#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 2.69 -3.44 3.04 0.00 -1.26 -4.98 120.51 116.56 1wmj n ALA 2 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 53.44 52.79 1wmj n ALA 2 Cb 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 1wmj n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmj n ALA 3 N -2.00 -0.80 -2.72 0.00 0.00 -1.26 -2.26 120.51 111.47 1wmj n ALA 3 Ca -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.28 1wmj n ALA 3 Cb 0.40 -1.61 -0.00 0.00 0.00 0.00 0.00 19.45 18.24 1wmj n ALA 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wmj n GLU 4 N -2.81 -3.53 0.00 0.00 2.13 -1.26 -5.05 120.64 110.12 1wmj n GLU 4 Ca 0.08 2.81 0.00 0.00 0.66 0.00 0.00 57.16 60.71 1wmj n GLU 4 Cb 0.30 -5.32 0.00 0.00 0.27 0.00 0.00 31.44 26.69 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 0.77 2.43 -0.24 5.31 -0.58 -0.96 -4.93 120.64 122.44 1wmj n GLU 5 Ca -0.02 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.68 1wmj n GLU 5 Cb 0.04 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 30.95 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 2.43 3.91 0.62 0.00 -1.26 -4.85 105.19 111.04 1wmj n GLY 6 Ca 0.00 -0.22 -0.24 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 -0.75 2.04 -0.75 1.61 -7.23 -1.26 -3.47 120.40 110.58 1wmj s VAL 7 Ca 0.12 -1.39 -0.25 0.00 -1.81 0.00 0.00 61.98 58.64 1wmj s VAL 7 Cb 0.10 -2.42 -0.16 0.00 0.56 0.00 0.00 36.38 34.46 1wmj s VAL 7 CO 0.02 0.00 2.47 1.33 -0.31 0.00 0.00 175.10 178.61 1wmj n VAL 8 N -1.75 -0.04 -0.87 1.32 0.24 -1.24 -4.83 118.33 111.16 1wmj n VAL 8 Ca 0.02 -0.48 -0.36 0.00 -2.04 0.00 0.00 64.34 61.48 1wmj n VAL 8 Cb 0.63 -1.67 0.09 0.00 -1.47 0.00 0.00 33.84 31.42 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 7.70 0.00 -3.17 1.34 2.08 -1.26 -4.47 119.36 121.58 1wmj n ILE 9 Ca 0.51 -0.17 -0.21 0.00 0.56 0.00 0.00 62.75 63.44 1wmj n ILE 9 Cb 0.33 -0.25 -0.06 0.00 -0.75 0.00 0.00 39.64 38.91 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 -3.74 1.72 -1.14 -1.39 0.00 -1.25 0.13 120.51 114.85 1wmj n ALA 10 Ca -0.01 -2.83 -0.30 0.00 0.00 0.00 0.00 53.44 50.31 1wmj n ALA 10 Cb 0.68 -0.92 0.15 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 -4.00 -0.98 -1.46 0.00 8.25 -1.26 -4.11 115.22 111.66 1wmj n HIS 12 Ca 0.07 -0.98 -0.00 0.00 -0.26 0.00 0.00 57.72 56.54 1wmj n HIS 12 Cb 0.55 0.99 -0.00 0.00 1.12 0.00 0.00 29.99 32.65 1wmj n HIS 12 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1wmj n ASN 13 N -0.73 -0.02 0.00 0.41 6.94 -1.26 -4.87 115.26 115.73 1wmj n ASN 13 Ca -0.18 -0.47 0.00 0.00 -0.02 0.00 0.00 54.58 53.91 1wmj n ASN 13 Cb 0.73 0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.16 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 -0.18 -3.83 4.81 -1.26 -4.35 118.16 113.35 1wmj n LYS 14 Ca -0.01 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.60 1wmj n LYS 14 Cb 0.23 0.00 0.30 0.00 0.02 0.00 0.00 35.03 35.58 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 1.03 0.15 0.05 3.14 2.03 -1.26 0.32 116.55 122.02 1wmj n ASP 15 Ca 0.00 0.76 -0.21 0.00 0.52 0.00 0.00 54.79 55.86 1wmj n ASP 15 Cb 0.00 -0.37 -0.15 0.00 -0.72 0.00 0.00 41.12 39.88 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 -1.02 -0.67 5.08 -1.99 -3.31 114.58 112.99 1wmj h GLU 16 Ca 0.41 -0.54 0.25 0.00 -1.00 0.00 0.00 59.36 58.48 1wmj h GLU 16 Cb 1.17 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 30.52 1wmj h GLU 16 CO -0.33 1.26 0.64 0.35 -1.00 0.00 0.00 179.01 179.93 1wmj h PHE 17 N -0.26 0.77 -0.43 4.33 3.04 0.49 0.33 116.94 125.21 1wmj h PHE 17 Ca -0.22 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.66 1wmj h PHE 17 Cb 1.77 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 40.04 1wmj h PHE 17 CO 0.16 0.09 -0.11 -0.44 -2.02 0.00 