#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdm s ARG 3 N 0.00 1.50 0.00 0.00 1.70 -1.26 -4.57 118.95 116.32 2wdm s ARG 3 Ca 0.00 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 54.82 2wdm s ARG 3 Cb 0.00 -5.01 0.00 0.00 -0.57 0.00 0.00 34.95 29.37 2wdm s ARG 3 CO 0.00 -5.05 0.78 -0.89 -1.08 0.00 0.00 175.30 169.07 2wdm n ILE 4 N 8.76 0.00 -0.15 4.99 5.41 -0.50 -4.69 119.36 133.17 2wdm n ILE 4 Ca 0.43 1.28 -0.07 0.00 1.00 0.00 0.00 62.75 65.39 2wdm n ILE 4 Cb 0.46 -2.26 0.07 0.00 -0.71 0.00 0.00 39.64 37.19 2wdm n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wdm n ALA 5 N -1.39 -1.15 -0.38 -1.39 0.00 -1.24 -4.86 120.51 110.11 2wdm n ALA 5 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.00 2wdm n ALA 5 Cb 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 2wdm n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdm n GLY 6 N -0.98 -2.29 2.75 0.00 0.00 -1.26 -3.53 105.19 99.87 2wdm n GLY 6 Ca 0.03 1.07 -0.01 0.00 0.00 0.00 0.00 46.02 47.12 2wdm n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdm n VAL 7 N -5.18 0.88 -4.13 1.61 0.31 -1.26 -5.09 118.33 105.47 2wdm n VAL 7 Ca 0.03 -2.32 -0.34 0.00 -0.01 0.00 0.00 64.34 61.71 2wdm n VAL 7 Cb 0.26 1.21 -0.15 0.00 -0.91 0.00 0.00 33.84 34.25 2wdm n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2wdm s GLU 8 N -2.59 3.19 -0.44 5.55 2.02 -1.23 -5.04 118.70 120.16 2wdm s GLU 8 Ca 0.22 -0.73 0.04 0.00 0.02 0.00 0.00 54.97 54.51 2wdm s GLU 8 Cb 0.35 -2.75 0.12 0.00 0.10 0.00 0.00 34.13 31.95 2wdm s GLU 8 CO -0.07 -0.16 0.16 0.42 0.02 0.00 0.00 175.26 175.64 2wdm s ILE 9 N 1.26 2.41 1.45 -1.63 1.09 -1.26 -1.42 121.20 123.10 2wdm s ILE 9 Ca 0.03 -2.86 -0.24 0.00 -1.10 0.00 0.00 60.65 56.48 2wdm s ILE 9 Cb -0.14 -2.72 0.38 0.00 -1.06 0.00 0.00 42.46 38.92 2wdm s ILE 9 CO -0.07 -0.71 0.92 -2.16 -0.10 0.00 0.00 174.94 172.82 2wdm s PRO 10 N 0.27 -3.18 0.25 2.79 0.04 -1.26 -4.94 135.00 128.96 2wdm s PRO 10 Ca 0.14 0.05 -0.21 0.00 0.04 0.00 0.00 61.00 61.02 2wdm s PRO 10 Cb -0.23 -1.35 0.06 0.00 0.04 0.00 0.00 34.50 33.02 2wdm s PRO 10 CO -0.04 -5.02 0.91 1.03 0.04 0.00 0.00 177.00 173.92 2wdm s ARG 11 N -5.16 1.61 0.00 4.56 0.52 -1.26 -4.76 118.95 114.46 2wdm s ARG 11 Ca 0.69 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 2wdm s ARG 11 Cb -0.12 0.48 0.00 0.00 0.52 0.00 0.00 34.95 35.84 2wdm s ARG 11 CO 0.57 -0.75 0.00 -1.71 0.02 0.00 0.00 175.30 173.43 2wdm n ASN 12 N -0.99 0.00 -2.36 0.23 2.85 -1.26 -4.74 115.26 108.99 2wdm n ASN 12 Ca -0.05 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.30 2wdm n ASN 12 Cb 0.60 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.57 2wdm n ASN 12 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2wdm n LYS 13 N 0.00 0.31 -2.35 1.20 5.02 -1.26 -4.91 118.16 116.17 2wdm n LYS 13 Ca 0.00 -1.91 -0.42 0.00 -2.02 0.00 0.00 58.31 53.96 2wdm n LYS 13 Cb 0.00 1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 36.46 2wdm n LYS 13 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wdm s ARG 14 N -2.79 4.39 0.58 1.97 1.70 -1.24 -0.52 118.95 123.03 2wdm s ARG 14 Ca 0.21 1.85 0.39 0.00 -0.47 0.00 0.00 55.73 57.71 2wdm s ARG 14 Cb 0.01 -3.36 1.37 0.00 -0.57 0.00 0.00 34.95 32.40 2wdm s ARG 14 CO 0.15 -0.35 1.47 -0.39 -1.08 0.00 0.00 175.30 175.10 2wdm h VAL 15 N 4.53 0.02 -0.34 4.99 -1.51 -1.60 -1.87 116.25 120.47 2wdm h VAL 15 Ca -0.41 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 64.93 2wdm h VAL 15 Cb 1.21 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.39 2wdm h VAL 15 CO 0.84 0.00 -0.29 -2.24 -1.23 0.00 0.00 177.57 174.65 2wdm h ASP 16 N 0.00 0.85 1.14 4.19 -0.00 -1.90 -3.08 116.42 117.62 2wdm h ASP 16 Ca 0.72 -0.45 0.00 0.00 -0.00 0.00 0.00 57.03 57.30 2wdm h ASP 16 Cb 3.31 -0.24 0.00 0.00 -0.00 0.00 0.00 39.33 42.41 2wdm h ASP 16 CO -0.01 1.12 -0.09 0.52 -0.00 0.00 0.00 179.24 180.79 2wdm n VAL 17 N -4.20 0.27 -0.03 4.15 0.31 -0.71 -3.77 118.33 114.34 2wdm n VAL 17 Ca -0.03 -0.14 -0.11 0.00 -0.01 0.00 0.00 64.34 64.06 2wdm n VAL 17 Cb 0.48 -0.45 -0.05 0.00 -0.91 0.00 0.00 33.84 32.92 2wdm n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdm h ALA 18 N 2.77 0.20 0.00 3.52 0.00 -1.49 -1.40 119.26 