#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmj n ALA 2 N 0.00 0.00 -0.99 3.04 0.00 -1.26 -4.78 120.51 116.53 1wmj n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wmj n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wmj n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj n ALA 3 N 2.49 0.00 -2.65 0.00 0.00 -1.26 -4.78 120.51 114.31 1wmj n ALA 3 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1wmj n ALA 3 Cb 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 19.45 19.44 1wmj n ALA 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wmj n GLU 4 N -2.43 0.03 0.00 0.00 2.13 -1.26 -4.75 120.64 114.36 1wmj n GLU 4 Ca 0.00 -0.54 0.00 0.00 0.66 0.00 0.00 57.16 57.28 1wmj n GLU 4 Cb 0.03 -0.03 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1wmj n GLU 4 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1wmj n GLU 5 N 0.42 3.53 -0.12 5.31 -0.58 -1.26 -4.91 120.64 123.04 1wmj n GLU 5 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1wmj n GLU 5 Cb 0.76 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.67 1wmj n GLU 5 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wmj n GLY 6 N 5.00 1.76 3.85 0.62 0.00 -1.26 -4.80 105.19 110.35 1wmj n GLY 6 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1wmj n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wmj n VAL 7 N 0.10 0.00 -1.53 1.61 0.24 -1.26 -3.83 118.33 113.66 1wmj n VAL 7 Ca 0.04 -2.04 -0.28 0.00 -2.04 0.00 0.00 64.34 60.02 1wmj n VAL 7 Cb 0.40 -0.29 -0.10 0.00 -1.47 0.00 0.00 33.84 32.38 1wmj n VAL 7 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1wmj n VAL 8 N -2.04 -0.03 -0.95 3.34 0.24 -1.24 -4.83 118.33 112.83 1wmj n VAL 8 Ca 0.08 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.34 61.51 1wmj n VAL 8 Cb 0.61 -1.60 0.05 0.00 -1.47 0.00 0.00 33.84 31.43 1wmj n VAL 8 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1wmj n ILE 9 N 7.69 0.00 -3.36 1.34 2.08 -1.25 -4.41 119.36 121.44 1wmj n ILE 9 Ca 0.51 -0.22 -0.26 0.00 0.56 0.00 0.00 62.75 63.35 1wmj n ILE 9 Cb 0.34 -0.10 -0.09 0.00 -0.75 0.00 0.00 39.64 39.03 1wmj n ILE 9 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wmj n ALA 10 N -3.26 2.86 -0.66 -1.39 0.00 -1.26 0.12 120.51 116.92 1wmj n ALA 10 Ca -0.01 -3.53 -0.31 0.00 0.00 0.00 0.00 53.44 49.58 1wmj n ALA 10 Cb 0.66 -0.82 0.17 0.00 0.00 0.00 0.00 19.45 19.47 1wmj n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj n HIS 12 N -4.27 -0.58 0.00 0.00 -0.00 -1.26 -4.32 115.22 104.79 1wmj n HIS 12 Ca 0.09 -0.67 0.00 0.00 0.46 0.00 0.00 57.72 57.61 1wmj n HIS 12 Cb 0.53 0.76 0.00 0.00 -0.12 0.00 0.00 29.99 31.15 1wmj n HIS 12 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 1wmj n ASN 13 N -0.43 0.00 0.00 0.26 2.04 -1.26 -4.94 115.26 110.92 1wmj n ASN 13 Ca -0.15 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.99 1wmj n ASN 13 Cb 0.63 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.88 1wmj n ASN 13 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 1wmj n LYS 14 N 0.00 0.00 -0.21 -3.83 4.81 -1.26 -4.32 118.16 113.35 1wmj n LYS 14 Ca 0.00 0.00 0.20 0.00 -0.87 0.00 0.00 58.31 57.64 1wmj n LYS 14 Cb 0.00 0.00 0.35 0.00 0.02 0.00 0.00 35.03 35.40 1wmj n LYS 14 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1wmj n ASP 15 N 1.06 0.17 0.08 3.14 2.03 -1.26 0.31 116.55 122.09 1wmj n ASP 15 Ca 0.00 0.89 -0.22 0.00 0.52 0.00 0.00 54.79 55.98 1wmj n ASP 15 Cb 0.00 -0.44 -0.15 0.00 -0.72 0.00 0.00 41.12 39.81 1wmj n ASP 15 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1wmj h GLU 16 N 0.00 0.39 -0.46 -0.67 5.08 -1.97 -3.05 114.58 113.90 1wmj h GLU 16 Ca 0.49 -0.66 0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1wmj h GLU 16 Cb 1.39 0.25 -0.07 0.00 0.50 0.00 0.00 28.75 30.82 1wmj h GLU 16 CO -0.38 1.32 0.00 0.35 -1.00 0.00 0.00 179.01 179.30 1wmj h PHE 17 N -0.17 -0.02 -0.45 4.33 3.04 0.46 -1.86 116.94 122.25 1wmj h PHE 17 Ca -0.20 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.75 1wmj h PHE 17 Cb 1.85 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 