0.00 0.00 0.00 0.00 61.98 63.38 2cwd s VAL 5 Cb 0.00 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2cwd s VAL 5 CO 0.00 0.00 0.13 -0.13 0.00 0.00 0.00 175.10 175.11 2cwd s ARG 6 N 2.18 4.07 -0.10 2.72 0.52 -1.26 -1.63 118.95 125.45 2cwd s ARG 6 Ca 0.57 -0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.54 2cwd s ARG 6 Cb -0.26 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 31.76 2cwd s ARG 6 CO 0.23 0.15 -0.20 0.08 0.02 0.00 0.00 175.30 175.58 2cwd s VAL 7 N 0.77 2.45 -0.15 3.52 1.01 0.08 -1.08 120.40 127.00 2cwd s VAL 7 Ca 0.07 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2cwd s VAL 7 Cb -0.13 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.31 2cwd s VAL 7 CO 0.02 0.55 -0.15 -0.22 0.00 0.00 0.00 175.10 175.30 2cwd s LEU 8 N 0.19 1.73 -0.06 3.92 2.96 0.49 -2.09 118.68 125.83 2cwd s LEU 8 Ca -0.12 -0.50 -0.15 0.00 -0.22 0.00 0.00 54.13 53.14 2cwd s LEU 8 Cb -0.16 -1.20 -0.05 0.00 0.50 0.00 0.00 46.19 45.27 2cwd s LEU 8 CO 0.07 -0.04 0.40 -0.36 -1.32 0.00 0.00 176.35 175.09 2cwd s PHE 9 N 1.42 3.63 -0.01 5.38 0.08 -0.58 -0.40 117.98 127.50 2cwd s PHE 9 Ca 0.04 0.90 0.02 0.00 0.12 0.00 0.00 56.93 58.00 2cwd s PHE 9 Cb -0.13 -2.35 0.00 0.00 -0.57 0.00 0.00 43.02 39.97 2cwd s PHE 9 CO -0.10 0.47 -0.06 0.08 -0.10 0.00 0.00 175.22 175.51 2cwd s VAL 10 N -0.42 0.49 0.00 -0.44 1.01 0.30 -1.45 120.40 119.89 2cwd s VAL 10 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2cwd s VAL 10 Cb -0.16 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2cwd s VAL 10 CO 0.11 0.16 0.00 0.00 0.00 0.00 0.00 175.10 175.37 2cwd h LEU 12 N 0.00 -0.03 0.00 0.00 5.85 -1.94 -1.76 115.31 117.43 2cwd h LEU 12 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2cwd h LEU 12 Cb 0.00 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2cwd h LEU 12 CO 0.00 0.35 -0.78 0.61 -0.34 0.00 0.00 178.44 178.28 2cwd n GLY 13 N 1.73 -1.33 2.43 3.75 0.00 -1.26 -1.61 105.19 108.89 2cwd n GLY 13 Ca -0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 2cwd n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2cwd n ASN 14 N -2.05 -4.73 0.00 1.61 4.05 -1.26 -4.49 115.26 108.39 2cwd n ASN 14 Ca 0.03 -0.08 0.00 0.00 0.45 0.00 0.00 54.58 54.97 2cwd n ASN 14 Cb 0.44 -3.77 0.00 0.00 1.23 0.00 0.00 39.78 37.68 2cwd n ASN 14 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2cwd n ILE 15 N -4.07 0.00 0.00 -1.44 -5.35 -1.26 -4.46 119.36 102.78 2cwd n ILE 15 Ca -0.15 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 2cwd n ILE 15 Cb 0.62 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 2cwd n ILE 15 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2cwd h ARG 17 N 0.00 -0.66 -0.69 0.00 3.08 -1.96 -2.73 114.38 111.42 2cwd h ARG 17 Ca 0.00 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2cwd h ARG 17 Cb 0.00 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2cwd h ARG 17 CO 0.00 -0.44 0.35 0.66 -1.07 0.00 0.00 179.97 179.47 2cwd h SER 18 N -0.69 0.88 0.38 7.04 4.64 -1.90 -1.12 113.55 122.78 2cwd h SER 18 Ca -0.07 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.05 2cwd h SER 18 Cb 0.53 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2cwd h SER 18 CO 0.12 0.75 -0.39 1.55 -0.87 0.00 0.00 176.83 177.99 2cwd h PRO 19 N 0.95 0.01 -0.41 4.77 0.13 -1.82 -1.21 132.00 134.42 2cwd h PRO 19 Ca 0.24 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.24 2cwd h PRO 19 Cb 0.09 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 2cwd h PRO 19 CO -0.03 0.40 -0.24 0.52 -0.23 0.00 0.00 178.00 178.42 2cwd h MET 20 N 0.01 0.85 -0.36 0.86 2.86 -1.13 -1.24 114.93 116.78 2cwd h MET 20 Ca -0.00 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.25 2cwd h MET 20 Cb 0.69 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 2cwd h MET 20 CO 0.05 1.00 0.12 0.00 1.06 0.00 0.00 176.91 179.13 2cwd h ALA 21 N 0.99 0.48 -0.56 6.32 0.00 -0.61 -1.88 119.26 123.99 2cwd h ALA 21 Ca 0.09 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2cwd h ALA 21 Cb 0.78 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2cwd h ALA 21 CO 0.06 0.11 0.37 1.49 0.00 0.00 0.00 179.25 181.29 2cwd h GLU 22 N 0.44 0.73 -0.25 0.00 4.81 -1.04 -0.42 114.58 118.85 2cwd h GLU 22 Ca 0.12 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2cwd h GLU 22 Cb 0.25 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 2cwd h GLU 22 CO -0.00 0.48 0.02 0.78 -0.73 0.00 0.00 179.01 179.56 2cwd h GLY 23 N 0.75 0.25 1.00 1.92 0.00 -0.97 0.81 103.07 106.83 2cwd h GLY 23 Ca 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 2cwd h GLY 23 CO -0.05 -0.03 0.35 -2.22 0.00 0.00 0.00 176.54 174.58 2cwd h ILE 24 N 0.10 1.19 -0.17 2.60 2.04 -1.10 -2.10 117.51 120.07 2cwd h ILE 24 Ca 0.12 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2cwd h ILE 24 Cb 0.14 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2cwd h ILE 24 CO -0.18 0.21 0.11 0.15 0.00 0.00 0.00 178.15 178.44 2cwd h PHE 25 N 0.83 0.22 -0.67 1.37 3.57 -0.51 -0.36 116.94 121.39 2cwd h PHE 25 Ca 0.22 