#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 -1.72 3.04 0.00 -1.26 -4.82 120.51 115.75 1wmj n ALA 2 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 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 5.30 -2.90 -3.12 0.00 0.00 -1.26 -4.69 120.51 113.84 1wmj n ALA 3 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 53.44 53.61 1wmj n ALA 3 Cb 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.52 -0.73 0.00 0.00 2.13 -1.26 -5.01 120.64 115.25 1wmj n GLU 4 Ca 0.02 1.06 0.00 0.00 0.66 0.00 0.00 57.16 58.90 1wmj n GLU 4 Cb 0.11 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.21 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 1.22 3.68 -0.26 5.31 -0.58 -1.26 -4.94 120.64 123.80 1wmj n GLU 5 Ca -0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1wmj n GLU 5 Cb 0.43 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.36 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 2.27 3.97 0.62 0.00 -1.26 -4.83 105.19 110.95 1wmj n GLY 6 Ca 0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 1wmj n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wmj s VAL 7 N -1.07 2.17 -0.83 1.61 -7.23 -1.26 -3.53 120.40 110.27 1wmj s VAL 7 Ca 0.13 -1.20 -0.22 0.00 -1.81 0.00 0.00 61.98 58.88 1wmj s VAL 7 Cb 0.11 -2.38 -0.20 0.00 0.56 0.00 0.00 36.38 34.47 1wmj s VAL 7 CO 0.03 0.00 2.41 1.33 -0.31 0.00 0.00 175.10 178.56 1wmj n VAL 8 N -1.94 -0.02 -0.85 1.32 0.24 -1.24 -4.83 118.33 111.01 1wmj n VAL 8 Ca 0.08 -0.46 -0.34 0.00 -2.04 0.00 0.00 64.34 61.58 1wmj n VAL 8 Cb 0.62 -1.28 0.08 0.00 -1.47 0.00 0.00 33.84 31.79 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 7.42 0.00 -3.34 1.34 2.08 -1.25 -4.38 119.36 121.23 1wmj n ILE 9 Ca 0.55 -0.10 -0.25 0.00 0.56 0.00 0.00 62.75 63.51 1wmj n ILE 9 Cb 0.29 -0.23 -0.09 0.00 -0.75 0.00 0.00 39.64 38.86 1wmj n ILE 9 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wmj s ALA 10 N -2.08 0.91 0.00 -1.39 0.00 -1.26 0.16 121.76 118.10 1wmj s ALA 10 Ca 0.41 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1wmj s ALA 10 Cb 0.02 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1wmj s ALA 10 CO 0.61 -2.02 0.02 0.00 0.00 0.00 0.00 175.76 174.36 1wmj n HIS 12 N -0.02 0.00 -1.63 0.00 8.25 -1.25 -4.70 115.22 115.86 1wmj n HIS 12 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1wmj n HIS 12 Cb 0.00 -1.97 0.00 0.00 1.12 0.00 0.00 29.99 29.14 1wmj n HIS 12 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1wmj n ASN 13 N -0.29 0.00 0.00 0.41 5.15 -1.26 -4.76 115.26 114.51 1wmj n ASN 13 Ca -0.08 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 1wmj n ASN 13 Cb 0.39 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 1wmj n ASN 13 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1wmj n LYS 14 N 0.00 0.00 -0.35 1.20 4.81 -1.26 -4.17 118.16 118.38 1wmj n LYS 14 Ca 0.00 0.00 0.29 0.00 -0.87 0.00 0.00 58.31 57.73 1wmj n LYS 14 Cb 0.50 0.00 0.47 0.00 0.02 0.00 0.00 35.03 36.02 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 0.75 0.10 0.02 3.14 2.03 -1.26 0.28 116.55 121.61 1wmj n ASP 15 Ca 0.00 0.84 -0.22 0.00 0.52 0.00 0.00 54.79 55.94 1wmj n ASP 15 Cb 0.00 -0.42 -0.14 0.00 -0.72 0.00 0.00 41.12 39.84 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 0.29 -0.76 -0.67 5.08 -1.91 -3.35 114.58 113.26 1wmj h GLU 16 Ca 0.59 -0.50 0.19 0.00 -1.00 0.00 0.00 59.36 58.64 1wmj h GLU 16 Cb 2.04 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 31.44 1wmj h GLU 16 CO -0.23 1.23 0.52 0.35 -1.00 0.00 0.00 179.01 179.89 1wmj h PHE 17 N 0.08 0.27 -0.14 4.33 3.04 0.36 0.18 116.94 125.07 1wmj h PHE 17 Ca -0.40 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.41 1wmj h PHE 17 Cb 2.05 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 40.47 1wmj h PHE 