#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmj h ALA 2 N 0.00 1.00 -5.97 3.04 0.00 -2.09 -3.46 119.26 111.78 1wmj h ALA 2 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.47 1wmj h ALA 2 Cb 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.53 1wmj h ALA 2 CO 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 179.25 178.61 1wmj n ALA 3 N -1.92 -0.92 -2.72 0.00 0.00 -1.26 -2.40 120.51 111.29 1wmj n ALA 3 Ca 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 1wmj n ALA 3 Cb 0.37 -1.64 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 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 -3.02 -3.56 -0.05 0.00 2.13 -1.26 -5.05 120.64 109.83 1wmj n GLU 4 Ca 0.05 2.83 0.00 0.00 0.66 0.00 0.00 57.16 60.70 1wmj n GLU 4 Cb 0.33 -5.16 0.00 0.00 0.27 0.00 0.00 31.44 26.88 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 0.89 1.90 -0.12 5.31 -0.58 -1.01 -4.93 120.64 122.10 1wmj n GLU 5 Ca -0.06 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.65 1wmj n GLU 5 Cb 0.12 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.01 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 2.22 3.90 0.62 0.00 -1.26 -4.83 105.19 110.84 1wmj n GLY 6 Ca 0.00 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.39 1.88 -0.80 1.61 -7.23 -1.26 -3.72 120.40 110.49 1wmj s VAL 7 Ca 0.06 -1.43 -0.24 0.00 -1.81 0.00 0.00 61.98 58.55 1wmj s VAL 7 Cb 0.05 -2.32 -0.18 0.00 0.56 0.00 0.00 36.38 34.49 1wmj s VAL 7 CO 0.01 0.00 2.45 1.33 -0.31 0.00 0.00 175.10 178.58 1wmj n VAL 8 N -1.75 -0.03 -0.92 1.32 0.24 -1.24 -4.83 118.33 111.12 1wmj n VAL 8 Ca 0.01 -0.45 -0.37 0.00 -2.04 0.00 0.00 64.34 61.49 1wmj n VAL 8 Cb 0.64 -1.44 0.06 0.00 -1.47 0.00 0.00 33.84 31.63 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 7.55 0.00 -3.28 1.34 2.08 -1.26 -4.35 119.36 121.44 1wmj n ILE 9 Ca 0.53 -0.15 -0.25 0.00 0.56 0.00 0.00 62.75 63.44 1wmj n ILE 9 Cb 0.30 -0.15 -0.08 0.00 -0.75 0.00 0.00 39.64 38.95 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 -3.52 2.64 -0.65 -1.39 0.00 -1.26 0.21 120.51 116.55 1wmj n ALA 10 Ca -0.01 -3.30 -0.23 0.00 0.00 0.00 0.00 53.44 49.90 1wmj n ALA 10 Cb 0.69 -0.79 0.13 0.00 0.00 0.00 0.00 19.45 19.48 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 -4.18 -0.00 0.00 0.00 -0.00 -1.26 -4.65 115.22 105.12 1wmj n HIS 12 Ca 0.03 -0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1wmj n HIS 12 Cb 0.45 0.27 0.00 0.00 -0.12 0.00 0.00 29.99 30.59 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 -0.00 0.00 0.00 0.26 2.04 -1.26 -4.97 115.26 111.33 1wmj n ASN 13 Ca -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.13 1wmj n ASN 13 Cb 0.27 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.52 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 -0.25 -3.83 4.81 -1.26 -4.29 118.16 113.34 1wmj n LYS 14 Ca 0.00 0.00 0.22 0.00 -0.87 0.00 0.00 58.31 57.66 1wmj n LYS 14 Cb 0.00 0.00 0.38 0.00 0.02 0.00 0.00 35.03 35.43 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 1.02 0.15 0.05 3.14 2.03 -1.26 0.30 116.55 121.98 1wmj n ASP 15 Ca 0.00 0.85 -0.21 0.00 0.52 0.00 0.00 54.79 55.95 1wmj n ASP 15 Cb 0.00 -0.42 -0.15 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 0.32 -0.79 -0.67 5.08 -1.97 -3.13 114.58 113.42 1wmj h GLU 16 Ca 0.50 -0.54 0.15 0.00 -1.00 0.00 0.00 59.36 58.47 1wmj h GLU 16 Cb 1.54 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 30.89 1wmj h GLU 16 CO -0.32 1.26 0.34 0.27 -1.00 0.00 0.00 179.01 179.56 1wmj h PHE 17 N -0.30 0.58 -0.21 4.33 -0.00 0.42 0.57 116.94 122.34 1wmj h PHE 17 Ca -0.18 0.04 -0.11 0.00 -0.00 0.00 0.00 57.97 57.71 1wmj h PHE 17 Cb 1.72 -0.14 -0.01 0.00 -0.00 0.00 0.00 