#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 2.20 -3.58 -5.12 0.00 -1.26 -5.00 120.51 107.75 1wmj n ALA 2 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 1wmj n ALA 2 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.62 -1.05 -2.67 0.00 0.00 -1.26 -2.54 120.51 111.37 1wmj n ALA 3 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 1wmj n ALA 3 Cb 0.12 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 1wmj n ALA 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wmj n GLU 4 N -3.02 -3.91 0.00 0.00 2.13 -1.26 -5.05 120.64 109.53 1wmj n GLU 4 Ca -0.00 3.05 0.00 0.00 0.66 0.00 0.00 57.16 60.86 1wmj n GLU 4 Cb 0.35 -5.30 0.00 0.00 0.27 0.00 0.00 31.44 26.76 1wmj n GLU 4 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1wmj n GLU 5 N 1.05 2.18 -0.14 5.31 -0.58 -1.05 -4.93 120.64 122.48 1wmj n GLU 5 Ca -0.15 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.57 1wmj n GLU 5 Cb 0.23 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.13 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 2.09 3.96 0.62 0.00 -1.26 -4.83 105.19 110.77 1wmj n GLY 6 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1wmj n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wmj s VAL 7 N -0.71 2.00 -0.79 1.61 -7.23 -1.26 -3.66 120.40 110.35 1wmj s VAL 7 Ca 0.07 -1.24 -0.26 0.00 -1.81 0.00 0.00 61.98 58.74 1wmj s VAL 7 Cb 0.06 -2.24 -0.17 0.00 0.56 0.00 0.00 36.38 34.59 1wmj s VAL 7 CO 0.02 0.00 2.50 1.33 -0.31 0.00 0.00 175.10 178.63 1wmj n VAL 8 N -1.97 -0.03 -0.75 1.32 0.24 -1.25 -4.86 118.33 111.03 1wmj n VAL 8 Ca 0.07 -0.42 -0.34 0.00 -2.04 0.00 0.00 64.34 61.61 1wmj n VAL 8 Cb 0.63 -1.46 0.14 0.00 -1.47 0.00 0.00 33.84 31.68 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 7.59 0.00 -3.43 1.34 2.08 -1.26 -4.54 119.36 121.14 1wmj n ILE 9 Ca 0.53 -0.24 -0.23 0.00 0.56 0.00 0.00 62.75 63.38 1wmj n ILE 9 Cb 0.28 -0.47 -0.10 0.00 -0.75 0.00 0.00 39.64 38.59 1wmj n ILE 9 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wmj s ALA 10 N -2.19 0.17 1.41 -1.39 0.00 -1.26 0.73 121.76 119.22 1wmj s ALA 10 Ca 0.52 -1.18 -0.23 0.00 0.00 0.00 0.00 51.96 51.07 1wmj s ALA 10 Cb -0.08 -1.76 0.35 0.00 0.00 0.00 0.00 23.12 21.63 1wmj s ALA 10 CO 0.67 -1.99 0.90 0.00 0.00 0.00 0.00 175.76 175.33 1wmj n HIS 12 N -5.51 0.00 0.00 0.00 -0.00 -1.26 -4.69 115.22 103.76 1wmj n HIS 12 Ca 0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.32 1wmj n HIS 12 Cb 0.58 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 1wmj n HIS 12 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 1wmj n ASN 13 N 0.00 0.00 0.00 0.26 6.94 -1.26 -4.95 115.26 116.24 1wmj n ASN 13 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1wmj n ASN 13 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 -0.27 -3.83 4.81 -1.26 -4.26 118.16 113.35 1wmj n LYS 14 Ca 0.00 0.00 0.23 0.00 -0.87 0.00 0.00 58.31 57.67 1wmj n LYS 14 Cb 0.00 0.00 0.39 0.00 0.02 0.00 0.00 35.03 35.44 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 0.91 0.13 0.05 3.14 2.03 -1.26 0.30 116.55 121.86 1wmj n ASP 15 Ca 0.00 0.84 -0.21 0.00 0.52 0.00 0.00 54.79 55.93 1wmj n ASP 15 Cb 0.00 -0.41 -0.15 0.00 -0.72 0.00 0.00 41.12 39.84 1wmj n ASP 15 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1wmj h GLU 16 N 0.00 0.33 -0.31 -0.67 5.08 -1.96 -3.25 114.58 113.79 1wmj h GLU 16 Ca 0.52 -0.56 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1wmj h GLU 16 Cb 1.64 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 31.04 1wmj h GLU 16 CO -0.30 1.27 -0.03 0.27 -1.00 0.00 0.00 179.01 179.22 1wmj h PHE 17 N -0.23 -0.08 -0.41 4.33 -0.00 0.43 -0.84 116.94 120.14 1wmj h PHE 17 Ca -0.23 0.03 0.03 0.00 -0.00 0.00 0.00 57.97 57.80 1wmj h PHE 17 Cb 1.80 0.08 -0.02 