40.42 1wmj h PHE 17 CO 0.17 -0.10 0.13 -0.44 -2.02 0.00 0.00 178.31 176.06 1wmj h ASP 18 N 0.11 0.67 -1.24 0.41 3.32 -1.33 -2.55 116.42 115.81 1wmj h ASP 18 Ca 0.23 -0.21 0.43 0.00 0.02 0.00 0.00 57.03 57.50 1wmj h ASP 18 Cb 0.33 -0.18 -0.13 0.00 0.22 0.00 0.00 39.33 39.58 1wmj h ASP 18 CO -0.38 0.70 0.79 0.00 -1.72 0.00 0.00 179.24 178.63 1wmj n ALA 19 N -2.35 1.23 -0.09 3.45 0.00 -0.71 -0.14 120.51 121.90 1wmj n ALA 19 Ca 0.01 0.81 -0.16 0.00 0.00 0.00 0.00 53.44 54.09 1wmj n ALA 19 Cb 0.19 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 1wmj n ALA 19 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1wmj h GLN 20 N 0.00 0.00 -1.23 0.00 7.50 -1.48 -3.29 115.11 116.62 1wmj h GLN 20 Ca 0.80 0.00 0.36 0.00 0.50 0.00 0.00 58.65 60.31 1wmj h GLN 20 Cb 2.56 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 30.00 1wmj h GLN 20 CO -0.45 0.68 0.83 1.98 -1.50 0.00 0.00 178.83 180.38 1wmj h MET 21 N -1.00 0.16 0.00 1.46 4.05 -0.52 1.24 114.93 120.32 1wmj h MET 21 Ca -0.23 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.05 1wmj h MET 21 Cb 1.04 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.78 1wmj h MET 21 CO -0.14 0.11 -0.64 1.15 0.23 0.00 0.00 176.91 177.62 1wmj h THR 22 N 0.17 1.21 -0.00 -0.77 2.02 -0.70 -3.16 112.91 111.68 1wmj h THR 22 Ca 0.67 -2.40 -0.00 0.00 0.77 0.00 0.00 66.41 65.45 1wmj h THR 22 Cb 2.19 2.39 -0.00 0.00 -1.74 0.00 0.00 68.15 70.99 1wmj h THR 22 CO -0.22 0.63 0.00 0.29 0.37 0.00 0.00 175.52 176.59 1wmj n LYS 23 N -3.42 1.01 0.02 6.66 5.02 0.43 -3.45 118.16 124.42 1wmj n LYS 23 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wmj n LYS 23 Cb 0.73 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 1wmj n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wmj n ALA 24 N 0.21 3.00 -0.19 7.82 0.00 -1.19 -4.18 120.51 125.98 1wmj n ALA 24 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1wmj n ALA 24 Cb 0.36 0.37 0.02 0.00 0.00 0.00 0.00 19.45 20.20 1wmj n ALA 24 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1wmj h LYS 25 N 0.00 0.76 0.18 0.00 2.10 -1.67 0.19 116.57 118.13 1wmj h LYS 25 Ca 0.00 -0.09 -0.35 0.00 -2.00 0.00 0.00 60.65 58.21 1wmj h LYS 25 Cb 0.63 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1wmj h LYS 25 CO 0.00 0.58 -1.80 1.05 -2.00 0.00 0.00 179.45 177.29 1wmj h GLU 26 N 0.74 0.37 -0.22 0.07 4.11 -1.87 -3.34 114.58 114.44 1wmj h GLU 26 Ca 0.19 -0.63 -0.02 0.00 0.07 0.00 0.00 59.36 58.97 1wmj h GLU 26 Cb 0.04 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1wmj h GLU 26 CO -0.03 1.30 0.03 0.00 0.07 0.00 0.00 179.01 180.39 1wmj h ALA 27 N 0.10 1.65 -0.25 1.06 0.00 -1.71 -3.47 119.26 116.64 1wmj h ALA 27 Ca -0.36 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wmj h ALA 27 Cb 2.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1wmj h ALA 27 CO 0.16 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1wmj n GLY 28 N -1.19 1.12 3.07 0.00 0.00 0.56 -4.98 105.19 103.77 1wmj n GLY 28 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 1wmj n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wmj s LYS 29 N -2.19 0.57 0.91 1.61 -2.85 -0.49 -5.03 119.74 112.26 1wmj s LYS 29 Ca 0.00 -1.01 -0.11 0.00 -1.00 0.00 0.00 55.97 53.84 1wmj s LYS 29 Cb 0.00 0.02 0.14 0.00 -2.06 0.00 0.00 37.83 35.93 1wmj s LYS 29 CO 0.00 -0.05 1.10 0.08 0.10 0.00 0.00 175.35 176.57 1wmj s VAL 30 N -2.83 2.61 0.05 1.79 1.01 -1.02 -4.32 120.40 117.69 1wmj s VAL 30 Ca -0.01 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.23 1wmj s VAL 30 Cb -0.00 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1wmj s VAL 30 CO -0.05 -0.26 -0.14 -0.69 0.00 0.00 0.00 175.10 173.97 1wmj s VAL 31 N -2.81 3.12 -0.32 2.92 1.01 -1.22 -2.40 120.40 120.70 1wmj s VAL 31 Ca 0.64 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1wmj s VAL 31 Cb -0.20 -2.37 0.13 0.00 0.00 0.00 0.00 36.38 33.94 1wmj s VAL 31 CO 0.58 0.28 0.22 -0.63 0.00 0.00 0.00 175.10 175.55 1wmj s ILE 32 N -1.02 -0.13 -0.20 2.22 1.09 -1.26 -2.48 121.20 119.42 1wmj s ILE 32 