35.95 37.52 1wmj h PHE 17 CO 0.18 0.09 -0.36 -0.44 -0.00 0.00 0.00 178.31 177.78 1wmj h ASP 18 N 0.49 0.46 -0.09 -0.68 3.32 -1.36 -2.84 116.42 115.71 1wmj h ASP 18 Ca 0.43 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.33 1wmj h ASP 18 Cb 0.66 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1wmj h ASP 18 CO -0.40 0.78 0.70 0.00 -1.72 0.00 0.00 179.24 178.60 1wmj h ALA 19 N 1.25 1.78 0.00 3.45 0.00 -0.82 -0.78 119.26 124.15 1wmj h ALA 19 Ca 0.04 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.66 1wmj h ALA 19 Cb 0.80 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1wmj h ALA 19 CO 0.06 -0.74 -1.93 1.04 0.00 0.00 0.00 179.25 177.68 1wmj n GLN 20 N -2.78 0.44 0.23 0.00 3.00 -1.09 -4.01 117.38 113.19 1wmj n GLN 20 Ca 0.01 0.19 0.14 0.00 -0.01 0.00 0.00 57.00 57.33 1wmj n GLN 20 Cb 0.75 -1.25 0.55 0.00 0.00 0.00 0.00 30.24 30.29 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 -0.77 0.00 0.00 -1.09 4.05 -1.13 1.26 114.93 117.26 1wmj h MET 21 Ca -0.44 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 58.85 1wmj h MET 21 Cb 1.34 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.12 1wmj h MET 21 CO -0.27 0.00 -1.59 2.41 0.23 0.00 0.00 176.91 177.69 1wmj n THR 22 N -2.97 0.84 0.66 -0.77 -1.04 -0.40 -4.02 114.28 106.58 1wmj n THR 22 Ca 0.03 -0.64 0.01 0.00 -2.04 0.00 0.00 64.05 61.40 1wmj n THR 22 Cb 0.71 -0.46 0.07 0.00 -1.82 0.00 0.00 70.33 68.83 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 -2.69 1.65 0.00 -2.82 5.02 0.43 -3.60 118.16 116.16 1wmj n LYS 23 Ca -0.10 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.63 1wmj n LYS 23 Cb 0.76 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 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 0.12 2.43 -0.06 7.82 0.00 -1.17 -4.30 120.51 125.35 1wmj n ALA 24 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1wmj n ALA 24 Cb 0.45 0.46 -0.05 0.00 0.00 0.00 0.00 19.45 20.31 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 0.31 -0.04 0.00 2.10 -1.72 0.20 116.57 117.42 1wmj h LYS 25 Ca 0.00 -0.08 -0.13 0.00 -2.00 0.00 0.00 60.65 58.44 1wmj h LYS 25 Cb 0.92 -0.04 0.01 0.00 -0.90 0.00 0.00 32.23 32.23 1wmj h LYS 25 CO 0.00 0.46 -0.46 1.05 -2.00 0.00 0.00 179.45 178.50 1wmj h GLU 26 N 0.10 0.39 0.00 0.07 4.11 -1.87 -3.20 114.58 114.18 1wmj h GLU 26 Ca 0.06 -0.36 -0.03 0.00 0.07 0.00 0.00 59.36 59.10 1wmj h GLU 26 Cb 0.30 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1wmj h GLU 26 CO 0.00 1.02 -0.14 0.00 0.07 0.00 0.00 179.01 179.96 1wmj h ALA 27 N 0.38 1.54 -0.15 1.06 0.00 -1.74 -3.46 119.26 116.88 1wmj h ALA 27 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wmj h ALA 27 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1wmj h ALA 27 CO 0.09 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1wmj n GLY 28 N -0.93 0.89 3.44 0.00 0.00 0.46 -5.02 105.19 104.03 1wmj n GLY 28 Ca -0.02 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.17 1.58 0.67 1.61 -2.85 0.22 -5.03 119.74 112.77 1wmj s LYS 29 Ca 0.00 -1.81 -0.11 0.00 -1.00 0.00 0.00 55.97 53.05 1wmj s LYS 29 Cb 0.00 -1.19 -0.01 0.00 -2.06 0.00 0.00 37.83 34.57 1wmj s LYS 29 CO 0.00 0.03 1.05 0.08 0.10 0.00 0.00 175.35 176.62 1wmj s VAL 30 N -2.99 4.22 0.08 1.79 1.01 -0.92 -4.33 120.40 119.26 1wmj s VAL 30 Ca 0.30 0.72 0.07 0.00 0.00 0.00 0.00 61.98 63.07 1wmj s VAL 30 Cb 0.04 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1wmj s VAL 30 CO 0.12 -0.94 -0.12 -0.69 0.00 0.00 0.00 175.10 173.47 1wmj s VAL 31 N -3.17 3.25 -0.32 2.92 1.01 -1.21 -2.03 120.40 120.85 1wmj s VAL 31 Ca 0.57 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1wmj s VAL 31 Cb -0.12 -2.48 0.13 0.00 0.00 0.00 0.00 