#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 -0.93 3.04 0.00 -1.26 -4.78 120.51 116.58 1wmj n ALA 2 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1wmj n ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 9.67 -0.03 -2.65 0.00 0.00 -1.26 -4.54 120.51 121.70 1wmj n ALA 3 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 1wmj n ALA 3 Cb 0.00 -1.35 0.06 0.00 0.00 0.00 0.00 19.45 18.15 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 0.55 0.01 0.00 0.00 2.13 -1.26 -4.77 120.64 117.31 1wmj n GLU 4 Ca -0.02 -0.52 0.00 0.00 0.66 0.00 0.00 57.16 57.28 1wmj n GLU 4 Cb 0.45 -0.01 0.00 0.00 0.27 0.00 0.00 31.44 32.15 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 0.09 3.52 -0.02 5.31 -0.58 -1.26 -4.89 120.64 122.81 1wmj n GLU 5 Ca -0.18 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.56 1wmj n GLU 5 Cb 0.71 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.58 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 3.91 0.62 0.00 -1.26 -4.80 105.19 110.41 1wmj n GLY 6 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.58 1.88 -0.76 1.61 -7.23 -1.26 -3.63 120.40 110.42 1wmj s VAL 7 Ca 0.01 -1.42 -0.25 0.00 -1.81 0.00 0.00 61.98 58.50 1wmj s VAL 7 Cb 0.01 -2.30 -0.16 0.00 0.56 0.00 0.00 36.38 34.48 1wmj s VAL 7 CO 0.00 0.00 2.47 1.33 -0.31 0.00 0.00 175.10 178.59 1wmj n VAL 8 N -1.77 -0.03 -0.92 1.32 0.24 -1.24 -4.82 118.33 111.11 1wmj n VAL 8 Ca 0.01 -0.47 -0.37 0.00 -2.04 0.00 0.00 64.34 61.47 1wmj n VAL 8 Cb 0.64 -1.61 0.06 0.00 -1.47 0.00 0.00 33.84 31.46 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 7.66 0.00 -3.09 1.34 2.08 -1.26 -4.40 119.36 121.70 1wmj n ILE 9 Ca 0.52 -0.14 -0.19 0.00 0.56 0.00 0.00 62.75 63.50 1wmj n ILE 9 Cb 0.32 -0.15 -0.03 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 -3.56 2.62 -0.83 -1.39 0.00 -1.24 0.20 120.51 116.30 1wmj n ALA 10 Ca -0.01 -3.61 -0.34 0.00 0.00 0.00 0.00 53.44 49.48 1wmj n ALA 10 Cb 0.70 -0.89 0.11 0.00 0.00 0.00 0.00 19.45 19.36 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 -3.51 -0.41 -1.46 0.00 1.44 -1.26 -4.04 115.22 105.99 1wmj n HIS 12 Ca 0.03 -0.50 -0.01 0.00 -2.01 0.00 0.00 57.72 55.23 1wmj n HIS 12 Cb 0.57 0.65 -0.01 0.00 0.12 0.00 0.00 29.99 31.32 1wmj n HIS 12 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1wmj n ASN 13 N -0.31 -0.14 0.00 4.39 6.94 -1.26 -4.87 115.26 120.02 1wmj n ASN 13 Ca -0.13 -0.40 0.00 0.00 -0.02 0.00 0.00 54.58 54.03 1wmj n ASN 13 Cb 0.56 0.04 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 1wmj n ASN 13 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1wmj n LYS 14 N 0.00 0.00 -0.15 -3.83 4.81 -1.26 -4.30 118.16 113.43 1wmj n LYS 14 Ca -0.04 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.53 1wmj n LYS 14 Cb 0.26 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.54 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 0.81 0.10 0.06 3.14 2.03 -1.26 0.33 116.55 121.77 1wmj n ASP 15 Ca 0.00 0.75 -0.21 0.00 0.52 0.00 0.00 54.79 55.85 1wmj n ASP 15 Cb 0.00 -0.34 -0.14 0.00 -0.72 0.00 0.00 41.12 39.91 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 0.37 -0.99 -0.67 5.08 -1.98 -3.19 114.58 113.19 1wmj h GLU 16 Ca 0.35 -0.59 0.18 0.00 -1.00 0.00 0.00 59.36 58.30 1wmj h GLU 16 Cb 0.90 0.22 -0.10 0.00 0.50 0.00 0.00 28.75 30.26 1wmj h GLU 16 CO -0.37 1.27 0.62 0.35 -1.00 0.00 0.00 179.01 179.88 1wmj h PHE 17 N -0.23 1.04 -0.29 4.33 3.04 0.51 -0.91 116.94 124.43 1wmj h PHE 17 Ca -0.16 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.77 1wmj h PHE 17 Cb 1.72 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.90 1wmj h PHE 17 CO 0.18 0.28 -0.04 -0.44 -2.02 0.00 0.00 