122.86 2wdm h ALA 18 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2wdm h ALA 18 Cb 0.61 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2wdm h ALA 18 CO 0.00 -0.26 -0.03 -0.07 0.00 0.00 0.00 179.25 178.89 2wdm h LEU 19 N 0.14 0.00 -0.55 0.00 -0.00 -1.67 -0.94 115.31 112.29 2wdm h LEU 19 Ca 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.98 2wdm h LEU 19 Cb 0.09 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.70 2wdm h LEU 19 CO -0.01 0.03 0.29 0.74 -0.00 0.00 0.00 178.44 179.49 2wdm h THR 20 N 0.00 0.97 0.00 0.22 2.02 -1.41 -0.05 112.91 114.66 2wdm h THR 20 Ca -0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2wdm h THR 20 Cb 0.10 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2wdm h THR 20 CO 0.00 0.10 0.00 -1.22 0.37 0.00 0.00 175.52 174.78 2wdm n TYR 21 N -4.85 0.00 -4.60 3.16 0.53 -0.36 -4.61 117.16 106.43 2wdm n TYR 21 Ca 0.05 -0.22 -0.22 0.00 -1.02 0.00 0.00 57.90 56.49 2wdm n TYR 21 Cb 0.14 -0.16 -0.15 0.00 -1.03 0.00 0.00 39.34 38.14 2wdm n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 2wdm s ILE 22 N 0.41 1.20 -0.34 -0.72 1.01 -0.03 -4.91 121.20 117.83 2wdm s ILE 22 Ca 0.00 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.58 2wdm s ILE 22 Cb 0.00 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.45 2wdm s ILE 22 CO 0.00 0.24 1.25 -0.47 0.00 0.00 0.00 174.94 175.96 2wdm s TYR 23 N -0.52 2.76 0.00 3.97 6.14 -1.26 -2.55 117.35 125.89 2wdm s TYR 23 Ca 0.05 0.89 0.00 0.00 0.64 0.00 0.00 57.07 58.65 2wdm s TYR 23 Cb -0.07 -3.98 0.00 0.00 0.42 0.00 0.00 41.96 38.33 2wdm s TYR 23 CO 0.00 -1.50 0.00 0.41 0.64 0.00 0.00 175.55 175.10 2wdm n GLY 24 N 4.39 1.07 2.86 8.97 0.00 -1.26 -1.84 105.19 119.37 2wdm n GLY 24 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 2wdm n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdm s ILE 25 N -2.00 0.80 0.02 -0.61 1.09 -1.06 -4.98 121.20 114.46 2wdm s ILE 25 Ca 0.00 -0.19 0.00 0.00 -1.10 0.00 0.00 60.65 59.36 2wdm s ILE 25 Cb 0.00 -0.90 0.00 0.00 -1.06 0.00 0.00 42.46 40.51 2wdm s ILE 25 CO 0.00 0.30 0.01 0.61 -0.10 0.00 0.00 174.94 175.76 2wdm n GLY 26 N 5.01 3.12 0.37 6.18 0.00 -1.26 -4.29 105.19 114.32 2wdm n GLY 26 Ca -0.11 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 43.87 2wdm n GLY 26 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wdm h LYS 27 N 0.00 0.68 0.00 1.61 1.63 -1.96 -2.57 116.57 115.97 2wdm h LYS 27 Ca -0.01 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2wdm h LYS 27 Cb 0.04 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 2wdm h LYS 27 CO 0.02 0.45 0.00 0.00 -3.45 0.00 0.00 179.45 176.47 2wdm n ALA 28 N -2.41 0.00 0.00 5.00 0.00 -1.26 -1.79 120.51 120.05 2wdm n ALA 28 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2wdm n ALA 28 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2wdm n ALA 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdm n ARG 29 N -0.38 0.00 -0.01 0.00 1.74 -1.22 -0.93 116.66 115.86 2wdm n ARG 29 Ca 0.00 0.16 -0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2wdm n ARG 29 Cb 0.00 -1.82 -0.00 0.00 -1.02 0.00 0.00 32.46 29.62 2wdm n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdm h ALA 30 N 0.65 0.00 0.00 7.54 0.00 -1.34 -2.54 119.26 123.57 2wdm h ALA 30 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wdm h ALA 30 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2wdm h ALA 30 CO 0.00 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.90 2wdm n LYS 31 N -2.42 0.50 -0.07 0.00 5.02 -0.23 -2.93 118.16 118.02 2wdm n LYS 31 Ca -0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 2wdm n LYS 31 Cb 0.01 -1.10 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 2wdm n LYS 31 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2wdm n GLU 32 N -0.60 0.41 0.00 1.97 0.00 -0.10 -4.53 120.64 117.79 2wdm n GLU 32 Ca 0.02 0.17 0.06 0.00 0.00 0.00 0.00 57.16 57.42 2wdm n GLU 32 Cb 0.01 -1.22 0.33 0.00 0.00 0.00 0.00 31.44 30.57 2wdm n GLU 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wdm n ALA 33 N -4.15 1.80 0.09 4.31 0.00 -0.96 -2.08 120.51 119.52 2wdm n ALA 33 Ca -0.19 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.25 2wdm n ALA 33 