36.38 33.91 1wmj s VAL 31 CO 0.54 0.18 0.24 -0.63 0.00 0.00 0.00 175.10 175.43 1wmj s ILE 32 N -1.13 -0.15 -0.16 2.22 1.09 -1.26 -2.58 121.20 119.22 1wmj s ILE 32 Ca 0.19 -0.97 -0.14 0.00 -1.10 0.00 0.00 60.65 58.63 1wmj s ILE 32 Cb -0.11 -0.96 -0.05 0.00 -1.06 0.00 0.00 42.46 40.28 1wmj s ILE 32 CO 0.11 -0.71 0.31 -0.63 -0.10 0.00 0.00 174.94 173.93 1wmj s ILE 33 N 1.79 5.29 -0.69 2.92 1.09 0.13 -0.93 121.20 130.80 1wmj s ILE 33 Ca 0.13 0.59 -0.09 0.00 -1.10 0.00 0.00 60.65 60.17 1wmj s ILE 33 Cb -0.17 -3.65 0.18 0.00 -1.06 0.00 0.00 42.46 37.75 1wmj s ILE 33 CO -0.20 0.37 0.58 -0.62 -0.10 0.00 0.00 174.94 174.96 1wmj s ASP 34 N 0.55 6.04 0.49 3.58 2.15 0.24 -0.74 116.67 128.98 1wmj s ASP 34 Ca 0.17 -2.59 0.00 0.00 0.43 0.00 0.00 52.55 50.56 1wmj s ASP 34 Cb -0.13 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1wmj s ASP 34 CO 0.05 -0.53 0.00 0.49 -0.17 0.00 0.00 175.17 175.00 1wmj n PHE 35 N 4.00 -1.55 0.00 -5.34 3.72 0.49 -1.21 117.46 117.57 1wmj n PHE 35 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 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 -1.83 0.00 -4.42 4.37 5.66 0.71 -4.00 114.28 114.77 1wmj n THR 36 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 1wmj n THR 36 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 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 -0.59 0.52 -3.42 1.79 0.00 -1.26 -1.00 120.51 116.55 1wmj n ALA 37 Ca 0.00 -1.82 -0.35 0.00 0.00 0.00 0.00 53.44 51.27 1wmj n ALA 37 Cb 0.00 1.24 0.03 0.00 0.00 0.00 0.00 19.45 20.73 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 -1.61 -5.01 -1.08 0.00 7.64 -1.26 0.15 113.62 112.45 1wmj n SER 38 Ca -0.04 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1wmj n SER 38 Cb 0.54 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1wmj n SER 38 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1wmj n TRP 39 N -0.55 -1.03 -1.07 1.43 2.14 -1.26 -4.36 117.44 112.74 1wmj n TRP 39 Ca -0.12 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.51 1wmj n TRP 39 Cb 0.65 -0.93 -0.02 0.00 -0.81 0.00 0.00 31.31 30.20 1wmj n TRP 39 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1wmj n GLY 41 N -1.93 0.82 0.13 0.00 0.00 -1.26 -4.89 105.19 98.06 1wmj n GLY 41 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.22 -6.19 1.61 0.13 -1.94 -3.46 132.00 121.93 1wmj h PRO 42 Ca 0.00 0.01 -0.48 0.00 -0.87 0.00 0.00 66.00 64.67 1wmj h PRO 42 Cb 0.00 0.05 -0.29 0.00 0.13 0.00 0.00 31.00 30.89 1wmj h PRO 42 CO 0.00 0.19 -0.69 0.00 -0.23 0.00 0.00 178.00 177.27 1wmj n ARG 44 N -3.20 0.00 -0.03 0.00 1.74 -1.26 -4.72 116.66 109.18 1wmj n ARG 44 Ca 0.08 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.05 1wmj n ARG 44 Cb 0.34 0.00 -0.05 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 0.22 -0.66 -1.55 3.57 -2.00 -2.98 116.94 113.55 1wmj h PHE 45 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1wmj h PHE 45 Cb 0.00 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1wmj h PHE 45 CO 0.00 0.28 0.00 1.51 -2.23 0.00 0.00 178.31 177.87 1wmj n ILE 46 N -4.89 1.12 0.17 1.41 3.06 -1.26 -4.55 119.36 114.42 1wmj n ILE 46 Ca -0.05 -1.04 -0.14 0.00 -2.50 0.00 0.00 62.75 59.03 1wmj n ILE 46 Cb 0.11 0.44 -0.07 0.00 0.54 0.00 0.00 39.64 40.66 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 3.89 -0.48 0.00 1.51 0.00 -1.81 -1.25 119.26 121.12 1wmj h ALA 47 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wmj h ALA 47 Cb 1.02 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1wmj h ALA 47 CO 0.03 -0.80 0.00 -0.35 0.00 0.00 0.00 179.25 178.13 1wmj n PRO 48 N -5.36 0.49 -0.13 0.00 -0.04 -1.26 -2.96 135.00 125.74 1wmj n PRO 48 Ca -0.08 