#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 -1.91 -1.13 3.04 0.00 -1.26 -5.00 120.51 114.26 1wmj n ALA 2 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1wmj n ALA 2 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 1.94 0.65 -2.65 0.00 0.00 -1.26 -4.94 120.51 114.24 1wmj n ALA 3 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.13 1wmj n ALA 3 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 0.00 0.03 0.00 0.00 2.13 -1.26 -4.67 120.64 116.87 1wmj n GLU 4 Ca 0.00 -0.54 0.00 0.00 0.66 0.00 0.00 57.16 57.28 1wmj n GLU 4 Cb 0.41 -0.02 0.00 0.00 0.27 0.00 0.00 31.44 32.10 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 0.20 3.68 -0.04 5.31 -0.58 -1.26 -4.92 120.64 123.04 1wmj n GLU 5 Ca -0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1wmj n GLU 5 Cb 0.72 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.61 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 1.67 3.90 0.62 0.00 -1.26 -4.79 105.19 110.33 1wmj n GLY 6 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.86 1.91 -0.79 1.61 -7.23 -1.26 -3.53 120.40 110.24 1wmj s VAL 7 Ca 0.02 -1.44 -0.24 0.00 -1.81 0.00 0.00 61.98 58.51 1wmj s VAL 7 Cb 0.02 -2.34 -0.18 0.00 0.56 0.00 0.00 36.38 34.43 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 -1.73 -0.03 -0.95 1.32 0.24 -1.25 -4.80 118.33 111.14 1wmj n VAL 8 Ca 0.01 -0.46 -0.37 0.00 -2.04 0.00 0.00 64.34 61.48 1wmj n VAL 8 Cb 0.64 -1.47 0.06 0.00 -1.47 0.00 0.00 33.84 31.59 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 7.57 0.00 -3.13 1.34 2.08 -1.26 -4.38 119.36 121.58 1wmj n ILE 9 Ca 0.53 -0.18 -0.20 0.00 0.56 0.00 0.00 62.75 63.46 1wmj n ILE 9 Cb 0.30 -0.11 -0.05 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 -3.36 1.36 -1.00 -1.39 0.00 -1.25 0.22 120.51 115.08 1wmj n ALA 10 Ca -0.01 -2.63 0.00 0.00 0.00 0.00 0.00 53.44 50.79 1wmj n ALA 10 Cb 0.68 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.97 0.00 -1.72 0.00 1.44 -1.26 -4.46 115.22 107.25 1wmj n HIS 12 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1wmj n HIS 12 Cb 0.00 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 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 0.00 -0.09 0.00 4.39 0.23 -1.26 -4.71 115.26 113.83 1wmj n ASN 13 Ca 0.00 -0.79 0.00 0.00 -0.53 0.00 0.00 54.58 53.26 1wmj n ASN 13 Cb 0.00 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1wmj n ASN 13 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1wmj n LYS 14 N 0.00 0.00 -0.08 -3.83 4.81 -1.26 -4.45 118.16 113.35 1wmj n LYS 14 Ca -0.02 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.45 1wmj n LYS 14 Cb 0.38 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.50 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 1.45 -0.03 0.05 3.14 2.03 -1.26 0.35 116.55 122.28 1wmj n ASP 15 Ca 0.00 0.40 -0.20 0.00 0.52 0.00 0.00 54.79 55.51 1wmj n ASP 15 Cb 0.00 -0.15 -0.15 0.00 -0.72 0.00 0.00 41.12 40.11 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 0.31 -0.90 -0.67 5.08 -1.99 -3.25 114.58 113.15 1wmj h GLU 16 Ca 0.15 -0.53 0.18 0.00 -1.00 0.00 0.00 59.36 58.16 1wmj h GLU 16 Cb 0.30 0.20 -0.11 0.00 0.50 0.00 0.00 28.75 29.64 1wmj h GLU 16 CO -0.22 1.25 0.46 0.35 -1.00 0.00 0.00 179.01 179.85 1wmj h PHE 17 N -0.34 0.80 -0.55 4.33 3.04 0.57 0.13 116.94 124.93 1wmj h PHE 17 Ca -0.17 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 61.75 1wmj h PHE 17 Cb 1.69 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.95 1wmj h PHE 17 CO 0.19 0.12 0.07 -0.44 -2.02 0.00 0.00 178.31 176.22 1wmj h ASP 18 N 0.58 0.84 -0.18 0.41 3.32 -0.99 -2.13 116.42 118.26 1wmj h ASP 18 Ca 0.52 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.44 