178.31 176.27 1wmj h ASP 18 N 0.78 0.53 -0.89 0.41 3.32 -1.20 -2.40 116.42 116.97 1wmj h ASP 18 Ca 0.55 -0.34 0.26 0.00 0.02 0.00 0.00 57.03 57.52 1wmj h ASP 18 Cb 0.84 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 1wmj h ASP 18 CO -0.33 0.74 1.17 0.00 -1.72 0.00 0.00 179.24 179.10 1wmj h ALA 19 N 0.80 2.84 0.00 3.45 0.00 -1.15 0.60 119.26 125.81 1wmj h ALA 19 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1wmj h ALA 19 Cb 0.49 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1wmj h ALA 19 CO 0.02 -1.63 -1.31 1.04 0.00 0.00 0.00 179.25 177.37 1wmj n GLN 20 N -3.17 0.51 0.25 0.00 3.00 -1.08 -3.70 117.38 113.20 1wmj n GLN 20 Ca 0.20 0.21 0.10 0.00 -0.01 0.00 0.00 57.00 57.50 1wmj n GLN 20 Cb 1.44 -1.39 0.39 0.00 0.00 0.00 0.00 30.24 30.69 1wmj n GLN 20 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1wmj h MET 21 N -0.94 0.00 0.00 -1.09 2.86 -0.69 1.56 114.93 116.63 1wmj h MET 21 Ca -0.16 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.25 1wmj h MET 21 Cb 1.10 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.71 1wmj h MET 21 CO -0.10 0.00 -1.92 2.41 1.06 0.00 0.00 176.91 178.36 1wmj n THR 22 N -2.82 1.11 0.75 2.22 -1.04 0.07 -4.12 114.28 110.46 1wmj n THR 22 Ca 0.03 -0.74 -0.00 0.00 -2.04 0.00 0.00 64.05 61.30 1wmj n THR 22 Cb 0.82 -0.54 0.04 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 -2.75 1.40 0.00 -2.82 5.02 0.53 -3.50 118.16 116.04 1wmj n LYS 23 Ca -0.18 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.71 1wmj n LYS 23 Cb 0.94 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 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 2.64 -0.15 7.82 0.00 -1.13 -4.08 120.51 125.75 1wmj n ALA 24 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 1wmj n ALA 24 Cb 0.45 0.48 0.07 0.00 0.00 0.00 0.00 19.45 20.44 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 0.91 0.12 0.00 2.10 -1.74 -0.01 116.57 117.96 1wmj h LYS 25 Ca 0.00 -0.32 -0.34 0.00 -2.00 0.00 0.00 60.65 57.99 1wmj h LYS 25 Cb 0.95 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.20 1wmj h LYS 25 CO 0.00 0.97 -1.83 1.05 -2.00 0.00 0.00 179.45 177.63 1wmj h GLU 26 N 0.82 0.25 -0.11 0.07 4.11 -1.86 -3.36 114.58 114.51 1wmj h GLU 26 Ca 0.13 -0.43 -0.03 0.00 0.07 0.00 0.00 59.36 59.11 1wmj h GLU 26 Cb 0.62 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1wmj h GLU 26 CO 0.04 1.20 -0.08 0.00 0.07 0.00 0.00 179.01 180.25 1wmj h ALA 27 N -0.00 1.66 -0.25 1.06 0.00 -1.70 -3.47 119.26 116.56 1wmj h ALA 27 Ca -0.40 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1wmj h ALA 27 Cb 1.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1wmj h ALA 27 CO 0.06 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1wmj n GLY 28 N -1.09 1.12 3.11 0.00 0.00 -0.14 -5.00 105.19 103.18 1wmj n GLY 28 Ca -0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.25 0.65 0.86 1.61 -2.85 -0.44 -5.01 119.74 112.32 1wmj s LYS 29 Ca 0.00 -1.04 -0.11 0.00 -1.00 0.00 0.00 55.97 53.82 1wmj s LYS 29 Cb 0.00 -0.19 0.11 0.00 -2.06 0.00 0.00 37.83 35.69 1wmj s LYS 29 CO 0.00 0.00 1.09 0.08 0.10 0.00 0.00 175.35 176.62 1wmj s VAL 30 N -2.57 2.83 0.06 1.79 1.01 -0.59 -4.34 120.40 118.59 1wmj s VAL 30 Ca 0.01 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.32 1wmj s VAL 30 Cb -0.02 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1wmj s VAL 30 CO -0.03 -0.35 -0.14 -0.69 0.00 0.00 0.00 175.10 173.89 1wmj s VAL 31 N -2.90 3.10 -0.31 2.92 1.01 -1.21 -2.06 120.40 120.95 1wmj s VAL 31 Ca 0.63 -1.