0.00 -0.00 0.00 0.00 35.95 37.81 1wmj h PHE 17 CO 0.16 -0.09 0.27 -0.44 -0.00 0.00 0.00 178.31 178.21 1wmj h ASP 18 N 0.05 0.37 0.00 -0.68 3.32 -1.28 -1.55 116.42 116.65 1wmj h ASP 18 Ca 0.15 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1wmj h ASP 18 Cb 0.22 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1wmj h ASP 18 CO -0.28 0.26 0.58 0.00 -1.72 0.00 0.00 179.24 178.07 1wmj h ALA 19 N 1.76 1.55 0.00 3.45 0.00 -1.17 -0.72 119.26 124.13 1wmj h ALA 19 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 1wmj h ALA 19 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1wmj h ALA 19 CO -0.04 -0.55 -1.45 1.04 0.00 0.00 0.00 179.25 178.25 1wmj n GLN 20 N -2.55 0.36 0.24 0.00 3.00 -0.60 -4.16 117.38 113.67 1wmj n GLN 20 Ca -0.01 0.15 0.13 0.00 -0.01 0.00 0.00 57.00 57.26 1wmj n GLN 20 Cb 0.61 -1.12 0.52 0.00 0.00 0.00 0.00 30.24 30.24 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 -0.64 0.00 0.01 -1.09 4.05 -1.22 1.04 114.93 117.08 1wmj h MET 21 Ca -0.27 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 58.86 1wmj h MET 21 Cb 1.09 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.85 1wmj h MET 21 CO -0.16 0.00 -1.61 1.15 0.23 0.00 0.00 176.91 176.51 1wmj h THR 22 N 0.00 0.97 -0.08 -0.77 2.02 -1.38 -3.33 112.91 110.34 1wmj h THR 22 Ca 0.08 -2.79 -0.02 0.00 0.77 0.00 0.00 66.41 64.45 1wmj h THR 22 Cb 1.37 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 70.26 1wmj h THR 22 CO -0.00 0.59 0.03 0.29 0.37 0.00 0.00 175.52 176.80 1wmj n LYS 23 N -3.13 1.26 0.00 6.66 4.01 0.36 -3.41 118.16 123.91 1wmj n LYS 23 Ca -0.15 -0.30 0.00 0.00 -0.51 0.00 0.00 58.31 57.35 1wmj n LYS 23 Cb 1.04 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 34.20 1wmj n LYS 23 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wmj n ALA 24 N 0.19 2.34 -0.05 7.82 0.00 -1.18 -4.16 120.51 125.47 1wmj n ALA 24 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 1wmj n ALA 24 Cb 0.47 0.43 -0.03 0.00 0.00 0.00 0.00 19.45 20.32 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 0.80 0.13 0.00 2.10 -1.70 -1.27 116.57 116.63 1wmj h LYS 25 Ca 0.00 -0.54 -0.36 0.00 -2.00 0.00 0.00 60.65 57.76 1wmj h LYS 25 Cb 0.86 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.25 1wmj h LYS 25 CO 0.00 1.16 -1.91 1.05 -2.00 0.00 0.00 179.45 177.75 1wmj h GLU 26 N 0.60 0.27 -0.01 0.07 4.11 -1.86 -3.35 114.58 114.40 1wmj h GLU 26 Ca -0.00 -0.46 -0.06 0.00 0.07 0.00 0.00 59.36 58.91 1wmj h GLU 26 Cb 1.20 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1wmj h GLU 26 CO 0.13 1.18 -0.29 0.00 0.07 0.00 0.00 179.01 180.10 1wmj h ALA 27 N 0.17 1.50 -0.51 1.06 0.00 -1.72 -3.47 119.26 116.29 1wmj h ALA 27 Ca -0.39 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1wmj h ALA 27 Cb 2.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1wmj h ALA 27 CO 0.11 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1wmj n GLY 28 N -0.69 0.97 3.14 0.00 0.00 -0.58 -4.99 105.19 103.04 1wmj n GLY 28 Ca -0.02 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.10 0.75 0.87 1.61 -2.85 -0.59 -5.02 119.74 111.41 1wmj s LYS 29 Ca 0.00 -1.09 -0.11 0.00 -1.00 0.00 0.00 55.97 53.77 1wmj s LYS 29 Cb 0.00 -0.36 0.12 0.00 -2.06 0.00 0.00 37.83 35.53 1wmj s LYS 29 CO 0.00 0.04 1.11 0.08 0.10 0.00 0.00 175.35 176.68 1wmj s VAL 30 N -2.48 2.64 -0.00 1.79 1.01 -0.79 -4.45 120.40 118.11 1wmj s VAL 30 Ca 0.03 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1wmj s VAL 30 Cb -0.03 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1wmj s VAL 30 CO -0.01 -0.27 -0.13 -0.69 0.00 0.00 0.00 175.10 174.00 1wmj s VAL 31 N -2.78 3.18 -0.31 2.92 1.01 -1.22 -2.29 120.40 120.91 1wmj s VAL 31 Ca 0.64 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1wmj