1wmj h ASP 18 Cb 0.85 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1wmj h ASP 18 CO -0.42 0.86 0.50 0.00 -1.72 0.00 0.00 179.24 178.46 1wmj h ALA 19 N 1.24 1.74 0.00 3.45 0.00 -0.77 -1.06 119.26 123.86 1wmj h ALA 19 Ca 0.17 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.68 1wmj h ALA 19 Cb 0.40 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1wmj h ALA 19 CO 0.01 -0.59 -2.31 1.04 0.00 0.00 0.00 179.25 177.40 1wmj n GLN 20 N -3.10 0.56 0.25 0.00 3.00 -0.89 -3.64 117.38 113.56 1wmj n GLN 20 Ca 0.03 0.24 0.10 0.00 -0.01 0.00 0.00 57.00 57.36 1wmj n GLN 20 Cb 0.59 -1.45 0.53 0.00 0.00 0.00 0.00 30.24 29.92 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 -0.97 0.00 0.00 -1.09 4.05 -0.79 0.77 114.93 116.91 1wmj h MET 21 Ca -0.60 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 58.79 1wmj h MET 21 Cb 1.52 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.31 1wmj h MET 21 CO -0.36 0.00 -1.95 2.41 0.23 0.00 0.00 176.91 177.23 1wmj n THR 22 N -2.46 0.11 0.73 -0.77 -1.04 -0.46 -4.27 114.28 106.13 1wmj n THR 22 Ca -0.01 -0.49 0.01 0.00 -2.04 0.00 0.00 64.05 61.51 1wmj n THR 22 Cb 0.41 -0.01 0.06 0.00 -1.82 0.00 0.00 70.33 68.97 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 -2.24 1.53 0.00 -2.82 5.02 0.27 -3.52 118.16 116.40 1wmj n LYS 23 Ca -0.06 -0.44 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 1wmj n LYS 23 Cb 0.58 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.10 2.11 -0.05 7.82 0.00 -1.19 -4.37 120.51 124.93 1wmj n ALA 24 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1wmj n ALA 24 Cb 0.40 0.44 -0.07 0.00 0.00 0.00 0.00 19.45 20.22 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 0.29 -0.14 0.00 2.10 -1.74 0.49 116.57 117.56 1wmj h LYS 25 Ca 0.00 -0.12 -0.13 0.00 -2.00 0.00 0.00 60.65 58.40 1wmj h LYS 25 Cb 0.88 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 1wmj h LYS 25 CO 0.00 0.60 -0.43 1.05 -2.00 0.00 0.00 179.45 178.67 1wmj h GLU 26 N -0.04 0.54 0.00 0.07 4.11 -1.87 -3.15 114.58 114.25 1wmj h GLU 26 Ca 0.03 -0.39 -0.07 0.00 0.07 0.00 0.00 59.36 59.00 1wmj h GLU 26 Cb 0.51 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1wmj h GLU 26 CO 0.02 1.01 -0.34 0.00 0.07 0.00 0.00 179.01 179.77 1wmj h ALA 27 N 0.53 1.08 -0.05 1.06 0.00 -1.76 -3.47 119.26 116.65 1wmj h ALA 27 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wmj h ALA 27 Cb 1.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wmj h ALA 27 CO 0.09 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1wmj n GLY 28 N 0.03 0.86 3.34 0.00 0.00 0.13 -5.03 105.19 104.52 1wmj n GLY 28 Ca -0.01 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.15 1.35 0.91 1.61 -2.85 0.11 -5.01 119.74 112.73 1wmj s LYS 29 Ca 0.00 -1.23 -0.11 0.00 -1.00 0.00 0.00 55.97 53.64 1wmj s LYS 29 Cb 0.00 -1.71 0.14 0.00 -2.06 0.00 0.00 37.83 34.20 1wmj s LYS 29 CO 0.00 0.41 1.11 0.08 0.10 0.00 0.00 175.35 177.05 1wmj s VAL 30 N -1.04 2.47 0.15 1.79 1.01 -0.75 -4.28 120.40 119.75 1wmj s VAL 30 Ca 0.11 0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.33 1wmj s VAL 30 Cb -0.10 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1wmj s VAL 30 CO 0.05 -0.20 -0.12 -0.69 0.00 0.00 0.00 175.10 174.14 1wmj s VAL 31 N -2.73 3.10 -0.33 2.92 1.01 -1.19 -2.03 120.40 121.15 1wmj s VAL 31 Ca 0.65 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1wmj s VAL 31 Cb -0.21 -2.50 0.14 0.00 0.00 0.00 0.00 36.38 33.81 1wmj s VAL 31 CO 0.58 -0.02 0.28 -0.63 0.00 0.00 0.00 175.10 175.31 1wmj s ILE 32 N -1.49 -0.20 -0.25 2.22 1.09 -1.26 -2.73 121.20 118.57 1wmj s ILE 32 Ca 0.22 -0.98 -0.18 0.00 -1.10 0.00 0.00 60.65 58.62 1wmj