0.00 178.31 176.00 1wmj h ASP 18 N 0.48 0.77 -0.20 0.41 3.32 -1.37 -1.79 116.42 118.04 1wmj h ASP 18 Ca 0.59 -0.23 0.06 0.00 0.02 0.00 0.00 57.03 57.47 1wmj h ASP 18 Cb 1.34 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1wmj h ASP 18 CO -0.33 0.90 0.56 0.00 -1.72 0.00 0.00 179.24 178.65 1wmj h ALA 19 N 1.17 1.80 0.00 3.45 0.00 -0.43 -0.82 119.26 124.43 1wmj h ALA 19 Ca 0.12 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.77 1wmj h ALA 19 Cb 0.58 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1wmj h ALA 19 CO 0.04 -0.66 -1.76 1.04 0.00 0.00 0.00 179.25 177.90 1wmj n GLN 20 N -3.06 0.42 0.29 0.00 3.00 -0.98 -3.92 117.38 113.13 1wmj n GLN 20 Ca 0.03 0.18 0.09 0.00 -0.01 0.00 0.00 57.00 57.29 1wmj n GLN 20 Cb 0.66 -1.20 0.48 0.00 0.00 0.00 0.00 30.24 30.17 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 -0.72 0.00 0.00 -1.09 4.05 -0.87 1.15 114.93 117.44 1wmj h MET 21 Ca -0.38 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 58.97 1wmj h MET 21 Cb 1.26 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.05 1wmj h MET 21 CO -0.23 0.00 -2.03 2.41 0.23 0.00 0.00 176.91 177.29 1wmj n THR 22 N -2.55 0.30 0.53 -0.77 -1.04 -0.36 -4.26 114.28 106.13 1wmj n THR 22 Ca -0.01 -0.57 -0.04 0.00 -2.04 0.00 0.00 64.05 61.39 1wmj n THR 22 Cb 0.53 -0.11 0.05 0.00 -1.82 0.00 0.00 70.33 68.98 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 -2.38 1.42 0.00 -2.82 5.02 0.39 -3.63 118.16 116.17 1wmj n LYS 23 Ca -0.09 -0.67 0.00 0.00 -2.02 0.00 0.00 58.31 55.53 1wmj n LYS 23 Cb 0.68 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 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 2.68 -0.21 7.82 0.00 -1.21 -4.28 120.51 125.46 1wmj n ALA 24 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 1wmj n ALA 24 Cb 0.69 0.34 0.02 0.00 0.00 0.00 0.00 19.45 20.49 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 1.06 0.14 0.00 2.10 -1.76 0.32 116.57 118.43 1wmj h LYS 25 Ca 0.00 -0.35 -0.34 0.00 -2.00 0.00 0.00 60.65 57.96 1wmj h LYS 25 Cb 0.67 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 1wmj h LYS 25 CO 0.00 1.05 -1.80 1.05 -2.00 0.00 0.00 179.45 177.75 1wmj h GLU 26 N 0.96 0.30 -0.08 0.07 4.11 -1.88 -3.35 114.58 114.72 1wmj h GLU 26 Ca 0.17 -0.51 -0.04 0.00 0.07 0.00 0.00 59.36 59.05 1wmj h GLU 26 Cb 0.58 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1wmj h GLU 26 CO 0.03 1.24 -0.14 0.00 0.07 0.00 0.00 179.01 180.22 1wmj h ALA 27 N 0.04 1.63 -0.37 1.06 0.00 -1.74 -3.47 119.26 116.42 1wmj h ALA 27 Ca -0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1wmj h ALA 27 Cb 1.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1wmj h ALA 27 CO 0.10 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1wmj n GLY 28 N -0.99 1.03 3.10 0.00 0.00 -0.02 -5.00 105.19 103.31 1wmj n GLY 28 Ca -0.02 -0.39 -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 -2.63 0.65 0.88 1.61 -2.85 -0.47 -5.01 119.74 111.92 1wmj s LYS 29 Ca 0.00 -1.05 -0.11 0.00 -1.00 0.00 0.00 55.97 53.81 1wmj s LYS 29 Cb 0.00 -0.15 0.12 0.00 -2.06 0.00 0.00 37.83 35.74 1wmj s LYS 29 CO 0.00 -0.01 1.10 0.08 0.10 0.00 0.00 175.35 176.62 1wmj s VAL 30 N -2.67 2.72 0.02 1.79 1.01 -0.63 -4.37 120.40 118.26 1wmj s VAL 30 Ca 0.01 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.28 1wmj s VAL 30 Cb -0.01 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1wmj s VAL 30 CO -0.03 -0.30 -0.15 -0.69 0.00 0.00 0.00 175.10 173.92 1wmj s VAL 31 N -2.84 3.00 -0.32 2.92 1.01 -1.23 -2.23 120.40 120.71 1wmj s VAL 31 Ca 0.64 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1wmj s VAL 31 Cb -0.19 -2.26 0.12 0.00 0.00 0.00 0.00 36.38 34.05 1wmj s VAL 31 CO 0.57 0.38 0.21 -0.63 0.00 0.00 0.00 175.10 175.63 1wmj s ILE 32 N -0.92 -0.09 -0.14 2.22 1.09 -1.26 -2.39 