Cb 0.50 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 2wdm n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wdm h LEU 34 N 0.00 0.00 0.08 0.00 3.38 -1.77 -3.13 115.31 113.87 2wdm h LEU 34 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2wdm h LEU 34 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2wdm h LEU 34 CO 0.00 0.26 -1.39 1.05 0.09 0.00 0.00 178.44 178.45 2wdm h GLU 35 N 0.00 0.17 0.00 1.13 4.11 -1.65 -1.58 114.58 116.75 2wdm h GLU 35 Ca -0.06 -0.28 0.00 0.00 0.07 0.00 0.00 59.36 59.09 2wdm h GLU 35 Cb 1.25 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2wdm h GLU 35 CO 0.02 1.03 0.00 1.63 0.07 0.00 0.00 179.01 181.76 2wdm n LYS 36 N -3.39 0.31 -0.03 1.06 4.76 -1.22 -3.31 118.16 116.35 2wdm n LYS 36 Ca -0.12 0.04 -0.02 0.00 -2.87 0.00 0.00 58.31 55.34 2wdm n LYS 36 Cb 1.02 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.64 2wdm n LYS 36 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2wdm n THR 37 N -1.32 0.41 -1.49 -0.18 -2.24 -1.18 -5.04 114.28 103.24 2wdm n THR 37 Ca 0.12 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2wdm n THR 37 Cb 0.23 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 2wdm n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdm n GLY 38 N 2.37 0.92 2.67 3.38 0.00 -0.63 -4.91 105.19 109.00 2wdm n GLY 38 Ca -0.10 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 2wdm n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdm s ILE 39 N -2.99 0.03 -0.40 -0.61 1.01 -1.02 -5.07 121.20 112.15 2wdm s ILE 39 Ca 0.00 0.12 -0.36 0.00 0.00 0.00 0.00 60.65 60.41 2wdm s ILE 39 Cb 0.00 -0.41 -0.13 0.00 0.01 0.00 0.00 42.46 41.93 2wdm s ILE 39 CO 0.00 0.02 2.21 -3.20 0.00 0.00 0.00 174.94 173.97 2wdm n ASN 40 N 5.25 1.88 -0.28 3.58 5.15 -1.26 -4.77 115.26 124.81 2wdm n ASN 40 Ca -0.05 0.40 0.04 0.00 -0.60 0.00 0.00 54.58 54.38 2wdm n ASN 40 Cb 0.49 -1.21 0.18 0.00 -0.53 0.00 0.00 39.78 38.72 2wdm n ASN 40 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2wdm h PRO 41 N 12.19 0.62 0.00 1.20 0.11 -1.98 -2.08 132.00 142.07 2wdm h PRO 41 Ca -0.24 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2wdm h PRO 41 Cb 1.33 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wdm h PRO 41 CO 1.05 0.41 0.13 0.00 -0.21 0.00 0.00 178.00 179.38 2wdm n ALA 42 N -2.42 0.72 -1.00 -0.75 0.00 -1.26 -3.54 120.51 112.27 2wdm n ALA 42 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2wdm n ALA 42 Cb 0.35 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2wdm n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wdm n THR 43 N -1.17 0.00 -4.39 0.00 -2.24 -0.78 -4.88 114.28 100.81 2wdm n THR 43 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 2wdm n THR 43 Cb 0.13 -0.90 -0.13 0.00 -2.10 0.00 0.00 70.33 67.33 2wdm n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wdm s ARG 44 N -0.25 1.02 0.30 -0.78 1.81 -1.26 -3.54 118.95 116.25 2wdm s ARG 44 Ca 0.00 -0.82 0.10 0.00 -1.72 0.00 0.00 55.73 53.29 2wdm s ARG 44 Cb 0.00 -1.06 0.46 0.00 -0.45 0.00 0.00 34.95 33.90 2wdm s ARG 44 CO 0.00 0.26 1.68 0.28 -0.68 0.00 0.00 175.30 176.84 2wdm h VAL 45 N 4.44 1.38 0.00 3.52 2.07 -1.13 -3.17 116.25 123.36 2wdm h VAL 45 Ca -0.39 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.30 2wdm h VAL 45 Cb 1.18 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2wdm h VAL 45 CO 0.43 0.52 0.00 2.29 0.02 0.00 0.00 177.57 180.84 2wdm n LYS 46 N -3.91 0.00 0.00 1.57 2.85 -1.26 -4.51 118.16 112.90 2wdm n LYS 46 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2wdm n LYS 46 Cb 0.55 -0.99 0.00 0.00 -0.65 0.00 0.00 35.03 33.94 2wdm n LYS 46 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2wdm n ASP 47 N 0.10 0.00 0.00 -5.58 5.68 -1.20 -5.12 116.55 110.43 2wdm n ASP 47 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2wdm n ASP 47 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2wdm n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wdm n LEU 48 N 0.00 0.00 -4.51 -2.12 -0.00 -1.26 -4.69 117.00 104.42 2wdm n LEU 48 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 2wdm n LEU 48 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.48 2wdm n LEU 48 CO 0.00 0.00 0.19 0.41 -0.00 0.00 0.00 177.39 177.99 2wdm n THR 49 N -0.21 2.46 0.21 1.47 -1.04 -1.26 -4.81 114.28 111.10 2wdm n THR 49 Ca 0.00 -0.46 0.08 0.00 -2.04 0.00 0.00 64.05 61.64 2wdm n THR 49 Cb 0.00 -0.82 0.43 0.00 -1.82 0.00 0.00 70.33 68.12 2wdm n THR 49 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2wdm h GLU 50 N 0.03 0.00 -0.05 -2.82 4.39 -2.01 -1.83 114.58 112.29 2wdm h GLU 50 Ca -0.46 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.19 2wdm h GLU 50 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 2wdm h GLU 50 CO 0.46 0.28 -0.16 0.00 -1.16 0.00 0.00 179.01 178.43 2wdm h ALA 51 N 1.72 0.09 -0.20 3.43 0.00 -1.98 -1.81 119.26 120.52 2wdm h ALA 51 Ca -0.00 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.59 2wdm h ALA 51 Cb 0.77 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2wdm h ALA 51 CO 0.04 0.01 -0.41 0.93 0.00 0.00 0.00 179.25 179.82 2wdm h GLU 52 N -0.33 -0.43 -0.63 0.00 5.08 -1.77 1.41 114.58 117.92 2wdm h GLU 52 Ca -0.01 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2wdm h GLU 52 Cb 0.78 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 30.01 2wdm h GLU 52 CO 0.03 -0.28 -0.35 0.28 -1.00 0.00 0.00 179.01 177.69 2wdm h VAL 53 N -0.44 0.14 0.00 3.13 2.07 -1.35 1.01 116.25 120.81 2wdm h VAL 53 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2wdm h VAL 53 Cb 0.61 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2wdm h VAL 53 CO -0.43 0.00 0.00 0.52 0.02 0.00 0.00 177.57 177.68 2wdm n VAL 54 N -5.43 0.00 -0.55 2.57 0.31 0.53 0.17 118.33 115.92 2wdm n VAL 54 Ca 0.04 1.33 0.45 0.00 -0.01 0.00 0.00 64.34 66.15 2wdm n VAL 54 Cb 0.36 -2.32 0.76 0.00 -0.91 0.00 0.00 33.84 31.72 2wdm n VAL 54 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wdm h ARG 55 N 0.00 0.03 0.14 5.55 2.43 0.19 3.49 114.38 126.21 2wdm h ARG 55 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2wdm h ARG 55 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2wdm h ARG 55 CO 0.00 0.02 -0.07 1.25 -1.51 0.00 0.00 179.97 179.66 2wdm h LEU 56 N 0.03 -0.16 -2.08 3.80 7.12 0.14 -2.41 115.31 121.75 2wdm h LEU 56 Ca 0.83 0.01 0.10 0.00 0.13 0.00 0.00 57.88 58.94 2wdm h LEU 56 Cb 3.10 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 43.26 2wdm h LEU 56 CO -0.13 0.00 0.29 -0.09 -0.13 0.00 0.00 178.44 178.38 2wdm h ARG 57 N -0.43 0.00 0.38 1.25 2.43 0.50 0.57 114.38 119.09 2wdm h ARG 57 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2wdm h ARG 57 Cb 0.15 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2wdm h ARG 57 CO 0.03 0.00 -0.26 0.93 -1.51 0.00 0.00 179.97 179.16 2wdm h GLU 58 N 0.00 -0.59 0.29 0.20 4.39 0.63 0.21 114.58 119.71 2wdm h GLU 58 Ca 0.16 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 2wdm h GLU 58 Cb 0.73 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 2wdm h GLU 58 CO -0.00 -0.39 -0.36 -0.92 -1.16 0.00 0.00 179.01 176.17 2wdm h TYR 59 N -0.61 -1.02 0.00 4.33 3.20 -0.79 -2.05 116.97 120.03 2wdm h TYR 59 Ca -0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2wdm h TYR 59 Cb 0.49 0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.17 2wdm h TYR 59 CO -0.03 -0.46 0.00 0.28 -1.64 0.00 0.00 178.16 176.30 2wdm n VAL 60 N -4.57 0.00 0.29 1.81 0.31 0.11 0.19 118.33 116.46 2wdm n VAL 60 Ca -0.08 1.43 0.17 0.00 -0.01 0.00 0.00 64.34 65.85 2wdm n VAL 60 Cb 0.32 -1.97 0.81 0.00 -0.91 0.00 0.00 33.84 32.08 2wdm n VAL 60 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wdm h GLU 61 N 0.00 0.00 0.00 5.55 4.81 -0.68 -3.26 114.58 121.00 2wdm h GLU 61 Ca 0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.86 2wdm h GLU 61 Cb 0.00 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 2wdm h GLU 61 CO 0.00 0.04 -2.39 0.09 -0.73 0.00 0.00 179.01 176.02 2wdm n ASN 62 N -3.22 1.62 0.02 1.04 4.13 -0.77 -4.67 115.26 113.41 2wdm n ASN 62 Ca -0.01 -0.10 -0.03 0.00 1.68 0.00 0.00 54.58 56.12 2wdm n ASN 62 Cb 0.25 -0.06 -0.02 0.00 -1.54 0.00 0.00 39.78 38.41 2wdm n ASN 62 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2wdm h THR 63 N 0.00 0.00 -3.23 3.41 2.02 0.20 -3.47 112.91 111.84 2wdm h THR 63 Ca -0.55 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2wdm h THR 63 Cb 1.94 