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.76 2cwd h PHE 25 Cb 0.02 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 2cwd h PHE 25 CO -0.01 0.14 0.41 0.00 -2.23 0.00 0.00 178.31 176.62 2cwd h ARG 26 N 0.23 0.77 -0.29 1.11 3.08 -0.67 0.18 114.38 118.79 2cwd h ARG 26 Ca 0.06 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2cwd h ARG 26 Cb -0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2cwd h ARG 26 CO -0.01 0.51 0.16 -0.22 -1.07 0.00 0.00 179.97 179.33 2cwd h LYS 27 N 0.79 0.40 -0.71 0.04 3.64 -1.12 -2.51 116.57 117.10 2cwd h LYS 27 Ca 0.28 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 2cwd h LYS 27 Cb 0.06 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 2cwd h LYS 27 CO -0.13 0.33 0.25 -0.07 -2.27 0.00 0.00 179.45 177.57 2cwd h LEU 28 N 0.35 1.01 -0.81 5.20 3.38 -0.47 -1.68 115.31 122.29 2cwd h LEU 28 Ca 0.10 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2cwd h LEU 28 Cb 0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2cwd h LEU 28 CO -0.02 0.93 0.53 -0.07 0.09 0.00 0.00 178.44 179.90 2cwd h LEU 29 N 1.03 0.94 0.32 1.67 3.38 -0.85 0.37 115.31 122.17 2cwd h LEU 29 Ca 0.23 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2cwd h LEU 29 Cb 0.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2cwd h LEU 29 CO -0.01 0.69 -0.15 0.11 0.09 0.00 0.00 178.44 179.16 2cwd h LYS 30 N 1.10 -0.42 -0.64 1.13 1.57 -1.11 0.75 116.57 118.96 2cwd h LYS 30 Ca 0.30 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 2cwd h LYS 30 Cb -0.11 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2cwd h LYS 30 CO -0.06 -0.19 0.32 0.93 -0.57 0.00 0.00 179.45 179.88 2cwd h GLU 31 N -0.58 0.90 -0.00 3.15 5.08 -1.12 -2.54 114.58 119.47 2cwd h GLU 31 Ca -0.04 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2cwd h GLU 31 Cb 0.42 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2cwd h GLU 31 CO 0.07 0.69 -0.10 0.54 -1.00 0.00 0.00 179.01 179.21 2cwd n ARG 32 N -4.35 0.83 -3.06 2.33 1.74 0.10 -4.94 116.66 109.31 2cwd n ARG 32 Ca 0.06 -0.32 -0.13 0.00 -0.77 0.00 0.00 57.85 56.69 2cwd n ARG 32 Cb 0.12 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.13 2cwd n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cwd n GLY 33 N 1.25 -0.13 0.05 -0.13 0.00 -0.57 -4.95 105.19 100.71 2cwd n GLY 33 Ca 0.15 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.14 2cwd n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cwd n LEU 34 N -3.31 1.67 0.19 0.99 4.77 0.15 -4.79 117.00 116.68 2cwd n LEU 34 Ca -0.18 -1.94 0.17 0.00 -0.03 0.00 0.00 56.01 54.03 2cwd n LEU 34 Cb 0.61 -0.11 0.81 0.00 -2.33 0.00 0.00 43.42 42.40 2cwd n LEU 34 CO 0.44 0.47 1.15 -0.33 -1.33 0.00 0.00 177.39 177.79 2cwd h GLU 35 N 0.00 0.00 -0.00 3.23 5.08 -1.87 0.24 114.58 121.26 2cwd h GLU 35 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2cwd h GLU 35 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2cwd h GLU 35 CO 0.00 0.00 -0.31 -0.40 -1.00 0.00 0.00 179.01 177.30 2cwd n ASP 36 N -3.88 0.37 -0.36 1.42 5.75 -1.26 -3.92 116.55 114.67 2cwd n ASP 36 Ca 0.02 -0.07 0.07 0.00 -0.01 0.00 0.00 54.79 54.80 2cwd n ASP 36 Cb 0.34 -0.01 0.01 0.00 -1.03 0.00 0.00 41.12 40.43 2cwd n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2cwd n ARG 37 N -1.43 1.70 -3.82 0.11 1.74 0.05 -4.72 116.66 110.30 2cwd n ARG 37 Ca 0.07 -0.83 -0.12 0.00 -0.77 0.00 0.00 57.85 56.20 2cwd n ARG 37 Cb 0.33 -1.23 -0.09 0.00 -1.02 0.00 0.00 32.46 30.46 2cwd n ARG 37 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2cwd s PHE 38 N -1.67 -0.05 0.03 -1.55 0.08 -1.09 -1.54 117.98 112.18 2cwd s PHE 38 Ca 0.13 0.02 0.05 0.00 0.12 0.00 0.00 56.93 57.24 2cwd s PHE 38 Cb 0.12 0.02 -0.02 0.00 -0.57 0.00 0.00 43.02 42.57 2cwd s PHE 38 CO 0.34 -0.36 -0.15 -1.21 -0.10 0.00 0.00 175.22 173.74 2cwd s GLU 39 N -1.54 1.06 0.06 0.44 2.02 -0.65 -4.82 118.70 115.27 2cwd s GLU 39 Ca -0.13 -0.71 -0.03 0.00 0.02 0.00 0.00 54.97 54.12 2cwd s GLU 39 Cb -0.06 -1.07 -0.03 0.00 0.10 0.00 0.00 34.13 33.07 2cwd s GLU 39 CO 0.02 0.27 0.03 0.54 0.02 0.00 0.00 175.26 176.14 2cwd s VAL 40 N -0.70 0.20 0.17 2.63 0.11 -1.26 -0.74 120.40 120.81 2cwd s VAL 40 Ca 0.03 -1.63 -0.23 0.00 -2.93 0.00 0.00 61.98 57.22 2cwd s VAL 40 Cb -0.07 -1.45 0.08 0.00 -1.53 0.00 0.00 36.38 33.40 2cwd s VAL 40 CO 0.01 -0.90 1.04 -0.62 -3.33 0.00 0.00 175.10 171.29 2cwd s ASP 41 N -2.88 -0.04 0.01 3.54 2.15 -0.89 -4.98 116.67 113.59 2cwd s ASP 41 Ca 0.06 -0.59 -0.08 0.00 0.43 0.00 0.00 52.55 52.38 2cwd s ASP 41 Cb 0.07 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 43.17 2cwd s ASP 41 CO -0.10 -0.93 0.15 -0.94 -0.17 0.00 0.00 175.17 173.18 2cwd s SER 42 N -3.29 0.04 0.17 -0.34 1.04 -1.26 -1.53 113.70 108.53 2cwd s SER 42 Ca 0.20 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.22 2cwd s SER 42 Cb -0.02 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.34 2cwd s SER 42 CO 0.04 -0.43 0.37 0.00 0.98 0.00 0.00 173.24 174.20 2cwd s ALA 43 N -1.81 -0.41 0.15 5.32 0.00 -0.53 -4.70 121.76 119.78 2cwd s ALA 