Ca 0.17 -0.97 -0.14 0.00 -1.10 0.00 0.00 60.65 58.61 1wmj s ILE 32 Cb -0.11 -0.98 -0.04 0.00 -1.06 0.00 0.00 42.46 40.27 1wmj s ILE 32 CO 0.08 -0.72 0.32 -0.63 -0.10 0.00 0.00 174.94 173.89 1wmj s ILE 33 N 1.81 5.26 -0.88 2.92 1.09 0.13 -1.25 121.20 130.28 1wmj s ILE 33 Ca 0.12 0.55 -0.09 0.00 -1.10 0.00 0.00 60.65 60.13 1wmj s ILE 33 Cb -0.17 -3.65 0.23 0.00 -1.06 0.00 0.00 42.46 37.80 1wmj s ILE 33 CO -0.22 0.31 0.81 1.51 -0.10 0.00 0.00 174.94 177.25 1wmj s ASP 34 N 0.87 6.56 0.66 3.58 -4.77 0.25 -1.06 116.67 122.77 1wmj s ASP 34 Ca 0.16 -3.11 0.00 0.00 -3.30 0.00 0.00 52.55 46.30 1wmj s ASP 34 Cb -0.14 -2.11 0.00 0.00 -1.09 0.00 0.00 42.92 39.58 1wmj s ASP 34 CO 0.06 -0.41 0.00 0.49 0.70 0.00 0.00 175.17 176.01 1wmj n PHE 35 N 3.31 -1.58 0.00 2.11 3.72 -0.13 -1.51 117.46 123.39 1wmj n PHE 35 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 1wmj n PHE 35 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1wmj n PHE 35 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1wmj n THR 36 N -2.35 0.00 -2.02 4.37 5.66 -0.60 -4.05 114.28 115.29 1wmj n THR 36 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1wmj n THR 36 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1wmj n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wmj n ALA 37 N -0.68 0.00 -3.47 1.79 0.00 -1.25 -0.20 120.51 116.70 1wmj n ALA 37 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1wmj n ALA 37 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1wmj n ALA 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wmj n SER 38 N 0.00 0.31 0.00 0.00 7.64 -1.26 0.84 113.62 121.15 1wmj n SER 38 Ca 0.00 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.17 1wmj n SER 38 Cb 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1wmj n SER 38 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1wmj n TRP 39 N -2.93 0.00 0.00 1.43 8.01 -1.26 -4.67 117.44 118.02 1wmj n TRP 39 Ca -0.15 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 1wmj n TRP 39 Cb 0.37 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.67 1wmj n TRP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1wmj n GLY 41 N -0.25 2.74 0.12 0.00 0.00 -1.26 -4.83 105.19 101.71 1wmj n GLY 41 Ca 0.00 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 1wmj n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wmj h PRO 42 N 0.00 -0.18 -5.76 1.61 0.13 -2.00 -3.46 132.00 122.33 1wmj h PRO 42 Ca 0.00 0.01 -0.38 0.00 -0.87 0.00 0.00 66.00 64.76 1wmj h PRO 42 Cb 0.00 0.04 -0.21 0.00 0.13 0.00 0.00 31.00 30.96 1wmj h PRO 42 CO 0.00 0.23 -0.56 0.00 -0.23 0.00 0.00 178.00 177.44 1wmj n ARG 44 N -2.81 0.00 0.11 0.00 5.12 -1.26 -4.59 116.66 113.23 1wmj n ARG 44 Ca -0.00 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 1wmj n ARG 44 Cb 0.32 -0.10 -0.15 0.00 -1.16 0.00 0.00 32.46 31.37 1wmj n ARG 44 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1wmj h PHE 45 N 0.00 0.85 -0.51 -1.55 3.57 -2.01 -3.34 116.94 113.96 1wmj h PHE 45 Ca 0.00 -0.62 0.00 0.00 3.53 0.00 0.00 57.97 60.88 1wmj h PHE 45 Cb 0.00 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1wmj h PHE 45 CO 0.00 1.54 0.00 1.51 -2.23 0.00 0.00 178.31 179.13 1wmj n ILE 46 N -3.78 0.98 0.20 1.41 3.06 -1.26 -4.62 119.36 115.35 1wmj n ILE 46 Ca -0.18 -0.99 -0.15 0.00 -2.50 0.00 0.00 62.75 58.93 1wmj n ILE 46 Cb 1.04 0.52 -0.07 0.00 0.54 0.00 0.00 39.64 41.67 1wmj n ILE 46 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1wmj h ALA 47 N 3.04 -0.64 0.00 1.51 0.00 -1.81 -1.14 119.26 120.22 1wmj h ALA 47 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wmj h ALA 47 Cb 0.84 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wmj h ALA 47 CO 0.00 -0.90 0.00 -0.35 0.00 0.00 0.00 179.25 178.00 1wmj n PRO 48 N -5.42 0.48 -0.14 0.00 -0.04 -1.26 -2.99 135.00 125.64 1wmj n PRO 48 Ca -0.09 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.08 1wmj n PRO 48 Cb 0.33 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 1wmj n PRO 48 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wmj n VAL 49 N -0.78 1.53 0.00 0.52 0.31 -0.48 -4.00 118.33 115.42 1wmj n VAL 49 Ca 0.06 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1wmj n VAL 49 Cb 0.03 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.09 1wmj n VAL 49 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1wmj n PHE 50 N -4.21 0.00 -0.25 3.52 3.72 -0.87 -0.11 117.46 119.26 1wmj n PHE 50 Ca -0.52 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 56.90 1wmj n PHE 50 Cb 0.88 -0.43 0.10 0.00 -0.94 0.00 0.00 39.48 39.09 1wmj n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wmj h ALA 51 N -2.00 0.56 -0.13 4.37 0.00 -1.85 0.65 119.26 120.86 1wmj h ALA 51 Ca 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1wmj h ALA 51 Cb 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1wmj h ALA 51 CO 0.00 -0.42 -0.07 1.05 0.00 0.00 0.00 179.25 179.82 1wmj h GLU 52 N 0.02 0.19 -0.14 0.00 4.11 -1.69 -2.78 114.58 114.29 1wmj h GLU 52 Ca 0.36 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.69 1wmj h GLU 52 Cb 0.58 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1wmj h GLU 52 CO -0.72 0.27 -0.20 1.88 0.07 0.00 0.00 179.01 180.31 1wmj h TYR 53 N 0.19 0.46 -0.97 2.06 -1.99 0.37 -2.63 116.97 114.46 1wmj h TYR 53 Ca 0.04 -0.16 0.31 0.00 2.00 0.00 0.00 58.73 60.93 1wmj h TYR 53 Cb 0.24 -0.09 -0.17 0.00 2.00 0.00 0.00 36.73 38.71 1wmj h TYR 53 CO 0.00 0.81 0.26 0.00 -0.00 0.00 0.00 178.16 179.23 1wmj h ALA 54 N 0.57 1.54 0.07 3.88 0.00 -0.57 0.40 119.26 125.15 1wmj h ALA 54 Ca 0.01 0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.97 1wmj h ALA 54 Cb 0.76 0.43 0.02 0.00 0.00 0.00 0.00 17.79 19.01 1wmj h ALA 54 CO 0.05 -0.67 -0.99 0.87 0.00 0.00 0.00 179.25 178.51 1wmj h LYS 55 N 0.07 0.55 -0.62 0.00 1.57 -1.60 -3.23 116.57 113.31 1wmj h LYS 55 Ca 0.67 -0.68 0.18 0.00 -1.87 0.00 0.00 60.65 58.95 1wmj h LYS 55 Cb 1.54 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 34.04 1wmj h LYS 55 CO -0.80 1.28 0.45 0.87 -0.57 0.00 0.00 179.45 180.68 1wmj h LYS 56 N 0.12 0.02 -3.51 3.15 1.57 0.09 -3.24 116.57 114.78 1wmj h LYS 56 Ca -0.14 -0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.94 1wmj h LYS 56 Cb 1.69 -0.01 -0.35 0.00 0.08 0.00 0.00 32.23 33.64 1wmj h LYS 56 CO 0.19 0.01 -0.29 -0.06 -0.57 0.00 0.00 179.45 178.73 1wmj s PHE 57 N -5.03 3.51 -2.00 -1.35 0.40 -0.06 -4.91 117.98 108.55 1wmj s PHE 57 Ca -0.05 -2.77 0.12 0.00 -0.60 0.00 0.00 56.93 53.62 1wmj s PHE 57 Cb 0.20 -3.22 0.69 0.00 0.51 0.00 0.00 43.02 41.20 1wmj s PHE 57 CO 0.74 -0.82 1.12 -0.35 0.70 0.00 0.00 175.22 176.62 1wmj n PRO 58 N 3.22 0.49 -0.92 0.24 -0.04 -1.23 -2.69 135.00 134.07 1wmj n PRO 58 Ca 0.11 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 1wmj n PRO 58 Cb 0.38 -1.37 0.38 0.00 -0.04 0.00 0.00 33.50 32.85 1wmj n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wmj n GLY 59 N -0.02 3.21 3.33 0.55 0.00 -1.26 -4.95 105.19 106.05 1wmj n GLY 59 Ca 0.09 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 1wmj n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmj s ALA 60 N -2.84 -0.37 -0.13 4.61 0.00 -1.10 -2.44 121.76 119.50 1wmj s ALA 60 Ca 0.55 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1wmj s ALA 60 Cb 0.42 0.73 -0.24 0.00 0.00 0.00 0.00 23.12 24.03 1wmj s ALA 60 CO 0.15 -0.64 0.32 1.33 0.00 0.00 0.00 175.76 176.93 1wmj n VAL 61 N -0.20 1.68 -1.51 0.00 0.24 -1.01 -4.95 118.33 112.58 1wmj n VAL 61 Ca -0.11 -0.69 0.05 0.00 -2.04 0.00 0.00 64.34 61.55 1wmj n VAL 61 Cb 0.63 -1.46 -0.03 0.00 -1.47 0.00 0.00 33.84 31.51 1wmj n VAL 61 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1wmj n PHE 62 N -3.31 -3.89 0.00 6.34 3.01 -1.26 -4.67 117.46 113.68 1wmj n PHE 62 Ca -0.31 2.12 0.00 0.00 1.01 0.00 0.00 57.45 60.27 1wmj n PHE 62 Cb 1.05 -3.34 0.00 0.00 -0.01 0.00 0.00 39.48 37.18 1wmj n PHE 62 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1wmj n LEU 63 N -3.13 0.00 -4.38 4.37 7.94 -0.38 -3.97 117.00 117.45 1wmj n LEU 63 Ca -0.03 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.55 1wmj n LEU 63 Cb 0.51 