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2wdm h THR 63 CO -0.06 0.00 0.00 -2.67 0.37 0.00 0.00 175.52 173.16 2wdm n TRP 64 N -3.04 0.00 -4.42 3.16 2.14 -1.24 -5.09 117.44 108.95 2wdm n TRP 64 Ca -0.02 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.35 2wdm n TRP 64 Cb 0.08 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.48 2wdm n TRP 64 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 2wdm s LYS 65 N -1.53 1.55 0.00 -2.67 2.20 -1.26 -4.76 119.74 113.27 2wdm s LYS 65 Ca 0.00 -1.81 0.00 0.00 -0.36 0.00 0.00 55.97 53.80 2wdm s LYS 65 Cb 0.00 -0.97 0.00 0.00 -1.51 0.00 0.00 37.83 35.35 2wdm s LYS 65 CO 0.00 -0.06 0.00 1.28 -0.36 0.00 0.00 175.35 176.21 2wdm n LEU 66 N -0.59 0.00 -1.55 5.43 4.77 0.28 -4.84 117.00 120.50 2wdm n LEU 66 Ca -0.04 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 2wdm n LEU 66 Cb 0.65 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 2wdm n LEU 66 CO 0.40 0.00 0.48 1.21 -1.33 0.00 0.00 177.39 178.16 2wdm n GLU 67 N 0.00 0.00 0.00 3.23 4.07 -0.77 -2.14 120.64 125.03 2wdm n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wdm n GLU 67 Cb 0.00 -0.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.87 2wdm n GLU 67 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wdm n GLY 68 N 1.92 1.13 2.90 8.31 0.00 -1.26 -4.71 105.19 113.47 2wdm n GLY 68 Ca 0.14 0.39 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 2wdm n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdm s GLU 69 N 0.00 1.45 0.00 1.61 2.56 -0.91 0.21 118.70 123.62 2wdm s GLU 69 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.97 54.30 2wdm s GLU 69 Cb 0.00 -2.22 0.00 0.00 2.00 0.00 0.00 34.13 33.91 2wdm s GLU 69 CO 0.00 -0.50 0.00 -0.11 -0.56 0.00 0.00 175.26 174.09 2wdm n LEU 70 N 4.82 0.00 0.33 2.70 0.00 -1.19 0.99 117.00 124.64 2wdm n LEU 70 Ca -0.12 0.00 0.15 0.00 0.00 0.00 0.00 56.01 56.04 2wdm n LEU 70 Cb 0.46 0.00 0.78 0.00 0.00 0.00 0.00 43.42 44.67 2wdm n LEU 70 CO 0.17 0.00 1.10 -0.09 0.00 0.00 0.00 177.39 178.57 2wdm h ARG 71 N 0.00 0.00 0.00 1.96 2.43 0.23 1.81 114.38 120.81 2wdm h ARG 71 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 2wdm h ARG 71 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2wdm h ARG 71 CO 0.00 0.00 -0.56 0.00 -1.51 0.00 0.00 179.97 177.90 2wdm h ALA 72 N 1.32 0.75 0.05 2.80 0.00 -0.21 -3.16 119.26 120.81 2wdm h ALA 72 Ca 0.00 -0.26 -0.36 0.00 0.00 0.00 0.00 54.91 54.29 2wdm h ALA 72 Cb 0.67 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2wdm h ALA 72 CO 0.00 0.32 -2.11 -1.91 0.00 0.00 0.00 179.25 175.56 2wdm n GLU 73 N -3.02 0.69 0.30 0.00 2.13 0.56 -3.06 120.64 118.24 2wdm n GLU 73 Ca 0.01 0.20 0.17 0.00 0.66 0.00 0.00 57.16 58.20 2wdm n GLU 73 Cb 0.64 -1.65 0.97 0.00 0.27 0.00 0.00 31.44 31.66 2wdm n GLU 73 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2wdm h VAL 74 N 0.03 0.42 0.00 6.31 2.07 0.12 1.51 116.25 126.70 2wdm h VAL 74 Ca -0.45 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2wdm h VAL 74 Cb 2.03 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2wdm h VAL 74 CO 0.03 0.01 -0.75 0.00 0.02 0.00 0.00 177.57 176.89 2wdm h ALA 75 N 1.99 0.61 0.14 1.67 0.00 -1.66 -3.30 119.26 118.71 2wdm h ALA 75 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2wdm h ALA 75 Cb 0.03 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.84 2wdm h ALA 75 CO 0.00 0.00 -0.82 0.00 0.00 0.00 0.00 179.25 178.43 2wdm h ALA 76 N 2.10 -0.09 -0.30 0.00 0.00 0.19 -1.25 119.26 119.91 2wdm h ALA 76 Ca 0.00 -0.70 0.09 0.00 0.00 0.00 0.00 54.91 54.29 2wdm h ALA 76 Cb 0.95 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2wdm h ALA 76 CO 0.00 0.38 0.22 -0.91 0.00 0.00 0.00 179.25 178.94 2wdm h ASN 77 N -0.38 0.01 1.36 0.00 2.35 -0.15 0.52 115.58 119.30 2wdm h ASN 77 Ca -0.14 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.48 2wdm h ASN 77 Cb 1.64 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.99 2wdm h ASN 77 CO 0.15 0.01 -0.64 0.40 -1.65 0.00 0.00 177.43 175.69 2wdm h ILE 78 N 0.01 1.00 -0.16 2.81 2.04 -1.62 -2.95 117.51 118.65 2wdm h ILE 78 Ca 0.14 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.57 2wdm h ILE 78 Cb 0.56 