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.10 1wmj n PRO 48 Cb 0.26 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.81 1.53 0.00 0.52 0.31 -0.52 -4.01 118.33 115.35 1wmj n VAL 49 Ca 0.07 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1wmj n VAL 49 Cb 0.03 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.13 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 -4.12 0.00 -0.26 3.52 3.72 -0.91 -0.36 117.46 119.05 1wmj n PHE 50 Ca -0.51 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 56.92 1wmj n PHE 50 Cb 0.89 -0.47 0.12 0.00 -0.94 0.00 0.00 39.48 39.08 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 0.62 -0.04 4.37 0.00 -1.84 0.76 119.26 121.13 1wmj h ALA 51 Ca 0.00 0.27 -0.04 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 -0.15 1.05 0.00 0.00 0.00 179.25 179.73 1wmj h GLU 52 N 0.04 0.06 -0.10 0.00 4.11 -1.69 -2.82 114.58 114.18 1wmj h GLU 52 Ca 0.39 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.71 1wmj h GLU 52 Cb 0.64 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1wmj h GLU 52 CO -0.73 0.21 -0.29 1.88 0.07 0.00 0.00 179.01 180.15 1wmj h TYR 53 N 0.06 0.49 -0.98 2.06 -1.99 0.34 -2.82 116.97 114.12 1wmj h TYR 53 Ca 0.01 -0.19 0.34 0.00 2.00 0.00 0.00 58.73 60.89 1wmj h TYR 53 Cb 0.30 -0.08 -0.17 0.00 2.00 0.00 0.00 36.73 38.77 1wmj h TYR 53 CO 0.00 0.90 0.35 0.00 -0.00 0.00 0.00 178.16 179.42 1wmj h ALA 54 N 0.49 1.73 0.10 3.88 0.00 -0.54 0.50 119.26 125.43 1wmj h ALA 54 Ca -0.01 0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.91 1wmj h ALA 54 Cb 0.91 0.39 0.03 0.00 0.00 0.00 0.00 17.79 19.11 1wmj h ALA 54 CO 0.06 -0.73 -1.11 0.87 0.00 0.00 0.00 179.25 178.34 1wmj h LYS 55 N 0.07 0.57 -0.70 0.00 1.57 -1.61 -3.25 116.57 113.22 1wmj h LYS 55 Ca 0.72 -0.75 0.17 0.00 -1.87 0.00 0.00 60.65 58.93 1wmj h LYS 55 Cb 1.73 0.24 -0.04 0.00 0.08 0.00 0.00 32.23 34.25 1wmj h LYS 55 CO -0.78 1.33 0.49 0.87 -0.57 0.00 0.00 179.45 180.78 1wmj h LYS 56 N 0.17 0.19 -3.56 3.15 1.57 0.19 -3.25 116.57 115.02 1wmj h LYS 56 Ca -0.17 -0.01 -0.70 0.00 -1.87 0.00 0.00 60.65 57.90 1wmj h LYS 56 Cb 1.80 -0.04 -0.35 0.00 0.08 0.00 0.00 32.23 33.72 1wmj h LYS 56 CO 0.21 0.13 -0.31 -0.06 -0.57 0.00 0.00 179.45 178.84 1wmj s PHE 57 N -5.20 3.44 -1.59 -1.35 0.40 -0.20 -4.91 117.98 108.57 1wmj s PHE 57 Ca -0.06 -2.69 0.15 0.00 -0.60 0.00 0.00 56.93 53.72 1wmj s PHE 57 Cb 0.21 -3.24 0.80 0.00 0.51 0.00 0.00 43.02 41.29 1wmj s PHE 57 CO 0.76 -0.84 1.39 -0.35 0.70 0.00 0.00 175.22 176.87 1wmj n PRO 58 N 3.43 0.29 -0.64 0.24 -0.04 -1.23 -2.76 135.00 134.29 1wmj n PRO 58 Ca 0.09 0.10 0.01 0.00 -0.04 0.00 0.00 63.50 63.67 1wmj n PRO 58 Cb 0.38 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.59 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 2.68 3.40 0.55 0.00 -1.26 -4.90 105.19 105.63 1wmj n GLY 59 Ca 0.08 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.18 -0.20 -0.19 4.61 0.00 -1.11 -2.16 121.76 120.52 1wmj s ALA 60 Ca 0.37 -0.76 0.08 0.00 0.00 0.00 0.00 51.96 51.65 1wmj s ALA 60 Cb 0.28 0.89 -0.22 0.00 0.00 0.00 0.00 23.12 24.08 1wmj s ALA 60 CO 0.10 -0.70 0.06 1.33 0.00 0.00 0.00 175.76 176.55 1wmj n VAL 61 N -0.26 1.50 -1.37 0.00 0.24 -0.86 -4.94 118.33 112.64 1wmj n VAL 61 Ca -0.07 -0.72 0.13 0.00 -2.04 0.00 0.00 64.34 61.64 1wmj n VAL 61 Cb 0.63 -1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 31.87 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 -3.07 -3.46 0.00 6.34 3.01 -1.26 -4.67 117.46 114.35 1wmj n PHE 62 Ca -0.36 1.91 0.00 0.00 1.01 0.00 0.00 57.45 60.01 1wmj n PHE 62 Cb 1.07 -3.11 0.00 0.00 -0.01 0.00 0.00 39.48 37.43 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 -3.94 0.00 -4.20 