#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cwd s ASP 2 N 0.00 4.46 0.97 3.17 1.01 -1.26 -5.01 116.67 120.02 2cwd s ASP 2 Ca 0.00 2.28 -0.12 0.00 0.71 0.00 0.00 52.55 55.42 2cwd s ASP 2 Cb 0.00 -2.58 0.17 0.00 1.01 0.00 0.00 42.92 41.52 2cwd s ASP 2 CO 0.00 -2.08 1.11 0.00 0.21 0.00 0.00 175.17 174.41 2cwd s ARG 3 N -3.90 0.62 0.77 8.23 1.70 -1.26 -4.99 118.95 120.12 2cwd s ARG 3 Ca 0.73 0.40 -0.14 0.00 -0.47 0.00 0.00 55.73 56.26 2cwd s ARG 3 Cb -0.27 -1.77 0.06 0.00 -0.57 0.00 0.00 34.95 32.40 2cwd s ARG 3 CO 0.43 -2.58 1.20 -2.14 -1.08 0.00 0.00 175.30 171.14 2cwd s PRO 4 N -5.09 1.87 -0.02 3.89 0.02 -1.26 -4.96 135.00 129.44 2cwd s PRO 4 Ca 0.65 1.73 -0.27 0.00 0.02 0.00 0.00 61.00 63.12 2cwd s PRO 4 Cb -0.17 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 2cwd s PRO 4 CO 0.56 -2.04 0.87 0.08 -0.33 0.00 0.00 177.00 176.14 2cwd s VAL 5 N -2.12 4.91 -0.26 3.83 1.01 0.08 -4.79 120.40 123.07 2cwd s VAL 5 Ca 0.73 1.82 -0.10 0.00 0.00 0.00 0.00 61.98 64.44 2cwd s VAL 5 Cb -0.28 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 2cwd s VAL 5 CO 0.49 0.21 0.15 -0.13 0.00 0.00 0.00 175.10 175.81 2cwd s ARG 6 N 0.85 3.93 -0.11 2.72 0.52 -1.26 0.44 118.95 126.05 2cwd s ARG 6 Ca 0.46 -0.34 0.01 0.00 -0.52 0.00 0.00 55.73 55.34 2cwd s ARG 6 Cb -0.20 -3.53 -0.02 0.00 0.52 0.00 0.00 34.95 31.72 2cwd s ARG 6 CO 0.24 -0.09 -0.14 0.08 0.02 0.00 0.00 175.30 175.42 2cwd s VAL 7 N 1.45 3.03 -0.12 3.52 1.01 0.83 -1.51 120.40 128.61 2cwd s VAL 7 Ca 0.07 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2cwd s VAL 7 Cb -0.15 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2cwd s VAL 7 CO 0.07 0.54 -0.13 -0.22 0.00 0.00 0.00 175.10 175.36 2cwd s LEU 8 N 0.05 1.60 -0.09 3.92 2.96 0.26 -1.86 118.68 125.53 2cwd s LEU 8 Ca -0.05 -0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 53.29 2cwd s LEU 8 Cb -0.14 -1.07 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 2cwd s LEU 8 CO 0.04 -0.04 0.35 -0.36 -1.32 0.00 0.00 176.35 175.03 2cwd s PHE 9 N 1.32 3.59 -0.03 5.38 0.08 -0.54 -0.92 117.98 126.87 2cwd s PHE 9 Ca 0.00 0.79 0.02 0.00 0.12 0.00 0.00 56.93 57.87 2cwd s PHE 9 Cb -0.14 -2.31 0.00 0.00 -0.57 0.00 0.00 43.02 40.00 2cwd s PHE 9 CO -0.06 0.44 -0.09 0.08 -0.10 0.00 0.00 175.22 175.48 2cwd s VAL 10 N -0.27 0.79 0.00 -0.44 1.01 -0.40 -1.20 120.40 119.89 2cwd s VAL 10 Ca 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2cwd s VAL 10 Cb -0.15 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2cwd s VAL 10 CO 0.09 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.43 2cwd h LEU 12 N 0.00 -0.08 0.00 0.00 5.85 -1.93 0.18 115.31 119.33 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 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2cwd h LEU 12 CO 0.00 0.37 -0.83 1.23 -0.34 0.00 0.00 178.44 178.87 2cwd h GLY 13 N -0.95 0.00 -2.50 3.75 0.00 -1.92 -1.08 103.07 100.36 2cwd h GLY 13 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.03 2cwd h GLY 13 CO 0.02 0.00 -0.40 -2.01 0.00 0.00 0.00 176.54 174.15 2cwd n ASN 14 N -2.41 -4.60 0.00 0.19 4.05 -1.26 -4.50 115.26 106.73 2cwd n ASN 14 Ca 0.02 -0.08 0.00 0.00 0.45 0.00 0.00 54.58 54.97 2cwd n ASN 14 Cb 0.50 -3.65 0.00 0.00 1.23 0.00 0.00 39.78 37.85 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 -4.06 0.00 0.00 -1.44 -5.35 -1.26 -4.52 119.36 102.73 2cwd n ILE 15 Ca -0.15 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 2cwd n ILE 15 Cb 0.62 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.57 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 0.28 -0.27 0.00 3.08 -1.96 -2.55 114.38 112.97 2cwd h ARG 17 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2cwd h ARG 17 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2cwd h ARG 17 CO 0.00 0.22 0.09 0.66 -1.07 0.00 0.00 179.97 179.87 2cwd h SER 18 N 0.27 0.38 -0.39 7.04 4.64 -1.90 -0.91 113.55 122.67 2cwd h SER 18 Ca 0.08 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.16 2cwd h SER 18 Cb 0.00 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 2cwd h SER 18 CO -0.02 0.46 0.08 1.55 -0.87 0.00 0.00 176.83 178.04 2cwd h PRO 19 N 0.27 0.72 -0.60 4.77 0.13 -1.82 -2.08 132.00 133.39 2cwd h PRO 19 Ca 0.09 -0.15 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 2cwd h PRO 19 Cb 0.21 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.21 2cwd h PRO 19 CO -0.00 0.68 0.12 0.52 -0.23 0.00 0.00 178.00 179.08 2cwd h MET 20 N 0.69 0.97 -0.78 0.86 2.86 -1.05 0.36 114.93 118.84 2cwd h MET 20 Ca 0.15 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2cwd h MET 20 Cb 0.31 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 2cwd h MET 20 CO 0.00 0.90 0.42 0.00 1.06 0.00 0.00 176.91 179.30 2cwd h ALA 21 N 1.02 1.01 -0.45 6.32 0.00 -0.94 -1.27 119.26 124.94 2cwd h ALA 21 Ca 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2cwd h ALA 21 Cb 0.39 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2cwd h ALA 21 CO 0.01 0.52 0.18 1.49 0.00 0.00 0.00 179.25 181.45 2cwd h