43 Ca -0.11 -0.58 0.10 0.00 0.00 0.00 0.00 51.96 51.37 2cwd s ALA 43 Cb -0.05 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2cwd s ALA 43 CO -0.00 -0.70 -0.22 0.20 0.00 0.00 0.00 175.76 175.04 2cwd s GLY 44 N -2.92 1.66 0.32 0.00 0.00 0.10 -2.95 107.32 103.52 2cwd s GLY 44 Ca 0.13 -1.49 0.13 0.00 0.00 0.00 0.00 44.72 43.49 2cwd s GLY 44 CO -0.02 -1.48 1.68 -0.91 0.00 0.00 0.00 173.10 172.37 2cwd h THR 45 N 3.48 1.27 -1.88 0.90 1.35 -0.95 0.18 112.91 117.27 2cwd h THR 45 Ca -0.49 -1.83 -0.44 0.00 -0.55 0.00 0.00 66.41 63.10 2cwd h THR 45 Cb 1.18 2.01 0.04 0.00 -1.73 0.00 0.00 68.15 69.66 2cwd h THR 45 CO 0.45 0.51 -0.09 -0.83 -0.25 0.00 0.00 175.52 175.30 2cwd s GLY 46 N -4.41 1.84 0.00 5.82 0.00 -0.64 -4.75 107.32 105.19 2cwd s GLY 46 Ca -0.01 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.10 2cwd s GLY 46 CO 0.74 -1.29 0.85 0.00 0.00 0.00 0.00 173.10 173.40 2cwd n ALA 47 N -2.26 2.18 -0.33 3.20 0.00 -1.26 -4.54 120.51 117.50 2cwd n ALA 47 Ca 0.10 -0.84 0.03 0.00 0.00 0.00 0.00 53.44 52.73 2cwd n ALA 47 Cb 0.60 -0.03 0.21 0.00 0.00 0.00 0.00 19.45 20.23 2cwd n ALA 47 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2cwd h TRP 48 N 0.13 1.12 -0.67 0.00 2.91 -1.92 -2.93 115.95 114.59 2cwd h TRP 48 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 2cwd h TRP 48 Cb 0.35 -0.37 0.00 0.00 -0.51 0.00 0.00 29.16 28.63 2cwd h TRP 48 CO 0.01 0.60 0.00 0.72 -1.03 0.00 0.00 178.44 178.74 2cwd n HIS 49 N -4.48 1.16 -1.62 2.65 8.25 -1.26 -5.02 115.22 114.90 2cwd n HIS 49 Ca 0.14 -0.55 -0.50 0.00 -0.26 0.00 0.00 57.72 56.55 2cwd n HIS 49 Cb 0.17 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 2cwd n HIS 49 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2cwd n VAL 50 N 1.35 0.01 -0.20 1.59 0.31 -1.11 -1.40 118.33 118.89 2cwd n VAL 50 Ca 0.24 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 2cwd n VAL 50 Cb 0.73 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 2cwd n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2cwd n GLY 51 N 2.93 1.49 3.89 2.92 0.00 0.68 -4.97 105.19 112.14 2cwd n GLY 51 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2cwd n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cwd s GLU 52 N -0.39 3.73 0.98 1.61 2.02 -0.49 -4.71 118.70 121.45 2cwd s GLU 52 Ca 0.00 0.24 -0.16 0.00 0.02 0.00 0.00 54.97 55.07 2cwd s GLU 52 Cb 0.00 -2.55 0.20 0.00 0.10 0.00 0.00 34.13 31.88 2cwd s GLU 52 CO 0.00 0.14 1.28 -1.25 0.02 0.00 0.00 175.26 175.45 2cwd s PRO 53 N -3.51 0.52 0.83 0.39 0.04 -1.26 0.04 135.00 132.04 2cwd s PRO 53 Ca 0.48 -0.31 -0.11 0.00 0.04 0.00 0.00 61.00 61.10 2cwd s PRO 53 Cb -0.11 -1.82 0.09 0.00 0.04 0.00 0.00 34.50 32.70 2cwd s PRO 53 CO 0.28 -2.51 1.09 0.00 0.04 0.00 0.00 177.00 175.91 2cwd s MET 54 N -5.79 1.81 0.35 4.56 0.23 -1.26 -4.74 119.30 114.45 2cwd s MET 54 Ca 0.72 0.91 -0.28 0.00 -1.03 0.00 0.00 55.69 56.02 2cwd s MET 54 Cb -0.05 -1.86 -0.12 0.00 -1.53 0.00 0.00 34.83 31.26 2cwd s MET 54 CO 0.53 -1.88 1.38 -3.47 -2.03 0.00 0.00 175.02 169.54 2cwd n ASP 55 N -3.65 3.16 -0.27 -1.18 -0.08 0.84 -4.73 116.55 110.63 2cwd n ASP 55 Ca 0.08 1.21 0.20 0.00 -1.51 0.00 0.00 54.79 54.77 2cwd n ASP 55 Cb 0.55 -1.53 0.51 0.00 2.34 0.00 0.00 41.12 42.98 2cwd n ASP 55 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2cwd h PRO 56 N 2.87 0.40 -0.28 -0.67 0.11 -1.92 0.13 132.00 132.63 2cwd h PRO 56 Ca -0.48 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 2cwd h PRO 56 Cb 1.27 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2cwd h PRO 56 CO 0.64 0.26 -0.41 0.00 -0.21 0.00 0.00 178.00 178.29 2cwd h ARG 57 N 0.41 0.68 -0.19 1.05 3.08 -1.96 -0.83 114.38 116.62 2cwd h ARG 57 Ca 0.51 -0.35 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 2cwd h ARG 57 Cb 1.28 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 2cwd h ARG 57 CO -0.21 0.96 -0.12 0.00 -1.07 0.00 0.00 179.97 179.53 2cwd h ALA 58 N 0.99 0.27 -0.73 0.04 0.00 -1.16 -1.80 119.26 116.88 2cwd h ALA 58 Ca 0.04 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2cwd h ALA 58 Cb 0.94 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2cwd h ALA 58 CO 0.09 0.13 0.45 -0.09 0.00 0.00 0.00 179.25 179.82 2cwd h ARG 59 N 0.10 0.83 0.15 0.00 2.43 -0.94 -1.12 114.38 115.83 2cwd h ARG 59 Ca 0.04 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2cwd h ARG 59 Cb 0.63 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2cwd h ARG 59 CO 0.03 0.55 -0.09 -0.09 -1.51 0.00 0.00 179.97 178.86 2cwd h ARG 60 N 0.86 -0.23 -0.55 0.20 9.65 -1.03 -1.61 114.38 121.68 2cwd h ARG 60 Ca 0.30 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.16 2cwd h ARG 60 Cb 0.07 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 2cwd h ARG 60 CO -0.13 -0.15 0.18 0.28 2.80 0.00 0.00 179.97 182.95 2cwd h VAL 61 N -0.23 1.21 -0.44 0.20 2.07 -1.03 -1.78 116.25 116.24 2cwd h VAL 61 Ca -0.01 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 2cwd h VAL 61 Cb 0.20 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2cwd h VAL 61 