17 CO 0.08 0.09 -0.52 -0.44 -2.02 0.00 0.00 178.31 175.50 1wmj h ASP 18 N 0.22 0.42 -0.34 0.41 3.32 -1.34 -1.42 116.42 117.69 1wmj h ASP 18 Ca 0.37 -0.22 0.10 0.00 0.02 0.00 0.00 57.03 57.31 1wmj h ASP 18 Cb 1.14 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1wmj h ASP 18 CO -0.08 0.87 0.26 0.00 -1.72 0.00 0.00 179.24 178.57 1wmj h ALA 19 N 1.14 2.25 0.00 3.45 0.00 -0.78 -1.15 119.26 124.18 1wmj h ALA 19 Ca 0.01 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1wmj h ALA 19 Cb 1.02 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1wmj h ALA 19 CO 0.09 -0.44 -1.60 1.04 0.00 0.00 0.00 179.25 178.34 1wmj n GLN 20 N -4.30 0.55 0.03 0.00 3.00 -1.11 -3.38 117.38 112.18 1wmj n GLN 20 Ca 0.05 0.41 0.22 0.00 -0.01 0.00 0.00 57.00 57.67 1wmj n GLN 20 Cb 0.44 -1.60 0.65 0.00 0.00 0.00 0.00 30.24 29.72 1wmj n GLN 20 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 1wmj h MET 21 N -1.00 0.00 0.00 -1.09 4.05 -1.14 1.11 114.93 116.86 1wmj h MET 21 Ca -0.39 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 1wmj h MET 21 Cb 1.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 1wmj h MET 21 CO -0.24 0.00 -1.44 2.41 0.23 0.00 0.00 176.91 177.88 1wmj n THR 22 N -3.47 0.30 0.64 -0.77 -1.04 -0.45 -4.08 114.28 105.40 1wmj n THR 22 Ca 0.11 -0.49 -0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1wmj n THR 22 Cb 0.87 -0.12 0.06 0.00 -1.82 0.00 0.00 70.33 69.32 1wmj n THR 22 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1wmj n LYS 23 N -2.40 1.55 0.00 -2.82 5.02 0.38 -3.57 118.16 116.32 1wmj n LYS 23 Ca -0.01 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 1wmj n LYS 23 Cb 0.54 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 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 0.14 2.70 -0.22 7.82 0.00 -1.19 -4.19 120.51 125.57 1wmj n ALA 24 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1wmj n ALA 24 Cb 0.51 0.43 0.03 0.00 0.00 0.00 0.00 19.45 20.42 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 0.99 0.14 0.00 2.10 -1.75 0.85 116.57 118.89 1wmj h LYS 25 Ca 0.00 -0.24 -0.31 0.00 -2.00 0.00 0.00 60.65 58.10 1wmj h LYS 25 Cb 0.85 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1wmj h LYS 25 CO 0.00 0.91 -1.56 1.05 -2.00 0.00 0.00 179.45 177.85 1wmj h GLU 26 N 0.90 0.29 -0.10 0.07 4.11 -1.87 -3.34 114.58 114.64 1wmj h GLU 26 Ca 0.19 -0.50 -0.02 0.00 0.07 0.00 0.00 59.36 59.10 1wmj h GLU 26 Cb 0.37 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1wmj h GLU 26 CO 0.00 1.24 -0.05 0.00 0.07 0.00 0.00 179.01 180.27 1wmj h ALA 27 N 0.01 1.73 -0.33 1.06 0.00 -1.72 -3.47 119.26 116.54 1wmj h ALA 27 Ca -0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1wmj h ALA 27 Cb 1.88 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1wmj h ALA 27 CO 0.09 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1wmj n GLY 28 N -1.19 1.04 3.18 0.00 0.00 0.17 -5.00 105.19 103.38 1wmj n GLY 28 Ca -0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.60 0.88 0.76 1.61 -2.85 -0.45 -5.02 119.74 112.06 1wmj s LYS 29 Ca 0.00 -1.37 -0.11 0.00 -1.00 0.00 0.00 55.97 53.50 1wmj s LYS 29 Cb 0.00 -0.23 0.05 0.00 -2.06 0.00 0.00 37.83 35.59 1wmj s LYS 29 CO 0.00 -0.03 1.08 0.08 0.10 0.00 0.00 175.35 176.58 1wmj s VAL 30 N -3.62 3.50 0.00 1.79 1.01 -0.81 -4.37 120.40 117.90 1wmj s VAL 30 Ca 0.14 0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.64 1wmj s VAL 30 Cb 0.05 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1wmj s VAL 30 CO -0.03 -0.64 -0.08 -0.69 0.00 0.00 0.00 175.10 173.66 1wmj s VAL 31 N -2.96 3.55 -0.30 2.92 1.01 -1.23 -2.18 120.40 121.21 1wmj s VAL 31 Ca 0.60 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1wmj s VAL 31 Cb -0.16 -2.53 0.11 0.00 0.00 0.00 0.00 36.38 33.80 1wmj s VAL 