s ILE 32 Cb -0.10 -0.91 -0.03 0.00 -1.06 0.00 0.00 42.46 40.36 1wmj s ILE 32 CO 0.14 -0.67 0.49 -0.63 -0.10 0.00 0.00 174.94 174.17 1wmj s ILE 33 N 1.72 5.09 -0.74 2.92 1.09 0.12 -1.52 121.20 129.88 1wmj s ILE 33 Ca 0.14 0.85 -0.14 0.00 -1.10 0.00 0.00 60.65 60.40 1wmj s ILE 33 Cb -0.17 -3.81 0.19 0.00 -1.06 0.00 0.00 42.46 37.61 1wmj s ILE 33 CO -0.16 0.12 0.68 -1.81 -0.10 0.00 0.00 174.94 173.67 1wmj s ASP 34 N 1.46 6.53 0.53 3.58 1.01 0.20 -0.94 116.67 129.04 1wmj s ASP 34 Ca 0.21 -2.47 0.00 0.00 0.71 0.00 0.00 52.55 51.00 1wmj s ASP 34 Cb -0.16 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.59 1wmj s ASP 34 CO 0.09 -0.63 0.00 0.49 0.21 0.00 0.00 175.17 175.33 1wmj n PHE 35 N 4.27 -1.71 0.00 4.23 3.72 0.33 -1.30 117.46 127.00 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 0.45 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.78 0.00 0.00 4.37 5.66 -0.95 -4.08 114.28 117.50 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 -0.04 0.00 -0.25 1.79 0.00 -1.25 -2.02 120.51 118.74 1wmj n ALA 37 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.67 1wmj n ALA 37 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.84 1wmj n ALA 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wmj n SER 38 N 0.00 0.16 0.00 0.00 2.88 -1.26 -3.93 113.62 111.47 1wmj n SER 38 Ca 0.00 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1wmj n SER 38 Cb 0.00 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 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 -4.08 0.00 0.00 0.66 8.01 -1.26 -4.99 117.44 115.78 1wmj n TRP 39 Ca 0.24 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.43 1wmj n TRP 39 Cb 0.89 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.19 1wmj n TRP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1wmj s GLY 41 N 0.00 0.32 -0.02 0.00 0.00 -1.26 -3.91 107.32 102.45 1wmj s GLY 41 Ca 0.00 3.45 -0.24 0.00 0.00 0.00 0.00 44.72 47.93 1wmj s GLY 41 CO 0.00 1.89 1.11 -0.56 0.00 0.00 0.00 173.10 175.54 1wmj h PRO 42 N 3.14 -0.23 -4.54 2.90 0.13 -2.03 -3.45 132.00 127.91 1wmj h PRO 42 Ca -0.26 0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.69 1wmj h PRO 42 Cb 1.20 0.05 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 1wmj h PRO 42 CO 0.18 0.17 -0.28 0.00 -0.23 0.00 0.00 178.00 177.83 1wmj n ARG 44 N -2.12 0.00 -0.01 0.00 1.74 -1.26 -4.42 116.66 110.59 1wmj n ARG 44 Ca 0.04 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.95 1wmj n ARG 44 Cb 0.29 -0.22 -0.11 0.00 -1.02 0.00 0.00 32.46 31.40 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 0.44 -0.53 -1.55 3.57 -2.00 -3.32 116.94 113.55 1wmj h PHE 45 Ca 0.00 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1wmj h PHE 45 Cb 0.41 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1wmj h PHE 45 CO 0.00 1.07 0.00 1.51 -2.23 0.00 0.00 178.31 178.66 1wmj n ILE 46 N -4.34 0.90 0.14 1.41 3.06 -1.26 -4.59 119.36 114.68 1wmj n ILE 46 Ca -0.10 -0.95 -0.14 0.00 -2.50 0.00 0.00 62.75 59.06 1wmj n ILE 46 Cb 0.61 0.59 -0.06 0.00 0.54 0.00 0.00 39.64 41.31 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 -0.56 0.00 1.51 0.00 -1.77 -0.61 119.26 121.29 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 0.88 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1wmj h ALA 47 CO 0.00 -0.86 0.00 -0.35 0.00 0.00 0.00 179.25 178.04 1wmj n PRO 48 N -5.41 0.49 -0.13 0.00 -0.04 -1.26 -2.95 135.00 125.69 1wmj n PRO 48 Ca -0.07 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.11 1wmj n PRO 48 Cb 0.32 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1wmj n PRO 48 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wmj n VAL 49 N -0.77 1.49 0.00 