4.37 7.94 -0.11 -4.11 117.00 116.96 1wmj n LEU 63 Ca -0.07 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.50 1wmj n LEU 63 Cb 0.57 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.37 1wmj n LEU 63 CO 0.03 0.00 -0.50 -0.75 -1.11 0.00 0.00 177.39 175.06 1wmj s LYS 64 N -2.00 3.12 0.28 1.96 2.20 0.55 0.83 119.74 126.68 1wmj s LYS 64 Ca 0.00 -0.78 0.08 0.00 -0.36 0.00 0.00 55.97 54.90 1wmj s LYS 64 Cb 0.00 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.66 1wmj s LYS 64 CO 0.00 -0.10 0.18 0.08 -0.36 0.00 0.00 175.35 175.15 1wmj s VAL 65 N 1.08 4.01 -0.31 4.02 1.01 -0.35 -0.40 120.40 129.46 1wmj s VAL 65 Ca -0.00 -1.49 0.03 0.00 0.00 0.00 0.00 61.98 60.51 1wmj s VAL 65 Cb -0.14 -3.25 0.09 0.00 0.00 0.00 0.00 36.38 33.08 1wmj s VAL 65 CO -0.05 -0.31 0.01 -0.62 0.00 0.00 0.00 175.10 174.13 1wmj s ASP 66 N -3.85 4.53 0.00 3.32 2.15 -1.26 -3.41 116.67 118.15 1wmj s ASP 66 Ca 0.35 -1.85 -0.02 0.00 0.43 0.00 0.00 52.55 51.46 1wmj s ASP 66 Cb -0.07 -1.48 -0.07 0.00 -0.30 0.00 0.00 42.92 41.00 1wmj s ASP 66 CO 0.24 -0.33 1.94 1.33 -0.17 0.00 0.00 175.17 178.18 1wmj n VAL 67 N 4.39 1.73 0.00 1.11 0.24 -0.17 -2.67 118.33 122.97 1wmj n VAL 67 Ca -0.02 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 1wmj n VAL 67 Cb 0.42 -1.54 0.00 0.00 -1.47 0.00 0.00 33.84 31.25 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 1.98 1.61 0.00 -1.34 -0.08 -1.26 -4.56 116.55 112.90 1wmj n ASP 68 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1wmj n ASP 68 Cb 0.48 0.32 0.00 0.00 2.34 0.00 0.00 41.12 44.26 1wmj n ASP 68 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1wmj n GLU 69 N -0.48 3.02 -0.34 -0.67 -0.00 -1.09 -4.79 120.64 116.28 1wmj n GLU 69 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.16 57.22 1wmj n GLU 69 Cb 0.00 -0.88 0.10 0.00 -0.00 0.00 0.00 31.44 30.65 1wmj n GLU 69 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1wmj n LEU 70 N -1.64 1.58 -0.30 -1.84 -0.00 -1.11 -4.85 117.00 108.84 1wmj n LEU 70 Ca 0.00 -2.47 0.25 0.00 -0.00 0.00 0.00 56.01 53.80 1wmj n LEU 70 Cb 0.37 -0.28 0.42 0.00 -0.00 0.00 0.00 43.42 43.93 1wmj n LEU 70 CO 0.00 0.63 0.75 2.29 -0.00 0.00 0.00 177.39 181.06 1wmj n LYS 71 N -0.85 -0.02 -0.51 1.47 2.85 -1.24 0.08 118.16 119.95 1wmj n LYS 71 Ca 0.11 0.73 0.38 0.00 -1.05 0.00 0.00 58.31 58.48 1wmj n LYS 71 Cb 0.69 -1.47 0.59 0.00 -0.65 0.00 0.00 35.03 34.19 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 -3.75 -0.00 -0.04 -1.58 0.28 -1.26 0.23 120.64 114.52 1wmj n GLU 72 Ca 0.24 0.80 -0.15 0.00 -0.16 0.00 0.00 57.16 57.90 1wmj n GLU 72 Cb 0.97 -1.82 -0.12 0.00 1.43 0.00 0.00 31.44 31.91 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 1.60 -0.20 3.84 2.07 -0.76 -3.27 116.25 119.52 1wmj h VAL 73 Ca 0.68 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 1wmj h VAL 73 Cb 2.71 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 35.34 1wmj h VAL 73 CO -0.03 0.52 0.11 0.00 0.02 0.00 0.00 177.57 178.18 1wmj h ALA 74 N 0.21 1.81 0.00 1.67 0.00 0.27 -1.31 119.26 121.91 1wmj h ALA 74 Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1wmj h ALA 74 Cb 0.93 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1wmj h ALA 74 CO 0.03 0.16 -0.11 0.93 0.00 0.00 0.00 179.25 180.27 1wmj h GLU 75 N 0.28 0.00 -0.04 0.00 5.08 -1.26 1.19 114.58 119.82 1wmj h GLU 75 Ca 0.07 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.23 1wmj h GLU 75 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1wmj h GLU 75 CO -0.01 0.11 -0.81 1.57 -1.00 0.00 0.00 179.01 178.86 1wmj h LYS 76 N 0.00 0.38 0.00 2.33 2.10 -1.29 -3.20 116.57 116.89 1wmj h LYS 76 Ca -0.00 -0.35 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1wmj