31 CO 0.56 0.41 0.18 -0.63 0.00 0.00 0.00 175.10 175.61 1wmj s ILE 32 N -0.97 -0.11 -0.22 2.22 1.09 -1.26 -2.30 121.20 119.64 1wmj s ILE 32 Ca 0.16 -0.83 -0.11 0.00 -1.10 0.00 0.00 60.65 58.78 1wmj s ILE 32 Cb -0.11 -0.99 -0.05 0.00 -1.06 0.00 0.00 42.46 40.25 1wmj s ILE 32 CO 0.07 -0.71 0.16 -0.63 -0.10 0.00 0.00 174.94 173.73 1wmj s ILE 33 N 2.01 5.37 -0.78 2.92 1.09 0.11 -0.90 121.20 131.01 1wmj s ILE 33 Ca 0.10 0.21 -0.15 0.00 -1.10 0.00 0.00 60.65 59.71 1wmj s ILE 33 Cb -0.16 -3.50 0.20 0.00 -1.06 0.00 0.00 42.46 37.93 1wmj s ILE 33 CO -0.31 0.37 0.75 -0.62 -0.10 0.00 0.00 174.94 175.04 1wmj s ASP 34 N 0.81 6.65 0.33 3.58 2.15 0.24 -1.18 116.67 129.26 1wmj s ASP 34 Ca 0.08 -2.47 0.00 0.00 0.43 0.00 0.00 52.55 50.60 1wmj s ASP 34 Cb -0.13 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1wmj s ASP 34 CO 0.02 -0.67 0.00 0.49 -0.17 0.00 0.00 175.17 174.84 1wmj n PHE 35 N 4.44 -1.34 0.00 -5.34 3.72 -0.33 -0.73 117.46 117.88 1wmj n PHE 35 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1wmj n PHE 35 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 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 -1.42 0.00 -0.86 4.37 5.66 0.38 -3.87 114.28 118.53 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 -0.85 0.00 -0.17 1.79 0.00 -1.23 -1.03 120.51 119.02 1wmj n ALA 37 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1wmj n ALA 37 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1wmj n ALA 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wmj h SER 38 N -0.21 0.87 0.00 0.00 0.87 -1.94 -3.40 113.55 109.75 1wmj h SER 38 Ca 0.00 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.37 1wmj h SER 38 Cb 0.00 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1wmj h SER 38 CO 0.00 0.87 -0.40 0.79 -0.53 0.00 0.00 176.83 177.56 1wmj n TRP 39 N -4.24 0.00 -1.22 2.24 8.01 -1.26 -5.04 117.44 115.93 1wmj n TRP 39 Ca 0.04 0.00 -0.48 0.00 -1.31 0.00 0.00 57.50 55.75 1wmj n TRP 39 Cb 0.26 -0.05 -0.07 0.00 -2.01 0.00 0.00 31.31 29.44 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 2.23 1.92 0.08 0.00 0.00 -1.26 -3.52 105.19 104.65 1wmj n GLY 41 Ca 0.20 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 0.12 -6.34 1.61 0.13 -1.87 -3.46 132.00 122.19 1wmj h PRO 42 Ca 0.00 -0.07 -0.38 0.00 -0.87 0.00 0.00 66.00 64.68 1wmj h PRO 42 Cb 0.00 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 30.90 1wmj h PRO 42 CO 0.00 0.58 -0.56 0.00 -0.23 0.00 0.00 178.00 177.79 1wmj n ARG 44 N -3.46 0.00 -0.06 0.00 1.74 -1.26 -4.50 116.66 109.13 1wmj n ARG 44 Ca 0.07 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.01 1wmj n ARG 44 Cb 0.47 -0.11 -0.06 0.00 -1.02 0.00 0.00 32.46 31.73 1wmj n ARG 44 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1wmj h PHE 45 N 0.00 0.82 -0.56 -1.55 3.04 -2.01 -3.22 116.94 113.46 1wmj h PHE 45 Ca 0.00 -0.30 0.00 0.00 3.98 0.00 0.00 57.97 61.65 1wmj h PHE 45 Cb 0.08 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.44 1wmj h PHE 45 CO 0.00 1.07 0.00 1.51 -2.02 0.00 0.00 178.31 178.87 1wmj n ILE 46 N -4.21 1.02 0.13 1.41 3.06 -1.26 -4.59 119.36 114.92 1wmj n ILE 46 Ca -0.06 -1.01 -0.13 0.00 -2.50 0.00 0.00 62.75 59.05 1wmj n ILE 46 Cb 0.55 0.49 -0.06 0.00 0.54 0.00 0.00 39.64 41.16 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 3.30 -0.44 0.00 1.51 0.00 -1.78 -0.85 119.26 120.99 1wmj h ALA 47 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wmj h ALA 47 Cb 0.89 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wmj h ALA 47 CO 0.00 -0.79 0.00 -0.35 0.00 0.00 0.00 179.25 178.12 1wmj n PRO 48 N -5.36 0.49 -0.14 0.00 -0.04 -1.26 -2.93 135.00 125.76 1wmj n PRO 48 Ca -0.07 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.12 1wmj n PRO 48 Cb 0.27 