#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lwm n VAL 2 N 0.00 0.00 -2.91 2.03 0.24 -1.26 -4.91 118.33 111.52 1lwm n VAL 2 Ca 0.00 -0.56 -0.13 0.00 -2.04 0.00 0.00 64.34 61.61 1lwm n VAL 2 Cb 0.00 0.76 0.02 0.00 -1.47 0.00 0.00 33.84 33.15 1lwm n VAL 2 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1lwm n THR 3 N 0.28 0.21 -2.17 3.34 -1.04 -1.26 -5.11 114.28 108.53 1lwm n THR 3 Ca 0.01 -3.30 -0.42 0.00 -2.04 0.00 0.00 64.05 58.30 1lwm n THR 3 Cb 0.94 0.43 -0.03 0.00 -1.82 0.00 0.00 70.33 69.86 1lwm n THR 3 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1lwm s PRO 4 N -1.90 4.24 0.61 -2.82 0.04 -1.26 -4.97 135.00 128.94 1lwm s PRO 4 Ca 0.31 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 1lwm s PRO 4 Cb 0.38 -3.71 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 1lwm s PRO 4 CO -0.04 -0.68 0.87 2.89 0.04 0.00 0.00 177.00 180.08 1lwm n ARG 5 N 6.01 0.75 -2.94 4.56 -4.01 -1.26 -4.97 116.66 114.80 1lwm n ARG 5 Ca 0.15 0.30 -0.13 0.00 -1.04 0.00 0.00 57.85 57.12 1lwm n ARG 5 Cb 0.43 -2.08 0.02 0.00 -3.04 0.00 0.00 32.46 27.80 1lwm n ARG 5 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 1lwm n GLU 6 N -0.93 1.03 0.06 2.89 4.07 -1.26 -5.01 120.64 121.48 1lwm n GLU 6 Ca 0.13 -2.87 -0.05 0.00 -0.06 0.00 0.00 57.16 54.31 1lwm n GLU 6 Cb 0.48 -1.31 -0.03 0.00 -0.06 0.00 0.00 31.44 30.52 1lwm n GLU 6 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1lwm h PRO 7 N 2.91 -0.26 0.00 5.31 0.11 -2.05 -3.48 132.00 134.54 1lwm h PRO 7 Ca -0.02 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1lwm h PRO 7 Cb 1.07 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1lwm h PRO 7 CO 0.36 -0.17 0.00 1.17 -0.21 0.00 0.00 178.00 179.15 1lwm n LYS 8 N -3.35 0.00 -3.88 1.05 4.81 -1.26 -4.96 118.16 110.57 1lwm n LYS 8 Ca -0.03 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.10 1lwm n LYS 8 Cb 0.14 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.16 1lwm n LYS 8 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1lwm n LYS 9 N 0.00 -3.05 0.07 1.64 4.76 -1.26 -4.84 118.16 115.47 1lwm n LYS 9 Ca 0.00 0.37 -0.16 0.00 -2.87 0.00 0.00 58.31 55.65 1lwm n LYS 9 Cb 0.00 -5.07 -0.10 0.00 -1.84 0.00 0.00 35.03 28.02 1lwm n LYS 9 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1lwm h ARG 10 N -1.20 -0.65 -5.12 1.97 1.12 -1.94 -3.38 114.38 105.18 1lwm h ARG 10 Ca -0.51 0.04 -0.43 0.00 -1.11 0.00 0.00 59.98 57.98 1lwm h ARG 10 Cb 1.33 0.15 -0.08 0.00 -0.01 0.00 0.00 29.97 31.36 1lwm h ARG 10 CO 0.67 -0.44 1.69 -2.37 -3.11 0.00 0.00 179.97 176.42 1lwm n THR 11 N -5.37 -0.01 0.05 0.20 5.66 -1.26 -4.80 114.28 108.74 1lwm n THR 11 Ca -0.07 -0.27 -0.04 0.00 -3.05 0.00 0.00 64.05 60.62 1lwm n THR 11 Cb 0.39 -0.84 -0.02 0.00 -1.55 0.00 0.00 70.33 68.31 1lwm n THR 11 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1lwm h THR 12 N 7.71 0.00 -5.49 1.09 2.02 -2.00 -3.46 112.91 112.79 1lwm h THR 12 Ca -0.06 0.00 -0.61 0.00 0.77 0.00 0.00 66.41 66.51 1lwm h