h LYS 76 Cb 0.19 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1wmj h LYS 76 CO 0.01 1.01 -0.92 0.66 -2.00 0.00 0.00 179.45 178.21 1wmj n TYR 77 N -3.79 0.14 -2.39 0.07 4.01 -0.78 -5.02 117.16 109.41 1wmj n TYR 77 Ca -0.05 0.04 -0.02 0.00 -0.16 0.00 0.00 57.90 57.71 1wmj n TYR 77 Cb 0.76 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 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 -1.77 -5.56 -0.02 7.72 4.05 0.40 -5.01 115.26 115.09 1wmj n ASN 78 Ca 0.03 0.12 -0.01 0.00 0.45 0.00 0.00 54.58 55.18 1wmj n ASN 78 Cb 0.39 -3.64 -0.04 0.00 1.23 0.00 0.00 39.78 37.73 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 -0.98 0.22 0.00 3.44 0.24 -0.90 -5.02 118.33 115.34 1wmj n VAL 79 Ca 0.03 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1wmj n VAL 79 Cb 0.40 -0.53 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 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 -2.03 0.00 0.00 7.34 1.02 -1.26 -4.39 120.64 121.32 1wmj n GLU 80 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1wmj n GLU 80 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 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 0.00 0.62 0.00 -1.26 -5.03 120.51 114.84 1wmj n ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wmj n ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 0.00 0.00 -1.26 -4.62 117.12 111.24 1wmj n MET 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1wmj n MET 82 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 -0.07 0.49 -1.63 3.17 -0.04 -1.26 -0.21 135.00 135.46 1wmj n PRO 83 Ca 0.00 0.00 -0.55 0.00 -0.04 0.00 0.00 63.50 62.91 1wmj n PRO 83 Cb 0.00 -1.24 -0.07 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.27 0.09 -0.82 0.52 -1.04 -1.26 0.22 114.28 112.27 1wmj n THR 84 Ca 0.00 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.05 61.88 1wmj n THR 84 Cb 0.13 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 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 3.37 0.90 -0.77 -1.42 3.72 -1.25 -0.38 117.46 121.63 1wmj n PHE 85 Ca 0.21 -1.60 -0.25 0.00 -0.05 0.00 0.00 57.45 55.76 1wmj n PHE 85 Cb 0.16 -0.89 -0.01 0.00 -0.94 0.00 0.00 39.48 37.80 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 0.95 -1.28 -4.42 4.37 -0.00 0.08 -4.16 117.00 112.55 1wmj n LEU 86 Ca 0.22 0.54 -0.24 0.00 -0.00 0.00 0.00 56.01 56.53 1wmj n LEU 86 Cb 0.57 -0.52 -0.11 0.00 -0.00 0.00 0.00 43.42 43.36 1wmj n LEU 86 CO 0.23 -2.13 -0.50 -0.36 -0.00 0.00 0.00 177.39 174.63 1wmj s PHE 87 N -0.81 2.16 -0.42 1.96 0.40 0.60 0.22 117.98 122.10 1wmj s PHE 87 Ca 0.35 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 56.35 1wmj s PHE 87 Cb -0.43 -1.01 0.19 0.00 0.51 0.00 0.00 43.02 42.27 1wmj s PHE 87 CO 0.34 0.54 0.43 -0.89 0.70 0.00 0.00 175.22 176.35 1wmj n ILE 88 N -0.12 -0.97 -2.67 0.64 2.08 -1.07 -2.53 119.36 114.73 1wmj n ILE 88 Ca -0.09 -3.24 -0.43 0.00 0.56 0.00 0.00 62.75 59.55 1wmj n ILE 88 Cb 0.58 -1.36 -0.02 0.00 -0.75 0.00 0.00 39.64 38.09 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 -0.08 4.32 0.00 0.38 2.20 -1.26 -3.14 119.74 122.15 1wmj s LYS 89 Ca 0.33 1.37 0.00 0.00 -0.36 0.00 0.00 55.97 57.31 1wmj s LYS 89 Cb 0.07 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1wmj s LYS 89 CO -0.17 -0.52 0.00 -3.47 -0.36 0.00 0.00 175.35 170.83 1wmj n ASP 90 N 5.88 0.00 0.00 1.43 2.03 -1.26 -3.77 116.55 120.86 1wmj n ASP 90 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1wmj n ASP 90 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 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 0.78 0.00 0.27 0.00 -1.19 -4.81 105.19 98.24 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 