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.32 1wmj n LEU 63 CO 0.01 0.00 -0.47 -0.75 -1.11 0.00 0.00 177.39 175.07 1wmj s LYS 64 N -1.88 2.98 0.30 1.96 2.20 0.33 0.86 119.74 126.49 1wmj s LYS 64 Ca 0.00 -0.74 0.10 0.00 -0.36 0.00 0.00 55.97 54.98 1wmj s LYS 64 Cb 0.00 -2.46 -0.05 0.00 -1.51 0.00 0.00 37.83 33.81 1wmj s LYS 64 CO 0.00 0.36 -0.06 0.08 -0.36 0.00 0.00 175.35 175.37 1wmj s VAL 65 N -0.04 2.87 -0.25 4.02 1.01 -0.57 0.22 120.40 127.65 1wmj s VAL 65 Ca -0.04 -2.08 0.01 0.00 0.00 0.00 0.00 61.98 59.86 1wmj s VAL 65 Cb -0.14 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.62 1wmj s VAL 65 CO 0.04 -0.32 -0.09 -0.62 0.00 0.00 0.00 175.10 174.11 1wmj s ASP 66 N -3.64 4.32 -0.02 3.32 -1.08 -1.26 -2.95 116.67 115.37 1wmj s ASP 66 Ca 0.32 -1.17 0.00 0.00 -0.52 0.00 0.00 52.55 51.18 1wmj s ASP 66 Cb -0.04 -1.59 0.02 0.00 -1.46 0.00 0.00 42.92 39.85 1wmj s ASP 66 CO 0.18 -0.16 1.51 1.33 0.52 0.00 0.00 175.17 178.55 1wmj n VAL 67 N 4.54 1.55 -0.21 1.11 0.24 0.72 -2.77 118.33 123.50 1wmj n VAL 67 Ca -0.15 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1wmj n VAL 67 Cb 0.44 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 31.58 1wmj n VAL 67 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1wmj n ASP 68 N 0.94 0.19 0.00 -1.34 2.03 -1.26 -4.48 116.55 112.62 1wmj n ASP 68 Ca 0.02 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.79 1wmj n ASP 68 Cb 0.52 0.29 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 1wmj n ASP 68 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1wmj n GLU 69 N -0.29 0.96 -0.59 -0.67 0.28 -1.15 -4.85 120.64 114.33 1wmj n GLU 69 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 1wmj n GLU 69 Cb 0.05 -0.71 0.09 0.00 1.43 0.00 0.00 31.44 32.30 1wmj n GLU 69 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1wmj n LEU 70 N -1.47 1.42 -0.31 -1.84 -0.00 -1.12 -4.87 117.00 108.82 1wmj n LEU 70 Ca 0.00 -2.39 0.26 0.00 -0.00 0.00 0.00 56.01 53.88 1wmj n LEU 70 Cb 0.21 -0.23 0.42 0.00 -0.00 0.00 0.00 43.42 43.82 1wmj n LEU 70 CO 0.00 0.66 0.76 2.29 -0.00 0.00 0.00 177.39 181.10 1wmj n LYS 71 N -0.55 -0.02 -0.51 1.47 2.85 -1.24 0.09 118.16 120.26 1wmj n LYS 71 Ca 0.10 0.73 0.39 0.00 -1.05 0.00 0.00 58.31 58.48 1wmj n LYS 71 Cb 0.77 -1.49 0.60 0.00 -0.65 0.00 0.00 35.03 34.26 1wmj n LYS 71 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1wmj n GLU 72 N -3.74 -0.00 -0.02 -1.58 0.28 -1.26 0.23 120.64 114.54 1wmj n GLU 72 Ca 0.25 0.82 -0.16 0.00 -0.16 0.00 0.00 57.16 57.91 1wmj n GLU 72 Cb 0.99 -1.86 -0.13 0.00 1.43 0.00 0.00 31.44 31.88 1wmj n GLU 72 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1wmj h VAL 73 N 0.00 1.62 -0.33 3.84 2.07 -0.75 -3.23 116.25 119.46 1wmj h VAL 73 Ca 0.70 -2.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 1wmj h VAL 73 Cb 2.72 3.04 -0.02 0.00 -1.52 0.00 0.00 31.29 35.52 1wmj h VAL 73 CO -0.05 0.59 0.08 0.00 0.02 0.00 0.00 177.57 178.21 1wmj h ALA 74 N 0.15 1.52 0.00 1.67 0.00 0.26 -1.56 119.26 121.31 1wmj h ALA 74 Ca -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1wmj h ALA 74 Cb 1.12 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wmj h ALA 74 CO 0.05 0.36 -0.12 0.93 0.00 0.00 0.00 179.25 180.47 1wmj h GLU 75 N 0.48 0.00 0.02 0.00 5.08 -1.09 0.93 114.58 120.00 1wmj h GLU 75 Ca 0.11 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.26 1wmj h GLU 75 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1wmj h GLU 75 CO -0.00 0.12 -0.99 1.57 -1.00 0.00 0.00 179.01 178.70 1wmj h LYS 76 N 0.00 0.05 0.00 2.33 2.10 -1.30 -3.29 116.57 116.46 1wmj h LYS 76 Ca -0.00 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1wmj h LYS 76 Cb 0.35 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1wmj h LYS 76 CO 0.02 0.99 -1.58 0.66 -2.00 0.00 0.00 179.45 177.54 1wmj n TYR 77 N -3.44 0.17 -1.93 0.07 4.01 -0.83 -5.03 117.16 110.18 1wmj n TYR 77 Ca -0.02 0.05 -0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1wmj n TYR 77 Cb 0.91 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 1wmj n TYR 77 