s VAL 31 Cb -0.20 -2.32 0.12 0.00 0.00 0.00 0.00 36.38 33.98 1wmj s VAL 31 CO 0.58 0.45 0.18 -0.63 0.00 0.00 0.00 175.10 175.68 1wmj s ILE 32 N -0.88 -0.06 -0.21 2.22 1.09 -1.26 -2.35 121.20 119.75 1wmj s ILE 32 Ca 0.14 -1.00 -0.11 0.00 -1.10 0.00 0.00 60.65 58.58 1wmj s ILE 32 Cb -0.11 -1.00 -0.05 0.00 -1.06 0.00 0.00 42.46 40.24 1wmj s ILE 32 CO 0.04 -0.77 0.18 -0.63 -0.10 0.00 0.00 174.94 173.67 1wmj s ILE 33 N 1.82 5.36 -0.86 2.92 1.09 0.67 -1.30 121.20 130.91 1wmj s ILE 33 Ca 0.12 0.27 -0.12 0.00 -1.10 0.00 0.00 60.65 59.82 1wmj s ILE 33 Cb -0.18 -3.52 0.22 0.00 -1.06 0.00 0.00 42.46 37.92 1wmj s ILE 33 CO -0.25 0.38 0.79 -0.62 -0.10 0.00 0.00 174.94 175.15 1wmj s ASP 34 N 0.70 6.68 0.60 3.58 -1.08 0.20 -1.02 116.67 126.33 1wmj s ASP 34 Ca 0.10 -2.89 0.00 0.00 -0.52 0.00 0.00 52.55 49.24 1wmj s ASP 34 Cb -0.12 -2.17 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 1wmj s ASP 34 CO 0.02 -0.49 0.00 0.49 0.52 0.00 0.00 175.17 175.71 1wmj n PHE 35 N 3.66 -1.65 0.00 -5.34 3.72 -0.24 -0.85 117.46 116.77 1wmj n PHE 35 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 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 -2.13 0.00 -0.03 4.37 5.66 -0.25 -4.01 114.28 117.90 1wmj n THR 36 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 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 h ALA 37 N 0.00 0.00 0.00 1.79 0.00 -1.78 0.11 119.26 119.38 1wmj h ALA 37 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wmj h ALA 37 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wmj h ALA 37 CO 0.00 0.08 0.00 0.45 0.00 0.00 0.00 179.25 179.78 1wmj n SER 38 N -3.54 0.00 0.00 0.00 2.88 -1.26 -4.19 113.62 107.51 1wmj n SER 38 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1wmj n SER 38 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1wmj n SER 38 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1wmj n TRP 39 N -0.14 0.00 -1.48 0.66 2.14 -1.26 -5.06 117.44 112.30 1wmj n TRP 39 Ca 0.00 0.00 -0.58 0.00 2.07 0.00 0.00 57.50 58.99 1wmj n TRP 39 Cb 0.00 0.09 -0.08 0.00 -0.81 0.00 0.00 31.31 30.51 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 2.02 2.99 0.15 0.00 0.00 -1.26 -4.68 105.19 104.41 1wmj n GLY 41 Ca 0.22 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 0.44 -6.45 1.61 0.13 -1.84 -3.47 132.00 122.42 1wmj h PRO 42 Ca 0.00 -0.23 -0.50 0.00 -0.87 0.00 0.00 66.00 64.40 1wmj h PRO 42 Cb 0.00 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.06 1wmj h PRO 42 CO 0.00 0.80 -0.82 0.00 -0.23 0.00 0.00 178.00 177.75 1wmj n ARG 44 N -4.48 0.00 -0.02 0.00 1.74 -1.26 -4.79 116.66 107.85 1wmj n ARG 44 Ca -0.07 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.85 1wmj n ARG 44 Cb 0.57 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.90 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 0.38 -0.01 -1.55 3.57 -2.01 -3.29 116.94 114.04 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 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1wmj h PHE 45 CO 0.00 1.00 -0.31 1.51 -2.23 0.00 0.00 178.31 178.28 1wmj n ILE 46 N -4.41 0.00 -0.17 1.41 3.06 -1.26 -4.33 119.36 113.66 1wmj n ILE 46 Ca -0.10 -0.15 -0.04 0.00 -2.50 0.00 0.00 62.75 59.96 1wmj n ILE 46 Cb 0.56 0.58 0.02 0.00 0.54 0.00 0.00 39.64 41.34 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 3.71 0.13 0.00 1.51 0.00 -1.87 0.60 119.26 123.34 1wmj h ALA 47 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wmj h ALA 47 Cb 0.56 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1wmj h ALA 47 CO 0.00 -0.57 0.00 -0.35 0.00 0.00 0.00 179.25 178.33 1wmj n PRO 48 N -5.42 0.47 -0.10 0.00 -0.04 -1.26 -2.75 135.00 125.90 1wmj n PRO 48 Ca 0.04 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.31 1wmj n PRO 48 