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 2wdm h ILE 78 CO -0.00 0.57 0.10 0.11 0.00 0.00 0.00 178.15 178.93 2wdm h LYS 79 N 0.00 0.21 -0.41 2.37 1.57 0.12 -2.64 116.57 117.80 2wdm h LYS 79 Ca -0.01 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2wdm h LYS 79 Cb 1.47 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.67 2wdm h LYS 79 CO 0.08 0.15 0.00 -0.09 -0.57 0.00 0.00 179.45 179.02 2wdm h ARG 80 N 0.20 0.10 -0.03 3.15 2.43 -1.19 -1.38 114.38 117.67 2wdm h ARG 80 Ca 0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2wdm h ARG 80 Cb -0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2wdm h ARG 80 CO -0.01 0.07 0.00 1.28 -1.51 0.00 0.00 179.97 179.80 2wdm n LEU 81 N -5.20 0.03 -1.23 3.80 4.77 -1.00 -0.10 117.00 118.08 2wdm n LEU 81 Ca 0.03 -0.02 0.08 0.00 -0.03 0.00 0.00 56.01 56.07 2wdm n LEU 81 Cb 0.21 -0.02 0.29 0.00 -2.33 0.00 0.00 43.42 41.58 2wdm n LEU 81 CO 0.19 0.01 0.76 1.15 -1.33 0.00 0.00 177.39 178.16 2wdm n MET 82 N -0.09 3.44 0.00 3.23 0.00 -0.52 -4.24 117.12 118.94 2wdm n MET 82 Ca 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 57.70 54.98 2wdm n MET 82 Cb 0.01 -1.78 0.00 0.00 0.00 0.00 0.00 33.22 31.45 2wdm n MET 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2wdm n ASP 83 N 0.55 0.00 0.19 3.17 3.85 0.86 -4.56 116.55 120.60 2wdm n ASP 83 Ca 0.22 0.00 0.13 0.00 -0.71 0.00 0.00 54.79 54.43 2wdm n ASP 83 Cb 0.82 0.00 0.67 0.00 -1.35 0.00 0.00 41.12 41.26 2wdm n ASP 83 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 2wdm h ILE 84 N 0.00 0.00 0.00 2.12 1.08 -1.91 -3.45 117.51 115.35 2wdm h ILE 84 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2wdm h ILE 84 Cb 0.00 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 34.46 2wdm h ILE 84 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 2wdm n GLY 85 N -0.93 0.77 3.42 5.37 0.00 -1.26 -5.08 105.19 107.47 2wdm n GLY 85 Ca -0.01 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 2wdm n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdm h TYR 87 N -1.47 1.12 0.00 0.00 3.20 -1.96 1.39 116.97 119.25 2wdm h TYR 87 Ca -0.44 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.43 2wdm h TYR 87 Cb 1.29 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 2wdm h TYR 87 CO 0.39 0.49 -0.19 -0.09 -1.64 0.00 0.00 178.16 177.11 2wdm h ARG 88 N 1.02 0.00 0.78 1.82 2.43 -1.92 -2.96 114.38 115.54 2wdm h ARG 88 Ca 0.47 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.60 2wdm h ARG 88 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2wdm h ARG 88 CO -0.23 0.19 -0.42 0.78 -1.51 0.00 0.00 179.97 178.79 2wdm h GLY 89 N 1.40 -1.20 0.00 2.80 0.00 0.17 -3.39 103.07 102.84 2wdm h GLY 89 Ca -0.00 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2wdm h GLY 89 CO 0.02 -0.42 0.00 1.04 0.00 0.00 0.00 176.54 177.18 2wdm n LEU 90 N -5.09 0.00 0.00 3.11 4.77 -0.77 -2.28 117.00 116.74 2wdm n LEU 90 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2wdm n LEU 90 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2wdm n LEU 90 CO 0.32 -0.28 0.00 0.54 -1.33 0.00 0.00 177.39 176.64 2wdm n ARG 91 N 0.00 0.00 -0.00 3.23 5.12 -1.26 -3.80 116.66 119.95 2wdm n ARG 91 Ca 0.00 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.88 2wdm n ARG 91 Cb 0.00 -3.03 -0.01 0.00 -1.16 0.00 0.00 32.46 28.26 2wdm n ARG 91 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2wdm n HIS 92 N -1.22 0.00 -0.29 -1.55 8.25 -1.18 0.26 115.22 119.49 2wdm n HIS 92 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 2wdm n HIS 92 Cb 0.00 -0.18 0.26 0.00 1.12 0.00 0.00 29.99 31.19 2wdm n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wdm h ARG 93 N -0.31 0.25 -1.92 -0.41 -0.00 -1.55 -0.11 114.38 110.32 2wdm h ARG 93 Ca -0.04 -0.02 -0.63 0.00 -0.50 0.00 0.00 59.98 58.79 2wdm h ARG 93 Cb 0.46 -0.06 -0.39 0.00 0.00 0.00 0.00 29.97 29.99 2wdm h ARG 93 CO -0.02 0.17 -0.31 0.54 0.00 0.00 0.00 179.97 180.35 2wdm n ARG 94 N -5.18 3.49 -0.12 0.04 3.00 -1.26 -5.04 116.66 111.59 2wdm n ARG 94 Ca 0.19 -4.54 0.00 0.00 -0.01 0.00 0.00 57.85 53.50 2wdm n ARG 94 Cb 0.61 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.80 2wdm n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wdm