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1wmj s VAL 31 Cb -0.18 -2.37 0.12 0.00 0.00 0.00 0.00 36.38 33.96 1wmj s VAL 31 CO 0.57 0.27 0.21 -0.63 0.00 0.00 0.00 175.10 175.52 1wmj s ILE 32 N -1.03 -0.13 -0.21 2.22 1.09 -1.26 -2.47 121.20 119.40 1wmj s ILE 32 Ca 0.17 -0.94 -0.12 0.00 -1.10 0.00 0.00 60.65 58.66 1wmj s ILE 32 Cb -0.11 -0.98 -0.05 0.00 -1.06 0.00 0.00 42.46 40.27 1wmj s ILE 32 CO 0.08 -0.71 0.22 -0.63 -0.10 0.00 0.00 174.94 173.80 1wmj s ILE 33 N 1.85 5.33 -0.79 2.92 1.09 0.14 -1.03 121.20 130.72 1wmj s ILE 33 Ca 0.12 0.35 -0.14 0.00 -1.10 0.00 0.00 60.65 59.88 1wmj s ILE 33 Cb -0.17 -3.56 0.21 0.00 -1.06 0.00 0.00 42.46 37.88 1wmj s ILE 33 CO -0.24 0.35 0.73 -0.62 -0.10 0.00 0.00 174.94 175.06 1wmj s ASP 34 N 0.83 6.66 0.80 3.58 2.15 0.16 -0.73 116.67 130.13 1wmj s ASP 34 Ca 0.11 -2.59 0.00 0.00 0.43 0.00 0.00 52.55 50.50 1wmj s ASP 34 Cb -0.13 -2.20 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 1wmj s ASP 34 CO 0.04 -0.60 0.00 0.49 -0.17 0.00 0.00 175.17 174.93 1wmj n PHE 35 N 4.11 -1.93 0.00 -5.34 3.72 0.46 -2.29 117.46 116.19 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 -2.50 0.00 0.00 4.37 5.66 0.12 -3.88 114.28 118.05 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 -0.78 0.00 -0.04 1.79 0.00 -1.24 -0.27 120.51 119.97 1wmj n ALA 37 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1wmj n ALA 37 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 0.28 -0.59 0.00 7.64 -1.26 -4.45 113.62 115.24 1wmj n SER 38 Ca 0.00 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1wmj n SER 38 Cb 0.00 0.95 -0.00 0.00 -1.01 0.00 0.00 64.21 64.15 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 -2.69 0.00 -3.73 1.43 2.14 -1.26 -5.05 117.44 108.28 1wmj n TRP 39 Ca -0.19 -0.06 -0.38 0.00 2.07 0.00 0.00 57.50 58.95 1wmj n TRP 39 Cb 0.93 0.06 -0.11 0.00 -0.81 0.00 0.00 31.31 31.38 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 4.73 3.49 0.08 0.00 0.00 -1.26 -3.70 105.19 108.53 1wmj n GLY 41 Ca -0.08 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.08 -6.64 1.61 0.13 -1.95 -3.46 132.00 121.62 1wmj h PRO 42 Ca 0.00 0.01 -0.49 0.00 -0.87 0.00 0.00 66.00 64.65 1wmj h PRO 42 Cb 0.00 0.02 -0.28 0.00 0.13 0.00 0.00 31.00 30.87 1wmj h PRO 42 CO 0.00 0.38 -0.71 0.00 -0.23 0.00 0.00 178.00 177.44 1wmj n ARG 44 N -3.78 0.00 -0.09 0.00 1.74 -1.26 -4.61 116.66 108.66 1wmj n ARG 44 Ca 0.08 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.03 1wmj n ARG 44 Cb 0.47 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.87 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 -0.60 -1.55 3.04 -2.01 -3.16 116.94 113.48 1wmj h PHE 45 Ca 0.00 -0.25 0.00 0.00 3.98 0.00 0.00 57.97 61.70 1wmj h PHE 45 Cb 0.00 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.34 1wmj h PHE 45 CO 0.00 0.98 0.00 1.51 -2.02 0.00 0.00 178.31 178.78 1wmj n ILE 46 N -4.28 1.19 0.16 1.41 3.06 -1.26 -4.57 119.36 115.07 1wmj n ILE 46 Ca -0.04 -1.07 -0.14 0.00 -2.50 0.00 0.00 62.75 59.01 1wmj n ILE 46 Cb 0.46 0.41 -0.07 0.00 0.54 0.00 0.00 39.64 40.99 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 3.57 -0.48 0.00 1.51 0.00 -1.80 -1.22 119.26 120.83 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 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1wmj h ALA 47 CO 0.05 -0.80 0.00 -0.35 0.00 0.00 0.00 179.25 178.15 1wmj n PRO 48 N -5.36 0.49 -0.13 0.00 -0.04 -1.26 -2.95 135.00 125.75 1wmj n PRO 48 Ca -0.08 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.10 1wmj n PRO 48 Cb 0.27 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.51 -4.03 118.33 115.37 1wmj n VAL 49 Ca 0.07 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1wmj n VAL 49 Cb 0.03 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 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 -4.09 0.00 -0.27 3.52 3.72 -0.93 -0.31 117.46 119.10 1wmj n PHE 50 Ca -0.52 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 56.92 1wmj n PHE 50 Cb 0.90 -0.41 0.13 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 0.64 -0.25 4.37 0.00 -1.85 0.69 119.26 120.86 1wmj h ALA 51 Ca 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1wmj h ALA 51 Cb 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wmj h ALA 51 CO 0.00 -0.42 0.01 1.05 0.00 0.00 0.00 179.25 179.88 1wmj h GLU 52 N 0.04 0.37 -0.14 0.00 4.11 -1.70 -2.83 114.58 114.43 1wmj h GLU 52 Ca 0.40 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.71 1wmj h GLU 52 Cb 0.66 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1wmj h GLU 52 CO -0.75 0.39 -0.13 1.88 0.07 0.00 0.00 179.01 180.47 1wmj h TYR 53 N 0.36 0.40 -0.98 2.06 -1.99 0.33 -2.66 116.97 114.50 1wmj h TYR 53 Ca 0.08 -0.12 0.31 0.00 2.00 0.00 0.00 58.73 61.01 1wmj h TYR 53 Cb 0.23 -0.09 -0.18 0.00 2.00 0.00 0.00 36.73 38.70 1wmj h TYR 53 CO 0.01 0.72 0.22 0.00 -0.00 0.00 0.00 178.16 179.11 1wmj h ALA 54 N 0.62 1.50 0.03 3.88 0.00 -0.60 0.60 119.26 125.29 1wmj h ALA 54 Ca 0.02 0.30 -0.27 0.00 0.00 0.00 0.00 54.91 54.96 1wmj h ALA 54 Cb 0.65 0.47 0.02 0.00 0.00 0.00 0.00 17.79 18.92 1wmj h ALA 54 CO 0.03 -0.67 -1.09 0.87 0.00 0.00 0.00 179.25 178.39 1wmj h LYS 55 N 0.04 0.67 -0.09 0.00 1.57 -1.60 -3.18 116.57 113.98 1wmj h LYS 55 Ca 0.67 -0.76 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1wmj h LYS 55 Cb 1.52 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 34.06 1wmj h LYS 55 CO -0.83 1.33 0.09 0.87 -0.57 0.00 0.00 179.45 180.34 1wmj h LYS 56 N 0.36 0.00 -3.45 3.15 1.57 0.44 -3.29 116.57 115.33 1wmj h LYS 56 Ca -0.14 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.96 1wmj h LYS 56 Cb 1.75 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.69 1wmj h LYS 56 CO 0.21 0.00 -0.41 -0.06 -0.57 0.00 0.00 179.45 178.62 1wmj s PHE 57 N -4.77 3.41 -1.54 -1.35 0.40 0.29 -4.91 117.98 109.50 1wmj s PHE 57 Ca -0.05 -2.91 0.15 0.00 -0.60 0.00 0.00 56.93 53.52 1wmj s PHE 57 Cb 0.16 -3.08 0.78 0.00 0.51 0.00 0.00 43.02 41.40 1wmj s PHE 57 CO 0.59 -0.78 1.40 -0.35 0.70 0.00 0.00 175.22 176.77 1wmj n PRO 58 N 3.14 0.27 -0.49 0.24 -0.04 -1.24 -2.72 135.00 134.16 1wmj n PRO 58 Ca 0.10 0.12 0.04 0.00 -0.04 0.00 0.00 63.50 63.71 1wmj n PRO 58 Cb 0.36 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.55 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 2.22 3.39 0.55 0.00 -1.26 -4.89 105.19 105.16 1wmj n GLY 59 Ca 0.08 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.96 -0.19 -0.20 4.61 0.00 -1.10 -1.55 121.76 121.38 1wmj s ALA 60 Ca 0.31 -0.76 0.08 0.00 0.00 0.00 0.00 51.96 51.59 1wmj s ALA 60 Cb 0.23 0.87 -0.22 0.00 0.00 0.00 0.00 23.12 24.00 1wmj s ALA 60 CO 0.10 -0.69 0.05 1.33 0.00 0.00 0.00 175.76 176.55 1wmj n VAL 61 N -0.25 1.50 -1.37 0.00 0.24 -0.87 -4.93 118.33 112.65 1wmj n VAL 61 Ca -0.08 -0.72 0.13 0.00 -2.04 0.00 0.00 64.34 61.64 1wmj n VAL 61 Cb 0.63 -1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 31.88 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 -3.06 -3.48 0.00 6.34 3.01 -1.26 -4.65 117.46 114.36 1wmj n PHE 62 Ca -0.36 1.92 0.00 0.00 1.01 0.00 0.00 57.45 60.02 1wmj n PHE 62 Cb 1.07 -3.13 0.00 0.00 -0.01 0.00 0.00 39.48 37.41 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 -3.97 0.00 -4.14 4.37 7.94 -0.20 -4.03 117.00 116.98 1wmj n LEU 63 Ca -0.07 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.55 1wmj n LEU 63 Cb 0.58 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.36 1wmj n LEU 63 CO 0.03 0.00 -0.52 -0.75 -1.11 0.00 0.00 177.39 175.04 