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1wmj n ASN 78 N -2.17 -3.65 -0.05 7.72 4.05 0.32 -5.01 115.26 116.46 1wmj n ASN 78 Ca -0.01 0.01 -0.03 0.00 0.45 0.00 0.00 54.58 54.99 1wmj n ASN 78 Cb 0.51 -2.22 -0.12 0.00 1.23 0.00 0.00 39.78 39.18 1wmj n ASN 78 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1wmj n VAL 79 N -1.11 0.71 0.00 3.44 0.24 -0.95 -5.03 118.33 115.64 1wmj n VAL 79 Ca 0.00 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 1wmj n VAL 79 Cb 0.45 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 1wmj n VAL 79 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1wmj n GLU 80 N -2.40 0.00 0.00 7.34 1.02 -1.26 -4.06 120.64 121.28 1wmj n GLU 80 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1wmj n GLU 80 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.23 1wmj n GLU 80 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wmj n ALA 81 N 0.00 0.00 -2.23 0.62 0.00 -1.26 -5.03 120.51 112.61 1wmj n ALA 81 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1wmj n ALA 81 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1wmj n ALA 81 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wmj s MET 82 N 0.00 1.18 0.00 0.00 -1.94 -1.26 -3.91 119.30 113.38 1wmj s MET 82 Ca 0.00 -1.60 0.00 0.00 -1.71 0.00 0.00 55.69 52.38 1wmj s MET 82 Cb 0.00 0.27 0.00 0.00 2.01 0.00 0.00 34.83 37.11 1wmj s MET 82 CO 0.00 -0.38 0.30 -0.35 -0.01 0.00 0.00 175.02 174.58 1wmj n PRO 83 N -0.25 0.49 -1.63 2.03 -0.04 -1.26 -1.55 135.00 132.79 1wmj n PRO 83 Ca 0.01 0.00 -0.58 0.00 -0.04 0.00 0.00 63.50 62.89 1wmj n PRO 83 Cb 0.66 -1.25 -0.08 0.00 -0.04 0.00 0.00 33.50 32.79 1wmj n PRO 83 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1wmj n THR 84 N 0.38 0.08 -0.69 0.52 -1.04 -1.26 0.12 114.28 112.39 1wmj n THR 84 Ca 0.00 -0.01 -0.08 0.00 -2.04 0.00 0.00 64.05 61.92 1wmj n THR 84 Cb 0.15 -0.66 0.02 0.00 -1.82 0.00 0.00 70.33 68.02 1wmj n THR 84 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1wmj n PHE 85 N 3.31 0.72 -0.81 -1.42 3.72 -1.25 -0.95 117.46 120.77 1wmj n PHE 85 Ca 0.23 -1.46 -0.27 0.00 -0.05 0.00 0.00 57.45 55.91 1wmj n PHE 85 Cb 0.10 -0.72 -0.01 0.00 -0.94 0.00 0.00 39.48 37.91 1wmj n PHE 85 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1wmj n LEU 86 N 0.97 -1.31 -4.45 4.37 -0.00 -0.22 -4.20 117.00 112.16 1wmj n LEU 86 Ca 0.14 0.58 -0.24 0.00 -0.00 0.00 0.00 56.01 56.49 1wmj n LEU 86 Cb 0.54 -0.55 -0.10 0.00 -0.00 0.00 0.00 43.42 43.30 1wmj n LEU 86 CO 0.18 -2.22 -0.48 -0.36 -0.00 0.00 0.00 177.39 174.50 1wmj s PHE 87 N -0.84 2.23 -0.42 1.96 0.40 0.60 0.18 117.98 122.09 1wmj s PHE 87 Ca 0.37 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.41 1wmj s PHE 87 Cb -0.46 -0.99 0.21 0.00 0.51 0.00 0.00 43.02 42.28 1wmj s PHE 87 CO 0.36 0.65 0.50 -0.89 0.70 0.00 0.00 175.22 176.55 1wmj n ILE 88 N -0.46 -0.78 -2.52 0.64 2.08 -1.04 -2.75 119.36 114.53 1wmj n ILE 88 Ca -0.06 -3.21 -0.43 0.00 0.56 0.00 0.00 62.75 59.60 1wmj n ILE 88 Cb 0.59 -1.19 -0.02 0.00 -0.75 0.00 0.00 39.64 38.27 1wmj n ILE 88 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1wmj s LYS 89 N -0.28 4.27 0.00 0.38 2.20 -1.26 -2.88 119.74 122.17 1wmj s LYS 89 Ca 0.33 1.55 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 1wmj s LYS 89 Cb 0.11 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1wmj s LYS 89 CO -0.15 -0.61 0.00 -3.47 -0.36 0.00 0.00 175.35 170.75 1wmj n ASP 90 N 6.18 0.00 0.00 1.43 2.03 -1.26 -3.73 116.55 121.19 1wmj n ASP 90 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1wmj n ASP 90 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1wmj n ASP 90 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wmj n GLY 91 N -2.00 0.93 0.00 0.27 0.00 -1.14 -4.75 105.19 98.50 1wmj n GLY 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wmj n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmj n ALA 92 N 0.00 0.96 -3.15 4.61 0.00 -1.24 -5.10 120.51 116.58 1wmj n ALA 92 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1wmj n ALA 92 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1wmj