Cb 0.33 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.16 1wmj n PRO 48 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wmj n VAL 49 N -1.02 1.56 0.00 0.52 3.14 0.20 -3.95 118.33 118.79 1wmj n VAL 49 Ca 0.11 -0.54 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 1wmj n VAL 49 Cb 0.06 -1.57 0.00 0.00 -1.06 0.00 0.00 33.84 31.27 1wmj n VAL 49 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1wmj n PHE 50 N -3.48 0.00 -0.24 1.45 3.72 -0.71 -1.13 117.46 117.07 1wmj n PHE 50 Ca -0.44 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 56.95 1wmj n PHE 50 Cb 0.98 -0.31 0.05 0.00 -0.94 0.00 0.00 39.48 39.26 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 0.27 -0.97 4.37 0.00 -1.84 0.37 119.26 119.46 1wmj h ALA 51 Ca 0.00 0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.26 1wmj h ALA 51 Cb 0.00 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1wmj h ALA 51 CO 0.00 -0.52 0.62 1.05 0.00 0.00 0.00 179.25 180.39 1wmj h GLU 52 N -0.06 0.92 -0.07 0.00 4.11 -1.68 -2.17 114.58 115.63 1wmj h GLU 52 Ca 0.30 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.67 1wmj h GLU 52 Cb 0.54 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1wmj h GLU 52 CO -0.73 0.61 -0.00 1.88 0.07 0.00 0.00 179.01 180.84 1wmj h TYR 53 N 0.95 0.13 -0.99 2.06 0.05 0.12 -0.84 116.97 118.45 1wmj h TYR 53 Ca 0.47 -0.02 0.32 0.00 0.05 0.00 0.00 58.73 59.55 1wmj h TYR 53 Cb 0.48 -0.03 -0.18 0.00 1.01 0.00 0.00 36.73 38.01 1wmj h TYR 53 CO -0.00 0.39 0.22 0.00 -1.05 0.00 0.00 178.16 177.71 1wmj h ALA 54 N 0.72 1.53 0.12 3.88 0.00 -0.37 0.63 119.26 125.78 1wmj h ALA 54 Ca 0.02 0.31 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 1wmj h ALA 54 Cb 0.34 0.49 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1wmj h ALA 54 CO 0.00 -0.70 -0.93 0.87 0.00 0.00 0.00 179.25 178.49 1wmj h LYS 55 N 0.02 0.26 -0.43 0.00 1.57 -1.47 -3.30 116.57 113.21 1wmj h LYS 55 Ca 0.69 -0.44 0.12 0.00 -1.87 0.00 0.00 60.65 59.15 1wmj h LYS 55 Cb 1.59 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 34.05 1wmj h LYS 55 CO -0.86 1.21 0.33 0.87 -0.57 0.00 0.00 179.45 180.43 1wmj h LYS 56 N -0.41 0.00 -3.45 3.15 1.57 0.75 -3.23 116.57 114.94 1wmj h LYS 56 Ca -0.18 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.89 1wmj h LYS 56 Cb 1.63 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.59 1wmj h LYS 56 CO 0.11 0.00 -0.21 -0.06 -0.57 0.00 0.00 179.45 178.72 1wmj s PHE 57 N -4.95 3.65 -1.67 -1.35 0.08 0.19 -4.89 117.98 109.04 1wmj s PHE 57 Ca -0.05 -2.83 0.15 0.00 0.12 0.00 0.00 56.93 54.32 1wmj s PHE 57 Cb 0.19 -3.25 0.83 0.00 -0.57 0.00 0.00 43.02 40.22 1wmj s PHE 57 CO 0.69 -0.80 1.38 -0.35 -0.10 0.00 0.00 175.22 176.05 1wmj n PRO 58 N 2.94 0.33 -0.38 0.24 -0.04 -1.22 -2.62 135.00 134.24 1wmj n PRO 58 Ca 0.15 0.08 0.06 0.00 -0.04 0.00 0.00 63.50 63.75 1wmj n PRO 58 Cb 0.38 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.56 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 1.72 3.38 0.55 0.00 -1.26 -4.90 105.19 104.65 1wmj n GLY 59 Ca 0.09 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.73 0.39 -0.21 4.61 0.00 -1.08 -1.89 121.76 121.85 1wmj s ALA 60 Ca 0.31 -1.22 0.09 0.00 0.00 0.00 0.00 51.96 51.14 1wmj s ALA 60 Cb 0.20 1.14 -0.22 0.00 0.00 0.00 0.00 23.12 24.25 1wmj s ALA 60 CO 0.15 -0.70 0.01 1.33 0.00 0.00 0.00 175.76 176.55 1wmj n VAL 61 N -0.30 1.48 -1.33 0.00 0.24 -0.97 -4.93 118.33 112.53 1wmj n VAL 61 Ca -0.01 -0.72 0.13 0.00 -2.04 0.00 0.00 64.34 61.70 1wmj n VAL 61 Cb 0.64 -0.99 -0.07 0.00 -1.47 0.00 0.00 33.84 31.94 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 -3.03 -3.31 0.00 6.34 3.01 -1.26 -4.66 117.46 114.55 1wmj n PHE 62 Ca -0.37 1.83 0.00 0.00 1.01 0.00 0.00 57.45 59.92 1wmj n