1wmj s LYS 64 N -1.88 2.24 0.28 1.96 2.20 0.53 0.40 119.74 125.49 1wmj s LYS 64 Ca 0.00 -0.66 0.06 0.00 -0.36 0.00 0.00 55.97 55.01 1wmj s LYS 64 Cb 0.00 -1.81 -0.06 0.00 -1.51 0.00 0.00 37.83 34.46 1wmj s LYS 64 CO 0.00 0.16 -0.03 0.14 -0.36 0.00 0.00 175.35 175.27 1wmj s VAL 65 N 0.33 1.47 -0.20 4.02 -7.23 -0.97 0.17 120.40 117.99 1wmj s VAL 65 Ca -0.12 -2.08 -0.04 0.00 -1.81 0.00 0.00 61.98 57.93 1wmj s VAL 65 Cb -0.15 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 1wmj s VAL 65 CO 0.05 -0.24 -0.04 -0.62 -0.31 0.00 0.00 175.10 173.94 1wmj s ASP 66 N -3.44 4.41 -0.06 4.85 -1.08 -1.26 -3.58 116.67 116.51 1wmj s ASP 66 Ca 0.31 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 1wmj s ASP 66 Cb 0.05 -1.74 0.07 0.00 -1.46 0.00 0.00 42.92 39.84 1wmj s ASP 66 CO 0.12 0.04 1.42 1.33 0.52 0.00 0.00 175.17 178.60 1wmj n VAL 67 N 4.42 1.59 0.00 1.11 0.24 0.62 -2.98 118.33 123.34 1wmj n VAL 67 Ca -0.18 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 1wmj n VAL 67 Cb 0.51 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.77 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 0.61 2.37 -0.02 -1.34 2.03 -1.26 -4.32 116.55 114.61 1wmj n ASP 68 Ca 0.07 -0.10 -0.03 0.00 0.52 0.00 0.00 54.79 55.26 1wmj n ASP 68 Cb 0.60 0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 41.65 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 -0.91 2.19 -0.50 -0.67 0.28 -1.18 -4.75 120.64 115.11 1wmj n GLU 69 Ca 0.00 0.01 0.05 0.00 -0.16 0.00 0.00 57.16 57.06 1wmj n GLU 69 Cb 0.00 -1.10 0.09 0.00 1.43 0.00 0.00 31.44 31.86 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 -2.33 1.50 -0.31 -1.84 -0.00 -1.16 -4.86 117.00 108.00 1wmj n LEU 70 Ca -0.07 -2.43 0.26 0.00 -0.00 0.00 0.00 56.01 53.76 1wmj n LEU 70 Cb 0.62 -0.25 0.42 0.00 -0.00 0.00 0.00 43.42 44.21 1wmj n LEU 70 CO 0.07 0.66 0.76 2.29 -0.00 0.00 0.00 177.39 181.17 1wmj n LYS 71 N -0.67 -0.02 -0.49 1.47 2.85 -1.25 -0.02 118.16 120.04 1wmj n LYS 71 Ca 0.10 0.72 0.37 0.00 -1.05 0.00 0.00 58.31 58.45 1wmj n LYS 71 Cb 0.74 -1.46 0.57 0.00 -0.65 0.00 0.00 35.03 34.23 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 -3.68 -0.00 -0.01 -1.58 0.28 -1.26 0.24 120.64 114.63 1wmj n GLU 72 Ca 0.24 0.79 -0.18 0.00 -0.16 0.00 0.00 57.16 57.86 1wmj n GLU 72 Cb 0.99 -1.79 -0.14 0.00 1.43 0.00 0.00 31.44 31.93 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 1.52 -0.08 3.84 2.07 -0.85 -3.27 116.25 119.49 1wmj h VAL 73 Ca 0.67 -2.44 0.02 0.00 0.82 0.00 0.00 66.70 65.78 1wmj h VAL 73 Cb 2.62 3.16 -0.00 0.00 -1.52 0.00 0.00 31.29 35.54 1wmj h VAL 73 CO -0.06 0.65 0.07 0.00 0.02 0.00 0.00 177.57 178.26 1wmj h ALA 74 N 0.00 1.84 -0.08 1.67 0.00 0.29 -0.69 119.26 122.30 1wmj h ALA 74 Ca -0.12 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1wmj h ALA 74 Cb 1.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1wmj h ALA 74 CO 0.07 -0.11 -0.60 0.93 0.00 0.00 0.00 179.25 179.54 1wmj h GLU 75 N 0.00 0.26 -0.01 0.00 5.08 -1.23 0.94 114.58 119.62 1wmj h GLU 75 Ca 0.04 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.07 1wmj h GLU 75 Cb 0.18 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1wmj h GLU 75 CO -0.00 0.78 -0.71 1.57 -1.00 0.00 0.00 179.01 179.65 1wmj h LYS 76 N 0.19 0.08 -0.13 2.33 2.10 -1.18 -3.05 116.57 116.92 1wmj h LYS 76 Ca -0.01 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1wmj h LYS 76 Cb 1.11 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1wmj h LYS 76 CO 0.09 0.76 0.00 0.66 -2.00 0.00 0.00 179.45 178.96 1wmj n TYR 77 N -3.74 0.14 -2.62 0.07 4.01 -0.98 -5.00 117.16 109.05 1wmj n TYR 77 Ca -0.02 -0.07 -0.02 0.00 -0.16 0.00 0.00 57.90 57.64 1wmj