GLU 22 N 1.09 0.67 -0.69 0.00 4.81 -0.91 -0.55 114.58 119.01 2cwd h GLU 22 Ca 0.28 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 2cwd h GLU 22 Cb 0.04 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2cwd h GLU 22 CO -0.04 0.61 0.44 0.78 -0.73 0.00 0.00 179.01 180.07 2cwd h GLY 23 N 0.59 0.98 0.88 1.92 0.00 -0.44 -0.24 103.07 106.76 2cwd h GLY 23 Ca 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2cwd h GLY 23 CO -0.01 0.30 0.07 -2.22 0.00 0.00 0.00 176.54 174.68 2cwd h ILE 24 N 0.87 1.19 -0.59 2.60 2.04 -1.06 -2.05 117.51 120.52 2cwd h ILE 24 Ca 0.27 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.56 2cwd h ILE 24 Cb -0.03 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 2cwd h ILE 24 CO -0.09 0.20 0.33 0.15 0.00 0.00 0.00 178.15 178.74 2cwd h PHE 25 N 0.21 0.60 -0.52 1.37 3.57 -0.54 -0.28 116.94 121.36 2cwd h PHE 25 Ca 0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2cwd h PHE 25 Cb 0.24 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2cwd h PHE 25 CO 0.00 0.31 0.30 0.00 -2.23 0.00 0.00 178.31 176.69 2cwd h ARG 26 N 0.63 0.71 -0.48 1.11 3.08 -0.92 0.03 114.38 118.54 2cwd h ARG 26 Ca 0.26 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2cwd h ARG 26 Cb 0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2cwd h ARG 26 CO -0.15 0.54 0.31 -0.22 -1.07 0.00 0.00 179.97 179.38 2cwd h LYS 27 N 0.69 0.64 -0.42 0.04 3.64 -0.72 -2.39 116.57 118.05 2cwd h LYS 27 Ca 0.18 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2cwd h LYS 27 Cb 0.02 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2cwd h LYS 27 CO -0.03 0.43 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.43 2cwd h LEU 28 N 0.65 0.71 -0.16 5.20 3.38 -0.68 -2.46 115.31 121.94 2cwd h LEU 28 Ca 0.18 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2cwd h LEU 28 Cb -0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2cwd h LEU 28 CO -0.04 0.83 0.10 -0.07 0.09 0.00 0.00 178.44 179.36 2cwd h LEU 29 N 0.67 0.19 -0.46 1.67 3.38 -0.70 -0.73 115.31 119.32 2cwd h LEU 29 Ca 0.12 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2cwd h LEU 29 Cb 0.53 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 2cwd h LEU 29 CO 0.03 0.16 0.18 0.11 0.09 0.00 0.00 178.44 179.01 2cwd h LYS 30 N 0.21 0.36 -0.32 1.13 1.57 -1.30 0.16 116.57 118.37 2cwd h LYS 30 Ca 0.06 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 2cwd h LYS 30 Cb -0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 2cwd h LYS 30 CO -0.01 0.24 -0.36 0.93 -0.57 0.00 0.00 179.45 179.68 2cwd h GLU 31 N 0.37 0.81 -0.00 3.15 5.08 -1.21 -2.58 114.58 120.20 2cwd h GLU 31 Ca 0.22 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2cwd h GLU 31 Cb 0.19 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2cwd h GLU 31 CO -0.20 1.07 -0.01 0.54 -1.00 0.00 0.00 179.01 179.41 2cwd n ARG 32 N -4.16 0.59 -3.14 2.33 1.74 -0.30 -4.91 116.66 108.80 2cwd n ARG 32 Ca -0.03 -0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 56.89 2cwd n ARG 32 Cb 0.52 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.53 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 1.22 -0.19 0.07 -0.13 0.00 -0.30 -4.95 105.19 100.91 2cwd n GLY 33 Ca 0.17 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.51 2.09 0.30 0.99 4.77 0.40 -4.78 117.00 117.26 2cwd n LEU 34 Ca -0.21 -2.63 0.18 0.00 -0.03 0.00 0.00 56.01 53.32 2cwd n LEU 34 Cb 0.63 -0.28 0.90 0.00 -2.33 0.00 0.00 43.42 42.33 2cwd n LEU 34 CO 0.48 0.62 1.06 -0.33 -1.33 0.00 0.00 177.39 177.89 2cwd h GLU 35 N 0.00 0.00 -0.15 3.23 5.08 -1.89 -0.84 114.58 120.02 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 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2cwd h GLU 35 CO 0.00 0.04 0.00 -0.40 -1.00 0.00 0.00 179.01 177.65 2cwd n ASP 36 N -3.30 2.12 -0.00 1.42 5.75 -1.26 -3.99 116.55 117.29 2cwd n ASP 36 Ca -0.02 -1.74 0.04 0.00 -0.01 0.00 0.00 54.79 53.06 2cwd n ASP 36 Cb 0.19 -0.09 -0.05 0.00 -1.03 0.00 0.00 41.12 40.15 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 0.63 3.87 -4.14 0.11 1.74 -0.33 -4.76 116.66 113.78 2cwd n ARG 37 Ca 0.17 -0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 57.09 2cwd n ARG 37 Cb 0.42 -0.92 -0.13 0.00 -1.02 0.00 0.00 32.46 30.81 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 -1.86 0.66 -0.01 -1.55 0.08 -1.15 -0.74 117.98 113.41 2cwd s PHE 38 Ca 0.03 -0.31 0.07 0.00 0.12 0.00 0.00 56.93 56.84 2cwd s PHE 38 Cb 0.06 -0.40 -0.02 0.00 -0.57 0.00 0.00 43.02 42.09 2cwd s PHE 38 CO 0.34 -0.04 -0.21 -1.21 -0.10 0.00 0.00 175.22 174.00 2cwd s GLU 39 N -0.90 1.70 0.03 0.44 2.02 0.17 -4.86 118.70 117.30 2cwd s GLU 39 Ca -0.03 -0.77 -0.01 0.00 0.02 0.00 0.00 54.97 54.17 2cwd s GLU 39 Cb -0.06 -1.65 -0.03 0.00 0.10 0.00 0.00 34.13 32.49 2cwd s GLU 39 CO 0.00 0.45 -0.02 0.54 0.02 0.00 0.00 175.26 176.26 2cwd s VAL 40 N -0.52 0.15 0.28 2.63 0.11 -1.26 -0.12 120.40 121.67 2cwd s VAL 40 Ca 0.08 -1.23 -0.20 0.00 -2.93 0.00 0.00 61.98 57.70 2cwd s VAL 40 Cb -0.08 -0.75 0.04 0.00 -1.53 