PHE 62 Cb 1.07 -2.99 0.00 0.00 -0.01 0.00 0.00 39.48 37.56 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 -4.01 0.00 -4.49 4.37 7.94 -0.42 -4.12 117.00 116.27 1wmj n LEU 63 Ca -0.07 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.49 1wmj n LEU 63 Cb 0.56 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.39 1wmj n LEU 63 CO 0.03 0.00 -0.42 -1.59 -1.11 0.00 0.00 177.39 174.30 1wmj s LYS 64 N -1.97 2.84 0.17 1.96 -2.85 0.22 0.62 119.74 120.74 1wmj s LYS 64 Ca 0.00 -0.63 0.11 0.00 -1.00 0.00 0.00 55.97 54.45 1wmj s LYS 64 Cb 0.00 -2.54 -0.04 0.00 -2.06 0.00 0.00 37.83 33.19 1wmj s LYS 64 CO 0.00 0.53 -0.25 0.08 0.10 0.00 0.00 175.35 175.81 1wmj s VAL 65 N -0.47 2.31 -0.30 1.79 1.01 -0.03 -0.89 120.40 123.81 1wmj s VAL 65 Ca 0.06 -1.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.06 1wmj s VAL 65 Cb -0.12 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.22 1wmj s VAL 65 CO 0.02 -0.05 0.05 -0.62 0.00 0.00 0.00 175.10 174.49 1wmj s ASP 66 N -2.46 5.00 0.00 3.32 2.15 -1.26 -2.97 116.67 120.44 1wmj s ASP 66 Ca 0.18 -1.01 0.00 0.00 0.43 0.00 0.00 52.55 52.15 1wmj s ASP 66 Cb -0.09 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.73 1wmj s ASP 66 CO 0.08 -0.24 1.20 1.33 -0.17 0.00 0.00 175.17 177.37 1wmj n VAL 67 N 4.76 1.20 0.00 1.11 0.24 0.38 -2.52 118.33 123.50 1wmj n VAL 67 Ca -0.14 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1wmj n VAL 67 Cb 0.46 -1.10 0.00 0.00 -1.47 0.00 0.00 33.84 31.73 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 0.70 0.95 0.00 -1.34 -0.08 -1.26 -4.38 116.55 111.15 1wmj n ASP 68 Ca 0.00 -0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.03 1wmj n ASP 68 Cb 0.50 0.70 0.00 0.00 2.34 0.00 0.00 41.12 44.66 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 -0.79 2.34 -0.64 -0.67 0.28 -1.14 -4.82 120.64 115.20 1wmj n GLU 69 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 1wmj n GLU 69 Cb 0.00 -0.84 0.08 0.00 1.43 0.00 0.00 31.44 32.10 1wmj n GLU 69 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1wmj n LEU 70 N -1.63 1.28 -0.30 -1.84 -0.00 -1.05 -4.87 117.00 108.60 1wmj n LEU 70 Ca 0.00 -2.25 0.25 0.00 -0.00 0.00 0.00 56.01 54.01 1wmj n LEU 70 Cb 0.34 -0.20 0.42 0.00 -0.00 0.00 0.00 43.42 43.99 1wmj n LEU 70 CO 0.00 0.62 0.76 2.29 -0.00 0.00 0.00 177.39 181.06 1wmj n LYS 71 N -0.44 -0.02 -0.52 1.47 2.85 -1.23 0.17 118.16 120.44 1wmj n LYS 71 Ca 0.09 0.77 0.39 0.00 -1.05 0.00 0.00 58.31 58.51 1wmj n LYS 71 Cb 0.79 -1.53 0.61 0.00 -0.65 0.00 0.00 35.03 34.25 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 -3.88 0.00 -0.02 -1.58 0.28 -1.26 0.23 120.64 114.42 1wmj n GLU 72 Ca 0.25 0.81 -0.16 0.00 -0.16 0.00 0.00 57.16 57.90 1wmj n GLU 72 Cb 0.98 -1.87 -0.13 0.00 1.43 0.00 0.00 31.44 31.86 1wmj n GLU 72 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1wmj h VAL 73 N 0.00 1.61 0.00 3.84 2.07 -0.67 -3.26 116.25 119.83 1wmj h VAL 73 Ca 0.69 -2.18 -0.04 0.00 0.82 0.00 0.00 66.70 65.99 1wmj h VAL 73 Cb 2.81 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 35.61 1wmj h VAL 73 CO -0.01 0.59 -0.19 0.00 0.02 0.00 0.00 177.57 177.98 1wmj h ALA 74 N 0.15 1.44 0.00 1.67 0.00 0.28 -2.03 119.26 120.77 1wmj h ALA 74 Ca -0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1wmj h ALA 74 Cb 1.