n TYR 77 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.72 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 1.25 -6.35 -4.10 7.72 4.05 0.26 -5.03 115.26 113.05 1wmj n ASN 78 Ca 0.16 0.06 -0.33 0.00 0.45 0.00 0.00 54.58 54.93 1wmj n ASN 78 Cb 0.57 -4.23 -0.16 0.00 1.23 0.00 0.00 39.78 37.20 1wmj n ASN 78 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1wmj s VAL 79 N -2.79 2.06 -1.07 3.44 1.01 0.30 -4.99 120.40 118.36 1wmj s VAL 79 Ca 0.05 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1wmj s VAL 79 Cb -0.01 -1.95 0.20 0.00 0.00 0.00 0.00 36.38 34.61 1wmj s VAL 79 CO 0.56 0.38 2.23 -0.62 0.00 0.00 0.00 175.10 177.65 1wmj n GLU 80 N 4.58 4.44 -2.73 2.72 1.02 -1.26 -4.67 120.64 124.74 1wmj n GLU 80 Ca -0.19 -3.72 -0.04 0.00 -0.02 0.00 0.00 57.16 53.19 1wmj n GLU 80 Cb 0.48 -2.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.38 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 0.84 -2.90 0.00 0.62 0.00 -1.26 -5.00 120.51 112.82 1wmj n ALA 81 Ca 0.55 1.73 0.00 0.00 0.00 0.00 0.00 53.44 55.72 1wmj n ALA 81 Cb 0.29 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 16.20 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 1.97 0.00 0.00 0.00 0.00 -1.26 -4.55 117.12 113.28 1wmj n MET 82 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.40 1wmj n MET 82 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.68 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 -0.08 0.49 -1.72 3.17 -0.04 -1.25 0.14 135.00 135.70 1wmj n PRO 83 Ca 0.00 0.00 -0.63 0.00 -0.04 0.00 0.00 63.50 62.83 1wmj n PRO 83 Cb 0.00 -1.21 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.14 0.12 -0.60 0.52 -1.04 -1.26 0.11 114.28 112.28 1wmj n THR 84 Ca 0.00 -0.02 -0.04 0.00 -2.04 0.00 0.00 64.05 61.95 1wmj n THR 84 Cb 0.10 -0.78 -0.00 0.00 -1.82 0.00 0.00 70.33 67.83 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 4.44 0.27 -0.73 -1.42 3.72 -1.25 -0.40 117.46 122.09 1wmj n PHE 85 Ca 0.29 -1.19 -0.25 0.00 -0.05 0.00 0.00 57.45 56.25 1wmj n PHE 85 Cb 0.02 -0.63 -0.01 0.00 -0.94 0.00 0.00 39.48 37.92 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 1.34 -0.88 -4.42 4.37 -0.00 0.09 -4.18 117.00 113.32 1wmj n LEU 86 Ca 0.07 0.56 -0.27 0.00 -0.00 0.00 0.00 56.01 56.37 1wmj n LEU 86 Cb 0.53 -0.50 -0.12 0.00 -0.00 0.00 0.00 43.42 43.34 1wmj n LEU 86 CO 0.07 -1.75 -0.53 -0.36 -0.00 0.00 0.00 177.39 174.82 1wmj s PHE 87 N -0.62 2.29 -0.42 1.96 0.40 0.49 0.27 117.98 122.35 1wmj s PHE 87 Ca 0.33 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.35 1wmj s PHE 87 Cb -0.45 -1.13 0.17 0.00 0.51 0.00 0.00 43.02 42.12 1wmj s PHE 87 CO 0.31 0.51 0.35 -0.89 0.70 0.00 0.00 175.22 176.19 1wmj n ILE 88 N 0.23 -1.09 -2.76 0.64 2.08 -1.03 -2.48 119.36 114.95 1wmj n ILE 88 Ca -0.12 -3.50 -0.42 0.00 0.56 0.00 0.00 62.75 59.27 1wmj n ILE 88 Cb 0.56 -1.68 -0.03 0.00 -0.75 0.00 0.00 39.64 37.74 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 -0.03 4.31 0.00 0.38 2.20 -1.26 -3.29 119.74 122.05 1wmj s LYS 89 Ca 0.33 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.16 1wmj s LYS 89 Cb 0.04 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1wmj s LYS 89 CO -0.20 -0.44 0.00 -3.47 -0.36 0.00 0.00 175.35 170.88 1wmj n ASP 90 N 5.59 0.00 0.00 1.43 -0.08 -1.26 -3.78 116.55 118.44 1wmj n ASP 90 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1wmj n ASP 90 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 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 0.68 0.00 0.27 0.00 -1.21 -4.76 105.19 98.18 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 0.46 -3.15 4.61 0.00 -1.25 -5.12 120.51 116.07 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 