0.00 0.00 36.38 34.06 2cwd s VAL 40 CO -0.01 -0.68 0.81 -0.62 -3.33 0.00 0.00 175.10 171.28 2cwd s ASP 41 N -2.02 -0.14 0.04 3.54 2.15 -0.77 -4.98 116.67 114.49 2cwd s ASP 41 Ca -0.07 -0.73 0.01 0.00 0.43 0.00 0.00 52.55 52.19 2cwd s ASP 41 Cb -0.03 0.70 -0.02 0.00 -0.30 0.00 0.00 42.92 43.27 2cwd s ASP 41 CO -0.04 -1.33 -0.06 -0.94 -0.17 0.00 0.00 175.17 172.62 2cwd s SER 42 N -3.01 0.67 0.13 -0.34 1.04 -1.26 -1.46 113.70 109.47 2cwd s SER 42 Ca 0.13 -0.55 -0.16 0.00 0.48 0.00 0.00 55.95 55.85 2cwd s SER 42 Cb -0.05 0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.17 2cwd s SER 42 CO 0.07 -0.24 0.42 0.00 0.98 0.00 0.00 173.24 174.47 2cwd s ALA 43 N -1.48 -0.95 0.17 5.32 0.00 -0.34 -4.68 121.76 119.80 2cwd s ALA 43 Ca -0.11 -0.04 0.09 0.00 0.00 0.00 0.00 51.96 51.89 2cwd s ALA 43 Cb -0.09 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 2cwd s ALA 43 CO -0.00 -0.66 -0.12 0.20 0.00 0.00 0.00 175.76 175.18 2cwd s GLY 44 N -2.81 1.73 0.46 0.00 0.00 0.54 -2.80 107.32 104.44 2cwd s GLY 44 Ca 0.03 -1.46 0.26 0.00 0.00 0.00 0.00 44.72 43.55 2cwd s GLY 44 CO -0.11 -1.48 1.85 -0.91 0.00 0.00 0.00 173.10 172.45 2cwd h THR 45 N 2.93 0.46 -1.31 0.90 1.35 -0.42 0.21 112.91 117.03 2cwd h THR 45 Ca -0.47 -1.01 -0.50 0.00 -0.55 0.00 0.00 66.41 63.87 2cwd h THR 45 Cb 1.20 1.72 -0.03 0.00 -1.73 0.00 0.00 68.15 69.31 2cwd h THR 45 CO 0.52 0.18 -0.34 -0.83 -0.25 0.00 0.00 175.52 174.80 2cwd s GLY 46 N -4.26 2.14 -0.03 5.82 0.00 -0.46 -4.74 107.32 105.78 2cwd s GLY 46 Ca 0.01 -1.80 0.07 0.00 0.00 0.00 0.00 44.72 42.99 2cwd s GLY 46 CO 0.62 -1.73 1.14 0.00 0.00 0.00 0.00 173.10 173.13 2cwd n ALA 47 N -1.65 2.17 -0.14 3.20 0.00 -1.26 -4.40 120.51 118.44 2cwd n ALA 47 Ca 0.04 -1.35 0.02 0.00 0.00 0.00 0.00 53.44 52.16 2cwd n ALA 47 Cb 0.62 -0.25 0.32 0.00 0.00 0.00 0.00 19.45 20.14 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 0.82 0.78 -0.50 0.00 2.91 -1.91 -3.00 115.95 115.04 2cwd h TRP 48 Ca 0.00 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2cwd h TRP 48 Cb 0.71 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.10 2cwd h TRP 48 CO 0.12 0.48 0.00 0.72 -1.03 0.00 0.00 178.44 178.73 2cwd n HIS 49 N -4.45 1.32 -1.65 2.65 8.25 -1.26 -5.02 115.22 115.06 2cwd n HIS 49 Ca 0.07 -0.68 -0.48 0.00 -0.26 0.00 0.00 57.72 56.37 2cwd n HIS 49 Cb 0.07 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 30.85 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 0.56 0.03 -0.08 1.59 0.31 -1.14 -1.76 118.33 117.84 2cwd n VAL 50 Ca 0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 2cwd n VAL 50 Cb 0.88 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 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 3.20 1.52 3.92 2.92 0.00 0.14 -4.97 105.19 111.92 2cwd n GLY 51 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.45 3.33 0.82 1.61 2.02 -0.72 -4.70 118.70 120.61 2cwd s GLU 52 Ca 0.00 -0.03 -0.10 0.00 0.02 0.00 0.00 54.97 54.86 2cwd s GLU 52 Cb 0.00 -2.42 0.13 0.00 0.10 0.00 0.00 34.13 31.93 2cwd s GLU 52 CO 0.00 -0.26 1.16 -1.25 0.02 0.00 0.00 175.26 174.93 2cwd s PRO 53 N -4.70 1.49 0.89 0.39 0.04 -1.26 -0.39 135.00 131.46 2cwd s PRO 53 Ca 0.48 -0.36 -0.11 0.00 0.04 0.00 0.00 61.00 61.05 2cwd s PRO 53 Cb -0.10 -2.03 0.13 0.00 0.04 0.00 0.00 34.50 32.54 2cwd s PRO 53 CO 0.43 -1.78 1.09 0.00 0.04 0.00 0.00 177.00 176.77 2cwd s MET 54 N -5.54 1.30 0.39 4.56 0.23 -1.26 -4.78 119.30 114.21 2cwd s MET 54 Ca 0.67 0.95 -0.26 0.00 -1.03 0.00 0.00 55.69 56.01 2cwd s MET 54 Cb -0.07 -1.80 -0.11 0.00 -1.53 0.00 0.00 34.83 31.31 2cwd s MET 54 CO 0.49 -2.24 1.23 -3.47 -2.03 0.00 0.00 175.02 168.99 2cwd n ASP 55 N -3.90 2.37 -0.11 -1.18 2.03 0.25 -4.78 116.55 111.22 2cwd n ASP 55 Ca 0.08 1.13 0.13 0.00 0.52 0.00 0.00 54.79 56.64 2cwd n ASP 55 Cb 0.54 -1.47 0.49 0.00 -0.72 0.00 0.00 41.12 39.97 2cwd n ASP 55 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2cwd h PRO 56 N 2.13 0.42 -0.18 -0.67 0.11 -1.92 -1.13 132.00 130.75 2cwd h PRO 56 Ca -0.46 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 2cwd h PRO 56 Cb 1.30 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2cwd h PRO 56 CO 0.60 0.28 -0.56 0.00 -0.21 0.00 0.00 178.00 178.11 2cwd h ARG 57 N 0.43 0.56 -0.53 1.05 3.08 -1.95 -1.42 114.38 115.60 2cwd h ARG 57 Ca 0.30 -0.36 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 2cwd h ARG 57 Cb 0.61 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 2cwd h ARG 57 CO -0.09 0.97 -0.02 0.00 -1.07 0.00 0.00 179.97 179.76 2cwd h ALA 58 N 0.95 0.71 -0.64 0.04 0.00 -1.62 -2.07 119.26 116.63 2cwd h ALA 58 Ca 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2cwd h ALA 58 Cb 1.