THR 12 Cb 1.24 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.57 1lwm h THR 12 CO 1.38 0.00 -0.36 0.54 0.37 0.00 0.00 175.52 177.45 1lwm n ARG 13 N -2.95 0.73 -1.69 6.66 1.74 -1.26 -5.05 116.66 114.84 1lwm n ARG 13 Ca -0.02 -3.53 0.00 0.00 -0.77 0.00 0.00 57.85 53.53 1lwm n ARG 13 Cb 0.09 0.64 0.00 0.00 -1.02 0.00 0.00 32.46 32.17 1lwm n ARG 13 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1lwm n LYS 14 N -1.55 -4.62 -3.65 5.56 4.81 -1.26 -4.97 118.16 112.48 1lwm n LYS 14 Ca -0.11 3.45 -0.28 0.00 -0.87 0.00 0.00 58.31 60.50 1lwm n LYS 14 Cb 0.63 -3.93 -0.16 0.00 0.02 0.00 0.00 35.03 31.59 1lwm n LYS 14 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1lwm s LYS 15 N -3.56 0.39 0.00 1.64 2.47 -1.26 -4.99 119.74 114.43 1lwm s LYS 15 Ca 0.00 -0.46 0.00 0.00 -1.56 0.00 0.00 55.97 53.95 1lwm s LYS 15 Cb 0.00 -1.77 0.00 0.00 -1.46 0.00 0.00 37.83 34.60 1lwm s LYS 15 CO 0.00 -0.80 0.22 1.63 0.16 0.00 0.00 175.35 176.56 1lwm n LYS 16 N 5.13 0.00 0.00 4.03 5.02 -1.26 -5.02 118.16 126.06 1lwm n LYS 16 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1lwm n LYS 16 Cb 0.45 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 1lwm n LYS 16 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1lwm n ASP 17 N -0.23 0.00 -3.41 4.39 2.03 -1.26 -5.17 116.55 112.90 1lwm n ASP 17 Ca 0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 1lwm n ASP 17 Cb 0.00 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.57 1lwm n ASP 17 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1lwm n PRO 18 N -0.04 -2.13 -3.32 -0.67 -0.02 -1.26 -4.44 135.00 123.12 1lwm n PRO 18 Ca 0.00 -0.85 -0.25 0.00 -2.02 0.00 0.00 63.50 60.38 1lwm n PRO 18 Cb 0.00 -1.48 0.03 0.00 -0.02 0.00 0.00 33.50 32.03 1lwm n PRO 18 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1lwm n ASN 19 N -2.36 -6.18 -3.75 2.55 3.02 -1.26 -5.01 115.26 102.27 1lwm n ASN 19 Ca 0.08 0.13 -0.12 0.00 -0.03 0.00 0.00 54.58 54.63 1lwm n ASN 19 Cb 0.35 -2.34 -0.12 0.00 -0.61 0.00 0.00 39.78 37.06 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lwm s ALA 20 N -1.54 -0.69 1.07 5.41 0.00 -1.26 -4.59 121.76 120.16 1lwm s ALA 20 Ca 0.27 0.95 -0.15 0.00 0.00 0.00 0.00 51.96 53.04 1lwm s ALA 20 Cb -0.03 -0.58 0.23 0.00 0.00 0.00 0.00 23.12 22.73 1lwm s ALA 20 CO 0.68 -0.17 1.10 -1.25 0.00 0.00 0.00 175.76 176.12 1lwm s PRO 21 N 0.70 -0.19 -0.32 0.00 0.04 -1.26 -4.96 135.00 129.01 1lwm s PRO 21 Ca -0.05 0.29 0.08 0.00 0.04 0.00 0.00 61.00 61.36 1lwm s PRO 21 Cb -0.06 -1.69 0.54 0.00 0.04 0.00 0.00 34.50 33.34 1lwm s PRO 21 CO -0.04 -3.10 1.55 1.17 0.04 0.00 0.00 177.00 176.62 1lwm n LYS 22 N -4.39 1.91 -2.17 4.56 4.81 -1.26 -5.03 118.16 116.59 1lwm n LYS 22 Ca 0.08 -3.16 0.00 0.00 -0.87 0.00 0.00 58.31 54.35 1lwm n LYS 22 Cb 0.58 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.74 1lwm n LYS 22 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1lwm n ARG 23 N -1.13 -5.04 -1.10 1.64 1.74 -1.26 -4.97 116.66 106.55 