0.52 0.31 -0.30 -4.02 118.33 115.55 1wmj n VAL 49 Ca 0.06 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1wmj n VAL 49 Cb 0.03 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 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 -4.04 0.00 -0.20 3.52 3.72 -0.79 -0.29 117.46 119.38 1wmj n PHE 50 Ca -0.52 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 56.86 1wmj n PHE 50 Cb 0.90 -0.42 0.05 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.29 -0.11 4.37 0.00 -1.85 0.50 119.26 120.46 1wmj h ALA 51 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1wmj h ALA 51 Cb 0.00 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1wmj h ALA 51 CO 0.00 -0.49 0.07 1.05 0.00 0.00 0.00 179.25 179.88 1wmj h GLU 52 N -0.05 0.10 -0.04 0.00 4.11 -1.69 -2.54 114.58 114.46 1wmj h GLU 52 Ca 0.28 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.65 1wmj h GLU 52 Cb 0.49 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1wmj h GLU 52 CO -0.64 0.07 -0.20 1.88 0.07 0.00 0.00 179.01 180.18 1wmj h TYR 53 N 0.10 0.28 -0.99 2.06 -1.99 0.30 -2.82 116.97 113.91 1wmj h TYR 53 Ca 0.04 -0.12 0.36 0.00 2.00 0.00 0.00 58.73 61.01 1wmj h TYR 53 Cb 0.05 -0.04 -0.18 0.00 2.00 0.00 0.00 36.73 38.55 1wmj h TYR 53 CO -0.00 0.84 0.35 0.00 -0.00 0.00 0.00 178.16 179.35 1wmj h ALA 54 N 0.38 1.78 0.12 3.88 0.00 -0.35 0.70 119.26 125.77 1wmj h ALA 54 Ca -0.01 0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.89 1wmj h ALA 54 Cb 0.87 0.42 0.03 0.00 0.00 0.00 0.00 17.79 19.10 1wmj h ALA 54 CO 0.04 -0.79 -1.25 0.87 0.00 0.00 0.00 179.25 178.12 1wmj h LYS 55 N 0.03 0.63 -0.53 0.00 1.57 -1.59 -3.24 116.57 113.44 1wmj h LYS 55 Ca 0.75 -0.84 0.13 0.00 -1.87 0.00 0.00 60.65 58.82 1wmj h LYS 55 Cb 1.83 0.28 -0.03 0.00 0.08 0.00 0.00 32.23 34.39 1wmj h LYS 55 CO -0.81 1.38 0.37 0.87 -0.57 0.00 0.00 179.45 180.69 1wmj h LYS 56 N 0.28 0.14 -3.61 3.15 1.57 0.59 -3.28 116.57 115.41 1wmj h LYS 56 Ca -0.19 -0.01 -0.71 0.00 -1.87 0.00 0.00 60.65 57.87 1wmj h LYS 56 Cb 1.92 -0.03 -0.34 0.00 0.08 0.00 0.00 32.23 33.86 1wmj h LYS 56 CO 0.24 0.09 -0.28 -0.06 -0.57 0.00 0.00 179.45 178.87 1wmj s PHE 57 N -5.15 3.47 -1.68 -1.35 0.08 -0.13 -4.90 117.98 108.31 1wmj s PHE 57 Ca -0.06 -2.60 0.15 0.00 0.12 0.00 0.00 56.93 54.55 1wmj s PHE 57 Cb 0.20 -3.31 0.83 0.00 -0.57 0.00 0.00 43.02 40.17 1wmj s PHE 57 CO 0.73 -0.86 1.38 -0.35 -0.10 0.00 0.00 175.22 176.02 1wmj n PRO 58 N 3.54 0.33 -0.76 0.24 -0.04 -1.24 -2.69 135.00 134.38 1wmj n PRO 58 Ca 0.09 0.08 0.02 0.00 -0.04 0.00 0.00 63.50 63.65 1wmj n PRO 58 Cb 0.39 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.65 1wmj n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wmj n GLY 59 N -0.02 2.89 3.28 0.55 0.00 -1.26 -4.92 105.19 105.70 1wmj n GLY 59 Ca 0.09 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.45 0.01 -0.18 4.61 0.00 -1.09 -1.81 121.76 120.84 1wmj s ALA 60 Ca 0.44 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.61 1wmj s ALA 60 Cb 0.34 0.75 -0.22 0.00 0.00 0.00 0.00 23.12 24.00 1wmj s ALA 60 CO 0.12 -0.59 0.11 1.33 0.00 0.00 0.00 175.76 176.73 1wmj n VAL 61 N -0.16 1.52 -1.34 0.00 0.24 -0.86 -4.94 118.33 112.79 1wmj n VAL 61 Ca -0.09 -0.72 0.15 0.00 -2.04 0.00 0.00 64.34 61.64 1wmj n VAL 61 Cb 0.63 -1.09 -0.08 0.00 -1.47 0.00 0.00 33.84 31.82 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 -3.09 -3.41 0.00 6.34 3.01 -1.26 -4.65 117.46 114.40 1wmj n PHE 62 Ca -0.35 1.89 0.00 0.00 1.01 0.00 0.00 57.45 60.00 1wmj n PHE 62 Cb 1.07 -3.10 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 -4.21 0.00 -4.20 4.37 7.94 -0.58 -4.08 117.00 116.25 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 