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1wmj h ALA 74 CO 0.06 0.24 -0.24 0.93 0.00 0.00 0.00 179.25 180.24 1wmj h GLU 75 N 0.00 0.00 0.07 0.00 5.08 -1.06 0.89 114.58 119.56 1wmj h GLU 75 Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1wmj h GLU 75 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1wmj h GLU 75 CO 0.03 0.24 -1.09 1.57 -1.00 0.00 0.00 179.01 178.76 1wmj h LYS 76 N 0.00 0.20 0.00 2.33 2.10 -1.41 -3.28 116.57 116.51 1wmj h LYS 76 Ca -0.00 -0.31 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1wmj h LYS 76 Cb 0.55 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1wmj h LYS 76 CO 0.03 1.11 -1.23 0.66 -2.00 0.00 0.00 179.45 178.01 1wmj n TYR 77 N -3.53 0.47 -2.03 0.07 4.01 -1.02 -5.02 117.16 110.10 1wmj n TYR 77 Ca -0.05 0.14 -0.01 0.00 -0.16 0.00 0.00 57.90 57.82 1wmj n TYR 77 Cb 0.95 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 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 -2.30 -4.07 -0.05 7.72 4.05 0.30 -5.01 115.26 115.91 1wmj n ASN 78 Ca -0.00 0.03 -0.04 0.00 0.45 0.00 0.00 54.58 55.03 1wmj n ASN 78 Cb 0.51 -2.54 -0.10 0.00 1.23 0.00 0.00 39.78 38.88 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 -1.05 0.68 0.00 3.44 0.24 -0.82 -5.03 118.33 115.79 1wmj n VAL 79 Ca 0.01 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1wmj n VAL 79 Cb 0.41 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 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 -2.36 0.00 0.00 7.34 1.02 -1.26 -3.98 120.64 121.40 1wmj n GLU 80 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1wmj n GLU 80 Cb 0.79 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.21 1wmj n GLU 80 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wmj n ALA 81 N 0.00 0.00 -2.17 0.62 0.00 -1.26 -5.02 120.51 112.68 1wmj n ALA 81 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 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 0.87 0.00 0.00 -1.94 -1.26 -3.84 119.30 113.13 1wmj s MET 82 Ca 0.00 -1.37 0.00 0.00 -1.71 0.00 0.00 55.69 52.61 1wmj s MET 82 Cb 0.00 0.24 0.00 0.00 2.01 0.00 0.00 34.83 37.08 1wmj s MET 82 CO 0.00 -0.24 0.26 -0.35 -0.01 0.00 0.00 175.02 174.69 1wmj n PRO 83 N -0.06 0.49 -1.62 2.03 -0.04 -1.26 -1.09 135.00 133.46 1wmj n PRO 83 Ca -0.07 0.00 -0.58 0.00 -0.04 0.00 0.00 63.50 62.80 1wmj n PRO 83 Cb 0.63 -1.23 -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 0.20 0.06 -1.11 0.52 -1.04 -1.26 0.13 114.28 111.79 1wmj n THR 84 Ca 0.00 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 61.82 1wmj n THR 84 Cb 0.11 -0.59 -0.05 0.00 -1.82 0.00 0.00 70.33 67.98 1wmj n THR 84 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1wmj n PHE 85 N 3.05 1.02 -0.80 -1.42 3.72 -1.25 -1.07 117.46 120.71 1wmj n PHE 85 Ca 0.23 -1.73 -0.26 0.00 -0.05 0.00 0.00 57.45 55.63 1wmj n PHE 85 Cb 0.10 -1.22 -0.00 0.00 -0.94 0.00 0.00 39.48 37.41 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 1.20 -1.60 -4.21 4.37 -0.00 -0.19 -4.08 117.00 112.50 1wmj n LEU 86 Ca 0.37 0.52 -0.27 0.00 -0.00 0.00 0.00 56.01 56.63 1wmj n LEU 86 Cb 0.64 -0.54 -0.16 0.00 -0.00 0.00 0.00 43.42 43.36 1wmj n LEU 86 CO 0.25 -2.44 -0.52 -0.36 -0.00 0.00 0.00 177.39 174.32 1wmj s PHE 87 N -0.96 1.83 -0.57 1.96 0.40 0.70 -0.24 117.98 121.10 1wmj s PHE 87 Ca 0.36 -0.37 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 1wmj s PHE 87 Cb -0.41 -1.18 0.22 0.00 0.51 0.00 0.00 43.02 42.15 1wmj s PHE 87 CO 0.37 -0.05 0.58 -0.89 0.70 0.00 0.00 175.22 175.93 1wmj n ILE 88 N 2.64 1.02 -2.44 0.64 2.08 -0.99 -0.90 119.36 121.42 1wmj n ILE 88 Ca -0.15 -4.62 -0.42 0.00 0.56 0.00 0.00 62.75 58.11 1wmj n ILE 88 Cb 0.53 -2.03 -0.03 0.00 -0.75 0.00 0.00 39.64 37.36 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 -1.59 4.32 0.00 0.38 2.20 -1.26 -2.82 119.74 120.97 1wmj s LYS 89 Ca 0.34 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.63 1wmj s LYS 89 Cb 0.09 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1wmj s LYS 89 CO -0.10 -0.52 0.00 -3.47 -0.36 0.00 0.00 175.35 170.90 1wmj n ASP 90 N 5.59 0.00 0.00 1.43 -0.08 -1.26 -3.60 116.55 118.63 1wmj n ASP 90 Ca 0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1wmj n ASP 90 