n GLY 95 N -0.36 0.00 3.66 -0.13 0.00 -0.06 -4.45 105.19 103.85 2wdm n GLY 95 Ca 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.32 2wdm n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdm s LEU 96 N 0.00 0.20 -0.14 0.99 1.43 0.72 -4.77 118.68 117.11 2wdm s LEU 96 Ca 0.00 -0.89 -0.25 0.00 -1.03 0.00 0.00 54.13 51.96 2wdm s LEU 96 Cb 0.00 2.04 -0.02 0.00 0.03 0.00 0.00 46.19 48.24 2wdm s LEU 96 CO 0.00 -1.23 0.79 -2.16 0.23 0.00 0.00 176.35 173.98 2wdm s PRO 97 N -3.85 4.33 -0.97 1.29 0.04 -1.26 -4.47 135.00 130.11 2wdm s PRO 97 Ca 0.20 0.97 -0.00 0.00 0.04 0.00 0.00 61.00 62.20 2wdm s PRO 97 Cb -0.02 -3.54 0.32 0.00 0.04 0.00 0.00 34.50 31.30 2wdm s PRO 97 CO 0.09 -0.22 1.75 0.28 0.04 0.00 0.00 177.00 178.94 2wdm n VAL 98 N 4.48 5.63 -2.80 -0.36 0.31 -1.26 -4.61 118.33 119.72 2wdm n VAL 98 Ca 0.03 -5.84 -0.02 0.00 -0.01 0.00 0.00 64.34 58.50 2wdm n VAL 98 Cb 0.50 -1.51 0.06 0.00 -0.91 0.00 0.00 33.84 31.97 2wdm n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdm n ARG 99 N -0.11 1.60 -2.83 5.55 1.74 -1.26 -4.95 116.66 116.40 2wdm n ARG 99 Ca 0.46 -3.24 -0.03 0.00 -0.77 0.00 0.00 57.85 54.26 2wdm n ARG 99 Cb 0.27 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 2wdm n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdm n GLY 100 N -0.60 -2.78 1.37 -0.13 0.00 -1.26 -5.07 105.19 96.72 2wdm n GLY 100 Ca 0.05 0.97 -0.06 0.00 0.00 0.00 0.00 46.02 46.98 2wdm n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wdm n GLN 101 N 2.12 0.27 -1.14 1.61 6.02 -1.26 -5.06 117.38 119.94 2wdm n GLN 101 Ca -0.23 -1.17 -0.36 0.00 -0.01 0.00 0.00 57.00 55.23 2wdm n GLN 101 Cb 0.35 1.11 -0.03 0.00 1.02 0.00 0.00 30.24 32.69 2wdm n GLN 101 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wdm n ARG 102 N -0.24 2.18 0.00 -1.09 5.12 -1.26 -4.66 116.66 116.71 2wdm n ARG 102 Ca 0.01 -1.90 0.01 0.00 -1.93 0.00 0.00 57.85 54.04 2wdm n ARG 102 Cb 0.24 -2.82 0.06 0.00 -1.16 0.00 0.00 32.46 28.78 2wdm n ARG 102 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2wdm n THR 103 N 4.99 0.00 -0.06 0.55 -2.24 -1.26 -1.37 114.28 114.89 2wdm n THR 103 Ca 0.52 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.25 2wdm n THR 103 Cb 0.29 -0.40 -0.15 0.00 -2.10 0.00 0.00 70.33 67.97 2wdm n THR 103 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wdm n ARG 104 N -0.58 0.67 0.00 -0.78 0.63 -1.26 -4.89 116.66 110.45 2wdm n ARG 104 Ca 0.01 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 2wdm n ARG 104 Cb 0.01 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.32 2wdm n ARG 104 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2wdm n THR 105 N -2.73 0.00 -1.19 5.15 -2.24 -0.47 -5.11 114.28 107.68 2wdm n THR 105 Ca -0.23 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 2wdm n THR 105 Cb 1.01 -0.48 0.03 0.00 -2.10 0.00 0.00 70.33 68.79 2wdm n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wdm n ASN 106 N -1.01 0.02 0.00 3.42 4.13 -1.08 -4.83 115.26 115.92 2wdm n ASN 106 Ca 0.00 -1.08 0.00 0.00 1.68 0.00 0.00 54.58 55.18 2wdm n ASN 106 Cb 0.00 -0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.07 2wdm n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wdm n ALA 107 N -3.14 0.00 0.01 5.41 0.00 -1.26 -4.29 120.51 117.24 2wdm n ALA 107 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2wdm n ALA 107 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2wdm n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdm n ARG 108 N 0.00 0.01 -0.13 0.00 3.00 -1.26 -1.99 116.66 116.28 2wdm n ARG 108 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.85 57.56 2wdm n ARG 108 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 32.46 31.36 2wdm n ARG 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2wdm n THR 109 N -0.18 1.53 -0.64 0.55 -1.04 -1.26 -4.30 114.28 108.93 2wdm n THR 109 Ca 0.00 -0.31 0.08 0.00 -2.04 0.00 0.00 64.05 61.78 2wdm n THR 109 Cb 0.00 -1.91 0.37 0.00 -1.82 0.00 0.00 70.33 66.96 2wdm n THR 109 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2wdm n ARG 110 N -4.28 4.11 -4.03 -2.82 1.74 -0.96 -4.93 116.66 105.48 2wdm n ARG 110 Ca -0.50 -2.88 -0.12 0.00 -0.77 0.00 0.00 57.85 53.58 2wdm n ARG 110 