1lwm n ARG 23 Ca 0.39 3.65 -0.29 0.00 -0.77 0.00 0.00 57.85 60.82 1lwm n ARG 23 Cb 1.16 -4.32 0.17 0.00 -1.02 0.00 0.00 32.46 28.45 1lwm n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lwm s ALA 24 N -0.54 1.10 0.06 7.54 0.00 -1.26 -4.96 121.76 123.70 1lwm s ALA 24 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 1lwm s ALA 24 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1lwm s ALA 24 CO 0.00 -2.71 0.13 -0.51 0.00 0.00 0.00 175.76 172.67 1lwm s LEU 25 N -6.43 1.69 0.26 0.00 1.02 -1.26 -5.03 118.68 108.93 1lwm s LEU 25 Ca 0.65 -0.62 0.06 0.00 0.02 0.00 0.00 54.13 54.24 1lwm s LEU 25 Cb -0.19 0.76 -0.03 0.00 0.02 0.00 0.00 46.19 46.75 1lwm s LEU 25 CO 0.58 -0.61 0.33 -0.44 0.02 0.00 0.00 176.35 176.23 1lwm s SER 26 N -2.51 6.04 0.56 2.29 0.01 -1.26 -4.50 113.70 114.33 1lwm s SER 26 Ca 0.00 -0.06 0.33 0.00 1.31 0.00 0.00 55.95 57.53 1lwm s SER 26 Cb 0.02 -1.64 1.47 0.00 0.21 0.00 0.00 66.02 66.09 1lwm s SER 26 CO -0.08 -0.12 1.82 0.00 0.41 0.00 0.00 173.24 175.28 1lwm h ALA 27 N 1.22 2.79 -0.09 1.44 0.00 -1.85 0.38 119.26 123.15 1lwm h ALA 27 Ca -0.50 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.14 1lwm h ALA 27 Cb 1.24 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1lwm h ALA 27 CO 0.60 -1.19 -0.87 -0.92 0.00 0.00 0.00 179.25 176.88 1lwm h TYR 28 N 0.00 0.98 -0.29 0.00 3.20 -1.93 -2.64 116.97 116.29 1lwm h TYR 28 Ca 0.43 -0.47 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 1lwm h TYR 28 Cb 1.87 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.98 1lwm h TYR 28 CO 0.00 1.30 -0.04 1.98 -1.64 0.00 0.00 178.16 179.75 1lwm h MET 29 N 0.45 0.45 0.42 1.82 4.05 -0.63 0.45 114.93 121.94 1lwm h MET 29 Ca -0.08 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.22 1lwm h MET 29 Cb 1.50 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.24 1lwm h MET 29 CO 0.17 0.51 -0.20 0.74 0.23 0.00 0.00 176.91 178.36 1lwm h PHE 30 N 0.43 -0.52 0.00 1.39 0.04 -1.40 0.22 116.94 117.10 1lwm h PHE 30 Ca 0.09 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1lwm h PHE 30 Cb 0.35 0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1lwm h PHE 30 CO 0.01 -0.26 0.00 0.34 -0.60 0.00 0.00 178.31 177.81 1lwm n PHE 31 N -5.16 0.73 0.00 -0.55 -0.00 -1.00 -2.11 117.46 109.37 1lwm n PHE 31 Ca -0.08 0.31 -0.13 0.00 -0.00 0.00 0.00 57.45 57.55 1lwm n PHE 31 Cb 0.26 -1.00 -0.14 0.00 -0.00 0.00 0.00 39.48 38.60 1lwm n PHE 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1lwm h ALA 32 N 2.21 0.60 0.00 3.13 0.00 -0.05 -2.01 119.26 123.13 1lwm h ALA 32 Ca 0.00 -1.36 -0.12 0.00 0.00 0.00 0.00 54.91 53.43 1lwm h ALA 32 Cb 0.26 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1lwm h ALA 32 CO 0.00 1.44 -0.56 -0.91 0.00 0.00 0.00 179.25 179.22 1lwm h ASN 33 N 0.03 0.00 0.08 0.00 -0.26 -0.39 -0.13 115.58 114.91 1lwm h ASN 33 Ca -0.29 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.14 1lwm h ASN 33 Cb 2.