n ALA 92 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wmj s GLU 93 N 0.00 0.12 -0.03 0.00 2.12 -1.26 -4.70 118.70 114.95 1wmj s GLU 93 Ca 0.00 0.17 0.05 0.00 0.36 0.00 0.00 54.97 55.54 1wmj s GLU 93 Cb 0.00 0.09 -0.25 0.00 0.26 0.00 0.00 34.13 34.23 1wmj s GLU 93 CO 0.00 -0.17 0.71 0.00 -0.54 0.00 0.00 175.26 175.26 1wmj h ALA 94 N 7.65 0.55 0.00 6.30 0.00 -1.79 -3.45 119.26 128.52 1wmj h ALA 94 Ca -0.11 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.49 1wmj h ALA 94 Cb 1.18 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1wmj h ALA 94 CO -0.14 1.40 0.00 -0.25 0.00 0.00 0.00 179.25 180.26 1wmj n ASP 95 N -3.26 0.00 -3.47 0.00 8.00 -1.26 -5.00 116.55 111.57 1wmj n ASP 95 Ca -0.18 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.10 1wmj n ASP 95 Cb 1.04 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.07 1wmj n ASP 95 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1wmj n LYS 96 N -0.91 0.52 0.00 -1.24 0.00 -1.26 0.22 118.16 115.49 1wmj n LYS 96 Ca 0.00 -3.16 0.00 0.00 -0.00 0.00 0.00 58.31 55.15 1wmj n LYS 96 Cb 0.00 2.03 0.00 0.00 -0.00 0.00 0.00 35.03 37.06 1wmj n LYS 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1wmj n VAL 97 N -0.76 0.00 0.00 0.58 0.31 -1.26 -4.88 118.33 112.32 1wmj n VAL 97 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1wmj n VAL 97 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1wmj n VAL 97 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1wmj n VAL 98 N 0.00 0.00 -0.72 2.52 0.31 -1.26 -4.44 118.33 114.74 1wmj n VAL 98 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1wmj n VAL 98 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1wmj n VAL 98 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wmj n GLY 99 N -0.13 2.81 0.08 2.92 0.00 0.33 -3.11 105.19 108.09 1wmj n GLY 99 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1wmj n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmj n ALA 100 N 1.77 1.16 -3.99 4.61 0.00 -1.26 -4.79 120.51 118.02 1wmj n ALA 100 Ca 0.18 -0.33 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 1wmj n ALA 100 Cb 0.65 -0.05 -0.16 0.00 0.00 0.00 0.00 19.45 19.90 1wmj n ALA 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wmj s ARG 101 N 0.00 1.97 0.00 0.00 3.00 -1.18 -4.97 118.95 117.77 1wmj s ARG 101 Ca 0.00 -0.81 0.20 0.00 0.00 0.00 0.00 55.73 55.12 1wmj s ARG 101 Cb 0.00 -2.38 0.97 0.00 0.00 0.00 0.00 34.95 33.54 1wmj s ARG 101 CO 0.00 -0.43 1.66 1.17 0.00 0.00 0.00 175.30 177.70 1wmj n LYS 102 N 4.70 1.36 0.00 3.54 0.00 -1.26 -2.70 118.16 123.81 1wmj n LYS 102 Ca -0.14 -0.55 0.00 0.00 0.00 0.00 0.00 58.31 57.62 1wmj n LYS 102 Cb 0.47 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 34.14 1wmj n LYS 102 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1wmj n ASP 103 N -0.24 0.23 -0.00 3.14 -0.08 -1.26 -4.66 116.55 113.67 1wmj n ASP 103 Ca 0.15 -0.58 0.06 0.00 -1.51 0.00 0.00 54.79 52.92 1wmj n ASP 103 Cb 0.20 0.61 -0.09 0.00 2.34 0.00 0.00 41.12 44.18 1wmj n ASP 103 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1wmj n ASP 104 N -0.61 1.69 0.00 1.67 2.03 -1.21 -4.35 116.55 115.76 1wmj n ASP 104 Ca 0.00 -0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1wmj n ASP 104 Cb 0.01 1.45 0.00 0.00 -0.72 0.00 0.00 41.12 41.86 1wmj n ASP 104 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1wmj n LEU 105 N -1.79 1.19 0.29 -2.67 7.94 -1.10 -2.92 117.00 117.93 1wmj n LEU 105 Ca -0.01 0.31 0.10 0.00 -1.11 0.00 0.00 56.01 55.30 1wmj n LEU 105 Cb 0.30 -0.30 0.53 0.00 0.53 0.00 0.00 43.42 44.49 1wmj n LEU 105 CO 0.27 -0.30 1.01 0.06 -1.11 0.00 0.00 177.39 177.32 1wmj h GLN 106 N 0.00 0.00 0.05 1.96 -0.00 -1.84 0.83 115.11 116.11 1wmj h GLN 106 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.41 1wmj h GLN 106 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 1wmj h GLN 106 CO 0.00 0.00 -1.09 -0.97 -0.00 0.00 0.00 178.83 176.77 1wmj h ASN 107 N 0.00 0.19 0.31 0.06 -1.24 -1.76 -3.13 115.58 110.01 1wmj h ASN 107 Ca 0.00 -0.20 -0.33 0.00 