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.77 1.50 0.00 0.52 0.31 -0.38 -4.03 118.33 115.48 1wmj n VAL 49 Ca 0.06 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1wmj n VAL 49 Cb 0.03 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 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 -4.01 0.00 -0.25 3.52 3.72 -0.88 -0.16 117.46 119.39 1wmj n PHE 50 Ca -0.52 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 56.91 1wmj n PHE 50 Cb 0.91 -0.42 0.12 0.00 -0.94 0.00 0.00 39.48 39.15 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 0.63 -0.21 4.37 0.00 -1.85 0.58 119.26 120.78 1wmj h ALA 51 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1wmj h ALA 51 Cb 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wmj h ALA 51 CO 0.00 -0.42 -0.01 1.05 0.00 0.00 0.00 179.25 179.87 1wmj h GLU 52 N 0.05 0.31 -0.15 0.00 4.11 -1.70 -2.77 114.58 114.44 1wmj h GLU 52 Ca 0.38 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 59.65 1wmj h GLU 52 Cb 0.62 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1wmj h GLU 52 CO -0.69 0.35 -0.30 1.88 0.07 0.00 0.00 179.01 180.32 1wmj h TYR 53 N 0.31 0.60 -0.97 2.06 -1.99 0.34 -2.64 116.97 114.67 1wmj h TYR 53 Ca 0.07 -0.21 0.32 0.00 2.00 0.00 0.00 58.73 60.91 1wmj h TYR 53 Cb 0.22 -0.11 -0.17 0.00 2.00 0.00 0.00 36.73 38.68 1wmj h TYR 53 CO 0.00 0.93 0.35 0.00 -0.00 0.00 0.00 178.16 179.44 1wmj h ALA 54 N 0.56 1.67 0.17 3.88 0.00 -0.46 0.35 119.26 125.43 1wmj h ALA 54 Ca 0.01 0.26 -0.29 0.00 0.00 0.00 0.00 54.91 54.88 1wmj h ALA 54 Cb 0.89 0.36 0.03 0.00 0.00 0.00 0.00 17.79 19.07 1wmj h ALA 54 CO 0.07 -0.67 -1.25 0.87 0.00 0.00 0.00 179.25 178.27 1wmj h LYS 55 N 0.12 0.55 -0.63 0.00 1.57 -1.59 -3.26 116.57 113.32 1wmj h LYS 55 Ca 0.69 -0.82 0.18 0.00 -1.87 0.00 0.00 60.65 58.84 1wmj h LYS 55 Cb 1.61 0.29 -0.03 0.00 0.08 0.00 0.00 32.23 34.18 1wmj h LYS 55 CO -0.75 1.38 0.45 0.87 -0.57 0.00 0.00 179.45 180.83 1wmj h LYS 56 N 0.13 0.01 -3.49 3.15 1.57 -0.01 -3.24 116.57 114.69 1wmj h LYS 56 Ca -0.20 -0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.89 1wmj h LYS 56 Cb 1.95 -0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.90 1wmj h LYS 56 CO 0.24 0.01 -0.36 -0.06 -0.57 0.00 0.00 179.45 178.71 1wmj s PHE 57 N -5.02 3.44 -1.84 -1.35 0.40 -0.15 -4.91 117.98 108.55 1wmj s PHE 57 Ca -0.05 -2.83 0.15 0.00 -0.60 0.00 0.00 56.93 53.60 1wmj s PHE 57 Cb 0.20 -3.15 0.87 0.00 0.51 0.00 0.00 43.02 41.46 1wmj s PHE 57 CO 0.74 -0.80 1.36 -0.35 0.70 0.00 0.00 175.22 176.86 1wmj n PRO 58 N 3.23 0.41 -0.65 0.24 -0.04 -1.23 -2.74 135.00 134.22 1wmj n PRO 58 Ca 0.10 0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.65 1wmj n PRO 58 Cb 0.37 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.03 2.57 3.37 0.55 0.00 -1.26 -4.91 105.19 105.47 1wmj n GLY 59 Ca 0.10 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.27 -0.16 -0.15 4.61 0.00 -1.11 -1.93 121.76 120.75 1wmj s ALA 60 Ca 0.39 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.61 1wmj s ALA 60 Cb 0.30 0.85 -0.23 0.00 0.00 0.00 0.00 23.12 24.04 1wmj s ALA 60 CO 0.11 -0.67 0.24 1.33 0.00 0.00 0.00 175.76 176.77 1wmj n VAL 61 N -0.23 1.63 -1.54 0.00 0.24 -0.93 -4.93 118.33 112.57 1wmj n VAL 61 Ca -0.08 -0.69 0.03 0.00 -2.04 0.00 0.00 64.34 61.56 1wmj n VAL 61 Cb 0.63 -1.37 -0.02 0.00 -1.47 0.00 0.00 33.84 31.62 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 -3.25 -3.99 0.00 6.34 3.01 -1.26 -4.63 117.46 113.68 1wmj n PHE 62 Ca -0.33 2.17 0.00 0.00 1.01 0.00 0.00 57.45 60.30 1wmj n PHE 62 Cb 1.05 -3.38 0.00 0.00 -0.01 0.00 0.00 39.48 37.14 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 -2.88 0.00 -4.36 4.37 7.94 -0.08 -3.83 117.00 118.16 1wmj n LEU 63 Ca -0.02 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.56 