0.69 -3.15 4.61 0.00 -1.25 -5.11 120.51 116.31 1wmj n ALA 92 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 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 0.16 -0.01 0.00 2.12 -1.26 -4.71 118.70 115.01 1wmj s GLU 93 Ca 0.00 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.56 1wmj s GLU 93 Cb 0.00 0.11 -0.26 0.00 0.26 0.00 0.00 34.13 34.24 1wmj s GLU 93 CO 0.00 -0.25 0.81 0.00 -0.54 0.00 0.00 175.26 175.28 1wmj h ALA 94 N 7.57 0.43 0.00 6.30 0.00 -1.77 -3.45 119.26 128.34 1wmj h ALA 94 Ca -0.11 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.60 1wmj h ALA 94 Cb 1.18 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1wmj h ALA 94 CO -0.10 1.29 0.00 -0.25 0.00 0.00 0.00 179.25 180.19 1wmj n ASP 95 N -3.34 0.00 -4.14 0.00 8.00 -1.26 -4.99 116.55 110.82 1wmj n ASP 95 Ca -0.16 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.13 1wmj n ASP 95 Cb 1.03 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 42.04 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 -1.89 1.67 0.00 -1.24 0.00 -1.26 0.22 119.74 117.24 1wmj s LYS 96 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 55.97 54.01 1wmj s LYS 96 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 37.83 37.45 1wmj s LYS 96 CO 0.00 -0.39 0.00 0.28 0.00 0.00 0.00 175.35 175.24 1wmj n VAL 97 N -0.67 0.00 0.00 1.79 0.31 -1.26 -4.89 118.33 113.61 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 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 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 -0.76 2.52 0.31 -1.26 -4.48 118.33 114.66 1wmj n VAL 98 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1wmj n VAL 98 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 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 -0.14 2.96 0.20 2.92 0.00 0.60 -3.17 105.19 108.55 1wmj n GLY 99 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.65 1.41 -3.96 4.61 0.00 -1.26 -4.77 120.51 118.18 1wmj n ALA 100 Ca 0.20 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 1wmj n ALA 100 Cb 0.64 -0.09 -0.16 0.00 0.00 0.00 0.00 19.45 19.85 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 1.85 0.00 0.00 3.00 -1.19 -4.98 118.95 117.62 1wmj s ARG 101 Ca 0.00 -0.64 0.16 0.00 0.00 0.00 0.00 55.73 55.25 1wmj s ARG 101 Cb 0.00 -2.16 0.62 0.00 0.00 0.00 0.00 34.95 33.41 1wmj s ARG 101 CO 0.00 -0.38 1.45 1.17 0.00 0.00 0.00 175.30 177.53 1wmj n LYS 102 N 4.78 1.56 0.00 3.54 0.00 -1.26 -2.88 118.16 123.91 1wmj n LYS 102 Ca -0.14 -0.86 0.00 0.00 0.00 0.00 0.00 58.31 57.31 1wmj n LYS 102 Cb 0.48 -1.31 0.00 0.00 0.00 0.00 0.00 35.03 34.20 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 0.12 0.17 -0.00 3.14 5.68 -1.26 -4.69 116.55 119.71 1wmj n ASP 103 Ca 0.13 -0.51 0.06 0.00 -0.50 0.00 0.00 54.79 53.98 1wmj n ASP 103 Cb 0.25 0.51 -0.09 0.00 -1.14 0.00 0.00 41.12 40.64 1wmj n ASP 103 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1wmj n ASP 104 N -0.51 1.65 0.00 -1.12 -0.08 -1.23 -4.36 116.55 110.90 1wmj n ASP 104 Ca 0.00 -0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1wmj n ASP 104 Cb 0.02 1.45 0.00 0.00 2.34 0.00 0.00 41.12 44.93 1wmj n ASP 104 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1wmj n LEU 105 N -1.79 1.18 0.28 -2.67 7.94 -1.14 -2.96 117.00 117.85 1wmj n LEU 105 Ca -0.01 0.28 0.09 0.00 -1.11 0.00 0.00 56.01 55.26 1wmj n LEU 105 Cb 0.31 -0.29 0.49 0.00 0.53 0.00 0.00 43.42 44.46 1wmj n LEU 105 CO 0.27 -0.29 1.00 0.06 -1.11 0.00 0.00 177.39 177.32 1wmj h GLN 106 N 0.00 0.00 0.09 1.96 -0.00 -1.84 0.86 115.11 116.18 1wmj h GLN 106 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.39 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 -1.21 -0.97 -0.00 0.00 0.00 178.83 176.65 1wmj h ASN 107 N 0.00 0.30 0.28 0.06 -1.24 -1.76 -3.17 115.58 110.05 1wmj h ASN 107 Ca 0.00 -0.33 -0.34 0.00 0.71 0.00 0.00 56.30 56.34 1wmj h ASN 107 Cb 0.97 -0.10 0.03 0.00 0.73 0.00 0.00 38.32 39.96 1wmj h ASN 107 CO 0.00 1.26 -1.53 0.74 -1.29 0.00 0.00 177.43 176.62 1wmj h THR 108 N 0.05 1.22 0.00 -3.57 2.02 0.82 -3.21 112.91 110.24 1wmj h THR 108 Ca -0.11 -2.69 -0.01 0.00 0.77 0.00 0.00 66.41 64.36 1wmj h THR 108 Cb 1.92 2.98 -0.00 0.00 -1.74 0.00 0.00 68.15 71.31 1wmj h THR 108 CO 0.18 0.83 -0.07 0.40 0.37 0.00 0.00 175.52 177.23 1wmj h ILE 109 N 0.13 0.71 0.01 3.11 5.03 -1.39 -1.29 117.51 123.83 1wmj h ILE 109 Ca -0.27 -0.26 -0.20 0.00 -0.12 0.00 0.00 64.86 64.01 1wmj h ILE 109 Cb 2.15 1.16 -0.02 0.00 -3.03 0.00 0.00 36.82 37.07 1wmj h ILE 109 CO 0.25 0.07 -0.94 -0.37 -0.68 0.00 0.00 178.15 176.48 1wmj h VAL 110 N 0.00 1.63 0.00 1.67 -1.51 -1.61 1.16 116.25 117.60 1wmj h VAL 110 Ca -0.00 -3.09 -0.18 0.00 -1.23 0.00 0.00 66.70 62.20 1wmj h VAL 110 Cb 0.15 2.69 -0.03 0.00 -2.13 0.00 0.00 31.29 31.98 1wmj h VAL 110 CO 0.01 0.89 -0.85 0.07 -1.23 0.00 0.00 177.57 176.46 1wmj h LYS 111 N 0.02 0.00 0.00 5.19 2.10 -1.30 0.72 116.57 123.29 1wmj h LYS 111 Ca -0.02 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 58.18 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 0.13 0.85 -2.51 0.72 -2.00 0.00 0.00 179.45 176.63 1wmj n HIS 112 N -3.37 0.00 -0.05 0.07 8.25 -0.58 -4.17 115.22 115.37 1wmj n HIS 112 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1wmj n HIS 112 Cb 0.85 -0.97 -0.15 0.00 1.12 0.00 0.00 29.99 30.84 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 -4.06 1.55 0.97 1.59 0.31 0.36 -4.06 118.33 115.00 1wmj n VAL 113 Ca -0.52 -0.80 0.13 0.00 -0.01 0.00 0.00 64.34 63.13 1wmj n VAL 113 Cb 0.90 -0.92 0.58 0.00 -0.91 0.00 0.00 33.84 33.49 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 1.66 -1.36 3.87 2.92 0.00 0.90 -4.81 105.19 108.37 1wmj n GLY 114 Ca -0.23 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.46 -1.08 0.00 4.61 0.00 -0.34 -4.25 120.51 117.98 1wmj n ALA 115 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1wmj n ALA 115 Cb 0.29 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 0.00 0.00 -1.04 -1.07 -5.03 114.28 103.67 1wmj n THR 116 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1wmj n THR 116 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 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 -1.84 0.00 0.00 2.41 0.00 -0.65 -4.66 120.51 115.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -3.87 0.00 0.00 -1.26 -4.73 120.51 110.65 1wmj n ALA 118 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1wmj n ALA 118 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1wmj n ALA 118 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wmj s SER 119 N 0.00 4.26 -0.43 0.00 1.04 -1.26 -5.08 113.70 112.23 1wmj s SER 119 Ca 0.00 -2.32 -0.15 0.00 0.48 0.00 0.00 55.95 53.96 1wmj s SER 119 Cb 0.00 -1.32 0.03 0.00 0.10 0.00 0.00 66.02 64.83 1wmj s SER 119 CO 0.00 -0.33 0.33 0.00 0.98 0.00 0.00 173.24 174.21 1wmj s ALA 120 N 0.70 3.50 -0.33 5.32 0.00 -1.26 -5.00 121.76 124.68 1wmj s ALA 120 Ca 0.13 -1.82 0.01 0.00 0.00 0.00 0.00 51.96 50.29 1wmj s ALA 120 Cb -0.21 -2.94 0.14 0.00 0.00 0.00 0.00 23.12 20.11 1wmj s ALA 120 CO -0.08 -1.53 0.30 0.45 0.00 0.00 0.00 175.76 174.89 1wmj s SER 121 N 1.91 1.88 0.00 0.00 0.15 -1.26 -5.24 113.70 111.14 1wmj s SER 121 Ca 0.05 -1.39 0.02 0.00 0.70 0.00 0.00 55.95 55.33 1wmj s SER 121 Cb -0.20 0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.41 1wmj s SER 121 CO 0.09 -0.33 0.55 0.00 1.20 0.00 0.00 173.24 174.76