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 39.24 1lwm h ASN 33 CO 0.10 0.56 -1.68 -0.33 -1.06 0.00 0.00 177.43 175.02 1lwm h GLU 34 N 0.00 0.17 -0.01 0.81 4.39 -1.58 -3.34 114.58 115.03 1lwm h GLU 34 Ca -0.01 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.31 1lwm h GLU 34 Cb 1.11 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1lwm h GLU 34 CO 0.07 1.14 -0.47 -0.91 -1.16 0.00 0.00 179.01 177.68 1lwm h ASN 35 N -0.36 0.02 0.34 1.42 -0.26 -1.43 -2.36 115.58 112.94 1lwm h ASN 35 Ca -0.39 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.31 1lwm h ASN 35 Cb 1.74 -0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.99 1lwm h ASN 35 CO -0.03 0.49 -0.14 -0.09 -1.06 0.00 0.00 177.43 176.60 1lwm h ARG 36 N 0.01 0.00 0.06 0.81 2.43 -1.17 -1.61 114.38 114.91 1lwm h ARG 36 Ca -0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 1lwm h ARG 36 Cb 0.84 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 1lwm h ARG 36 CO 0.06 0.14 -1.55 -0.44 -1.51 0.00 0.00 179.97 176.67 1lwm h ASP 37 N 0.00 0.20 -0.73 -3.80 5.19 -1.56 -2.31 116.42 113.41 1lwm h ASP 37 Ca -0.00 -0.31 -0.07 0.00 -0.62 0.00 0.00 57.03 56.03 1lwm h ASP 37 Cb 0.35 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 1lwm h ASP 37 CO 0.02 1.27 0.19 0.40 -3.12 0.00 0.00 179.24 178.00 1lwm h ILE 38 N 0.03 1.26 0.07 0.35 2.04 -0.93 0.13 117.51 120.46 1lwm h ILE 38 Ca -0.24 -0.96 -0.24 0.00 1.00 0.00 0.00 64.86 64.42 1lwm h ILE 38 Cb 1.98 0.50 0.02 0.00 -0.74 0.00 0.00 36.82 38.58 1lwm h ILE 38 CO 0.12 0.37 -0.98 0.58 0.00 0.00 0.00 178.15 178.25 1lwm h VAL 39 N 1.10 1.35 0.00 1.67 2.07 -1.43 -2.59 116.25 118.42 1lwm h VAL 39 Ca 0.23 -2.32 -0.02 0.00 0.82 0.00 0.00 66.70 65.40 1lwm h VAL 39 Cb 0.36 2.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1lwm h VAL 39 CO -0.00 0.69 -0.12 0.03 0.02 0.00 0.00 177.57 178.20 1lwm h ARG 40 N 0.11 0.00 0.17 1.57 3.08 -1.30 0.19 114.38 118.21 1lwm h ARG 40 Ca -0.14 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.59 1lwm h ARG 40 Cb 1.68 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.76 1lwm h ARG 40 CO 0.19 0.12 -1.34 1.03 -1.07 0.00 0.00 179.97 178.90 1lwm h SER 41 N 0.00 0.86 1.41 7.04 0.87 -0.72 -1.75 113.55 121.26 1lwm h SER 41 Ca -0.00 -0.84 0.00 0.00 -1.23 0.00 0.00 61.79 59.71 1lwm h SER 41 Cb 0.32 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1lwm h SER 41 CO 0.02 1.65 0.00 -0.33 -0.53 0.00 0.00 176.83 177.63 1lwm h GLU 42 N 0.22 0.00 -1.41 2.24 5.08 -1.00 -3.37 114.58 116.34 1lwm h GLU 42 Ca -0.21 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.73 1lwm h GLU 42 Cb 2.02 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.98 1lwm h GLU 42 CO 0.25 0.00 -0.83 0.09 -1.00 0.00 0.00 179.01 177.53 1lwm n ASN 43 N -2.34 -1.34 0.00 1.42 3.02 0.62 -4.96 115.26 111.68 1lwm n ASN 43 Ca 0.05 -2.81 0.06 0.00 -0.03 0.00 0.00 54.58 51.85 1lwm n ASN 43 Cb 0.41 0.39 0.33 0.00 -0.61 0.00 0.00 39.78 40.30 1lwm n ASN 43 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1lwm n PRO 44 N 