1wmj n LEU 63 Cb 0.49 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.29 1wmj n LEU 63 CO 0.01 0.00 -0.47 -0.75 -1.11 0.00 0.00 177.39 175.06 1wmj s LYS 64 N -1.83 3.12 0.32 1.96 2.20 0.41 0.82 119.74 126.74 1wmj s LYS 64 Ca 0.00 -0.73 0.10 0.00 -0.36 0.00 0.00 55.97 54.98 1wmj s LYS 64 Cb 0.00 -2.51 -0.06 0.00 -1.51 0.00 0.00 37.83 33.76 1wmj s LYS 64 CO 0.00 0.30 -0.10 0.54 -0.36 0.00 0.00 175.35 175.73 1wmj s VAL 65 N 0.10 2.49 -0.22 4.02 0.11 0.09 -0.75 120.40 126.24 1wmj s VAL 65 Ca -0.07 -2.19 0.02 0.00 -2.93 0.00 0.00 61.98 56.80 1wmj s VAL 65 Cb -0.15 -2.59 0.04 0.00 -1.53 0.00 0.00 36.38 32.15 1wmj s VAL 65 CO 0.05 -0.27 -0.15 -0.62 -3.33 0.00 0.00 175.10 170.78 1wmj s ASP 66 N -3.61 3.70 -0.01 3.54 -1.08 -1.26 -3.63 116.67 114.32 1wmj s ASP 66 Ca 0.32 -0.99 0.00 0.00 -0.52 0.00 0.00 52.55 51.36 1wmj s ASP 66 Cb -0.01 -1.47 0.01 0.00 -1.46 0.00 0.00 42.92 39.99 1wmj s ASP 66 CO 0.17 -0.10 1.49 1.33 0.52 0.00 0.00 175.17 178.59 1wmj n VAL 67 N 4.55 1.53 0.00 1.11 0.24 -0.20 -2.78 118.33 122.78 1wmj n VAL 67 Ca -0.17 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 1wmj n VAL 67 Cb 0.46 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 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 0.93 0.36 0.00 -1.34 2.03 -1.26 -4.45 116.55 112.82 1wmj n ASP 68 Ca 0.01 -0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.04 1wmj n ASP 68 Cb 0.52 0.64 0.00 0.00 -0.72 0.00 0.00 41.12 41.56 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 -0.68 0.43 -0.32 -0.67 0.28 -1.16 -4.83 120.64 113.68 1wmj n GLU 69 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.07 1wmj n GLU 69 Cb 0.00 -0.80 0.12 0.00 1.43 0.00 0.00 31.44 32.19 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 -1.97 1.93 -0.37 -1.84 -0.00 -1.12 -4.83 117.00 108.80 1wmj n LEU 70 Ca 0.00 -2.81 0.30 0.00 -0.00 0.00 0.00 56.01 53.49 1wmj n LEU 70 Cb 0.30 -0.35 0.48 0.00 -0.00 0.00 0.00 43.42 43.84 1wmj n LEU 70 CO 0.00 0.75 0.86 2.29 -0.00 0.00 0.00 177.39 181.29 1wmj n LYS 71 N -1.02 -0.01 -0.46 1.47 2.85 -1.23 0.01 118.16 119.77 1wmj n LYS 71 Ca 0.13 0.76 0.37 0.00 -1.05 0.00 0.00 58.31 58.52 1wmj n LYS 71 Cb 0.69 -1.60 0.57 0.00 -0.65 0.00 0.00 35.03 34.04 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 -3.66 0.00 0.03 -1.58 0.28 -1.26 0.25 120.64 114.70 1wmj n GLU 72 Ca 0.27 0.85 -0.19 0.00 -0.16 0.00 0.00 57.16 57.93 1wmj n GLU 72 Cb 1.13 -2.00 -0.14 0.00 1.43 0.00 0.00 31.44 31.86 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 1.54 -0.14 3.84 2.07 -0.82 -3.28 116.25 119.46 1wmj h VAL 73 Ca 0.65 -2.51 -0.07 0.00 0.82 0.00 0.00 66.70 65.59 1wmj h VAL 73 Cb 2.83 3.22 -0.01 0.00 -1.52 0.00 0.00 31.29 35.81 1wmj h VAL 73 CO -0.01 0.70 -0.21 0.00 0.02 0.00 0.00 177.57 178.08 1wmj h ALA 74 N 0.07 1.39 0.00 1.67 0.00 0.30 -2.14 119.26 120.55 1wmj h ALA 74 Ca -0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1wmj h ALA 74 Cb 1.55 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1wmj h ALA 74 CO 0.13 0.42 -0.10 0.93 0.00 0.00 0.00 179.25 180.63 1wmj h GLU 75 N 0.22 0.00 0.05 0.00 5.08 -1.07 1.05 114.58 119.91 1wmj h GLU 75 Ca 0.04 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.15 1wmj h GLU 75 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1wmj h GLU 75 CO 0.03 0.10 -1.20 1.57 -1.00 0.00 0.00 179.01 178.51 1wmj h LYS 76 N 0.00 0.11 0.00 2.33 2.10 -1.45 -3.31 116.57 116.36 1wmj h LYS 76 Ca -0.00 -0.19 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1wmj h LYS 76 Cb 0.34 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1wmj h LYS 76 CO 0.01 1.04 -1.40 0.66 -2.00 0.00 0.00 179.45 177.76 1wmj n TYR 77 N -3.39 0.25 -1.99 0.07 4.01 -0.87 -5.03 117.16 110.20 1wmj n TYR 77 Ca -0.06 0.07 -0.01 0.00 -0.16 0.00 0.00 