121.20 119.71 1wmj s ILE 32 Ca 0.15 -1.01 -0.14 0.00 -1.10 0.00 0.00 60.65 58.54 1wmj s ILE 32 Cb -0.11 -0.99 -0.05 0.00 -1.06 0.00 0.00 42.46 40.26 1wmj s ILE 32 CO 0.05 -0.75 0.33 -0.63 -0.10 0.00 0.00 174.94 173.84 1wmj s ILE 33 N 1.78 5.27 -0.65 2.92 1.09 0.57 -1.42 121.20 130.77 1wmj s ILE 33 Ca 0.12 0.63 -0.08 0.00 -1.10 0.00 0.00 60.65 60.23 1wmj s ILE 33 Cb -0.18 -3.66 0.17 0.00 -1.06 0.00 0.00 42.46 37.73 1wmj s ILE 33 CO -0.22 0.40 0.52 -1.81 -0.10 0.00 0.00 174.94 173.73 1wmj s ASP 34 N 0.32 5.83 0.46 3.58 1.01 0.28 -1.37 116.67 126.78 1wmj s ASP 34 Ca 0.19 -2.57 0.00 0.00 0.71 0.00 0.00 52.55 50.88 1wmj s ASP 34 Cb -0.14 -2.00 0.00 0.00 1.01 0.00 0.00 42.92 41.79 1wmj s ASP 34 CO 0.06 -0.51 0.00 0.49 0.21 0.00 0.00 175.17 175.41 1wmj n PHE 35 N 4.00 -1.51 0.00 4.23 3.72 -0.51 -1.27 117.46 126.12 1wmj n PHE 35 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1wmj n PHE 35 Cb 0.41 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 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 -1.79 0.00 0.06 4.37 5.66 -0.90 -4.05 114.28 117.63 1wmj n THR 36 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1wmj n THR 36 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1wmj n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wmj h ALA 37 N 0.00 -0.57 0.00 1.79 0.00 -1.78 -0.59 119.26 118.12 1wmj h ALA 37 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wmj h ALA 37 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wmj h ALA 37 CO 0.00 -0.55 0.00 0.45 0.00 0.00 0.00 179.25 179.15 1wmj n SER 38 N -2.76 0.00 -0.06 0.00 2.88 -1.26 -4.31 113.62 108.10 1wmj n SER 38 Ca -0.02 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.41 1wmj n SER 38 Cb 0.07 0.03 -0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1wmj n SER 38 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1wmj n TRP 39 N -1.47 0.00 -1.55 0.66 8.01 -1.26 -4.90 117.44 116.92 1wmj n TRP 39 Ca 0.00 0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 55.99 1wmj n TRP 39 Cb 0.00 -0.47 -0.07 0.00 -2.01 0.00 0.00 31.31 28.76 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 6.53 4.02 0.08 0.00 0.00 -1.26 -4.26 105.19 110.29 1wmj n GLY 41 Ca 0.46 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.06 -7.12 1.61 0.13 -1.84 -3.47 132.00 121.25 1wmj h PRO 42 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.52 1wmj h PRO 42 Cb 0.00 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 30.82 1wmj h PRO 42 CO 0.00 0.41 -0.91 0.00 -0.23 0.00 0.00 178.00 177.27 1wmj n ARG 44 N -4.21 0.00 -0.14 0.00 1.74 -1.26 -4.79 116.66 108.01 1wmj n ARG 44 Ca 0.02 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.99 1wmj n ARG 44 Cb 0.51 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.93 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 0.90 -0.59 -1.55 3.57 -2.00 -3.08 116.94 114.20 1wmj h PHE 45 Ca 0.00 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1wmj h PHE 45 Cb 0.00 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1wmj h PHE 45 CO 0.00 0.92 0.00 1.51 -2.23 0.00 0.00 178.31 178.51 1wmj n ILE 46 N -4.31 1.10 0.18 1.41 3.06 -1.26 -4.58 119.36 114.96 1wmj n ILE 46 Ca -0.01 -1.04 -0.14 0.00 -2.50 0.00 0.00 62.75 59.06 1wmj n ILE 46 Cb 0.37 0.45 -0.07 0.00 0.54 0.00 0.00 39.64 40.94 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 3.45 -0.54 0.00 1.51 0.00 -1.84 -1.30 119.26 120.54 1wmj h ALA 47 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wmj h ALA 47 Cb 0.95 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1wmj h ALA 47 CO 0.02 -0.83 0.00 -0.35 0.00 0.00 0.00 179.25 178.09 1wmj n PRO 48 N -5.38 0.49 -0.13 0.00 -0.04 -1.26 -2.93 135.00 125.75 1wmj n PRO 48 Ca -0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.10 1wmj n PRO 48 Cb 