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2cwd h ALA 58 CO 0.11 0.55 0.35 -0.09 0.00 0.00 0.00 179.25 180.17 2cwd h ARG 59 N 0.82 0.89 -0.41 0.00 2.43 -1.08 -1.24 114.38 115.80 2cwd h ARG 59 Ca 0.15 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2cwd h ARG 59 Cb 0.56 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2cwd h ARG 59 CO 0.03 0.68 0.22 -0.09 -1.51 0.00 0.00 179.97 179.30 2cwd h ARG 60 N 0.87 0.57 -0.40 0.20 9.65 -0.97 -0.40 114.38 123.90 2cwd h ARG 60 Ca 0.23 -0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 58.96 2cwd h ARG 60 Cb 0.04 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 2cwd h ARG 60 CO -0.04 0.46 -0.06 0.28 2.80 0.00 0.00 179.97 183.42 2cwd h VAL 61 N 0.52 1.27 -0.86 0.20 2.07 -1.22 -0.28 116.25 117.96 2cwd h VAL 61 Ca 0.14 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 2cwd h VAL 61 Cb 0.06 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2cwd h VAL 61 CO -0.02 0.38 0.46 -0.07 0.02 0.00 0.00 177.57 178.34 2cwd h LEU 62 N 0.57 1.07 -0.61 2.57 3.38 -1.05 -1.74 115.31 119.50 2cwd h LEU 62 Ca 0.11 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2cwd h LEU 62 Cb 0.57 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2cwd h LEU 62 CO 0.03 0.86 -0.06 -0.33 0.09 0.00 0.00 178.44 179.03 2cwd h GLU 63 N 1.20 1.04 -0.79 1.13 5.08 -0.79 0.47 114.58 121.92 2cwd h GLU 63 Ca 0.30 -0.36 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2cwd h GLU 63 Cb 0.03 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 2cwd h GLU 63 CO -0.05 1.05 0.52 0.93 -1.00 0.00 0.00 179.01 180.46 2cwd h GLU 64 N 0.93 0.95 -0.02 2.33 5.08 -0.43 -2.18 114.58 121.25 2cwd h GLU 64 Ca 0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2cwd h GLU 64 Cb 0.62 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2cwd h GLU 64 CO 0.04 0.63 -0.01 0.39 -1.00 0.00 0.00 179.01 179.06 2cwd n GLU 65 N -4.45 1.97 -2.54 2.33 -0.58 -0.71 -4.97 120.64 111.69 2cwd n GLU 65 Ca 0.10 -1.43 -0.12 0.00 -0.42 0.00 0.00 57.16 55.29 2cwd n GLU 65 Cb 0.11 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 29.52 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 1.27 -0.03 0.17 0.62 0.00 0.55 -4.93 105.19 102.84 2cwd n GLY 66 Ca 0.16 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.41 2.35 -1.78 4.61 0.00 0.13 -4.92 120.51 118.49 2cwd n ALA 67 Ca -0.09 -2.59 -0.32 0.00 0.00 0.00 0.00 53.44 50.44 2cwd n ALA 67 Cb 0.58 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.87 3.27 0.05 0.00 5.04 -1.20 -4.26 117.35 117.38 2cwd s TYR 68 Ca 0.33 1.50 -0.27 0.00 -2.44 0.00 0.00 57.07 56.19 2cwd s TYR 68 Cb 0.29 -2.88 0.07 0.00 0.35 0.00 0.00 41.96 39.78 2cwd s TYR 68 CO 0.04 -0.61 0.63 -0.59 -1.34 0.00 0.00 175.55 173.68 2cwd s PHE 69 N -2.50 -0.58 -1.04 4.97 -0.12 -1.26 -5.04 117.98 112.42 2cwd s PHE 69 Ca 0.61 0.72 -0.22 0.00 -0.05 0.00 0.00 56.93 57.99 2cwd s PHE 69 Cb -0.12 0.46 -0.11 0.00 -0.63 0.00 0.00 43.02 42.62 2cwd s PHE 69 CO 0.31 -0.71 1.92 -0.35 -0.05 0.00 0.00 175.22 176.34 2cwd n PRO 70 N 0.32 1.66 -2.62 1.99 -0.04 -1.26 -4.96 135.00 130.09 2cwd n PRO 70 Ca -0.18 -2.28 -0.37 0.00 -0.04 0.00 0.00 63.50 60.64 2cwd n PRO 70 Cb 0.61 -3.41 -0.05 0.00 -0.04 0.00 0.00 33.50 30.61 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 8.34 3.41 -0.10 0.54 2.46 -1.26 -5.06 115.29 123.62 2cwd s HIS 71 Ca 0.63 1.69 -0.00 0.00 0.47 0.00 0.00 55.06 57.85 2cwd s HIS 71 Cb 0.05 -3.07 0.02 0.00 -0.13 0.00 0.00 32.58 29.46 2cwd s HIS 71 CO 0.13 -0.36 -0.08 0.08 -2.47 0.00 0.00 174.74 172.04 2cwd s VAL 72 N -1.63 0.99 0.33 0.89 1.01 -1.26 -4.23 120.40 116.50 2cwd s VAL 72 Ca 0.55 -0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 2cwd s VAL 72 Cb -0.21 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.07 2cwd s VAL 72 CO 0.27 0.36 1.23 0.00 0.00 0.00 0.00 175.10 176.95 2cwd s ALA 73 N 1.56 3.41 0.14 5.51 0.00 0.48 -4.88 121.76 127.98 2cwd s ALA 73 Ca 0.02 1.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.97 2cwd s ALA 73 Cb -0.13 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.58 2cwd s ALA 73 CO -0.06 -0.50 0.33 -0.98 0.00 0.00 0.00 175.76 174.55 2cwd s ARG 74 N -1.80 1.11 -0.14 0.00 1.70 -1.26 -0.68 118.95 117.88 2cwd s ARG 74 Ca 0.49 -0.96 -0.11 0.00 -0.47 0.00 0.00 55.73 54.68 2cwd s ARG 74 Cb -0.36 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.39 2cwd s ARG 74 CO 0.47 -0.42 0.22 0.50 -1.08 0.00 0.00 175.30 174.99 2cwd s ARG 75 N -3.89 3.98 0.22 3.89 3.52 -1.26 -0.34 118.95 125.07 2cwd s ARG 75 Ca 0.10 -0.02 -0.31 0.00 -0.13 0.00 0.00 55.73 55.36 2cwd s ARG 75 Cb 0.02 -3.34 -0.14 0.00 -1.56 0.00 0.00 34.95 29.93 2cwd s ARG 75 CO -0.06 0.45 1.26 -0.11 -0.81 0.00 0.00 175.30 176.04 2cwd n LEU 76 N 2.94 2.33 -4.59 -0.88 7.94 0.74 -4.81 117.00 120.67 2cwd n LEU 76 Ca -0.15 1.15 -0.27 0.00 -1.11 0.00 0.00 56.01 55.63 2cwd n LEU 76 Cb 0.53 -1.33 -0.10 0.00 0.53 0.00 0.00 43.42 43.05 2cwd n LEU 76 CO 0.36 -0.92 -0.28 0.42 -1.11 0.00 0.00 177.39 175.87 2cwd s THR 77 N -0.25 1.64 0.36 1.96 -4.23 -1.26 -4.97 115.64 108.90 2cwd s THR 77 Ca 0.69 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.24 2cwd s THR 77 Cb -0.74 -2.82 0.23 0.00 1.34 0.00 0.00 72.50 70.51 2cwd s THR 77 CO 0.52 0.00 1.98 -0.09 -0.54 0.00 0.00 174.62 176.49 2cwd h ARG 78 N 1.81 0.65 -0.53 3.99 2.43 -1.99 -2.13 114.38 118.61 2cwd h ARG 