CO 0.01 0.27 -0.05 -0.07 0.02 0.00 0.00 177.57 177.76 2cwd h LEU 62 N 0.80 0.81 -1.01 2.57 3.38 -1.06 -2.96 115.31 117.83 2cwd h LEU 62 Ca 0.18 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2cwd h LEU 62 Cb 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2cwd h LEU 62 CO -0.01 0.95 0.13 -0.33 0.09 0.00 0.00 178.44 179.27 2cwd h GLU 63 N 0.65 0.84 0.00 1.13 5.08 -0.97 0.17 114.58 121.48 2cwd h GLU 63 Ca 0.12 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2cwd h GLU 63 Cb 0.56 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2cwd h GLU 63 CO 0.03 0.76 0.00 0.93 -1.00 0.00 0.00 179.01 179.73 2cwd h GLU 64 N 0.81 0.00 -0.04 2.33 5.08 -1.16 -0.57 114.58 121.02 2cwd h GLU 64 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2cwd h GLU 64 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2cwd h GLU 64 CO -0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 2cwd n GLU 65 N -2.73 1.31 -3.50 2.33 -0.58 -0.34 -5.01 120.64 112.13 2cwd n GLU 65 Ca -0.02 -1.17 -0.20 0.00 -0.42 0.00 0.00 57.16 55.35 2cwd n GLU 65 Cb 0.06 -1.05 0.08 0.00 -0.57 0.00 0.00 31.44 29.97 2cwd n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2cwd n GLY 66 N -0.10 -0.44 0.08 0.62 0.00 0.28 -4.90 105.19 100.72 2cwd n GLY 66 Ca 0.02 0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.24 2cwd n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwd n ALA 67 N -4.52 1.93 -1.70 4.61 0.00 0.35 -4.96 120.51 116.21 2cwd n ALA 67 Ca -0.15 -1.43 -0.33 0.00 0.00 0.00 0.00 53.44 51.53 2cwd n ALA 67 Cb 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2cwd n ALA 67 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2cwd s TYR 68 N -1.32 2.99 -0.01 0.00 5.04 -1.24 -4.37 117.35 118.43 2cwd s TYR 68 Ca 0.10 1.52 -0.25 0.00 -2.44 0.00 0.00 57.07 56.00 2cwd s TYR 68 Cb 0.09 -3.02 0.06 0.00 0.35 0.00 0.00 41.96 39.43 2cwd s TYR 68 CO 0.01 -1.06 0.56 -0.59 -1.34 0.00 0.00 175.55 173.13 2cwd s PHE 69 N -2.34 -0.49 -0.32 4.97 -0.12 -1.26 -5.03 117.98 113.38 2cwd s PHE 69 Ca 0.65 0.73 -0.21 0.00 -0.05 0.00 0.00 56.93 58.04 2cwd s PHE 69 Cb -0.16 0.34 -0.23 0.00 -0.63 0.00 0.00 43.02 42.34 2cwd s PHE 69 CO 0.33 -0.59 1.66 -0.35 -0.05 0.00 0.00 175.22 176.22 2cwd n PRO 70 N 0.77 0.66 -2.37 1.99 -0.04 -1.26 -4.94 135.00 129.81 2cwd n PRO 70 Ca -0.19 -1.23 -0.36 0.00 -0.04 0.00 0.00 63.50 61.67 2cwd n PRO 70 Cb 0.58 -2.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.47 2cwd n PRO 70 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2cwd s HIS 71 N 5.76 2.95 -0.09 0.54 2.46 -1.26 -5.06 115.29 120.59 2cwd s HIS 71 Ca 0.53 1.57 -0.02 0.00 0.47 0.00 0.00 55.06 57.61 2cwd s HIS 71 Cb 0.12 -3.26 0.04 0.00 -0.13 0.00 0.00 32.58 29.35 2cwd s HIS 71 CO 0.19 -1.21 0.02 0.08 -2.47 0.00 0.00 174.74 171.36 2cwd s VAL 72 N -1.68 0.28 0.35 0.89 1.01 -1.26 -4.26 120.40 115.73 2cwd s VAL 72 Ca 0.64 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.38 2cwd s VAL 72 Cb -0.24 -0.55 -0.11 0.00 0.00 0.00 0.00 36.38 35.48 2cwd s VAL 72 CO 0.29 0.13 1.52 0.00 0.00 0.00 0.00 175.10 177.05 2cwd s ALA 73 N 2.00 3.63 0.12 5.51 0.00 0.11 -4.83 121.76 128.30 2cwd s ALA 73 Ca 0.04 1.57 -0.11 0.00 0.00 0.00 0.00 51.96 53.46 2cwd s ALA 73 Cb -0.13 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.37 2cwd s ALA 73 CO -0.06 -1.03 0.29 -0.98 0.00 0.00 0.00 175.76 173.98 2cwd s ARG 74 N -1.53 0.99 -0.00 0.00 1.70 -1.26 -0.23 118.95 118.62 2cwd s ARG 74 Ca 0.56 -0.92 -0.11 0.00 -0.47 0.00 0.00 55.73 54.80 2cwd s ARG 74 Cb -0.47 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.25 2cwd s ARG 74 CO 0.58 -0.36 0.33 0.50 -1.08 0.00 0.00 175.30 175.27 2cwd s ARG 75 N -3.86 3.73 0.32 3.89 3.52 -1.26 -0.72 118.95 124.56 2cwd s ARG 75 Ca 0.07 0.17 -0.29 0.00 -0.13 0.00 0.00 55.73 55.54 2cwd s ARG 75 Cb 0.03 -3.14 -0.11 0.00 -1.56 0.00 0.00 34.95 30.17 2cwd s ARG 75 CO -0.09 0.67 1.55 -1.17 -0.81 0.00 0.00 175.30 175.45 2cwd s LEU 76 N -1.37 4.34 0.31 -0.88 2.96 0.63 -4.77 118.68 119.88 2cwd s LEU 76 Ca 0.25 2.98 0.07 0.00 -0.22 0.00 0.00 54.13 57.21 2cwd s LEU 76 Cb -0.15 -3.65 -0.06 0.00 0.50 0.00 0.00 46.19 42.84 2cwd s LEU 76 CO 0.13 -0.89 -0.06 0.42 -1.32 0.00 0.00 176.35 174.63 2cwd s THR 77 N -0.45 1.84 0.39 3.68 -4.23 -1.26 -4.96 115.64 110.65 2cwd s THR 77 Ca 0.59 -2.14 0.07 0.00 -1.18 0.00 0.00 61.69 59.02 2cwd s THR 77 Cb -0.47 -2.55 0.23 0.00 1.34 0.00 0.00 72.50 71.04 2cwd s THR 77 CO 0.54 -0.24 2.00 -0.09 -0.54 0.00 0.00 174.62 176.28 2cwd h ARG 78 N 2.16 0.50 -0.65 3.99 2.43 -1.98 -1.36 114.38 119.47 2cwd h ARG 78 Ca -0.41 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 2cwd h ARG 78 Cb 1.24 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 2cwd h ARG 78 CO 0.69 0.41 0.28 1.49 -1.51 0.00 0.00 179.97 181.33 2cwd h GLU 79 N 0.51 0.94 -0.36 0.20 4.81 -2.00 -2.58 114.58 116.09 2cwd h GLU 79 Ca 0.13 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2cwd h GLU 79 Cb 0.08 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2cwd h GLU 79 CO -0.02 0.75 0.24 -0.44 -0.73 0.00 0.00 179.01 178.81 2cwd h ASP 80 N 0.93 0.41 -0.58 1.04 3.32 -1.65 0.31 116.42 120.19 2cwd h ASP 80 Ca 0.22 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.34 2cwd h ASP 80 Cb 0.14 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2cwd h ASP 80 CO -0.02 0.29 0.39 0.58 -1.72 0.00 0.00 179.24 178.76 2cwd h VAL 81 N 0.48 0.96 0.19 -1.35 2.07 -1.27 -1.18 116.25 116.16 2cwd h VAL 81 Ca 0.13 -0.17 -0.32 0.00 0.82 0.00 0.00 66.70 67.16 2cwd h VAL 81 Cb -0.05 0.41 0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2cwd h VAL 81 CO -0.03 0.09 -1.51 0.25 0.02 0.00 0.00 177.57 176.39 2cwd h LEU 82 N 0.51 0.63 -1.05 2.57 5.85 -1.24 -3.37 115.31 119.22 2cwd h LEU 82 Ca 0.26 -0.92 -0.10 0.00 0.84 0.00 0.00 57.88 57.96 2cwd h LEU 82 Cb 0.36 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2cwd h LEU 82 CO -0.07 1.70 -0.42 0.00 -0.34 0.00 0.00 178.44 179.30 2cwd h ALA 83 N 0.09 1.20 -2.69 1.25 0.00 -0.58 -3.45 119.26 115.09 2cwd h ALA 83 Ca -0.29 -0.40 -0.58 0.00 0.00 0.00 0.00 54.91 53.63 2cwd h ALA 83 Cb 2.01 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 2cwd h ALA 83 CO 0.18 0.57 -0.28 0.71 0.00 0.00 0.00 179.25 180.43 2cwd s TYR 84 N -4.08 3.50 -0.05 0.00 2.02 -0.48 -4.88 117.35 113.37 2cwd s TYR 84 Ca -0.03 0.64 -0.08 0.00 -0.37 0.00 0.00 57.07 57.23 2cwd s TYR 84 Cb 0.14 -2.06 -0.29 0.00 -0.40 0.00 0.00 41.96 39.34 2cwd s TYR 84 CO 0.75 0.45 0.65 -0.44 -1.57 0.00 0.00 175.55 175.40 2cwd h ASP 85 N 3.10 0.53 -3.23 2.29 3.32 -1.42 -3.46 116.42 117.54 2cwd h ASP 85 Ca -0.47 -0.84 -0.57 0.00 0.02 0.00 0.00 57.03 55.16 2cwd h ASP 85 Cb 1.17 -0.17 -0.35 0.00 0.22 0.00 0.00 39.33 40.20 2cwd h ASP 85 CO 0.70 1.72 -0.83 -1.00 -1.72 0.00 0.00 179.24 178.11 2cwd s HIS 86 N -2.58 1.90 -0.38 4.55 3.76 -0.62 -4.81 115.29 117.12 2cwd s HIS 86 Ca -0.15 -0.93 -0.03 0.00 -0.15 0.00 0.00 55.06 53.80 2cwd s HIS 86 Cb 0.06 -1.40 0.09 0.00 1.11 0.00 0.00 32.58 32.44 2cwd s HIS 86 CO 0.84 -0.51 0.15 0.42 -0.85 0.00 0.00 174.74 174.79 2cwd s ILE 87 N 1.18 3.26 -0.37 0.60 1.01 -0.94 -0.38 121.20 125.55 2cwd s ILE 87 Ca -0.03 -1.83 -0.13 0.00 0.00 0.00 0.00 60.65 58.66 2cwd s ILE 87 Cb -0.14 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.21 2cwd s ILE 87 CO -0.04 -0.52 0.25 -0.76 0.00 0.00 0.00 174.94 173.87 2cwd s LEU 88 N 1.19 4.77 0.29 2.97 1.43 0.47 -1.68 118.68 128.12 2cwd s LEU 88 Ca 0.04 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.39 2cwd s LEU 88 Cb -0.22 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 2cwd s LEU 88 CO -0.03 -0.35 0.50 0.68 0.23 0.00 0.00 176.35 177.38 2cwd s VAL 89 N 1.66 5.12 -0.05 -1.59 -7.23 -0.82 -0.54 120.40 116.96 2cwd s VAL 89 Ca 0.05 -0.36 -0.22 0.00 -1.81 0.00 0.00 61.98 59.64 2cwd s VAL 89 Cb -0.18 -3.80 -0.28 0.00 0.56 0.00 0.00 36.38 32.67 2cwd s VAL 89 CO 0.09 -0.40 0.94 0.24 -0.31 0.00 0.00 175.10 175.66 2cwd h MET 90 N 1.28 0.28 -4.94 4.82 0.00 -1.73 -0.85 114.93 113.79 2cwd h MET 90 Ca -0.49 -0.42 -0.44 0.00 0.00 0.00 0.00 59.70 58.35 2cwd h MET 90 Cb 1.21 0.15 -0.14 0.00 0.00 0.00 0.00 31.60 32.81 2cwd h MET 90 CO 0.64 1.16 -0.55 0.16 0.00 0.00 0.00 176.91 178.32 2cwd s ASP 91 N -6.79 1.82 0.48 1.22 1.47 -1.26 -0.55 116.67 113.06 2cwd s ASP 91 Ca -0.14 -1.57 0.22 0.00 1.18 0.00 0.00 52.55 52.24 2cwd s ASP 91 Cb 0.01 0.37 1.20 0.00 -0.34 0.00 0.00 42.92 44.16 2cwd s ASP 91 CO 0.81 -0.87 2.00 0.03 0.68 0.00 0.00 175.17 177.81 2cwd h ARG 92 N 2.13 0.00 -0.54 2.11 3.08 -1.93 -2.12 114.38 117.11 2cwd h ARG 92 Ca -0.34 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.60 2cwd h ARG 92 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 2cwd h ARG 92 CO 0.54 0.18 -0.08 1.49 -1.07 0.00 0.00 179.97 181.03 2cwd h GLU 93 N 0.00 1.01 -0.63 0.04 4.81 -1.99 -1.68 114.58 116.14 2cwd h GLU 93 Ca -0.00 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.83 2cwd h GLU 93 Cb 0.42 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2cwd h GLU 93 CO 0.02 1.05 0.25 -0.91 -0.73 0.00 0.00 179.01 178.69 2cwd h ASN 94 N 0.89 0.87 -0.28 1.04 -0.26 -1.80 -1.44 115.58 114.59 2cwd h ASN 94 Ca 0.14 -0.17 0.01 0.00 -0.56 0.00 0.00 56.30 55.72 2cwd h ASN 94 Cb 0.65 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.66 2cwd h ASN 94 CO 0.04 0.81 0.15 0.25 -1.06 0.00 0.00 177.43 177.62 2cwd h LEU 95 N 0.88 0.23 -0.54 1.61 5.85 -1.16 -0.25 115.31 121.94 2cwd h LEU 95 Ca 0.21 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 2cwd h LEU 95 Cb 0.21 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2cwd h LEU 95 CO -0.02 0.17 0.04 -0.33 -0.34 0.00 0.00 178.44 177.97 2cwd h GLU 96 N 0.31 0.92 -0.66 1.25 4.39 -1.16 -1.69 114.58 117.94 2cwd h GLU 96 Ca 0.11 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 2cwd h GLU 96 Cb 0.02 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 2cwd h GLU 96 CO -0.07 0.92 0.21 1.49 -1.16 0.00 0.00 179.01 180.41 2cwd h GLU 97 N 0.80 1.02 -0.45 2.33 4.57 -0.99 0.22 114.58 122.08 2cwd h GLU 97 Ca 0.16 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 