0.60 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.39 1wmj n LEU 63 CO 0.03 0.00 -0.54 -0.75 -1.11 0.00 0.00 177.39 175.02 1wmj s LYS 64 N -1.93 2.41 0.13 1.96 2.20 0.59 0.60 119.74 125.71 1wmj s LYS 64 Ca 0.00 -0.79 0.04 0.00 -0.36 0.00 0.00 55.97 54.86 1wmj s LYS 64 Cb 0.00 -1.98 -0.04 0.00 -1.51 0.00 0.00 37.83 34.29 1wmj s LYS 64 CO 0.00 0.27 -0.09 0.54 -0.36 0.00 0.00 175.35 175.72 1wmj s VAL 65 N 0.07 1.01 -0.24 4.02 0.11 -0.42 -0.27 120.40 124.67 1wmj s VAL 65 Ca -0.08 -2.02 -0.06 0.00 -2.93 0.00 0.00 61.98 56.89 1wmj s VAL 65 Cb -0.14 -1.81 -0.01 0.00 -1.53 0.00 0.00 36.38 32.88 1wmj s VAL 65 CO 0.05 -0.78 0.01 -0.62 -3.33 0.00 0.00 175.10 170.43 1wmj s ASP 66 N -3.13 4.72 0.00 3.54 2.15 -1.26 -2.68 116.67 120.00 1wmj s ASP 66 Ca 0.15 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 52.78 1wmj s ASP 66 Cb 0.04 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.83 1wmj s ASP 66 CO -0.01 -0.04 1.35 1.33 -0.17 0.00 0.00 175.17 177.62 1wmj n VAL 67 N 4.85 1.35 0.00 1.11 0.24 -0.85 -2.74 118.33 122.29 1wmj n VAL 67 Ca -0.17 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 1wmj n VAL 67 Cb 0.51 -1.22 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 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 1.18 2.98 -0.06 -1.34 -0.08 -1.26 -4.37 116.55 113.60 1wmj n ASP 68 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 1wmj n ASP 68 Cb 0.42 0.54 -0.06 0.00 2.34 0.00 0.00 41.12 44.36 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 -0.99 0.53 -0.36 -0.67 0.28 -1.11 -4.72 120.64 113.61 1wmj n GLU 69 Ca 0.00 0.07 0.06 0.00 -0.16 0.00 0.00 57.16 57.13 1wmj n GLU 69 Cb 0.06 -1.26 0.10 0.00 1.43 0.00 0.00 31.44 31.76 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 -2.83 1.56 -0.29 -1.84 -0.00 -1.17 -4.85 117.00 107.57 1wmj n LEU 70 Ca -0.23 -2.44 0.24 0.00 -0.00 0.00 0.00 56.01 53.58 1wmj n LEU 70 Cb 0.76 -0.28 0.39 0.00 -0.00 0.00 0.00 43.42 44.29 1wmj n LEU 70 CO 0.14 0.62 0.70 2.29 -0.00 0.00 0.00 177.39 181.15 1wmj n LYS 71 N -0.82 -0.02 -0.51 1.47 2.85 -1.24 0.08 118.16 119.97 1wmj n LYS 71 Ca 0.11 0.66 0.39 0.00 -1.05 0.00 0.00 58.31 58.42 1wmj n LYS 71 Cb 0.70 -1.36 0.60 0.00 -0.65 0.00 0.00 35.03 34.32 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 -3.60 0.00 -0.01 -1.58 0.28 -1.26 0.24 120.64 114.71 1wmj n GLU 72 Ca 0.23 0.80 -0.16 0.00 -0.16 0.00 0.00 57.16 57.86 1wmj n GLU 72 Cb 0.92 -1.85 -0.13 0.00 1.43 0.00 0.00 31.44 31.81 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 -0.18 3.84 2.07 -0.77 -3.20 116.25 119.61 1wmj h VAL 73 Ca 0.68 -2.26 -0.03 0.00 0.82 0.00 0.00 66.70 65.92 1wmj h VAL 73 Cb 2.78 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 35.62 1wmj h VAL 73 CO -0.01 0.62 -0.00 0.00 0.02 0.00 0.00 177.57 178.20 1wmj h ALA 74 N 0.13 1.66 0.00 1.67 0.00 0.30 -1.51 119.26 121.51 1wmj h ALA 74 Ca -0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1wmj h ALA 74 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1wmj h ALA 74 CO 0.07 0.26 -0.27 0.93 0.00 0.00 0.00 179.25 180.24 1wmj h GLU 75 N 0.26 0.00 0.00 0.00 5.08 -1.20 0.44 114.58 119.16 1wmj h GLU 75 Ca 0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.26 1wmj h GLU 75 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1wmj h GLU 75 CO 0.00 0.27 -0.77 1.57 -1.00 0.00 0.00 179.01 179.09 1wmj h LYS 76 N 0.00 0.00 0.00 2.33 2.10 -1.27 -3.25 116.57 116.48 1wmj h LYS 76 Ca -0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 1wmj h LYS 76 Cb 0.63 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.94 1wmj h LYS 76 CO 0.03 0.77 -1.81 0.66 -2.00 0.00 0.00 179.45 177.10 1wmj n TYR 77 N -3.57 0.42 -1.43 