78 Ca -0.43 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 2cwd h ARG 78 Cb 1.25 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 2cwd h ARG 78 CO 0.76 0.50 0.11 1.49 -1.51 0.00 0.00 179.97 181.32 2cwd h GLU 79 N 0.66 0.82 0.01 0.20 4.81 -2.00 -2.74 114.58 116.34 2cwd h GLU 79 Ca 0.17 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2cwd h GLU 79 Cb 0.05 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2cwd h GLU 79 CO -0.02 0.75 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.55 2cwd h ASP 80 N 0.78 -0.04 -0.74 1.04 3.32 -1.79 -0.43 116.42 118.56 2cwd h ASP 80 Ca 0.17 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.32 2cwd h ASP 80 Cb 0.32 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 2cwd h ASP 80 CO 0.00 -0.02 0.48 0.58 -1.72 0.00 0.00 179.24 178.56 2cwd h VAL 81 N -0.03 0.94 -0.04 -1.35 2.07 -1.40 -1.35 116.25 115.09 2cwd h VAL 81 Ca 0.00 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 2cwd h VAL 81 Cb 0.04 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2cwd h VAL 81 CO -0.01 0.12 -0.39 -0.07 0.02 0.00 0.00 177.57 177.24 2cwd h LEU 82 N 0.64 0.40 -0.18 2.57 4.07 -1.16 -3.38 115.31 118.27 2cwd h LEU 82 Ca 0.34 -0.71 -0.22 0.00 0.08 0.00 0.00 57.88 57.37 2cwd h LEU 82 Cb 0.47 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 2cwd h LEU 82 CO -0.12 1.05 -0.95 0.00 -1.08 0.00 0.00 178.44 177.34 2cwd h ALA 83 N 0.36 0.41 -2.57 1.53 0.00 -0.75 -3.46 119.26 114.78 2cwd h ALA 83 Ca -0.04 -0.75 -0.53 0.00 0.00 0.00 0.00 54.91 53.60 2cwd h ALA 83 Cb 1.08 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2cwd h ALA 83 CO 0.08 0.91 0.09 0.71 0.00 0.00 0.00 179.25 181.04 2cwd s TYR 84 N -3.13 3.69 0.00 0.00 2.02 -0.54 -4.88 117.35 114.52 2cwd s TYR 84 Ca -0.04 1.39 -0.06 0.00 -0.37 0.00 0.00 57.07 57.99 2cwd s TYR 84 Cb 0.09 -2.61 -0.29 0.00 -0.40 0.00 0.00 41.96 38.75 2cwd s TYR 84 CO 0.85 0.38 0.86 -0.44 -1.57 0.00 0.00 175.55 175.62 2cwd h ASP 85 N 3.61 0.48 -3.25 2.29 3.32 -1.61 -3.45 116.42 117.80 2cwd h ASP 85 Ca -0.48 -0.65 -0.60 0.00 0.02 0.00 0.00 57.03 55.32 2cwd h ASP 85 Cb 1.20 -0.16 -0.35 0.00 0.22 0.00 0.00 39.33 40.24 2cwd h ASP 85 CO 0.65 1.53 -0.84 -1.00 -1.72 0.00 0.00 179.24 177.87 2cwd s HIS 86 N -2.61 2.09 -0.34 4.55 3.76 -0.80 -4.80 115.29 117.13 2cwd s HIS 86 Ca -0.10 -1.00 0.02 0.00 -0.15 0.00 0.00 55.06 53.82 2cwd s HIS 86 Cb 0.06 -1.49 0.09 0.00 1.11 0.00 0.00 32.58 32.35 2cwd s HIS 86 CO 0.87 -0.50 0.06 0.42 -0.85 0.00 0.00 174.74 174.73 2cwd s ILE 87 N 0.98 2.59 -0.38 0.60 1.01 -0.55 -0.57 121.20 124.87 2cwd s ILE 87 Ca -0.06 -2.09 -0.13 0.00 0.00 0.00 0.00 60.65 58.37 2cwd s ILE 87 Cb -0.15 -2.78 0.02 0.00 0.01 0.00 0.00 42.46 39.56 2cwd s ILE 87 CO -0.02 -0.50 0.25 -0.76 0.00 0.00 0.00 174.94 173.91 2cwd s LEU 88 N 1.02 4.85 0.34 2.97 1.43 -0.09 -1.26 118.68 127.94 2cwd s LEU 88 Ca 0.06 -0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 2cwd s LEU 88 Cb -0.20 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 2cwd s LEU 88 CO -0.06 -0.40 0.56 0.68 0.23 0.00 0.00 176.35 177.37 2cwd s VAL 89 N 1.62 5.08 -0.10 -1.59 -7.23 -0.33 -1.28 120.40 116.57 2cwd s VAL 89 Ca 0.04 -0.30 -0.26 0.00 -1.81 0.00 0.00 61.98 59.64 2cwd s VAL 89 Cb -0.19 -3.83 -0.27 0.00 0.56 0.00 0.00 36.38 32.65 2cwd s VAL 89 CO 0.08 -0.53 0.84 0.24 -0.31 0.00 0.00 175.10 175.43 2cwd h MET 90 N 0.93 0.10 -4.90 4.82 0.00 -1.78 -0.00 114.93 114.11 2cwd h MET 90 Ca -0.49 -0.17 -0.42 0.00 0.00 0.00 0.00 59.70 58.62 2cwd h MET 90 Cb 1.21 0.06 -0.14 0.00 0.00 0.00 0.00 31.60 32.73 2cwd h MET 90 CO 0.63 1.05 -0.56 0.16 0.00 0.00 0.00 176.91 178.19 2cwd s ASP 91 N -6.44 1.63 0.51 1.22 1.47 -1.26 -0.77 116.67 113.03 2cwd s ASP 91 Ca -0.17 -1.56 0.21 0.00 1.18 0.00 0.00 52.55 52.21 2cwd s ASP 91 Cb -0.01 0.37 1.32 0.00 -0.34 0.00 0.00 42.92 44.26 2cwd s ASP 91 CO 0.74 -0.88 2.09 0.03 0.68 0.00 0.00 175.17 177.83 2cwd h ARG 92 N 2.19 0.00 -0.49 2.11 3.08 -1.94 -1.83 114.38 117.50 2cwd h ARG 92 Ca -0.34 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.64 2cwd h ARG 92 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 2cwd h ARG 92 CO 0.53 0.10 0.03 0.93 -1.07 0.00 0.00 179.97 180.49 2cwd h GLU 93 N 0.00 0.85 -0.63 0.04 5.08 -1.99 -1.26 114.58 116.67 2cwd h GLU 93 Ca -0.00 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 2cwd h GLU 93 Cb 0.21 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2cwd h GLU 93 CO 0.01 0.87 0.31 -0.91 -1.00 0.00 0.00 179.01 178.30 2cwd h ASN 94 N 0.71 0.82 -0.14 1.42 -0.26 -1.76 -1.55 115.58 114.82 2cwd h ASN 94 Ca 0.14 -0.13 0.01 0.00 -0.56 0.00 0.00 56.30 55.76 2cwd h ASN 94 Cb 0.48 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.52 2cwd h ASN 94 CO 0.02 0.71 0.07 0.25 -1.06 0.00 0.00 177.43 177.43 2cwd h LEU 95 N 0.86 0.11 -0.96 1.61 5.85 -1.09 -1.06 115.31 120.63 2cwd h LEU 95 Ca 0.22 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 2cwd h LEU 95 Cb 0.11 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2cwd h LEU 95 