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 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 0.90 0.00 0.27 0.00 -1.13 -4.69 105.19 98.54 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 0.99 -3.15 4.61 0.00 -1.24 -5.11 120.51 116.62 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 -0.01 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 0.04 -0.02 0.00 2.12 -1.26 -4.73 118.70 114.86 1wmj s GLU 93 Ca 0.00 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.38 1wmj s GLU 93 Cb 0.00 0.02 -0.26 0.00 0.26 0.00 0.00 34.13 34.15 1wmj s GLU 93 CO 0.00 -0.06 0.77 0.00 -0.54 0.00 0.00 175.26 175.43 1wmj h ALA 94 N 7.40 0.41 0.00 6.30 0.00 -1.29 -3.46 119.26 128.62 1wmj h ALA 94 Ca -0.11 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.59 1wmj h ALA 94 Cb 1.17 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1wmj h ALA 94 CO -0.19 1.27 0.00 -0.25 0.00 0.00 0.00 179.25 180.09 1wmj n ASP 95 N -3.36 0.00 -4.23 0.00 8.00 -1.23 -4.99 116.55 110.75 1wmj n ASP 95 Ca -0.18 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.15 1wmj n ASP 95 Cb 1.04 0.00 -0.10 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 -1.97 1.50 0.00 -1.24 0.00 -1.26 0.25 119.74 117.02 1wmj s LYS 96 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 55.97 54.14 1wmj s LYS 96 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 37.83 37.56 1wmj s LYS 96 CO 0.00 -0.34 0.00 0.28 0.00 0.00 0.00 175.35 175.29 1wmj n VAL 97 N -0.53 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 -0.70 2.52 0.31 -1.26 -4.39 118.33 114.81 1wmj n VAL 98 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1wmj n VAL 98 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 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 2.54 0.34 2.92 0.00 0.35 -2.87 105.19 108.48 1wmj n GLY 99 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 2.17 1.69 -3.95 4.61 0.00 -1.26 -4.55 120.51 119.22 1wmj n ALA 100 Ca 0.23 -0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 1wmj n ALA 100 Cb 0.66 -0.04 -0.16 0.00 0.00 0.00 0.00 19.45 19.90 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 1.80 0.00 0.00 3.00 -1.14 -4.98 118.95 117.64 1wmj s ARG 101 Ca 0.00 -0.71 0.14 0.00 0.00 0.00 0.00 55.73 55.17 1wmj s ARG 101 Cb 0.00 -2.25 0.48 0.00 0.00 0.00 0.00 34.95 33.19 1wmj s ARG 101 CO 0.00 -0.42 1.37 1.17 0.00 0.00 0.00 175.30 177.41 1wmj n LYS 102 N 4.76 1.70 0.00 3.54 3.00 -1.26 -2.38 118.16 127.53 1wmj n LYS 102 Ca -0.14 -1.08 0.00 0.00 -0.00 0.00 0.00 58.31 57.09 1wmj n LYS 102 Cb 0.47 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.20 1wmj n LYS 102 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1wmj n ASP 103 N 0.34 0.19 -0.06 3.14 2.03 -1.26 -4.69 116.55 116.24 1wmj n ASP 103 Ca 0.13 -0.38 -0.08 0.00 0.52 0.00 0.00 54.79 54.98 1wmj n ASP 103 Cb 0.28 0.80 -0.07 0.00 -0.72 0.00 0.00 41.12 41.41 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 -0.81 2.74 0.00 1.67 -0.08 -1.23 -4.38 116.55 114.44 1wmj n ASP 104 Ca 0.00 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 1wmj n ASP 104 Cb 0.00 0.16 0.00 0.00 2.34 0.00 0.00 41.12 43.62 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 -2.70 0.67 0.28 -2.67 7.94 -1.00 -1.09 117.00 118.42 1wmj n LEU 105 Ca -0.21 0.48 0.08 0.00 -1.11 0.00 0.00 56.01 55.25 1wmj n LEU 105 Cb 0.79 -0.13 0.44 0.00 0.53 0.00 0.00 43.42 45.05 1wmj n LEU 105 CO 0.17 -0.13 0.99 0.06 -1.11 0.00 0.00 177.39 177.37 1wmj h GLN 106 N 0.00 0.00 0.05 1.96 -0.00 -1.84 1.11 115.11 116.40 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 -0.02 0.00 -0.00 0.00 0.00 27.48 27.46 1wmj h GLN 106 CO 0.00 0.00 -1.31 -0.91 -0.00 0.00 0.00 178.83 176.61 1wmj h ASN 107 N 0.00 0.17 0.22 0.06 2.35 -1.75 -3.27 115.58 