0.07 4.01 -1.00 -5.03 117.16 110.63 1wmj n TYR 77 Ca -0.00 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1wmj n TYR 77 Cb 0.76 -0.86 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 1wmj n TYR 77 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1wmj n ASN 78 N -2.63 -1.91 0.03 7.72 4.05 0.15 -5.01 115.26 117.67 1wmj n ASN 78 Ca -0.13 0.00 0.04 0.00 0.45 0.00 0.00 54.58 54.94 1wmj n ASN 78 Cb 0.80 -0.68 -0.09 0.00 1.23 0.00 0.00 39.78 41.05 1wmj n ASN 78 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1wmj n VAL 79 N -1.23 0.85 0.00 3.44 0.24 -0.90 -5.00 118.33 115.73 1wmj n VAL 79 Ca 0.00 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 1wmj n VAL 79 Cb 0.48 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 -2.70 0.00 0.00 7.34 -0.58 -1.26 -4.50 120.64 118.93 1wmj n GLU 80 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1wmj n GLU 80 Cb 0.75 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.62 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 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 -0.35 -0.19 0.00 0.00 -1.26 -4.39 117.12 110.94 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 -0.46 0.49 -1.67 3.17 -0.04 -1.26 -2.24 135.00 132.99 1wmj n PRO 83 Ca 0.00 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.00 1wmj n PRO 83 Cb 0.00 -1.26 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 1wmj n PRO 83 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1wmj n THR 84 N 1.52 0.03 -0.83 0.52 -1.04 -1.26 0.26 114.28 113.48 1wmj n THR 84 Ca 0.00 -0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.88 1wmj n THR 84 Cb 0.24 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 1wmj n THR 84 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1wmj n PHE 85 N 3.59 0.98 -0.92 -1.42 7.35 -1.25 -0.51 117.46 125.28 1wmj n PHE 85 Ca 0.17 -1.64 -0.30 0.00 -0.76 0.00 0.00 57.45 54.92 1wmj n PHE 85 Cb 0.29 -0.90 -0.00 0.00 0.35 0.00 0.00 39.48 39.22 1wmj n PHE 85 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1wmj n LEU 86 N 0.88 -1.88 -4.37 -2.13 -0.00 -0.12 -3.97 117.00 105.41 1wmj n LEU 86 Ca 0.23 0.59 -0.22 0.00 -0.00 0.00 0.00 56.01 56.61 1wmj n LEU 86 Cb 0.57 -0.62 -0.11 0.00 -0.00 0.00 0.00 43.42 43.26 1wmj n LEU 86 CO 0.24 -2.84 -0.48 -0.36 -0.00 0.00 0.00 177.39 173.95 1wmj s PHE 87 N -1.12 1.96 -0.42 1.96 0.40 0.70 0.16 117.98 121.62 1wmj s PHE 87 Ca 0.42 -0.44 0.04 0.00 -0.60 0.00 0.00 56.93 56.35 1wmj s PHE 87 Cb -0.47 -0.94 0.17 0.00 0.51 0.00 0.00 43.02 42.29 1wmj s PHE 87 CO 0.43 0.43 0.38 0.42 0.70 0.00 0.00 175.22 177.58 1wmj s ILE 88 N -2.20 0.17 -0.23 0.64 -1.09 -1.11 -2.52 121.20 114.88 1wmj s ILE 88 Ca 0.20 -2.43 -0.28 0.00 -2.23 0.00 0.00 60.65 55.91 1wmj s ILE 88 Cb -0.05 -1.10 0.00 0.00 -1.58 0.00 0.00 42.46 39.73 1wmj s ILE 88 CO 0.08 -1.09 0.98 -0.75 -1.23 0.00 0.00 174.94 172.94 1wmj s LYS 89 N 0.19 4.25 0.00 2.79 2.20 -1.26 -3.17 119.74 124.74 1wmj s LYS 89 Ca 0.32 1.26 0.00 0.00 -0.36 0.00 0.00 55.97 57.19 1wmj s LYS 89 Cb 0.03 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1wmj s LYS 89 CO -0.18 -0.58 0.00 -3.47 -0.36 0.00 0.00 175.35 170.76 1wmj n ASP 90 N 6.15 0.00 0.00 1.43 2.03 -1.26 -3.71 116.55 121.20 1wmj n ASP 90 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 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 0.85 0.00 0.27 0.00 -1.20 -4.82 105.19 98.30 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 0.75 -3.12 4.61 0.00 -1.24 -5.11 120.51 116.40 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 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.09 0.16 0.07 0.00 2.12 -1.26 -4.70 118.70 115.17 1wmj s GLU 93 Ca 0.00 