CO -0.03 0.09 0.36 -0.08 -0.34 0.00 0.00 178.44 178.44 2cwd h GLU 96 N 0.16 1.10 -0.42 1.25 4.81 -1.08 -1.46 114.58 118.94 2cwd h GLU 96 Ca 0.06 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 2cwd h GLU 96 Cb 0.00 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2cwd h GLU 96 CO -0.04 0.86 -0.18 1.49 -0.73 0.00 0.00 179.01 180.41 2cwd h GLU 97 N 1.09 0.87 -0.27 1.92 4.57 -1.00 0.11 114.58 121.87 2cwd h GLU 97 Ca 0.26 -0.37 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 2cwd h GLU 97 Cb 0.12 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2cwd h GLU 97 CO -0.03 1.01 0.09 0.28 -1.18 0.00 0.00 179.01 179.18 2cwd h VAL 98 N 0.69 1.20 0.00 0.32 2.07 -0.97 -2.48 116.25 117.08 2cwd h VAL 98 Ca 0.10 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 2cwd h VAL 98 Cb 0.74 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2cwd h VAL 98 CO 0.06 0.21 -0.34 -0.07 0.02 0.00 0.00 177.57 177.44 2cwd h LEU 99 N 0.28 0.00 -0.12 2.57 3.38 -1.17 0.32 115.31 120.57 2cwd h LEU 99 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2cwd h LEU 99 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2cwd h LEU 99 CO -0.00 0.34 -0.01 -0.09 0.09 0.00 0.00 178.44 178.77 2cwd h ARG 100 N 0.00 0.21 0.18 1.13 2.43 -0.55 -2.94 114.38 114.85 2cwd h ARG 100 Ca -0.00 -0.07 -0.32 0.00 -0.81 0.00 0.00 59.98 58.78 2cwd h ARG 100 Cb 0.67 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.22 2cwd h ARG 100 CO 0.04 0.48 -1.48 -0.09 -1.51 0.00 0.00 179.97 177.41 2cwd h ARG 101 N -0.08 0.39 -2.33 0.20 2.43 -1.34 -3.40 114.38 110.25 2cwd h ARG 101 Ca 0.03 -0.67 -0.59 0.00 -0.81 0.00 0.00 59.98 57.94 2cwd h ARG 101 Cb 0.39 0.25 -0.41 0.00 -0.42 0.00 0.00 29.97 29.78 2cwd h ARG 101 CO 0.01 1.30 -0.74 1.19 -1.51 0.00 0.00 179.97 180.22 2cwd n PHE 102 N -3.59 2.29 0.08 2.20 3.72 0.11 -4.90 117.46 117.36 2cwd n PHE 102 Ca -0.16 -3.98 0.21 0.00 -0.05 0.00 0.00 57.45 53.47 2cwd n PHE 102 Cb 1.07 -0.46 0.73 0.00 -0.94 0.00 0.00 39.48 39.89 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 4.48 0.00 0.00 -1.08 0.13 -1.70 -1.07 132.00 132.76 2cwd h PRO 103 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2cwd h PRO 103 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 2cwd h PRO 103 CO 0.69 0.00 -0.02 1.05 -0.23 0.00 0.00 178.00 179.49 2cwd h GLU 104 N 0.00 0.00 -0.96 0.86 9.09 -1.90 -0.57 114.58 121.10 2cwd h GLU 104 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.62 2cwd h GLU 104 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.25 2cwd h GLU 104 CO -0.00 0.02 0.00 0.00 0.05 0.00 0.00 179.01 179.07 2cwd n ALA 105 N -2.15 2.61 -0.38 1.06 0.00 -0.41 -4.64 120.51 116.61 2cwd n ALA 105 Ca -0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 2cwd n ALA 105 Cb 0.13 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.05 -0.29 -0.55 0.00 1.74 -0.22 -1.43 116.66 115.96 2cwd n ARG 106 Ca 0.02 1.46 0.05 0.00 -0.77 0.00 0.00 57.85 58.62 2cwd n ARG 106 Cb 0.32 -2.16 0.25 0.00 -1.02 0.00 0.00 32.46 29.86 2cwd n ARG 106 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cwd n GLY 107 N -1.38 4.15 0.01 -0.13 0.00 -1.26 -4.35 105.19 102.22 2cwd n GLY 107 Ca 0.07 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.59 0.43 -3.63 1.61 5.02 -0.51 -5.00 118.16 115.49 2cwd n LYS 108 Ca 0.25 -0.06 -0.37 0.00 -2.02 0.00 0.00 58.31 56.11 2cwd n LYS 108 Cb 0.96 -1.17 -0.07 0.00 -0.02 0.00 0.00 35.03 34.73 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 -2.48 5.29 0.19 -0.18 0.11 -1.04 -1.48 120.40 120.82 2cwd s VAL 109 Ca -0.03 0.52 -0.23 0.00 -2.93 0.00 0.00 61.98 59.31 2cwd s VAL 109 Cb 0.04 -3.58 0.05 0.00 -1.53 0.00 0.00 36.38 31.36 2cwd s VAL 109 CO 0.30 0.51 0.70 0.00 -3.33 0.00 0.00 175.10 173.28 2cwd s ARG 110 N -0.37 1.44 0.35 1.54 1.70 -0.39 -4.99 118.95 118.22 2cwd s ARG 110 Ca 0.18 -0.67 -0.28 0.00 -0.47 0.00 0.00 55.73 54.48 2cwd s ARG 110 Cb -0.14 0.57 -0.11 0.00 -0.57 0.00 0.00 34.95 34.71 2cwd s ARG 110 CO 0.06 -0.65 1.37 -0.51 -1.08 0.00 0.00 175.30 174.50 2cwd s LEU 111 N -2.81 4.39 0.44 -1.89 1.43 -1.26 -1.19 118.68 117.79 2cwd s LEU 111 Ca 0.06 2.81 0.14 0.00 -1.03 0.00 0.00 54.13 56.11 2cwd s LEU 111 Cb -0.03 -3.66 0.97 0.00 0.03 0.00 0.00 46.19 43.51 2cwd s LEU 111 CO -0.04 -0.65 1.98 1.62 0.23 0.00 0.00 176.35 179.49 2cwd h VAL 112 N 3.02 1.14 0.00 -1.59 3.04 -1.26 -2.11 116.25 118.49 2cwd h VAL 112 Ca -0.50 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 64.55 2cwd h VAL 112 Cb 1.23 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 2cwd h VAL 112 CO 0.65 0.19 0.00 0.18 -1.01 0.00 0.00 177.57 177.58 2cwd n LEU 113 N -4.32 0.00 0.30 3.16 4.77 -1.26 -2.80 117.00 116.86 2cwd n LEU 113 Ca -0.02 0.13 0.18 0.00 -0.03 0.00 0.00 56.01 56.26 2cwd n LEU 113 Cb 0.25 -0.13 0.96 0.00 -2.33 0.00 0.00 43.42 42.17 2cwd n LEU 113 CO 0.37 -0.03 1.10 -0.33 -1.33 0.00 0.00 177.39 177.16 2cwd h GLU 114 N 0.00 0.00 0.00 3.23 4.39 -1.64 0.28 114.58 120.84 2cwd h GLU 114 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2cwd