0.22 -0.01 0.00 2.12 -1.26 -4.72 118.70 115.05 1wmj s GLU 93 Ca 0.00 0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.65 1wmj s GLU 93 Cb 0.00 0.14 -0.24 0.00 0.26 0.00 0.00 34.13 34.28 1wmj s GLU 93 CO 0.00 -0.34 0.79 0.00 -0.54 0.00 0.00 175.26 175.16 1wmj h ALA 94 N 7.60 0.53 0.00 6.30 0.00 -1.75 -3.45 119.26 128.48 1wmj h ALA 94 Ca -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.54 1wmj h ALA 94 Cb 1.18 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1wmj h ALA 94 CO -0.06 1.38 0.00 -0.25 0.00 0.00 0.00 179.25 180.32 1wmj n ASP 95 N -3.26 0.00 -4.07 0.00 8.00 -1.25 -5.00 116.55 110.97 1wmj n ASP 95 Ca -0.16 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.15 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 -1.87 1.60 0.00 -1.24 0.00 -1.26 0.19 119.74 117.15 1wmj s LYS 96 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 55.97 54.06 1wmj s LYS 96 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 37.83 37.63 1wmj s LYS 96 CO 0.00 -0.42 0.00 0.28 0.00 0.00 0.00 175.35 175.21 1wmj n VAL 97 N -0.60 0.00 0.00 1.79 0.31 -1.26 -4.90 118.33 113.67 1wmj n VAL 97 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 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 -0.71 2.52 0.31 -1.26 -4.45 118.33 114.74 1wmj n VAL 98 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1wmj n VAL 98 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 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 0.00 2.44 0.10 2.92 0.00 0.30 -2.78 105.19 108.17 1wmj n GLY 99 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 2.54 1.19 -3.99 4.61 0.00 -1.26 -4.63 120.51 118.97 1wmj n ALA 100 Ca 0.29 -0.21 -0.31 0.00 0.00 0.00 0.00 53.44 53.21 1wmj n ALA 100 Cb 0.65 -0.03 -0.15 0.00 0.00 0.00 0.00 19.45 19.92 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 1.90 0.00 0.00 1.81 -1.12 -4.97 118.95 116.58 1wmj s ARG 101 Ca 0.00 -1.08 0.29 0.00 -1.72 0.00 0.00 55.73 53.22 1wmj s ARG 101 Cb 0.00 -2.66 1.67 0.00 -0.45 0.00 0.00 34.95 33.51 1wmj s ARG 101 CO 0.00 -0.56 2.08 1.17 -0.68 0.00 0.00 175.30 177.31 1wmj n LYS 102 N 4.60 1.04 0.00 3.54 0.00 -1.26 -2.26 118.16 123.82 1wmj n LYS 102 Ca -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 58.31 58.11 1wmj n LYS 102 Cb 0.44 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 34.02 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 -0.88 0.23 -0.01 3.14 2.03 -1.26 -4.67 116.55 115.14 1wmj n ASP 103 Ca 0.21 -0.58 0.07 0.00 0.52 0.00 0.00 54.79 55.02 1wmj n ASP 103 Cb 0.12 0.57 -0.10 0.00 -0.72 0.00 0.00 41.12 40.99 1wmj n ASP 103 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1wmj n ASP 104 N -0.57 1.64 0.00 1.67 -0.08 -1.18 -4.34 116.55 113.68 1wmj n ASP 104 Ca 0.00 -0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 1wmj n ASP 104 Cb 0.01 1.53 0.00 0.00 2.34 0.00 0.00 41.12 45.00 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 -1.87 1.27 0.27 -2.67 7.94 -0.96 -2.84 117.00 118.14 1wmj n LEU 105 Ca -0.02 0.30 0.09 0.00 -1.11 0.00 0.00 56.01 55.28 1wmj n LEU 105 Cb 0.34 -0.28 0.47 0.00 0.53 0.00 0.00 43.42 44.48 1wmj n LEU 105 CO 0.29 -0.28 0.97 0.06 -1.11 0.00 0.00 177.39 177.32 1wmj h GLN 106 N 0.00 0.00 0.10 1.96 -0.00 -1.83 0.81 115.11 116.15 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 -0.00 0.00 -0.00 0.00 0.00 27.48 27.48 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 0.34 0.42 0.06 -1.24 -1.76 -3.13 115.58 110.27 1wmj h ASN 107 Ca 0.00 -0.37 -0.31 0.00 0.71 0.00 0.00 56.30 56.33 1wmj h ASN 107 Cb 0.93 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 39.88 1wmj h ASN 107 CO 0.00 1.29 -1.47 