0.28 -1.28 -0.11 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 -0.54 -4.02 118.33 115.35 1wmj n VAL 49 Ca 0.07 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1wmj n VAL 49 Cb 0.03 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 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 -4.06 0.00 -0.28 3.52 3.72 -0.93 -0.55 117.46 118.88 1wmj n PHE 50 Ca -0.51 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 56.96 1wmj n PHE 50 Cb 0.89 -0.44 0.18 0.00 -0.94 0.00 0.00 39.48 39.18 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 0.86 -0.28 4.37 0.00 -1.84 0.73 119.26 121.10 1wmj h ALA 51 Ca 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1wmj h ALA 51 Cb 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1wmj h ALA 51 CO 0.00 -0.45 -0.03 1.05 0.00 0.00 0.00 179.25 179.82 1wmj h GLU 52 N 0.08 0.43 -0.10 0.00 4.11 -1.70 -2.95 114.58 114.46 1wmj h GLU 52 Ca 0.46 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 59.77 1wmj h GLU 52 Cb 0.83 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1wmj h GLU 52 CO -0.74 0.48 -0.05 1.88 0.07 0.00 0.00 179.01 180.66 1wmj h TYR 53 N 0.41 0.24 -0.99 2.06 -1.99 0.29 -2.52 116.97 114.47 1wmj h TYR 53 Ca 0.09 -0.06 0.32 0.00 2.00 0.00 0.00 58.73 61.08 1wmj h TYR 53 Cb 0.33 -0.06 -0.18 0.00 2.00 0.00 0.00 36.73 38.82 1wmj h TYR 53 CO 0.01 0.57 0.19 0.00 -0.00 0.00 0.00 178.16 178.93 1wmj h ALA 54 N 0.64 1.49 0.03 3.88 0.00 -0.77 0.65 119.26 125.18 1wmj h ALA 54 Ca 0.02 0.32 -0.26 0.00 0.00 0.00 0.00 54.91 54.99 1wmj h ALA 54 Cb 0.51 0.51 0.02 0.00 0.00 0.00 0.00 17.79 18.83 1wmj h ALA 54 CO 0.02 -0.69 -1.05 0.87 0.00 0.00 0.00 179.25 178.40 1wmj h LYS 55 N 0.01 0.66 -0.06 0.00 1.57 -1.58 -3.18 116.57 114.00 1wmj h LYS 55 Ca 0.68 -0.75 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1wmj h LYS 55 Cb 1.55 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 34.08 1wmj h LYS 55 CO -0.87 1.32 0.07 0.87 -0.57 0.00 0.00 179.45 180.27 1wmj h LYS 56 N 0.32 0.00 -3.38 3.15 1.57 0.62 -3.29 116.57 115.56 1wmj h LYS 56 Ca -0.14 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.98 1wmj h LYS 56 Cb 1.71 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.64 1wmj h LYS 56 CO 0.21 0.00 -0.48 -0.06 -0.57 0.00 0.00 179.45 178.54 1wmj s PHE 57 N -4.60 3.38 -1.38 -1.35 0.08 0.41 -4.91 117.98 109.61 1wmj s PHE 57 Ca -0.05 -3.05 0.15 0.00 0.12 0.00 0.00 56.93 54.10 1wmj s PHE 57 Cb 0.15 -2.96 0.73 0.00 -0.57 0.00 0.00 43.02 40.37 1wmj s PHE 57 CO 0.53 -0.74 1.41 -0.35 -0.10 0.00 0.00 175.22 175.98 1wmj n PRO 58 N 2.96 0.18 -0.42 0.24 -0.04 -1.24 -2.75 135.00 133.93 1wmj n PRO 58 Ca 0.10 0.16 0.03 0.00 -0.04 0.00 0.00 63.50 63.75 1wmj n PRO 58 Cb 0.35 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.50 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 2.14 3.45 0.55 0.00 -1.26 -4.88 105.19 105.15 1wmj n GLY 59 Ca 0.07 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.83 0.03 -0.21 4.61 0.00 -1.11 -1.61 121.76 121.63 1wmj s ALA 60 Ca 0.26 -0.99 0.11 0.00 0.00 0.00 0.00 51.96 51.35 1wmj s ALA 60 Cb 0.20 1.06 -0.21 0.00 0.00 0.00 0.00 23.12 24.17 1wmj s ALA 60 CO 0.08 -0.75 -0.04 1.33 0.00 0.00 0.00 175.76 176.38 1wmj n VAL 61 N -0.32 1.35 -1.30 0.00 0.24 -0.95 -4.92 118.33 112.43 1wmj n VAL 61 Ca -0.03 -0.71 0.15 0.00 -2.04 0.00 0.00 64.34 61.71 1wmj n VAL 61 Cb 0.63 -0.81 -0.08 0.00 -1.47 0.00 0.00 33.84 32.11 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 -2.90 -3.22 0.00 6.34 3.01 -1.26 -4.64 117.46 114.79 1wmj n PHE 62 Ca -0.36 1.78 0.00 0.00 1.01 0.00 0.00 57.45 59.88 1wmj n PHE 62 Cb 1.06 -2.93 0.00 0.00 -0.01 0.00 0.00 39.48 37.60 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 -4.12 0.00 -4.24 4.37 7.94 -0.50 -4.12 117.00 116.33 1wmj n LEU 63 Ca -0.08 