h GLU 114 Cb 0.10 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2cwd h GLU 114 CO 0.00 0.03 -0.06 0.93 -1.16 0.00 0.00 179.01 178.75 2cwd h GLU 115 N 0.00 0.00 -0.21 2.33 4.39 -1.74 -1.45 114.58 117.90 2cwd h GLU 115 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2cwd h GLU 115 Cb 0.15 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 2cwd h GLU 115 CO 0.00 0.06 -0.14 1.28 -1.16 0.00 0.00 179.01 179.06 2cwd n LEU 116 N -3.68 3.54 0.00 1.33 4.77 0.80 -4.85 117.00 118.91 2cwd n LEU 116 Ca -0.02 -3.56 0.00 0.00 -0.03 0.00 0.00 56.01 52.40 2cwd n LEU 116 Cb 0.16 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2cwd n LEU 116 CO 0.28 1.10 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 2cwd n GLY 117 N -1.06 0.71 0.00 -0.72 0.00 -0.54 -4.97 105.19 98.61 2cwd n GLY 117 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.05 3.04 0.00 -0.02 0.00 -0.17 -4.90 105.19 101.10 2cwd n GLY 118 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.19 2.66 3.31 -0.02 0.00 -1.26 -4.64 105.19 104.04 2cwd n GLY 119 Ca 0.00 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.96 1.53 -0.33 1.61 2.02 -1.26 -4.39 118.70 115.91 2cwd s GLU 120 Ca 0.00 -1.09 -0.19 0.00 0.02 0.00 0.00 54.97 53.71 2cwd s GLU 120 Cb 0.00 -1.74 -0.01 0.00 0.10 0.00 0.00 34.13 32.48 2cwd s GLU 120 CO 0.00 0.44 0.57 0.08 0.02 0.00 0.00 175.26 176.37 2cwd s VAL 121 N -0.87 4.97 0.28 2.63 1.01 0.05 -4.99 120.40 123.47 2cwd s VAL 121 Ca 0.10 0.55 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 2cwd s VAL 121 Cb -0.10 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 2cwd s VAL 121 CO 0.03 -0.20 1.49 0.00 0.00 0.00 0.00 175.10 176.42 2cwd s GLN 122 N 2.51 4.21 -0.01 2.72 0.00 -1.26 -4.49 119.66 123.34 2cwd s GLN 122 Ca 0.22 2.41 -0.30 0.00 -0.00 0.00 0.00 55.36 57.69 2cwd s GLN 122 Cb -0.15 -3.07 -0.06 0.00 0.00 0.00 0.00 33.01 29.73 2cwd s GLN 122 CO 0.13 -0.49 1.56 0.34 0.00 0.00 0.00 175.29 176.83 2cwd s ASP 123 N 0.32 6.72 0.00 12.60 -1.08 -1.26 -4.91 116.67 129.06 2cwd s ASP 123 Ca 0.60 2.23 0.25 0.00 -0.52 0.00 0.00 52.55 55.10 2cwd s ASP 123 Cb -0.44 -2.55 0.41 0.00 -1.46 0.00 0.00 42.92 38.88 2cwd s ASP 123 CO 0.47 -0.85 1.37 -0.81 0.52 0.00 0.00 175.17 175.87 2cwd n PRO 124 N 6.20 1.77 -0.33 4.34 -0.04 -1.26 -4.62 135.00 141.07 2cwd n PRO 124 Ca 0.15 -1.35 0.22 0.00 -0.04 0.00 0.00 63.50 62.48 2cwd n PRO 124 Cb 0.43 -1.47 0.44 0.00 -0.04 0.00 0.00 33.50 32.85 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 3.30 0.83 -0.46 0.54 3.20 -1.97 0.25 116.97 122.66 2cwd h TYR 125 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2cwd h TYR 125 Cb 0.78 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2cwd h TYR 125 CO 0.00 -0.18 0.00 0.66 -1.64 0.00 0.00 178.16 177.00 2cwd n TYR 126 N -5.08 0.75 -2.33 -3.82 4.02 -1.26 -4.92 117.16 104.51 2cwd n TYR 126 Ca 0.30 -0.34 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 2cwd n TYR 126 Cb 0.93 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 2cwd n TYR 126 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2cwd n GLY 127 N 1.11 3.96 1.92 2.72 0.00 0.87 -5.16 105.19 110.61 2cwd n GLY 127 Ca 0.16 -2.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 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 1.97 -0.36 1.61 5.68 -1.26 -4.99 116.55 119.21 2cwd n ASP 128 Ca 0.00 -1.98 0.06 0.00 -0.50 0.00 0.00 54.79 52.38 2cwd n ASP 128 Cb 0.00 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.21 2cwd n ASP 128 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2cwd h LEU 129 N 0.00 0.91 -1.10 -2.12 5.85 -1.96 -1.58 115.31 115.31 2cwd h LEU 129 Ca -0.18 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2cwd h LEU 129 Cb 0.65 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2cwd h LEU 129 CO 0.29 0.49 0.50 -0.33 -0.34 0.00 0.00 178.44 179.05 2cwd h GLU 130 N 0.98 1.12 -0.81 1.25 4.39 -1.99 -1.49 114.58 118.03 2cwd h GLU 130 Ca 0.48 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 2cwd h GLU 130 Cb 0.46 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 2cwd h GLU 130 CO -0.26 0.78 0.41 -0.44 -1.16 0.00 0.00 179.01 178.34 2cwd h ASP 131 N 1.14 1.03 -0.25 1.42 3.32 -1.67 -1.32 116.42 120.08 2cwd h ASP 131 Ca 0.30 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 2cwd h ASP 131 Cb -0.05 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 2cwd h ASP 131 CO -0.06 0.85 -0.11 -0.26 -1.72 0.00 0.00 179.24 177.94 2cwd h PHE 132 N 1.14 0.71 -0.21 4.55 -1.00 -1.13 -1.83 116.94 119.17 2cwd h PHE 132 Ca 0.28 -0.12 -0.13 0.00 2.81 0.00 0.00 57.97 60.82 2cwd h PHE 132 Cb 0.07 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 2cwd h PHE 132 CO 0.01 0.74 -0.40 0.00 -1.61 0.00 0.00 178.31 177.05 2cwd h ARG 133 N 0.60 0.50 -0.29 1.51 3.08 -0.49 -0.46 114.38 118.83 2cwd h ARG 133 Ca 0.11 -0.25 -0.13 0.00 0.07 0.00 0.00 59.98 59.78 2cwd h ARG 133 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2cwd h ARG 133 CO 0.03 0.81 -0.35 0.93 -1.07 