2.03 0.23 0.19 3.52 -0.04 -0.66 -2.11 135.00 138.15 1lwm n PRO 44 Ca 0.19 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 1lwm n PRO 44 Cb 0.55 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.68 1lwm n PRO 44 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1lwm h ASP 45 N 0.00 0.00 -4.42 3.54 5.19 -1.93 -3.46 116.42 115.33 1lwm h ASP 45 Ca 0.00 -0.01 -0.22 0.00 -0.62 0.00 0.00 57.03 56.18 1lwm h ASP 45 Cb 0.09 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 1lwm h ASP 45 CO 0.00 0.00 -0.10 2.30 -3.12 0.00 0.00 179.24 178.32 1lwm n ILE 46 N -2.93 0.00 -3.26 0.35 -5.35 -0.90 -5.16 119.36 102.12 1lwm n ILE 46 Ca 0.04 -0.84 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 1lwm n ILE 46 Cb 0.52 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 1lwm n ILE 46 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1lwm n THR 47 N -1.01 0.00 -0.34 7.28 -2.24 -1.26 -4.98 114.28 111.73 1lwm n THR 47 Ca -0.01 0.00 0.36 0.00 -2.27 0.00 0.00 64.05 62.14 1lwm n THR 47 Cb 0.24 0.00 0.73 0.00 -2.10 0.00 0.00 70.33 69.20 1lwm n THR 47 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1lwm h PHE 48 N 0.74 0.00 -0.83 4.78 3.04 -1.95 -1.09 116.94 121.64 1lwm h PHE 48 Ca 0.00 0.00 0.30 0.00 3.98 0.00 0.00 57.97 62.25 1lwm h PHE 48 Cb 0.00 0.00 -0.15 0.00 2.56 0.00 0.00 35.95 38.36 1lwm h PHE 48 CO 0.00 0.00 0.29 0.41 -2.02 0.00 0.00 178.31 176.99 1lwm n GLY 49 N -1.76 -0.81 0.00 2.40 0.00 -1.26 -1.69 105.19 102.07 1lwm n GLY 49 Ca 0.27 0.72 0.00 0.00 0.00 0.00 0.00 46.02 47.01 1lwm n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lwm n GLN 50 N -4.99 3.92 -0.01 1.61 0.00 -0.63 -4.63 117.38 112.65 1lwm n GLN 50 Ca 0.27 -0.01 -0.16 0.00 0.00 0.00 0.00 57.00 57.10 1lwm n GLN 50 Cb 0.91 -0.31 -0.10 0.00 0.00 0.00 0.00 30.24 30.74 1lwm n GLN 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1lwm h VAL 51 N 0.01 1.44 -0.03 -0.39 2.07 -0.46 -0.62 116.25 118.28 1lwm h VAL 51 Ca 0.00 -1.95 -0.14 0.00 0.82 0.00 0.00 66.70 65.44 1lwm h VAL 51 Cb 0.01 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1lwm h VAL 51 CO 0.00 0.56 -0.61 1.23 0.02 0.00 0.00 177.57 178.77 1lwm h GLY 52 N -0.17 0.13 1.84 2.17 0.00 -1.56 -1.85 103.07 103.63 1lwm h GLY 52 Ca -0.05 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 1lwm h GLY 52 CO 0.09 0.15 -0.56 0.50 0.00 0.00 0.00 176.54 176.72 1lwm h LYS 53 N 0.09 0.00 0.04 4.80 1.57 -1.69 -1.56 116.57 119.81 1lwm h LYS 53 Ca -0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1lwm h LYS 53 Cb 1.09 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.42 1lwm h LYS 53 CO 0.09 0.38 -0.56 0.87 -0.57 0.00 0.00 179.45 179.66 1lwm h LYS 54 N 0.00 0.31 -0.02 3.15 1.57 -0.98 -1.71 116.57 118.90 1lwm h LYS 54 Ca -0.02 -0.39 -0.14 0.00 -1.87 0.00 0.00 60.65 58.23 1lwm h LYS 54 Cb 1.34 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.75 1lwm h LYS 54 CO 0.05 1.10 -0.65 1.37 -0.57 0.00 0.00 179.45 180.75 1lwm h LEU 55 N -0.30 0.11 -0.61 