2cwd h GLU 97 Cb 0.47 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2cwd h GLU 97 CO 0.02 0.88 0.16 0.28 -1.18 0.00 0.00 179.01 179.18 2cwd h VAL 98 N 0.95 1.21 0.00 0.32 2.07 -0.92 -1.67 116.25 118.22 2cwd h VAL 98 Ca 0.21 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 2cwd h VAL 98 Cb 0.28 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2cwd h VAL 98 CO -0.01 0.25 -0.37 -0.07 0.02 0.00 0.00 177.57 177.39 2cwd h LEU 99 N 0.59 0.00 0.40 2.57 3.38 -1.03 0.86 115.31 122.07 2cwd h LEU 99 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2cwd h LEU 99 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2cwd h LEU 99 CO -0.01 0.37 -0.19 -0.09 0.09 0.00 0.00 178.44 178.61 2cwd h ARG 100 N 0.00 -0.52 -0.29 1.13 1.12 -0.19 -2.19 114.38 113.45 2cwd h ARG 100 Ca -0.00 0.04 -0.18 0.00 -1.11 0.00 0.00 59.98 58.72 2cwd h ARG 100 Cb 0.81 0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.89 2cwd h ARG 100 CO 0.05 -0.20 -0.53 0.00 -3.11 0.00 0.00 179.97 176.18 2cwd h ARG 101 N -0.89 0.88 -2.39 0.20 3.08 -1.28 -3.38 114.38 110.59 2cwd h ARG 101 Ca -0.05 -0.55 -0.59 0.00 0.07 0.00 0.00 59.98 58.85 2cwd h ARG 101 Cb 0.55 0.06 -0.40 0.00 0.08 0.00 0.00 29.97 30.26 2cwd h ARG 101 CO 0.09 1.19 -0.81 1.19 -1.07 0.00 0.00 179.97 180.55 2cwd n PHE 102 N -4.03 1.47 0.31 3.04 3.72 0.29 -4.93 117.46 117.33 2cwd n PHE 102 Ca -0.04 -3.84 0.14 0.00 -0.05 0.00 0.00 57.45 53.65 2cwd n PHE 102 Cb 0.62 -0.33 0.72 0.00 -0.94 0.00 0.00 39.48 39.55 2cwd n PHE 102 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2cwd h PRO 103 N 4.74 0.00 0.00 -1.08 0.13 -1.58 0.19 132.00 134.41 2cwd h PRO 103 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2cwd h PRO 103 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2cwd h PRO 103 CO 0.60 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.30 2cwd h GLU 104 N 0.00 0.00 0.00 0.86 5.08 -1.91 -2.59 114.58 116.02 2cwd h GLU 104 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2cwd h GLU 104 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2cwd h GLU 104 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2cwd n ALA 105 N -1.98 2.23 -0.25 3.43 0.00 0.67 -4.44 120.51 120.18 2cwd n ALA 105 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 2cwd n ALA 105 Cb 0.19 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.24 2cwd n ALA 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2cwd n ARG 106 N -1.41 -0.16 -0.11 0.00 5.12 -0.98 0.13 116.66 119.25 2cwd n ARG 106 Ca 0.09 0.99 0.02 0.00 -1.93 0.00 0.00 57.85 57.02 2cwd n ARG 106 Cb 0.26 -1.46 0.08 0.00 -1.16 0.00 0.00 32.46 30.17 2cwd n ARG 106 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2cwd n GLY 107 N -1.29 0.29 0.00 -0.13 0.00 -1.26 -4.14 105.19 98.66 2cwd n GLY 107 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2cwd n GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cwd n LYS 108 N 0.02 2.68 -3.02 1.61 5.02 0.12 -5.07 118.16 119.53 2cwd n LYS 108 Ca 0.06 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.96 2cwd n LYS 108 Cb 0.22 -0.85 -0.06 0.00 -0.02 0.00 0.00 35.03 34.32 2cwd n LYS 108 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2cwd s VAL 109 N -1.70 4.43 -0.09 -0.18 0.11 -0.85 -2.22 120.40 119.90 2cwd s VAL 109 Ca 0.00 1.59 -0.31 0.00 -2.93 0.00 0.00 61.98 60.33 2cwd s VAL 109 Cb 0.00 -4.06 0.12 0.00 -1.53 0.00 0.00 36.38 30.91 2cwd s VAL 109 CO 0.00 0.45 1.02 0.00 -3.33 0.00 0.00 175.10 173.23 2cwd s ARG 110 N -1.35 0.61 0.31 1.54 1.70 -0.68 -4.97 118.95 116.11 2cwd s ARG 110 Ca 0.37 -0.18 -0.29 0.00 -0.47 0.00 0.00 55.73 55.16 2cwd s ARG 110 Cb -0.21 0.28 -0.11 0.00 -0.57 0.00 0.00 34.95 34.34 2cwd s ARG 110 CO 0.25 -0.26 1.54 -0.51 -1.08 0.00 0.00 175.30 175.24 2cwd s LEU 111 N -2.21 4.34 0.48 -1.89 1.43 -1.26 -1.93 118.68 117.64 2cwd s LEU 111 Ca 0.06 2.95 0.19 0.00 -1.03 0.00 0.00 54.13 56.30 2cwd s LEU 111 Cb -0.01 -3.64 1.21 0.00 0.03 0.00 0.00 46.19 43.78 2cwd s LEU 111 CO -0.06 -0.88 2.05 1.62 0.23 0.00 0.00 176.35 179.31 2cwd h VAL 112 N 3.27 0.93 0.00 -1.59 3.04 -1.43 -1.73 116.25 118.75 2cwd h VAL 112 Ca -0.48 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 2cwd h VAL 112 Cb 1.23 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2cwd h VAL 112 CO 0.75 0.13 0.00 0.18 -1.01 0.00 0.00 177.57 177.62 2cwd n LEU 113 N -4.15 0.00 0.31 3.16 4.77 -1.26 -3.50 117.00 116.33 2cwd n LEU 113 Ca -0.02 0.16 0.21 0.00 -0.03 0.00 0.00 56.01 56.32 2cwd n LEU 113 Cb 0.21 -0.16 1.10 0.00 -2.33 0.00 0.00 43.42 42.24 2cwd n LEU 113 CO 0.34 -0.01 1.12 -0.08 -1.33 0.00 0.00 177.39 177.43 2cwd h GLU 114 N 0.00 0.00 0.00 3.23 4.57 -1.58 0.37 114.58 121.17 2cwd h GLU 114 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2cwd h GLU 114 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2cwd h GLU 114 CO 0.00 0.00 0.00 -1.91 -1.18 0.00 0.00 179.01 175.92 2cwd n GLU 115 N -2.97 0.84 -1.71 1.92 4.07 -1.23 -2.82 120.64 118.75 2cwd n GLU 115 Ca -0.02 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.09 