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.52 1wmj n LEU 63 Cb 0.58 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 -0.55 -0.75 -1.11 0.00 0.00 177.39 175.01 1wmj s LYS 64 N -1.77 2.46 0.28 1.96 2.20 0.36 0.10 119.74 125.33 1wmj s LYS 64 Ca 0.00 -0.85 0.06 0.00 -0.36 0.00 0.00 55.97 54.83 1wmj s LYS 64 Cb 0.00 -2.06 -0.06 0.00 -1.51 0.00 0.00 37.83 34.20 1wmj s LYS 64 CO 0.00 0.33 -0.05 0.14 -0.36 0.00 0.00 175.35 175.41 1wmj s VAL 65 N -0.07 1.60 -0.23 4.02 -7.23 -0.40 0.13 120.40 118.23 1wmj s VAL 65 Ca -0.05 -2.11 -0.05 0.00 -1.81 0.00 0.00 61.98 57.96 1wmj s VAL 65 Cb -0.14 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 1wmj s VAL 65 CO 0.04 -0.28 -0.02 -0.62 -0.31 0.00 0.00 175.10 173.92 1wmj s ASP 66 N -3.45 4.49 -0.08 4.85 2.15 -1.26 -3.05 116.67 120.33 1wmj s ASP 66 Ca 0.30 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.92 1wmj s ASP 66 Cb 0.04 -1.78 0.09 0.00 -0.30 0.00 0.00 42.92 40.97 1wmj s ASP 66 CO 0.12 -0.03 1.44 1.33 -0.17 0.00 0.00 175.17 177.87 1wmj n VAL 67 N 4.83 1.65 0.00 1.11 0.24 -0.23 -2.74 118.33 123.19 1wmj n VAL 67 Ca -0.18 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1wmj n VAL 67 Cb 0.51 -1.11 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 0.56 3.14 -0.03 -1.34 2.03 -1.26 -4.41 116.55 115.24 1wmj n ASP 68 Ca 0.09 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.37 1wmj n ASP 68 Cb 0.62 0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 41.61 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 -0.95 1.31 -0.48 -0.67 0.28 -1.19 -4.74 120.64 114.21 1wmj n GLU 69 Ca 0.00 0.02 0.07 0.00 -0.16 0.00 0.00 57.16 57.09 1wmj n GLU 69 Cb 0.01 -1.12 0.13 0.00 1.43 0.00 0.00 31.44 31.89 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 -2.48 1.96 -0.33 -1.84 -0.00 -1.11 -4.84 117.00 108.36 1wmj n LEU 70 Ca -0.09 -2.92 0.27 0.00 -0.00 0.00 0.00 56.01 53.26 1wmj n LEU 70 Cb 0.63 -0.35 0.44 0.00 -0.00 0.00 0.00 43.42 44.13 1wmj n LEU 70 CO 0.07 0.85 0.79 2.29 -0.00 0.00 0.00 177.39 181.39 1wmj n LYS 71 N -0.89 -0.02 -0.44 1.47 2.85 -1.24 0.13 118.16 120.02 1wmj n LYS 71 Ca 0.13 0.73 0.36 0.00 -1.05 0.00 0.00 58.31 58.48 1wmj n LYS 71 Cb 0.73 -1.50 0.55 0.00 -0.65 0.00 0.00 35.03 34.16 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 -3.67 0.00 0.02 -1.58 0.28 -1.26 0.24 120.64 114.67 1wmj n GLU 72 Ca 0.25 0.84 -0.19 0.00 -0.16 0.00 0.00 57.16 57.91 1wmj n GLU 72 Cb 1.03 -1.99 -0.14 0.00 1.43 0.00 0.00 31.44 31.77 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 1.55 0.00 3.84 2.07 -0.71 -3.16 116.25 119.84 1wmj h VAL 73 Ca 0.63 -2.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.66 1wmj h VAL 73 Cb 2.79 3.21 -0.00 0.00 -1.52 0.00 0.00 31.29 35.77 1wmj h VAL 73 CO -0.01 0.69 -0.06 0.00 0.02 0.00 0.00 177.57 178.21 1wmj h ALA 74 N 0.05 1.38 -0.03 1.67 0.00 0.29 -2.15 119.26 120.47 1wmj h ALA 74 Ca -0.12 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 1wmj h ALA 74 Cb 1.50 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1wmj h ALA 74 CO 0.11 0.08 -0.96 0.93 0.00 0.00 0.00 179.25 179.40 1wmj h GLU 75 N 0.00 0.63 -0.46 0.00 5.08 -1.27 0.58 114.58 119.14 1wmj h GLU 75 Ca -0.00 -0.64 -0.04 0.00 -1.00 0.00 0.00 59.36 57.68 1wmj h GLU 75 Cb 0.17 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1wmj h GLU 75 CO 0.01 1.24 0.10 1.57 -1.00 0.00 0.00 179.01 180.93 1wmj h LYS 76 N 0.37 0.69 -0.00 2.33 2.10 -1.36 -2.37 116.57 118.33 1wmj h LYS 76 Ca -0.10 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 1wmj h LYS 76 Cb 1.61 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.83 1wmj h LYS 76 CO 0.18 0.64 -0.63 0.66 -2.00 0.00 0.00 179.45 178.31 1wmj n TYR 77 N -4.29 0.00 -2.55 0.07 4.01 -1.09 -5.01 117.16 108.29 1wmj n TYR 77 Ca 