0.00 0.00 179.97 180.32 2cwd h GLU 134 N 0.41 0.66 -0.48 0.04 5.08 -1.07 -1.62 114.58 117.60 2cwd h GLU 134 Ca 0.04 -0.31 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 2cwd h GLU 134 Cb 0.88 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2cwd h GLU 134 CO 0.07 0.91 -0.14 0.28 -1.00 0.00 0.00 179.01 179.14 2cwd h VAL 135 N 0.55 1.27 -0.02 3.13 2.07 -1.11 -1.82 116.25 120.32 2cwd h VAL 135 Ca 0.06 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.32 2cwd h VAL 135 Cb 0.86 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2cwd h VAL 135 CO 0.07 0.44 -0.12 0.22 0.02 0.00 0.00 177.57 178.21 2cwd h TYR 136 N 0.80 -0.29 0.00 1.57 3.20 -0.46 -1.10 116.97 120.68 2cwd h TYR 136 Ca 0.12 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 2cwd h TYR 136 Cb 0.70 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 2cwd h TYR 136 CO 0.05 -0.18 -0.47 -1.49 -1.64 0.00 0.00 178.16 174.44 2cwd h TRP 137 N -0.19 0.00 -0.29 -3.82 4.06 -1.21 0.82 115.95 115.32 2cwd h TRP 137 Ca 0.05 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.88 2cwd h TRP 137 Cb 0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.41 2cwd h TRP 137 CO -0.18 0.47 -0.27 1.15 -3.56 0.00 0.00 178.44 176.05 2cwd h THR 138 N 0.00 1.30 -0.43 1.49 2.02 -1.10 -2.01 112.91 114.17 2cwd h THR 138 Ca -0.00 -1.43 -0.10 0.00 0.77 0.00 0.00 66.41 65.65 2cwd h THR 138 Cb 0.84 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 2cwd h THR 138 CO 0.06 0.46 -0.15 -0.07 0.37 0.00 0.00 175.52 176.19 2cwd h LEU 139 N 0.44 0.81 -0.84 2.58 3.38 -0.96 -2.43 115.31 118.30 2cwd h LEU 139 Ca 0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2cwd h LEU 139 Cb 0.83 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2cwd h LEU 139 CO 0.07 0.96 0.32 -0.08 0.09 0.00 0.00 178.44 179.80 2cwd h GLU 140 N 0.72 1.18 -0.53 1.13 4.22 -0.74 0.20 114.58 120.77 2cwd h GLU 140 Ca 0.11 -0.21 -0.05 0.00 0.08 0.00 0.00 59.36 59.30 2cwd h GLU 140 Cb 0.65 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2cwd h GLU 140 CO 0.05 0.95 0.14 0.00 -2.18 0.00 0.00 179.01 177.97 2cwd h ALA 141 N 1.20 0.69 -0.27 2.92 0.00 -1.14 -1.36 119.26 121.30 2cwd h ALA 141 Ca 0.27 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2cwd h ALA 141 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2cwd h ALA 141 CO -0.02 0.37 -0.39 0.00 0.00 0.00 0.00 179.25 179.21 2cwd h ALA 142 N 1.01 0.83 0.00 0.00 0.00 -1.07 -2.70 119.26 117.34 2cwd h ALA 142 Ca 0.17 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2cwd h ALA 142 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2cwd h ALA 142 CO -0.00 0.64 -0.56 -0.07 0.00 0.00 0.00 179.25 179.26 2cwd h LEU 143 N 0.51 0.00 -0.37 0.00 4.07 -0.83 -0.94 115.31 117.74 2cwd h LEU 143 Ca 0.05 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.88 2cwd h LEU 143 Cb 0.89 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 2cwd h LEU 143 CO 0.08 0.56 -0.27 1.56 -1.08 0.00 0.00 178.44 179.29 2cwd h GLN 144 N 0.00 0.84 -0.62 1.13 1.08 -1.17 -2.06 115.11 114.32 2cwd h GLN 144 Ca -0.01 -0.40 -0.08 0.00 -1.45 0.00 0.00 58.65 56.71 2cwd h GLN 144 Cb 1.26 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.66 2cwd h GLN 144 CO 0.07 1.04 0.06 0.00 -0.95 0.00 0.00 178.83 179.06 2cwd h ALA 145 N 0.78 0.82 -0.09 3.87 0.00 -1.36 -0.99 119.26 122.30 2cwd h ALA 145 Ca 0.07 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2cwd h ALA 145 Cb 0.84 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2cwd h ALA 145 CO 0.07 0.61 -0.08 0.35 0.00 0.00 0.00 179.25 180.20 2cwd h PHE 146 N 0.95 -0.21 -0.04 0.00 3.57 -1.01 -1.46 116.94 118.74 2cwd h PHE 146 Ca 0.18 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 2cwd h PHE 146 Cb 0.48 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2cwd h PHE 146 CO 0.04 -0.13 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.56 2cwd h LEU 147 N -0.10 0.09 -0.67 0.59 3.38 -1.21 0.53 115.31 117.91 2cwd h LEU 147 Ca 0.06 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2cwd h LEU 147 Cb 0.20 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2cwd h LEU 147 CO -0.15 0.45 0.32 0.44 0.09 0.00 0.00 178.44 179.58 2cwd h ASP 148 N 0.08 0.88 0.16 -0.43 3.32 -0.66 0.88 116.42 120.65 2cwd h ASP 148 Ca 0.01 -0.13 -0.21 0.00 0.02 0.00 0.00 57.03 56.71 2cwd h ASP 148 Cb 0.67 -0.23 0.02 0.00 0.22 0.00 0.00 39.33 40.02 2cwd h ASP 148 CO 0.05 0.77 -0.93 -0.09 -1.72 0.00 0.00 179.24 177.32 2cwd h ARG 149 N 0.94 0.34 0.00 3.56 2.43 -0.81 -3.38 114.38 117.47 2cwd h ARG 149 Ca 0.23 -0.59 -0.06 0.00 -0.81 0.00 0.00 59.98 58.76 2cwd h ARG 149 Cb 0.12 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2cwd h ARG 149 CO -0.03 1.28 -1.52 0.72 -1.51 0.00 0.00 179.97 178.92 2cwd n HIS 150 N -4.06 0.57 1.74 2.20 8.25 0.18 -5.11 115.22 119.00 2cwd n HIS 150 Ca -0.14 0.17 0.15 0.00 -0.26 0.00 0.00 57.72 57.64 2cwd n HIS 150 Cb 0.87 -0.83 0.73 0.00 1.12 0.00 0.00 29.99 31.88 2cwd n HIS 150 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39