0.71 0.00 0.00 56.30 56.48 1wmj h ASN 107 Cb 0.91 -0.06 0.01 0.00 0.73 0.00 0.00 38.32 39.91 1wmj h ASN 107 CO 0.00 1.15 -1.62 0.74 -1.29 0.00 0.00 177.43 176.40 1wmj h THR 108 N 0.04 1.08 0.00 -3.57 2.02 0.76 -3.27 112.91 109.96 1wmj h THR 108 Ca -0.06 -2.66 -0.02 0.00 0.77 0.00 0.00 66.41 64.44 1wmj h THR 108 Cb 1.84 2.81 -0.00 0.00 -1.74 0.00 0.00 68.15 71.05 1wmj h THR 108 CO 0.16 0.84 -0.09 0.40 0.37 0.00 0.00 175.52 177.19 1wmj h ILE 109 N 0.10 0.58 0.00 3.11 5.03 -1.36 -1.59 117.51 123.37 1wmj h ILE 109 Ca -0.29 -0.41 -0.19 0.00 -0.12 0.00 0.00 64.86 63.85 1wmj h ILE 109 Cb 2.08 1.26 -0.03 0.00 -3.03 0.00 0.00 36.82 37.10 1wmj h ILE 109 CO 0.19 0.09 -0.92 -0.37 -0.68 0.00 0.00 178.15 176.46 1wmj h VAL 110 N 0.00 1.64 0.00 1.67 -1.51 -1.63 1.07 116.25 117.49 1wmj h VAL 110 Ca -0.00 -3.16 -0.18 0.00 -1.23 0.00 0.00 66.70 62.13 1wmj h VAL 110 Cb 0.25 2.72 -0.03 0.00 -2.13 0.00 0.00 31.29 32.10 1wmj h VAL 110 CO 0.01 0.90 -0.86 0.07 -1.23 0.00 0.00 177.57 176.46 1wmj h LYS 111 N 0.00 0.00 0.00 5.19 2.10 -1.39 0.35 116.57 122.83 1wmj h LYS 111 Ca -0.01 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 58.21 1wmj h LYS 111 Cb 1.64 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.90 1wmj h LYS 111 CO 0.12 0.79 -2.48 0.72 -2.00 0.00 0.00 179.45 176.61 1wmj n HIS 112 N -3.29 0.00 -0.05 0.07 8.25 -0.68 -4.15 115.22 115.37 1wmj n HIS 112 Ca -0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1wmj n HIS 112 Cb 0.87 -0.96 -0.15 0.00 1.12 0.00 0.00 29.99 30.88 1wmj n HIS 112 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1wmj n VAL 113 N -3.98 1.44 1.06 1.59 0.31 0.33 -4.11 118.33 114.97 1wmj n VAL 113 Ca -0.51 -0.81 0.14 0.00 -0.01 0.00 0.00 64.34 63.15 1wmj n VAL 113 Cb 0.89 -0.74 0.64 0.00 -0.91 0.00 0.00 33.84 33.72 1wmj n VAL 113 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wmj n GLY 114 N 1.62 -1.47 4.00 2.92 0.00 0.98 -4.80 105.19 108.45 1wmj n GLY 114 Ca -0.23 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 1wmj n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmj n ALA 115 N -1.47 -1.02 0.00 4.61 0.00 -0.23 -4.29 120.51 118.11 1wmj n ALA 115 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1wmj n ALA 115 Cb 0.33 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1wmj n ALA 115 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wmj n THR 116 N -3.46 0.00 -1.37 0.00 -1.04 -1.06 -5.06 114.28 102.30 1wmj n THR 116 Ca 0.10 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.27 1wmj n THR 116 Cb 0.38 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.81 1wmj n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wmj n ALA 117 N -0.97 -3.58 0.01 2.41 0.00 -0.58 -4.91 120.51 112.89 1wmj n ALA 117 Ca 0.00 0.82 -0.01 0.00 0.00 0.00 0.00 53.44 54.25 1wmj n ALA 117 Cb 0.00 -1.48 -0.00 0.00 0.00 0.00 0.00 19.45 17.97 1wmj n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj n ALA 118 N -4.06 2.41 -3.66 0.00 0.00 -1.26 -4.94 120.51 109.00 1wmj n ALA 118 Ca -0.08 -0.13 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 1wmj n ALA 118 Cb 0.63 0.11 -0.08 0.00 0.00 0.00 0.00 19.45 20.11 1wmj n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wmj s SER 119 N -5.42 5.48 0.41 0.00 0.15 -1.26 -5.07 113.70 107.99 1wmj s SER 119 Ca -0.04 -2.88 -0.26 0.00 0.70 0.00 0.00 55.95 53.48 1wmj s SER 119 Cb 0.01 -1.91 -0.09 0.00 -1.71 0.00 0.00 66.02 62.32 1wmj s SER 119 CO 0.05 -0.39 1.32 0.00 1.20 0.00 0.00 173.24 175.42 1wmj s ALA 120 N -0.10 3.27 0.00 5.45 0.00 -1.26 -3.55 121.76 125.57 1wmj s ALA 120 Ca 0.18 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1wmj s ALA 120 Cb -0.18 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1wmj s ALA 120 CO -0.04 -0.86 0.00 0.45 0.00 0.00 0.00 175.76 175.31 1wmj n SER 121 N 0.11 0.00 0.00 0.00 2.88 -1.26 -5.27 113.62 110.08 1wmj n SER 121 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1wmj n SER 121 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1wmj n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81