57.90 57.74 1wmj n TYR 77 Cb 0.99 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 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 -2.14 -3.98 -0.55 7.72 4.05 0.36 -4.99 115.26 115.72 1wmj n ASN 78 Ca -0.00 0.08 0.06 0.00 0.45 0.00 0.00 54.58 55.17 1wmj n ASN 78 Cb 0.49 -2.47 0.08 0.00 1.23 0.00 0.00 39.78 39.11 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 -0.85 0.19 -1.96 3.44 0.24 -0.95 -4.96 118.33 113.48 1wmj n VAL 79 Ca 0.02 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 1wmj n VAL 79 Cb 0.33 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 1wmj n VAL 79 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1wmj n GLU 80 N 0.70 -2.37 -1.97 7.34 0.28 -1.26 -3.15 120.64 120.22 1wmj n GLU 80 Ca 0.08 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.07 1wmj n GLU 80 Cb 0.34 -3.75 -0.02 0.00 1.43 0.00 0.00 31.44 29.44 1wmj n GLU 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wmj n ALA 81 N -1.90 -2.96 0.00 -1.84 0.00 -1.26 -5.01 120.51 107.55 1wmj n ALA 81 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1wmj n ALA 81 Cb 0.35 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1wmj n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj n MET 82 N 1.02 0.00 0.00 0.00 3.85 -1.19 -4.44 117.12 116.37 1wmj n MET 82 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.57 1wmj n MET 82 Cb 0.20 0.00 0.00 0.00 -1.05 0.00 0.00 33.22 32.37 1wmj n MET 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1wmj n PRO 83 N -0.17 0.49 -1.68 3.17 -0.04 -1.25 0.14 135.00 135.65 1wmj n PRO 83 Ca 0.00 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 62.96 1wmj n PRO 83 Cb 0.00 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.36 0.45 -0.60 0.52 -1.04 -1.26 0.27 114.28 112.97 1wmj n THR 84 Ca 0.00 -0.08 -0.02 0.00 -2.04 0.00 0.00 64.05 61.90 1wmj n THR 84 Cb 0.15 -1.66 -0.04 0.00 -1.82 0.00 0.00 70.33 66.96 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 5.92 0.00 -0.87 -1.42 3.72 -1.25 -1.19 117.46 122.37 1wmj n PHE 85 Ca 0.23 -1.09 -0.29 0.00 -0.05 0.00 0.00 57.45 56.25 1wmj n PHE 85 Cb 0.25 -0.73 -0.01 0.00 -0.94 0.00 0.00 39.48 38.05 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 1.72 -1.05 -4.44 4.37 -0.00 -0.33 -4.20 117.00 113.07 1wmj n LEU 86 Ca 0.09 0.66 -0.27 0.00 -0.00 0.00 0.00 56.01 56.49 1wmj n LEU 86 Cb 0.58 -0.59 -0.12 0.00 -0.00 0.00 0.00 43.42 43.29 1wmj n LEU 86 CO 0.03 -2.08 -0.52 -0.36 -0.00 0.00 0.00 177.39 174.45 1wmj s PHE 87 N -0.74 2.37 -0.42 1.96 0.40 0.51 0.07 117.98 122.13 1wmj s PHE 87 Ca 0.40 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 56.45 1wmj s PHE 87 Cb -0.54 -1.20 0.21 0.00 0.51 0.00 0.00 43.02 42.00 1wmj s PHE 87 CO 0.36 0.46 0.44 -0.89 0.70 0.00 0.00 175.22 176.30 1wmj n ILE 88 N 0.40 -0.77 -2.58 0.64 2.08 -0.97 -2.44 119.36 115.72 1wmj n ILE 88 Ca -0.14 -3.80 -0.43 0.00 0.56 0.00 0.00 62.75 58.95 1wmj n ILE 88 Cb 0.55 -1.82 -0.02 0.00 -0.75 0.00 0.00 39.64 37.59 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 -0.64 4.32 0.00 0.38 2.20 -1.26 -2.94 119.74 121.80 1wmj s LYS 89 Ca 0.34 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.45 1wmj s LYS 89 Cb 0.10 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1wmj s LYS 89 CO -0.15 -0.51 0.00 -3.47 -0.36 0.00 0.00 175.35 170.86 1wmj n ASP 90 N 5.74 0.00 -0.06 1.43 -0.08 -1.26 -3.76 116.55 118.57 1wmj n ASP 90 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1wmj n ASP 90 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1wmj n ASP 90 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wmj n GLY 91 N -2.00 0.75 0.00 0.27 0.00 -1.15 -4.78 105.19 98.28 1wmj n GLY 91 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.14 0.74 -3.15 4.61 0.00 -1.25 -5.11 120.51 116.21 