113.37 1wmj h ASN 107 Ca 0.00 -0.22 -0.29 0.00 -0.55 0.00 0.00 56.30 55.24 1wmj h ASN 107 Cb 1.07 -0.06 0.03 0.00 0.05 0.00 0.00 38.32 39.42 1wmj h ASN 107 CO 0.00 1.18 -1.28 0.74 -1.65 0.00 0.00 177.43 176.42 1wmj h THR 108 N 0.03 1.35 -0.19 2.81 2.02 0.29 -3.24 112.91 115.97 1wmj h THR 108 Ca -0.14 -2.65 0.06 0.00 0.77 0.00 0.00 66.41 64.44 1wmj h THR 108 Cb 1.91 3.10 -0.01 0.00 -1.74 0.00 0.00 68.15 71.41 1wmj h THR 108 CO 0.14 0.78 0.16 0.40 0.37 0.00 0.00 175.52 177.37 1wmj h ILE 109 N -0.01 0.75 0.00 3.11 5.03 -1.41 0.80 117.51 125.77 1wmj h ILE 109 Ca -0.22 0.00 -0.12 0.00 -0.12 0.00 0.00 64.86 64.40 1wmj h ILE 109 Cb 2.01 0.89 -0.02 0.00 -3.03 0.00 0.00 36.82 36.67 1wmj h ILE 109 CO 0.24 0.00 -0.56 -0.37 -0.68 0.00 0.00 178.15 176.78 1wmj h VAL 110 N 0.00 1.05 0.00 1.67 -1.51 -1.61 1.14 116.25 116.98 1wmj h VAL 110 Ca 0.09 -2.25 -0.20 0.00 -1.23 0.00 0.00 66.70 63.12 1wmj h VAL 110 Cb 0.40 2.36 -0.03 0.00 -2.13 0.00 0.00 31.29 31.89 1wmj h VAL 110 CO -0.00 0.55 -1.13 0.07 -1.23 0.00 0.00 177.57 175.84 1wmj h LYS 111 N 0.00 0.00 0.00 5.19 2.10 -0.94 -0.37 116.57 122.55 1wmj h LYS 111 Ca -0.01 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 58.21 1wmj h LYS 111 Cb 1.31 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.57 1wmj h LYS 111 CO 0.07 0.65 -2.48 0.72 -2.00 0.00 0.00 179.45 176.41 1wmj n HIS 112 N -3.17 0.00 -0.05 0.07 8.25 -0.32 -4.17 115.22 115.82 1wmj n HIS 112 Ca -0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.31 1wmj n HIS 112 Cb 0.90 -0.96 -0.15 0.00 1.12 0.00 0.00 29.99 30.91 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 -3.98 1.53 0.84 1.59 0.31 0.35 -4.10 118.33 114.87 1wmj n VAL 113 Ca -0.51 -0.81 0.12 0.00 -0.01 0.00 0.00 64.34 63.14 1wmj n VAL 113 Cb 0.90 -0.85 0.53 0.00 -0.91 0.00 0.00 33.84 33.51 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 -1.42 4.28 2.92 0.00 0.11 -4.78 105.19 107.96 1wmj n GLY 114 Ca -0.24 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.54 -1.33 0.00 4.61 0.00 -0.65 -4.37 120.51 117.23 1wmj n ALA 115 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1wmj n ALA 115 Cb 0.31 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 -3.92 0.00 -1.23 0.00 -1.04 -1.08 -5.06 114.28 101.94 1wmj n THR 116 Ca 0.00 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.16 1wmj n THR 116 Cb 0.48 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.94 1wmj n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wmj n ALA 117 N -0.84 -3.45 0.00 2.41 0.00 -0.25 -4.92 120.51 113.46 1wmj n ALA 117 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1wmj n ALA 117 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.56 2.81 -3.23 0.00 0.00 -1.26 -4.93 120.51 111.34 1wmj n ALA 118 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 1wmj n ALA 118 Cb 0.64 0.13 -0.03 0.00 0.00 0.00 0.00 19.45 20.20 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 -4.68 -0.65 0.49 0.00 0.15 -1.26 -5.16 113.70 102.60 1wmj s SER 119 Ca 0.00 -0.12 -0.09 0.00 0.70 0.00 0.00 55.95 56.45 1wmj s SER 119 Cb 0.00 1.58 -0.05 0.00 -1.71 0.00 0.00 66.02 65.84 1wmj s SER 119 CO 0.00 -0.32 0.85 0.00 1.20 0.00 0.00 173.24 174.96 1wmj s ALA 120 N 2.67 3.30 0.00 5.45 0.00 -1.26 -4.98 121.76 126.94 1wmj s ALA 120 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1wmj s ALA 120 Cb -0.11 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1wmj s ALA 120 CO -0.28 -0.32 0.00 0.45 0.00 0.00 0.00 175.76 175.61 1wmj n SER 121 N -2.06 0.00 0.00 0.00 2.88 -1.26 -5.25 113.62 107.93 1wmj n SER 121 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1wmj n SER 121 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1wmj n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81