0.74 -1.29 0.00 0.00 177.43 176.70 1wmj h THR 108 N 0.06 1.26 0.00 -3.57 2.02 0.75 -3.24 112.91 110.19 1wmj h THR 108 Ca -0.12 -2.81 -0.03 0.00 0.77 0.00 0.00 66.41 64.23 1wmj h THR 108 Cb 1.94 2.89 -0.00 0.00 -1.74 0.00 0.00 68.15 71.23 1wmj h THR 108 CO 0.19 0.84 -0.13 0.40 0.37 0.00 0.00 175.52 177.19 1wmj h ILE 109 N 0.10 0.69 0.00 3.11 5.03 -1.38 -1.72 117.51 123.33 1wmj h ILE 109 Ca -0.23 -0.54 -0.19 0.00 -0.12 0.00 0.00 64.86 63.78 1wmj h ILE 109 Cb 2.06 1.33 -0.03 0.00 -3.03 0.00 0.00 36.82 37.15 1wmj h ILE 109 CO 0.21 0.13 -0.91 -0.37 -0.68 0.00 0.00 178.15 176.53 1wmj h VAL 110 N 0.00 1.65 0.00 1.67 -1.51 -1.61 1.15 116.25 117.60 1wmj h VAL 110 Ca -0.00 -3.12 -0.18 0.00 -1.23 0.00 0.00 66.70 62.17 1wmj h VAL 110 Cb 0.32 2.68 -0.03 0.00 -2.13 0.00 0.00 31.29 32.14 1wmj h VAL 110 CO 0.02 0.89 -0.85 0.07 -1.23 0.00 0.00 177.57 176.47 1wmj h LYS 111 N 0.00 0.00 0.00 5.19 2.10 -1.40 0.61 116.57 123.06 1wmj h LYS 111 Ca -0.01 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 58.21 1wmj h LYS 111 Cb 1.61 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.87 1wmj h LYS 111 CO 0.12 0.85 -2.48 0.72 -2.00 0.00 0.00 179.45 176.65 1wmj n HIS 112 N -3.33 0.00 -0.05 0.07 8.25 -0.72 -4.15 115.22 115.29 1wmj n HIS 112 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1wmj n HIS 112 Cb 0.87 -0.96 -0.15 0.00 1.12 0.00 0.00 29.99 30.87 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 -3.99 1.53 0.83 1.59 0.31 0.36 -4.11 118.33 114.86 1wmj n VAL 113 Ca -0.51 -0.81 0.13 0.00 -0.01 0.00 0.00 64.34 63.14 1wmj n VAL 113 Cb 0.90 -0.86 0.53 0.00 -0.91 0.00 0.00 33.84 33.50 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 1.67 -1.47 3.91 2.92 0.00 0.91 -4.79 105.19 108.35 1wmj n GLY 114 Ca -0.24 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.57 -1.11 0.00 4.61 0.00 -0.14 -4.34 120.51 117.96 1wmj n ALA 115 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1wmj n ALA 115 Cb 0.33 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 -3.53 0.00 -1.24 0.00 -1.04 -1.06 -5.06 114.28 102.36 1wmj n THR 116 Ca 0.09 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.26 1wmj n THR 116 Cb 0.44 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.91 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 -1.02 -3.51 -4.03 2.41 0.00 -0.63 -4.79 120.51 108.93 1wmj n ALA 117 Ca 0.00 0.42 -0.31 0.00 0.00 0.00 0.00 53.44 53.55 1wmj n ALA 117 Cb 0.00 -1.20 -0.16 0.00 0.00 0.00 0.00 19.45 18.09 1wmj n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj s ALA 118 N -2.22 2.11 0.51 0.00 0.00 -1.26 -4.93 121.76 115.97 1wmj s ALA 118 Ca 0.00 -1.22 -0.22 0.00 0.00 0.00 0.00 51.96 50.51 1wmj s ALA 118 Cb 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 23.12 21.79 1wmj s ALA 118 CO 0.00 -0.70 1.18 0.43 0.00 0.00 0.00 175.76 176.67 1wmj n SER 119 N 4.66 1.95 -1.47 0.00 7.64 -1.26 -4.72 113.62 120.41 1wmj n SER 119 Ca -0.16 0.98 0.19 0.00 1.01 0.00 0.00 58.87 60.89 1wmj n SER 119 Cb 0.47 -1.48 -0.06 0.00 -1.01 0.00 0.00 64.21 62.13 1wmj n SER 119 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wmj n ALA 120 N -0.92 -3.83 0.11 -0.43 0.00 -1.26 -5.01 120.51 109.17 1wmj n ALA 120 Ca 0.10 0.63 0.00 0.00 0.00 0.00 0.00 53.44 54.17 1wmj n ALA 120 Cb 0.43 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1wmj n ALA 120 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wmj n SER 121 N -4.34 -1.10 0.00 0.00 2.88 -1.26 -5.23 113.62 104.57 1wmj n SER 121 Ca -0.02 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1wmj n SER 121 Cb 0.68 1.19 0.00 0.00 -0.75 0.00 0.00 64.21 65.33 1wmj n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81