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 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 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 0.10 -0.05 0.00 2.12 -1.26 -4.72 118.70 114.89 1wmj s GLU 93 Ca 0.00 0.14 0.06 0.00 0.36 0.00 0.00 54.97 55.54 1wmj s GLU 93 Cb 0.00 0.07 -0.24 0.00 0.26 0.00 0.00 34.13 34.22 1wmj s GLU 93 CO 0.00 -0.14 0.64 0.00 -0.54 0.00 0.00 175.26 175.22 1wmj h ALA 94 N 7.66 0.63 0.00 6.30 0.00 -1.75 -3.45 119.26 128.65 1wmj h ALA 94 Ca -0.11 -1.39 0.00 0.00 0.00 0.00 0.00 54.91 53.41 1wmj h ALA 94 Cb 1.18 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1wmj h ALA 94 CO -0.16 1.47 0.00 -0.25 0.00 0.00 0.00 179.25 180.31 1wmj n ASP 95 N -3.20 0.00 -3.91 0.00 8.00 -1.25 -5.00 116.55 111.19 1wmj n ASP 95 Ca -0.19 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.07 1wmj n ASP 95 Cb 1.04 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 42.06 1wmj n ASP 95 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1wmj s LYS 96 N -1.92 1.85 0.00 -1.24 0.00 -1.26 0.19 119.74 117.36 1wmj s LYS 96 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 55.97 53.86 1wmj s LYS 96 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 37.83 37.52 1wmj s LYS 96 CO 0.00 -0.52 0.00 0.28 0.00 0.00 0.00 175.35 175.11 1wmj n VAL 97 N -0.80 0.00 0.00 1.79 0.31 -1.26 -4.90 118.33 113.47 1wmj n VAL 97 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1wmj n VAL 97 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 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 -0.79 2.52 0.31 -1.26 -4.48 118.33 114.63 1wmj n VAL 98 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1wmj n VAL 98 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 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 -0.32 3.28 0.13 2.92 0.00 0.75 -3.29 105.19 108.66 1wmj n GLY 99 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 1.18 1.25 -4.03 4.61 0.00 -1.26 -4.71 120.51 117.55 1wmj n ALA 100 Ca 0.20 -0.28 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 1wmj n ALA 100 Cb 0.59 -0.06 -0.16 0.00 0.00 0.00 0.00 19.45 19.82 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 2.30 -0.02 0.00 0.52 -1.21 -4.98 118.95 115.57 1wmj s ARG 101 Ca 0.00 -0.83 0.10 0.00 -0.52 0.00 0.00 55.73 54.48 1wmj s ARG 101 Cb 0.00 -2.42 0.32 0.00 0.52 0.00 0.00 34.95 33.37 1wmj s ARG 101 CO 0.00 -0.36 1.22 1.17 0.02 0.00 0.00 175.30 177.36 1wmj n LYS 102 N 4.67 1.99 0.00 3.54 0.00 -1.26 -2.87 118.16 124.23 1wmj n LYS 102 Ca -0.16 -1.28 0.00 0.00 0.00 0.00 0.00 58.31 56.86 1wmj n LYS 102 Cb 0.48 -1.38 0.00 0.00 0.00 0.00 0.00 35.03 34.13 1wmj n LYS 102 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1wmj n ASP 103 N 0.47 0.27 -0.04 3.14 5.75 -1.26 -4.80 116.55 120.08 1wmj n ASP 103 Ca 0.12 -0.70 -0.05 0.00 -0.01 0.00 0.00 54.79 54.15 1wmj n ASP 103 Cb 0.37 0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.57 1wmj n ASP 103 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1wmj n ASP 104 N -0.17 3.11 0.00 -1.12 2.03 -1.23 -4.38 116.55 114.79 1wmj n ASP 104 Ca 0.00 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1wmj n ASP 104 Cb 0.09 0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 -2.47 0.10 -0.27 -2.67 7.94 -1.14 -1.77 117.00 116.71 1wmj n LEU 105 Ca -0.15 0.80 0.25 0.00 -1.11 0.00 0.00 56.01 55.80 1wmj n LEU 105 Cb 0.73 -0.36 0.58 0.00 0.53 0.00 0.00 43.42 44.90 1wmj n LEU 105 CO 0.14 -0.36 1.24 0.06 -1.11 0.00 0.00 177.39 177.37 1wmj h GLN 106 N 0.00 0.26 0.00 1.96 -0.00 -1.87 0.71 115.11 116.18 1wmj h GLN 106 Ca 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 1wmj h GLN 106 Cb 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 27.42 1wmj h GLN 106 CO 0.00 0.17 -0.17 -0.97 -0.00 0.00 0.00 178.83 177.86 1wmj h ASN 107 N 0.27 0.00 0.05 0.06 -1.24 -1.75 -2.34 115.58 110.64 1wmj h ASN 107 Ca 0.52 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 57.32 1wmj h ASN 107 Cb 1.55 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.59 1wmj h ASN 107 CO -0.17 0.17 -1.15 0.74 -1.29 0.00 0.00 177.43 175.74 1wmj h THR 108 N 0.00 1.09 -0.36 -3.57 2.02 0.12 -3.27 112.91 108.94 1wmj h THR 108 Ca -0.00 -2.30 0.10 0.00 0.77 0.00 0.00 66.41 64.98 1wmj h THR 108 Cb 0.37 2.