0.13 -0.06 0.00 0.36 0.00 0.00 54.97 55.39 1wmj s GLU 93 Cb 0.00 0.06 -0.29 0.00 0.26 0.00 0.00 34.13 34.16 1wmj s GLU 93 CO 0.00 -0.28 1.12 0.00 -0.54 0.00 0.00 175.26 175.56 1wmj h ALA 94 N 7.11 0.05 0.00 6.30 0.00 -1.77 -3.45 119.26 127.50 1wmj h ALA 94 Ca -0.09 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1wmj h ALA 94 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wmj h ALA 94 CO -0.09 0.92 0.00 -0.25 0.00 0.00 0.00 179.25 179.84 1wmj n ASP 95 N -3.57 0.00 -4.21 0.00 9.92 -1.25 -4.99 116.55 112.45 1wmj n ASP 95 Ca -0.10 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 53.98 1wmj n ASP 95 Cb 1.04 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 41.42 1wmj n ASP 95 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1wmj s LYS 96 N -1.98 1.51 0.00 -1.24 0.00 -1.26 0.25 119.74 117.02 1wmj s LYS 96 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 55.97 54.13 1wmj s LYS 96 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 37.83 37.58 1wmj s LYS 96 CO 0.00 -0.35 0.00 0.28 0.00 0.00 0.00 175.35 175.28 1wmj n VAL 97 N -0.54 0.00 0.00 1.79 0.31 -1.26 -4.88 118.33 113.76 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 0.66 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 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 -0.96 2.52 0.31 -1.26 -4.27 118.33 114.67 1wmj n VAL 98 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1wmj n VAL 98 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -0.50 3.81 0.11 2.92 0.00 0.74 -3.50 105.19 108.76 1wmj n GLY 99 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 0.82 1.22 -4.06 4.61 0.00 -1.26 -4.74 120.51 117.10 1wmj n ALA 100 Ca 0.30 -0.29 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 1wmj n ALA 100 Cb 0.59 -0.05 -0.16 0.00 0.00 0.00 0.00 19.45 19.83 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 2.45 -0.06 0.00 0.52 -1.23 -4.98 118.95 115.66 1wmj s ARG 101 Ca 0.00 -0.86 0.13 0.00 -0.52 0.00 0.00 55.73 54.48 1wmj s ARG 101 Cb 0.00 -2.48 0.47 0.00 0.52 0.00 0.00 34.95 33.46 1wmj s ARG 101 CO 0.00 -0.33 1.34 1.17 0.02 0.00 0.00 175.30 177.49 1wmj n LYS 102 N 4.64 2.65 0.00 3.54 0.00 -1.26 -3.11 118.16 124.62 1wmj n LYS 102 Ca -0.17 -1.85 0.00 0.00 0.00 0.00 0.00 58.31 56.29 1wmj n LYS 102 Cb 0.48 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.90 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 0.72 0.30 -0.03 3.14 -0.08 -1.26 -4.79 116.55 114.54 1wmj n ASP 103 Ca 0.17 -0.74 -0.03 0.00 -1.51 0.00 0.00 54.79 52.68 1wmj n ASP 103 Cb 0.58 0.15 -0.05 0.00 2.34 0.00 0.00 41.12 44.15 1wmj n ASP 103 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1wmj n ASP 104 N -0.15 3.54 0.00 1.67 -0.08 -1.25 -4.46 116.55 115.82 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 0.09 0.57 0.00 0.00 2.34 0.00 0.00 41.12 44.12 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 -2.26 0.07 -0.32 -2.67 7.94 -1.18 -1.34 117.00 117.24 1wmj n LEU 105 Ca -0.10 0.81 0.26 0.00 -1.11 0.00 0.00 56.01 55.87 1wmj n LEU 105 Cb 0.69 -0.35 0.57 0.00 0.53 0.00 0.00 43.42 44.85 1wmj n LEU 105 CO 0.12 -0.35 1.24 0.06 -1.11 0.00 0.00 177.39 177.35 1wmj h GLN 106 N 0.00 0.28 0.00 1.96 -0.00 -1.87 0.86 115.11 116.34 1wmj h GLN 106 Ca 0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.57 1wmj h GLN 106 Cb 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 27.41 1wmj h GLN 106 CO 0.00 0.19 -0.28 -0.97 -0.00 0.00 0.00 178.83 177.77 1wmj h ASN 107 N 0.29 0.00 0.11 0.06 -1.24 -1.76 -2.43 115.58 110.62 1wmj h ASN 107 Ca 0.59 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 57.36 1wmj h ASN 107 Cb 1.68 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.74 