0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.76 1wmj n TYR 77 Cb 0.22 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.01 -6.08 0.00 7.72 4.05 0.37 -5.05 115.26 115.26 1wmj n ASN 78 Ca 0.07 0.05 0.00 0.00 0.45 0.00 0.00 54.58 55.15 1wmj n ASN 78 Cb 0.37 -4.03 0.00 0.00 1.23 0.00 0.00 39.78 37.35 1wmj n ASN 78 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1wmj n VAL 79 N -1.26 0.00 0.00 3.44 0.31 0.18 -5.00 118.33 115.99 1wmj n VAL 79 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1wmj n VAL 79 Cb 0.46 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 1wmj n VAL 79 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wmj n GLU 80 N 0.00 0.00 0.00 5.55 -0.58 -1.26 -4.95 120.64 119.40 1wmj n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1wmj n GLU 80 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1wmj n GLU 80 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wmj n ALA 81 N 0.00 0.00 -2.24 0.62 0.00 -1.26 -5.07 120.51 112.56 1wmj n ALA 81 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1wmj n ALA 81 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1wmj n ALA 81 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wmj s MET 82 N 0.00 1.28 0.00 0.00 -1.94 -1.26 -4.02 119.30 113.36 1wmj s MET 82 Ca 0.00 -1.68 0.00 0.00 -1.71 0.00 0.00 55.69 52.30 1wmj s MET 82 Cb 0.00 0.09 0.00 0.00 2.01 0.00 0.00 34.83 36.93 1wmj s MET 82 CO 0.00 -0.36 0.29 -0.35 -0.01 0.00 0.00 175.02 174.59 1wmj n PRO 83 N -0.34 0.49 -1.47 2.03 -0.04 -1.26 -2.12 135.00 132.29 1wmj n PRO 83 Ca 0.01 0.00 -0.57 0.00 -0.04 0.00 0.00 63.50 62.90 1wmj n PRO 83 Cb 0.66 -1.25 -0.08 0.00 -0.04 0.00 0.00 33.50 32.79 1wmj n PRO 83 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1wmj n THR 84 N 0.34 0.00 -0.56 0.52 -1.04 -1.26 -0.54 114.28 111.75 1wmj n THR 84 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1wmj n THR 84 Cb 0.14 -0.33 0.01 0.00 -1.82 0.00 0.00 70.33 68.33 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 2.97 0.34 -0.73 -1.42 3.72 -1.25 -1.42 117.46 119.66 1wmj n PHE 85 Ca 0.25 -1.20 -0.25 0.00 -0.05 0.00 0.00 57.45 56.20 1wmj n PHE 85 Cb -0.02 -0.59 -0.01 0.00 -0.94 0.00 0.00 39.48 37.91 1wmj n PHE 85 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1wmj n LEU 86 N 1.23 -0.94 -4.37 4.37 -0.00 -0.47 -4.22 117.00 112.60 1wmj n LEU 86 Ca 0.07 0.55 -0.28 0.00 -0.00 0.00 0.00 56.01 56.34 1wmj n LEU 86 Cb 0.52 -0.50 -0.13 0.00 -0.00 0.00 0.00 43.42 43.31 1wmj n LEU 86 CO 0.08 -1.80 -0.56 -0.36 -0.00 0.00 0.00 177.39 174.75 1wmj s PHE 87 N -0.65 2.23 -0.49 1.96 0.40 0.52 -0.31 117.98 121.64 1wmj s PHE 87 Ca 0.33 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.33 1wmj s PHE 87 Cb -0.45 -1.23 0.21 0.00 0.51 0.00 0.00 43.02 42.06 1wmj s PHE 87 CO 0.31 0.29 0.49 -0.89 0.70 0.00 0.00 175.22 176.12 1wmj n ILE 88 N 1.06 -0.06 -2.50 0.64 2.08 -1.00 -2.04 119.36 117.54 1wmj n ILE 88 Ca -0.18 -4.12 -0.43 0.00 0.56 0.00 0.00 62.75 58.59 1wmj n ILE 88 Cb 0.53 -1.91 -0.02 0.00 -0.75 0.00 0.00 39.64 37.49 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 -0.98 4.31 0.00 0.38 2.20 -1.26 -2.85 119.74 121.55 1wmj s LYS 89 Ca 0.33 1.59 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 1wmj s LYS 89 Cb 0.09 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1wmj s LYS 89 CO -0.14 -0.54 0.00 -3.47 -0.36 0.00 0.00 175.35 170.85 1wmj n ASP 90 N 5.76 0.00 0.00 1.43 2.03 -1.26 -3.61 116.55 120.91 1wmj n ASP 90 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1wmj n ASP 90 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1wmj n ASP 90 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wmj n GLY 91 N -2.00 0.94 0.00 0.27 0.00 -1.13 -4.80 105.19 98.47 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 1.08 -3.15 4.61 0.00 -1.24 -5.10 