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 1wmj h THR 108 CO 0.02 0.55 0.30 0.40 0.37 0.00 0.00 175.52 177.16 1wmj h ILE 109 N -0.67 0.63 0.00 3.11 5.03 -1.14 0.21 117.51 124.68 1wmj h ILE 109 Ca -0.28 0.00 -0.15 0.00 -0.12 0.00 0.00 64.86 64.31 1wmj h ILE 109 Cb 1.47 0.78 -0.02 0.00 -3.03 0.00 0.00 36.82 36.02 1wmj h ILE 109 CO -0.05 0.00 -0.71 -0.37 -0.68 0.00 0.00 178.15 176.33 1wmj h VAL 110 N 0.00 1.29 0.00 1.67 -1.51 -1.55 1.11 116.25 117.26 1wmj h VAL 110 Ca 0.17 -2.66 -0.18 0.00 -1.23 0.00 0.00 66.70 62.80 1wmj h VAL 110 Cb 0.78 2.53 -0.03 0.00 -2.13 0.00 0.00 31.29 32.44 1wmj h VAL 110 CO -0.00 0.70 -0.98 0.07 -1.23 0.00 0.00 177.57 176.13 1wmj h LYS 111 N 0.00 0.00 0.00 5.19 2.10 -0.73 0.38 116.57 123.51 1wmj h LYS 111 Ca -0.01 0.00 -0.41 0.00 -2.00 0.00 0.00 60.65 58.23 1wmj h LYS 111 Cb 1.47 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.74 1wmj h LYS 111 CO 0.09 0.66 -2.42 0.72 -2.00 0.00 0.00 179.45 176.50 1wmj n HIS 112 N -3.20 0.00 -0.06 0.07 8.25 -0.21 -3.96 115.22 116.10 1wmj n HIS 112 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 1wmj n HIS 112 Cb 0.87 -0.93 -0.15 0.00 1.12 0.00 0.00 29.99 30.90 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 -3.85 1.51 0.92 1.59 0.31 0.34 -4.19 118.33 114.96 1wmj n VAL 113 Ca -0.48 -0.81 0.13 0.00 -0.01 0.00 0.00 64.34 63.16 1wmj n VAL 113 Cb 0.89 -0.80 0.40 0.00 -0.91 0.00 0.00 33.84 33.42 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 1.69 -1.40 2.55 2.92 0.00 0.10 -4.79 105.19 106.26 1wmj n GLY 114 Ca -0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.56 -2.21 -1.05 4.61 0.00 0.12 -4.77 120.51 115.65 1wmj n ALA 115 Ca 0.06 1.00 0.00 0.00 0.00 0.00 0.00 53.44 54.50 1wmj n ALA 115 Cb 0.36 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 2.00 -0.70 0.00 0.00 -1.04 -1.24 -4.92 114.28 108.37 1wmj n THR 116 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1wmj n THR 116 Cb 0.24 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.56 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 -0.96 0.00 0.23 2.41 0.00 -1.22 -4.85 120.51 116.12 1wmj n ALA 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wmj n ALA 117 Cb 0.35 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.91 0.00 -3.61 0.00 0.00 -1.26 -4.85 120.51 109.88 1wmj n ALA 118 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1wmj n ALA 118 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.98 -0.15 0.01 0.00 0.15 -1.26 -5.17 113.70 105.30 1wmj s SER 119 Ca 0.00 0.12 0.09 0.00 0.70 0.00 0.00 55.95 56.86 1wmj s SER 119 Cb 0.00 0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.42 1wmj s SER 119 CO 0.00 -0.17 -0.26 0.00 1.20 0.00 0.00 173.24 174.01 1wmj s ALA 120 N -1.44 2.19 -0.38 5.45 0.00 -1.26 -5.07 121.76 121.25 1wmj s ALA 120 Ca 0.06 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 1wmj s ALA 120 Cb -0.01 -0.51 0.22 0.00 0.00 0.00 0.00 23.12 22.83 1wmj s ALA 120 CO -0.05 0.53 1.06 0.43 0.00 0.00 0.00 175.76 177.73 1wmj n SER 121 N 2.10 -1.84 0.00 0.00 7.64 -1.26 -5.31 113.62 114.96 1wmj n SER 121 Ca -0.16 -1.56 0.00 0.00 1.01 0.00 0.00 58.87 58.15 1wmj n SER 121 Cb 0.52 0.96 0.00 0.00 -1.01 0.00 0.00 64.21 64.68 1wmj n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03