Cb 0.85 -2.03 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 2wdm n ARG 110 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2wdm s LYS 111 N -2.19 1.81 3.44 5.56 2.20 -0.84 -4.10 119.74 125.62 2wdm s LYS 111 Ca 0.51 -1.55 0.00 0.00 -0.36 0.00 0.00 55.97 54.57 2wdm s LYS 111 Cb 0.35 0.47 0.00 0.00 -1.51 0.00 0.00 37.83 37.14 2wdm s LYS 111 CO 0.20 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 2wdm n GLY 112 N -0.49 0.89 3.38 5.54 0.00 -1.26 -4.46 105.19 108.79 2wdm n GLY 112 Ca -0.01 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 2wdm n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdm n PRO 113 N 0.00 -0.80 -1.60 1.61 -0.02 -1.26 -5.03 135.00 127.90 2wdm n PRO 113 Ca 0.00 -0.20 -0.45 0.00 -2.02 0.00 0.00 63.50 60.84 2wdm n PRO 113 Cb 0.00 -1.83 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 2wdm n PRO 113 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wdm n ARG 114 N -2.00 1.41 -0.12 -0.52 1.74 -1.26 -4.91 116.66 111.00 2wdm n ARG 114 Ca 0.05 0.50 0.08 0.00 -0.77 0.00 0.00 57.85 57.70 2wdm n ARG 114 Cb 0.56 -1.89 0.14 0.00 -1.02 0.00 0.00 32.46 30.25 2wdm n ARG 114 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wdm n LYS 115 N 0.76 1.96 0.00 5.56 4.01 -1.26 -5.05 118.16 124.14 2wdm n LYS 115 Ca 0.09 -1.84 0.00 0.00 -0.51 0.00 0.00 58.31 56.05 2wdm n LYS 115 Cb 0.32 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 2wdm n LYS 115 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2wdm n THR 116 N 0.93 0.00 -0.91 -0.18 -1.04 -1.26 -4.96 114.28 106.87 2wdm n THR 116 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2wdm n THR 116 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 2wdm n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2wdm n VAL 117 N 0.00 -2.06 -0.02 12.58 0.31 -1.26 -5.10 118.33 122.78 2wdm n VAL 117 Ca 0.00 0.96 0.00 0.00 -0.01 0.00 0.00 64.34 65.29 2wdm n VAL 117 Cb 0.00 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 2wdm n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdm n ALA 118 N -1.89 0.00 -0.17 3.52 0.00 -1.26 -5.10 120.51 115.61 2wdm n ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdm n ALA 118 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2wdm n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdm n GLY 119 N -0.05 0.17 3.58 0.00 0.00 -1.26 -5.11 105.19 102.53 2wdm n GLY 119 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2wdm n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdm n LYS 120 N 0.00 1.91 -4.19 1.61 4.76 -1.26 -4.95 118.16 116.04 2wdm n LYS 120 Ca 0.00 0.54 -0.16 0.00 -2.87 0.00 0.00 58.31 55.82 2wdm n LYS 120 Cb 0.00 -3.10 -0.11 0.00 -1.84 0.00 0.00 35.03 29.97 2wdm n LYS 120 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2wdm s LYS 121 N 6.16 0.88 0.48 1.97 1.02 -1.26 -5.17 119.74 123.83 2wdm s LYS 121 Ca 1.01 -1.12 0.07 0.00 0.02 0.00 0.00 55.97 55.95 2wdm s LYS 121 Cb -0.42 -0.72 0.01 0.00 -0.52 0.00 0.00 37.83 36.18 2wdm s LYS 121 CO 0.38 0.14 0.39 0.15 -0.92 0.00 0.00 175.35 175.48 2wdm s LYS 122 N -2.44 2.36 -0.10 1.68 1.02 -1.26 -5.14 119.74 115.86 2wdm s LYS 122 Ca 0.04 -1.79 -0.02 0.00 0.02 0.00 0.00 55.97 54.22 2wdm s LYS 122 Cb -0.06 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 2wdm s LYS 122 CO 0.02 -0.40 -0.01 0.00 -0.92 0.00 0.00 175.35 174.03 2wdm s ALA 123 N -2.63 3.21 -0.72 5.17 0.00 -1.26 -5.00 121.76 120.53 2wdm s ALA 123 Ca 0.42 -0.81 0.25 0.00 0.00 0.00 0.00 51.96 51.82 2wdm s ALA 123 Cb -0.02 -1.50 0.63 0.00 0.00 0.00 0.00 23.12 22.23 2wdm s ALA 123 CO 0.25 0.48 1.59 -0.35 0.00 0.00 0.00 175.76 177.73 2wdm n PRO 124 N 2.53 0.25 -1.86 0.00 -0.04 -1.26 -4.87 135.00 129.75 2wdm n PRO 124 Ca -0.18 0.15 -0.30 0.00 -0.04 0.00 0.00 63.50 63.13 2wdm n PRO 124 Cb 0.53 -1.73 0.17 0.00 -0.04 0.00 0.00 33.50 32.43 2wdm n PRO 124 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wdm s ARG 125 N -3.12 0.82 0.00 0.54 0.52 -1.26 -5.40 118.95 111.05 2wdm s ARG 125 Ca 0.09 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 2wdm s ARG 125 Cb 0.13 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.75 2wdm s ARG 125 CO 0.65 -2.32 0.00 1.17 0.02 0.00 0.00 175.30 174.82