120.51 116.71 1wmj n ALA 92 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1wmj n ALA 92 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.06 -0.07 0.00 2.12 -1.26 -4.70 118.70 114.86 1wmj s GLU 93 Ca 0.00 0.10 0.11 0.00 0.36 0.00 0.00 54.97 55.55 1wmj s GLU 93 Cb 0.00 0.06 -0.23 0.00 0.26 0.00 0.00 34.13 34.21 1wmj s GLU 93 CO 0.00 -0.08 0.57 0.00 -0.54 0.00 0.00 175.26 175.21 1wmj n ALA 94 N 5.42 1.44 0.00 6.30 0.00 -0.86 -4.77 120.51 128.03 1wmj n ALA 94 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1wmj n ALA 94 Cb 0.55 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1wmj n ALA 94 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wmj n ASP 95 N -3.06 0.00 -3.96 0.00 8.00 -1.25 -5.00 116.55 111.29 1wmj n ASP 95 Ca -0.20 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.12 1wmj n ASP 95 Cb 1.06 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 42.07 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 -1.96 1.55 0.00 -1.24 0.00 -1.26 0.19 119.74 117.02 1wmj s LYS 96 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 55.97 54.09 1wmj s LYS 96 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 37.83 37.82 1wmj s LYS 96 CO 0.00 -0.46 0.00 0.28 0.00 0.00 0.00 175.35 175.17 1wmj n VAL 97 N -0.54 0.00 0.00 1.79 0.31 -1.26 -4.89 118.33 113.74 1wmj n VAL 97 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 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 -0.60 2.52 0.31 -1.26 -4.33 118.33 114.98 1wmj n VAL 98 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1wmj n VAL 98 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 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 -0.30 2.32 0.00 2.92 0.00 0.30 -2.61 105.19 107.83 1wmj n GLY 99 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 2.14 0.05 -3.04 4.61 0.00 -1.26 -4.50 120.51 118.51 1wmj n ALA 100 Ca 0.18 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 1wmj n ALA 100 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 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 2.87 0.00 0.00 1.81 -1.07 -4.91 118.95 117.66 1wmj s ARG 101 Ca 0.00 -1.43 0.25 0.00 -1.72 0.00 0.00 55.73 52.83 1wmj s ARG 101 Cb 0.00 -4.06 1.38 0.00 -0.45 0.00 0.00 34.95 31.82 1wmj s ARG 101 CO 0.00 -1.05 1.90 1.17 -0.68 0.00 0.00 175.30 176.64 1wmj n LYS 102 N 5.13 1.14 0.00 3.54 0.00 -1.26 -2.08 118.16 124.63 1wmj n LYS 102 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 58.31 57.98 1wmj n LYS 102 Cb 0.43 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 34.06 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 -0.66 0.01 -0.04 3.14 5.68 -1.26 -4.76 116.55 118.65 1wmj n ASP 103 Ca 0.19 -0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1wmj n ASP 103 Cb 0.14 0.52 -0.13 0.00 -1.14 0.00 0.00 41.12 40.51 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 -0.52 1.08 0.00 -1.12 -0.08 -1.21 -4.30 116.55 110.39 1wmj n ASP 104 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1wmj n ASP 104 Cb 0.00 1.34 0.00 0.00 2.34 0.00 0.00 41.12 44.80 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 -2.34 0.69 0.33 -2.67 7.94 -0.88 -1.93 117.00 118.13 1wmj n LEU 105 Ca -0.14 0.52 0.09 0.00 -1.11 0.00 0.00 56.01 55.36 1wmj n LEU 105 Cb 0.73 -0.28 0.47 0.00 0.53 0.00 0.00 43.42 44.87 1wmj n LEU 105 CO 0.35 -0.28 1.08 0.06 -1.11 0.00 0.00 177.39 177.48 1wmj h GLN 106 N 0.00 0.00 0.08 1.96 -0.00 -1.85 1.16 115.11 116.46 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 -1.22 -0.97 -0.00 0.00 0.00 178.83 176.64 1wmj h ASN 107 N 0.00 0.27 0.51 0.06 -1.24 -1.74 -3.14 115.58 110.30 1wmj h ASN 107 Ca 0.01 -0.30 -0.30 0.00 0.71 0.00 0.00 56.30 56.42 1wmj h ASN 107 Cb 1.25 -0.09 0.01 0.00 0.73 0.00 0.00 38.32 40.23 1wmj h ASN 107 CO -0.00 1.24 -1.34 0.74 -1.29 0.00 0.00 177.43 176.78 1wmj h THR 108 N 0.05 1.41 0.00 -3.57 2.02 0.20 -3.20 112.91 109.82 1wmj h THR 108 Ca -0.11 -2.94 -0.04 0.00 0.77 0.00 0.00 66.41 64.09 1wmj h THR 108 Cb 1.92 2.96 -0.01 0.00 -1.74 0.00 0.00 68.15 71.28 1wmj h THR 108 CO 0.17 0.87 -0.19 0.40 0.37 0.00 0.00 175.52 177.14 1wmj h ILE 109 N 0.09 0.77 0.01 3.11 5.03 -1.34 -1.99 117.51 123.19 1wmj h ILE 109 Ca -0.18 -0.76 -0.20 0.00 -0.12 0.00 0.00 64.86 63.60 1wmj h ILE 109 Cb 2.03 1.46 -0.02 0.00 -3.03 0.00 0.00 36.82 37.26 1wmj h ILE 109 CO 0.22 0.19 -0.92 -0.37 -0.68 0.00 0.00 178.15 176.59 1wmj h VAL 110 N 0.00 1.60 0.00 1.67 -1.51 -1.59 1.25 116.25 117.66 1wmj h VAL 110 Ca -0.00 -2.96 -0.16 0.00 -1.23 0.00 0.00 66.70 62.35 1wmj h VAL 110 Cb 0.45 2.63 -0.02 0.00 -2.13 0.00 0.00 31.29 32.21 1wmj h VAL 110 CO 0.02 0.85 -0.75 0.07 -1.23 0.00 0.00 177.57 176.53 1wmj h LYS 111 N 0.03 0.00 0.00 5.19 2.10 -1.43 0.48 116.57 122.94 1wmj h LYS 111 Ca -0.03 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 58.19 1wmj h LYS 111 Cb 1.59 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.86 1wmj h LYS 111 CO 0.13 0.75 -2.48 0.72 -2.00 0.00 0.00 179.45 176.57 1wmj n HIS 112 N -3.39 0.00 -0.06 0.07 8.25 -0.79 -4.07 115.22 115.23 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 0.80 -0.96 -0.15 0.00 1.12 0.00 0.00 29.99 30.81 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 -4.00 1.53 0.20 1.59 0.31 0.40 -4.20 118.33 114.16 1wmj n VAL 113 Ca -0.51 -0.80 0.09 0.00 -0.01 0.00 0.00 64.34 63.11 1wmj n VAL 113 Cb 0.89 -0.88 0.24 0.00 -0.91 0.00 0.00 33.84 33.19 1wmj n VAL 113 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1wmj h GLY 114 N 3.48 0.00 -0.58 2.92 0.00 0.20 -3.44 103.07 105.64 1wmj h GLY 114 Ca -0.41 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 1wmj h GLY 114 CO 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.47 1wmj n ALA 115 N -2.17 -0.10 0.00 3.60 0.00 0.14 -4.51 120.51 117.48 1wmj n ALA 115 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1wmj n ALA 115 Cb 0.55 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1wmj n ALA 115 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wmj n THR 116 N -1.63 0.00 -1.11 0.00 -2.24 -1.00 -5.03 114.28 103.27 1wmj n THR 116 Ca -0.06 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.84 1wmj n THR 116 Cb 0.40 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 1wmj n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wmj n ALA 117 N -1.16 -3.22 0.04 6.98 0.00 -0.73 -4.91 120.51 117.51 1wmj n ALA 117 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1wmj n ALA 117 Cb 0.17 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.63 3.00 -2.64 0.00 0.00 -1.26 -4.92 120.51 112.05 1wmj n ALA 118 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 1wmj n ALA 118 Cb 0.62 0.28 -0.04 0.00 0.00 0.00 0.00 19.45 20.31 1wmj n ALA 118 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wmj n SER 119 N -3.31 -1.27 -3.74 0.00 7.64 -1.26 -5.04 113.62 106.65 1wmj n SER 119 Ca 0.00 1.33 -0.24 0.00 1.01 0.00 0.00 58.87 60.97 1wmj n SER 119 Cb 0.14 -5.04 -0.17 0.00 -1.01 0.00 0.00 64.21 58.13 1wmj n SER 119 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wmj s ALA 120 N -0.69 0.73 -1.13 -0.43 0.00 -1.26 -5.07 121.76 113.90 1wmj s ALA 120 Ca -0.26 -0.29 -0.22 0.00 0.00 0.00 0.00 51.96 51.19 1wmj s ALA 120 Cb 0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 1wmj s ALA 120 CO 0.75 -0.75 1.81 0.45 0.00 0.00 0.00 175.76 178.02 1wmj s SER 121 N 1.97 5.76 0.00 0.00 0.15 -1.26 -5.23 113.70 115.09 1wmj s SER 121 Ca 0.03 -1.63 0.00 0.00 0.70 0.00 0.00 55.95 55.04 1wmj s SER 121 Cb -0.14 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1wmj s SER 121 CO -0.06 -2.27 0.21 0.00 1.20 0.00 0.00 173.24 172.32