2.94 8.10 -1.43 -2.54 115.31 121.58 1lwm h LEU 55 Ca -0.08 -0.07 -0.14 0.00 0.11 0.00 0.00 57.88 57.70 1lwm h LEU 55 Cb 1.33 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 41.50 1lwm h LEU 55 CO 0.11 0.73 -0.69 1.23 -4.11 0.00 0.00 178.44 175.71 1lwm h GLY 56 N 1.78 0.00 0.93 0.17 0.00 -1.33 -1.97 103.07 102.64 1lwm h GLY 56 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1lwm h GLY 56 CO 0.09 0.00 -0.59 1.05 0.00 0.00 0.00 176.54 177.10 1lwm h GLU 57 N 0.00 0.56 -0.63 4.80 4.11 -1.19 -0.04 114.58 122.19 1lwm h GLU 57 Ca -0.01 -0.48 -0.06 0.00 0.07 0.00 0.00 59.36 58.88 1lwm h GLU 57 Cb 1.23 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 1lwm h GLU 57 CO 0.09 1.11 0.14 0.87 0.07 0.00 0.00 179.01 181.29 1lwm h LYS 58 N 0.17 0.99 -0.18 1.06 1.57 -1.46 -2.29 116.57 116.43 1lwm h LYS 58 Ca -0.05 -0.22 -0.15 0.00 -1.87 0.00 0.00 60.65 58.36 1lwm h LYS 58 Cb 1.24 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1lwm h LYS 58 CO 0.12 0.88 -0.51 2.35 -0.57 0.00 0.00 179.45 181.73 1lwm h TRP 59 N 0.94 0.62 0.00 -1.35 2.91 -1.34 0.67 115.95 118.40 1lwm h TRP 59 Ca 0.20 -0.21 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 1lwm h TRP 59 Cb 0.35 -0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 28.87 1lwm h TRP 59 CO 0.02 0.90 -0.06 1.57 -1.03 0.00 0.00 178.44 179.85 1lwm h LYS 60 N 0.39 0.00 -0.03 2.65 5.09 -0.45 -2.32 116.57 121.90 1lwm h LYS 60 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.76 1lwm h LYS 60 Cb 1.02 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.35 1lwm h LYS 60 CO 0.09 0.06 0.00 0.00 -2.09 0.00 0.00 179.45 177.51 1lwm n ALA 61 N -2.45 2.03 -1.37 0.07 0.00 -0.97 -5.05 120.51 112.76 1lwm n ALA 61 Ca -0.03 -1.10 -0.31 0.00 0.00 0.00 0.00 53.44 52.01 1lwm n ALA 61 Cb 0.14 -0.06 0.08 0.00 0.00 0.00 0.00 19.45 19.61 1lwm n ALA 61 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1lwm s LEU 62 N -1.10 3.01 -0.29 0.00 -0.00 0.23 -4.92 118.68 115.61 1lwm s LEU 62 Ca 0.04 1.71 -0.28 0.00 -0.00 0.00 0.00 54.13 55.60 1lwm s LEU 62 Cb 0.03 -4.46 -0.03 0.00 -0.00 0.00 0.00 46.19 41.73 1lwm s LEU 62 CO 0.02 -1.86 1.96 -0.89 -0.00 0.00 0.00 176.35 175.58 1lwm s THR 63 N -2.96 3.29 0.53 5.48 2.01 -1.26 -4.82 115.64 117.90 1lwm s THR 63 Ca 0.60 0.30 0.21 0.00 0.31 0.00 0.00 61.69 63.11 1lwm s THR 63 Cb -0.16 -3.40 0.21 0.00 0.01 0.00 0.00 72.50 69.16 1lwm s THR 63 CO 0.56 -0.26 1.62 -0.65 -0.69 0.00 0.00 174.62 175.20 1lwm h PRO 64 N 13.79 0.00 0.03 4.92 0.11 -1.94 0.15 132.00 149.06 1lwm h PRO 64 Ca -0.36 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.54 1lwm h PRO 64 Cb 1.20 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.32 1lwm h PRO 64 CO 1.01 0.00 -0.81 0.93 -0.21 0.00 0.00 178.00 178.92 1lwm h GLU 65 N 0.00 0.50 -0.02 1.05 5.08 -1.99 0.40 114.58 119.60 1lwm h GLU 65 Ca 0.00 -0.57 -0.13 0.00 -1.00 0.00 0.00 59.36 57.65 1lwm h GLU 65 Cb 0.89 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1lwm h GLU 65 CO 