2cwd n GLU 115 Cb 0.09 -1.49 0.06 0.00 -0.06 0.00 0.00 31.44 30.04 2cwd n GLU 115 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2cwd n LEU 116 N -0.99 1.74 0.00 4.31 4.77 0.13 -4.80 117.00 122.16 2cwd n LEU 116 Ca 0.20 -2.79 0.00 0.00 -0.03 0.00 0.00 56.01 53.39 2cwd n LEU 116 Cb 0.09 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2cwd n LEU 116 CO 0.15 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 2cwd n GLY 117 N -0.14 2.57 0.00 -0.72 0.00 -1.13 -4.93 105.19 100.85 2cwd n GLY 117 Ca 0.11 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2cwd n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwd n GLY 118 N 0.00 -0.24 0.00 -0.02 0.00 -0.99 -4.83 105.19 99.11 2cwd n GLY 118 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2cwd n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwd n GLY 119 N -0.88 1.82 3.29 -0.02 0.00 -1.26 -4.68 105.19 103.46 2cwd n GLY 119 Ca 0.00 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 2cwd n GLY 119 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cwd s GLU 120 N -1.67 1.83 -0.66 1.61 2.02 -1.26 -4.49 118.70 116.07 2cwd s GLU 120 Ca 0.00 -0.93 -0.19 0.00 0.02 0.00 0.00 54.97 53.87 2cwd s GLU 120 Cb 0.00 -1.85 0.11 0.00 0.10 0.00 0.00 34.13 32.50 2cwd s GLU 120 CO 0.00 0.50 0.80 0.08 0.02 0.00 0.00 175.26 176.65 2cwd s VAL 121 N -0.65 4.80 0.37 2.63 1.01 0.29 -4.98 120.40 123.87 2cwd s VAL 121 Ca 0.10 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 2cwd s VAL 121 Cb -0.09 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 2cwd s VAL 121 CO 0.00 -1.21 0.64 -1.58 0.00 0.00 0.00 175.10 172.95 2cwd s GLN 122 N 2.68 3.57 0.11 2.72 0.74 -1.26 -4.41 119.66 123.81 2cwd s GLN 122 Ca 0.16 -0.01 -0.31 0.00 0.05 0.00 0.00 55.36 55.25 2cwd s GLN 122 Cb -0.20 -2.55 -0.10 0.00 1.10 0.00 0.00 33.01 31.26 2cwd s GLN 122 CO 0.04 0.05 1.82 0.34 -0.55 0.00 0.00 175.29 176.98 2cwd s ASP 123 N -3.72 6.45 0.00 6.67 2.15 -1.26 -4.88 116.67 122.07 2cwd s ASP 123 Ca 0.44 2.72 0.29 0.00 0.43 0.00 0.00 52.55 56.43 2cwd s ASP 123 Cb -0.10 -2.56 1.31 0.00 -0.30 0.00 0.00 42.92 41.27 2cwd s ASP 123 CO 0.36 -0.99 1.89 -0.81 -0.17 0.00 0.00 175.17 175.45 2cwd n PRO 124 N 5.82 1.42 -0.35 4.34 -0.04 -1.26 -4.46 135.00 140.47 2cwd n PRO 124 Ca 0.18 -0.64 0.27 0.00 -0.04 0.00 0.00 63.50 63.26 2cwd n PRO 124 Cb 0.39 -1.49 0.56 0.00 -0.04 0.00 0.00 33.50 32.92 2cwd n PRO 124 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2cwd h TYR 125 N 1.56 0.58 -0.61 0.54 3.20 -1.97 0.18 116.97 120.46 2cwd h TYR 125 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2cwd h TYR 125 Cb 0.34 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2cwd h TYR 125 CO 0.00 -0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.18 2cwd n TYR 126 N -4.61 1.58 -1.87 -3.82 4.01 -1.26 -4.94 117.16 106.24 2cwd n TYR 126 Ca 0.28 -0.60 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 2cwd n TYR 126 Cb 1.02 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.75 2cwd n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2cwd n GLY 127 N 0.99 4.36 3.20 2.72 0.00 0.65 -5.17 105.19 111.94 2cwd n GLY 127 Ca 0.25 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.11 2cwd n GLY 127 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cwd n ASP 128 N 0.00 3.04 -0.34 1.61 5.68 -1.26 -4.99 116.55 120.29 2cwd n ASP 128 Ca 0.00 -2.97 0.12 0.00 -0.50 0.00 0.00 54.79 51.43 2cwd n ASP 128 Cb 0.00 0.38 0.30 0.00 -1.14 0.00 0.00 41.12 40.66 2cwd n ASP 128 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2cwd h LEU 129 N 0.00 0.70 -1.65 -2.12 -0.00 -1.95 0.20 115.31 110.49 2cwd h LEU 129 Ca -0.37 0.10 0.02 0.00 -0.00 0.00 0.00 57.88 57.63 2cwd h LEU 129 Cb 1.13 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.75 2cwd h LEU 129 CO 0.60 0.25 0.26 -0.08 -0.00 0.00 0.00 178.44 179.47 2cwd h GLU 130 N 0.71 0.45 -0.30 1.13 4.57 -1.98 0.34 114.58 119.50 2cwd h GLU 130 Ca 0.55 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.65 2cwd h GLU 130 Cb 0.85 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 2cwd h GLU 130 CO -0.39 0.30 -0.03 -0.44 -1.18 0.00 0.00 179.01 177.28 2cwd h ASP 131 N 0.47 0.54 -0.17 1.04 3.32 -1.00 -0.59 116.42 120.02 2cwd h ASP 131 Ca 0.15 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 2cwd h ASP 131 Cb 0.04 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2cwd h ASP 131 CO -0.03 0.74 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.94 2cwd h PHE 132 N 0.33 0.46 -0.40 4.55 0.04 -0.63 -1.38 116.94 119.90 2cwd h PHE 132 Ca 0.08 -0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.66 2cwd h PHE 132 Cb 0.48 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 2cwd h PHE 132 CO 0.04 0.47 -0.35 0.00 -0.60 0.00 0.00 178.31 177.88 2cwd h ARG 133 N 0.42 0.94 -0.80 1.51 3.08 -0.07 -1.23 114.38 118.22 2cwd h ARG 133 Ca 0.09 -0.47 -0.05 0.00 0.07 0.00 0.00 59.98 59.62 2cwd h ARG 133 Cb 0.32 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2cwd h ARG 133 CO 