1wmj h ASN 107 CO -0.23 0.28 -1.18 0.74 -1.29 0.00 0.00 177.43 175.75 1wmj h THR 108 N 0.00 1.19 -0.08 -3.57 2.02 0.20 -3.25 112.91 109.42 1wmj h THR 108 Ca -0.00 -2.43 0.02 0.00 0.77 0.00 0.00 66.41 64.77 1wmj h THR 108 Cb 0.52 2.86 -0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1wmj h THR 108 CO 0.04 0.68 0.09 0.40 0.37 0.00 0.00 175.52 177.10 1wmj h ILE 109 N -0.38 0.55 0.00 3.11 5.03 -1.00 0.14 117.51 124.95 1wmj h ILE 109 Ca -0.25 0.00 -0.18 0.00 -0.12 0.00 0.00 64.86 64.31 1wmj h ILE 109 Cb 1.68 0.93 -0.03 0.00 -3.03 0.00 0.00 36.82 36.37 1wmj h ILE 109 CO 0.07 0.00 -0.88 -0.37 -0.68 0.00 0.00 178.15 176.29 1wmj h VAL 110 N 0.00 1.54 0.00 1.67 -1.51 -1.54 1.04 116.25 117.46 1wmj h VAL 110 Ca 0.04 -3.09 -0.17 0.00 -1.23 0.00 0.00 66.70 62.25 1wmj h VAL 110 Cb 0.21 2.71 -0.02 0.00 -2.13 0.00 0.00 31.29 32.06 1wmj h VAL 110 CO -0.00 0.86 -0.86 0.07 -1.23 0.00 0.00 177.57 176.41 1wmj h LYS 111 N 0.00 0.00 0.00 5.19 2.10 -1.06 -0.16 116.57 122.64 1wmj h LYS 111 Ca -0.01 0.00 -0.41 0.00 -2.00 0.00 0.00 60.65 58.23 1wmj h LYS 111 Cb 1.64 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.90 1wmj h LYS 111 CO 0.11 0.72 -2.41 0.72 -2.00 0.00 0.00 179.45 176.60 1wmj n HIS 112 N -3.25 0.00 -0.06 0.07 8.25 -0.45 -4.19 115.22 115.59 1wmj n HIS 112 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 1wmj n HIS 112 Cb 0.86 -0.91 -0.15 0.00 1.12 0.00 0.00 29.99 30.90 1wmj n HIS 112 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1wmj n VAL 113 N -3.90 1.51 0.94 1.59 0.31 0.32 -4.11 118.33 114.99 1wmj n VAL 113 Ca -0.48 -0.82 0.13 0.00 -0.01 0.00 0.00 64.34 63.16 1wmj n VAL 113 Cb 0.88 -0.79 0.58 0.00 -0.91 0.00 0.00 33.84 33.61 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 1.65 -1.46 4.26 2.92 0.00 0.11 -4.80 105.19 107.87 1wmj n GLY 114 Ca -0.25 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.51 -1.26 0.00 4.61 0.00 -0.35 -4.37 120.51 117.64 1wmj n ALA 115 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1wmj n ALA 115 Cb 0.33 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 -3.84 0.00 -1.00 0.00 -1.04 -1.07 -5.06 114.28 102.27 1wmj n THR 116 Ca 0.03 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.16 1wmj n THR 116 Cb 0.45 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.93 1wmj n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wmj n ALA 117 N -0.88 -3.13 0.02 2.41 0.00 -0.57 -4.92 120.51 113.44 1wmj n ALA 117 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1wmj n ALA 117 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.15 3.00 -2.83 0.00 0.00 -1.26 -4.93 120.51 112.33 1wmj n ALA 118 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 1wmj n ALA 118 Cb 0.61 0.23 -0.06 0.00 0.00 0.00 0.00 19.45 20.24 1wmj n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wmj s SER 119 N -5.08 -0.04 -0.27 0.00 0.15 -1.26 -5.18 113.70 102.02 1wmj s SER 119 Ca 0.00 -0.67 -0.25 0.00 0.70 0.00 0.00 55.95 55.73 1wmj s SER 119 Cb 0.00 0.45 0.07 0.00 -1.71 0.00 0.00 66.02 64.83 1wmj s SER 119 CO 0.00 -0.88 0.73 0.00 1.20 0.00 0.00 173.24 174.28 1wmj s ALA 120 N -3.90 -1.79 -0.40 5.45 0.00 -1.26 -5.00 121.76 114.86 1wmj s ALA 120 Ca 0.11 2.03 0.05 0.00 0.00 0.00 0.00 51.96 54.15 1wmj s ALA 120 Cb 0.03 -1.19 0.17 0.00 0.00 0.00 0.00 23.12 22.12 1wmj s ALA 120 CO -0.05 -0.34 0.47 -1.12 0.00 0.00 0.00 175.76 174.73 1wmj s SER 121 N 0.40 0.27 0.00 0.00 0.01 -1.26 -5.31 113.70 107.81 1wmj s SER 121 Ca -0.00 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 55.74 1wmj s SER 121 Cb -0.05 0.96 0.00 0.00 0.21 0.00 0.00 66.02 67.14 1wmj s SER 121 CO 0.00 -0.21 0.00 0.00 0.41 0.00 0.00 173.24 173.45