0.01 1.13 0.32 0.93 -1.07 0.00 0.00 179.97 181.29 2cwd h GLU 134 N 0.78 1.20 0.04 0.04 5.08 -0.57 -2.35 114.58 118.80 2cwd h GLU 134 Ca 0.07 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2cwd h GLU 134 Cb 0.94 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2cwd h GLU 134 CO 0.09 0.97 -0.02 0.28 -1.00 0.00 0.00 179.01 179.33 2cwd h VAL 135 N 1.17 1.02 -0.44 3.13 2.07 -1.08 -1.67 116.25 120.45 2cwd h VAL 135 Ca 0.27 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.70 2cwd h VAL 135 Cb 0.22 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 2cwd h VAL 135 CO -0.02 0.04 -0.26 0.22 0.02 0.00 0.00 177.57 177.57 2cwd h TYR 136 N -0.13 -0.69 0.00 1.57 3.20 -0.92 0.10 116.97 120.11 2cwd h TYR 136 Ca -0.01 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2cwd h TYR 136 Cb 0.11 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2cwd h TYR 136 CO -0.05 -0.33 -0.25 -1.49 -1.64 0.00 0.00 178.16 174.39 2cwd h TRP 137 N -0.17 0.00 -0.15 -3.82 4.06 -1.31 0.35 115.95 114.90 2cwd h TRP 137 Ca 0.20 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 61.02 2cwd h TRP 137 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 2cwd h TRP 137 CO -0.51 0.25 -0.44 1.15 -3.56 0.00 0.00 178.44 175.34 2cwd h THR 138 N 0.00 1.35 -0.41 1.49 2.02 -0.19 -2.26 112.91 114.90 2cwd h THR 138 Ca -0.00 -1.71 -0.13 0.00 0.77 0.00 0.00 66.41 65.34 2cwd h THR 138 Cb 0.64 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 2cwd h THR 138 CO 0.03 0.52 -0.26 -0.07 0.37 0.00 0.00 175.52 176.11 2cwd h LEU 139 N 0.20 0.89 -0.10 2.58 3.38 -0.48 -2.46 115.31 119.32 2cwd h LEU 139 Ca -0.01 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.64 2cwd h LEU 139 Cb 1.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2cwd h LEU 139 CO 0.09 1.10 -0.10 -0.08 0.09 0.00 0.00 178.44 179.55 2cwd h GLU 140 N 0.74 -0.11 -0.35 1.13 4.22 -0.28 0.18 114.58 120.11 2cwd h GLU 140 Ca 0.09 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.54 2cwd h GLU 140 Cb 0.81 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2cwd h GLU 140 CO 0.07 -0.07 0.23 0.00 -2.18 0.00 0.00 179.01 177.05 2cwd h ALA 141 N 0.96 0.45 -0.40 2.92 0.00 -1.35 -0.58 119.26 121.25 2cwd h ALA 141 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2cwd h ALA 141 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2cwd h ALA 141 CO -0.17 -0.08 0.15 0.00 0.00 0.00 0.00 179.25 179.14 2cwd h ALA 142 N 1.12 0.53 -0.28 0.00 0.00 -1.07 -2.01 119.26 117.55 2cwd h ALA 142 Ca 0.13 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2cwd h ALA 142 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2cwd h ALA 142 CO -0.03 0.15 -0.25 -0.07 0.00 0.00 0.00 179.25 179.06 2cwd h LEU 143 N 0.51 0.54 -0.75 0.00 3.38 -0.49 0.57 115.31 119.06 2cwd h LEU 143 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2cwd h LEU 143 Cb 0.22 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2cwd h LEU 143 CO -0.01 0.78 0.39 1.56 0.09 0.00 0.00 178.44 181.26 2cwd h GLN 144 N 0.47 1.07 -0.54 1.13 1.08 -0.93 -0.89 115.11 116.50 2cwd h GLN 144 Ca 0.07 -0.14 -0.08 0.00 -1.45 0.00 0.00 58.65 57.05 2cwd h GLN 144 Cb 0.68 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 2cwd h GLN 144 CO 0.05 0.81 0.01 0.00 -0.95 0.00 0.00 178.83 178.75 2cwd h ALA 145 N 1.20 0.73 -0.28 3.87 0.00 -0.82 -1.48 119.26 122.48 2cwd h ALA 145 Ca 0.26 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2cwd h ALA 145 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2cwd h ALA 145 CO -0.04 0.54 0.12 0.35 0.00 0.00 0.00 179.25 180.21 2cwd h PHE 146 N 0.82 0.21 -0.35 0.00 3.57 -0.32 -1.36 116.94 119.51 2cwd h PHE 146 Ca 0.15 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 2cwd h PHE 146 Cb 0.52 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2cwd h PHE 146 CO 0.04 0.11 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.05 2cwd h LEU 147 N 0.26 0.59 -0.33 0.59 3.38 -1.03 0.20 115.31 118.97 2cwd h LEU 147 Ca 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2cwd h LEU 147 Cb 0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2cwd h LEU 147 CO -0.10 0.73 0.15 0.44 0.09 0.00 0.00 178.44 179.75 2cwd h ASP 148 N 0.56 0.45 0.07 -0.43 3.32 -0.77 0.86 116.42 120.48 2cwd h ASP 148 Ca 0.10 -0.14 -0.21 0.00 0.02 0.00 0.00 57.03 56.80 2cwd h ASP 148 Cb 0.51 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2cwd h ASP 148 CO 0.03 0.47 -0.81 -0.09 -1.72 0.00 0.00 179.24 177.12 2cwd h ARG 149 N 0.40 0.60 -0.62 3.56 2.43 -1.03 -3.22 114.38 116.49 2cwd h ARG 149 Ca 0.11 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2cwd h ARG 149 Cb 0.15 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2cwd h ARG 149 CO -0.01 1.14 0.00 0.72 -1.51 0.00 0.00 179.97 180.31 2cwd n HIS 150 N -3.87 1.18 0.54 2.20 8.25 0.69 -5.10 115.22 119.11 2cwd n HIS 150 Ca -0.07 -0.58 0.06 0.00 -0.26 0.00 0.00 57.72 56.88 2cwd n HIS 150 Cb 0.76 -0.15 0.05 0.00 1.12 0.00 0.00 29.99 31.78 2cwd n HIS 150 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39