0.00 1.21 -0.62 1.05 -1.00 0.00 0.00 179.01 179.65 1lwm h GLU 66 N 0.04 0.07 0.00 2.33 -0.00 -1.11 -2.97 114.58 112.94 1lwm h GLU 66 Ca -0.11 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.20 1lwm h GLU 66 Cb 1.51 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 30.27 1lwm h GLU 66 CO 0.16 0.66 -0.66 1.57 -0.00 0.00 0.00 179.01 180.74 1lwm h LYS 67 N 0.05 0.00 -0.92 1.06 5.09 -1.47 -3.38 116.57 116.99 1lwm h LYS 67 Ca -0.01 0.00 0.12 0.00 0.09 0.00 0.00 60.65 60.85 1lwm h LYS 67 Cb 1.10 0.00 -0.13 0.00 0.10 0.00 0.00 32.23 33.30 1lwm h LYS 67 CO 0.08 0.00 -0.44 0.94 -2.09 0.00 0.00 179.45 177.94 1lwm n GLN 68 N -2.41 -0.30 -0.32 0.07 7.27 0.13 0.58 117.38 122.40 1lwm n GLN 68 Ca 0.02 1.41 0.05 0.00 0.07 0.00 0.00 57.00 58.55 1lwm n GLN 68 Cb 0.49 -2.08 0.20 0.00 2.41 0.00 0.00 30.24 31.26 1lwm n GLN 68 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1lwm h PRO 69 N 0.00 0.80 0.23 3.69 0.11 -1.77 -2.26 132.00 132.79 1lwm h PRO 69 Ca 0.24 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.31 1lwm h PRO 69 Cb 0.47 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 1lwm h PRO 69 CO -0.89 0.53 -0.28 1.88 -0.21 0.00 0.00 178.00 179.02 1lwm h TYR 70 N 0.82 -0.76 -0.99 0.65 -1.99 -0.11 -0.78 116.97 113.81 1lwm h TYR 70 Ca 0.45 0.01 0.16 0.00 2.00 0.00 0.00 58.73 61.34 1lwm h TYR 70 Cb 0.47 0.30 -0.09 0.00 2.00 0.00 0.00 36.73 39.42 1lwm h TYR 70 CO -0.05 -0.40 0.62 1.49 -0.00 0.00 0.00 178.16 179.82 1lwm h GLU 71 N -0.56 0.80 -0.21 4.88 4.57 -0.86 0.23 114.58 123.43 1lwm h GLU 71 Ca 0.00 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1lwm h GLU 71 Cb 0.54 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1lwm h GLU 71 CO -0.10 0.53 -0.12 0.00 -1.18 0.00 0.00 179.01 178.15 1lwm h ALA 72 N 1.60 1.40 -0.09 2.92 0.00 -0.80 -1.65 119.26 122.64 1lwm h ALA 72 Ca 0.53 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 1lwm h ALA 72 Cb 0.74 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1lwm h ALA 72 CO -0.31 0.41 -0.62 -0.22 0.00 0.00 0.00 179.25 178.52 1lwm h LYS 73 N 0.33 0.33 -0.01 0.00 3.64 0.83 -2.28 116.57 119.40 1lwm h LYS 73 Ca 0.07 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 1lwm h LYS 73 Cb 0.41 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1lwm h LYS 73 CO 0.02 0.84 -0.52 0.00 -2.27 0.00 0.00 179.45 177.53 1lwm h ALA 74 N 1.10 1.11 -0.13 5.00 0.00 -0.62 -1.20 119.26 124.52 1lwm h ALA 74 Ca -0.01 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 1lwm h ALA 74 Cb 1.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1lwm h ALA 74 CO 0.10 0.66 -0.70 1.96 0.00 0.00 0.00 179.25 181.26 1lwm h GLN 75 N 0.03 0.57 -0.21 0.00 1.08 -1.13 0.20 115.11 115.65 1lwm h GLN 75 Ca -0.00 -0.44 -0.14 0.00 -1.45 0.00 0.00 58.65 56.61 1lwm h GLN 75 Cb 0.93 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1lwm h GLN 75 CO 0.07 1.07 -0.46 0.00 -0.95 0.00 0.00 178.83 178.55 1lwm h ALA 76 N 0.81 0.80 0.00 3.87 0.00 -1.21 -2.11 119.26 121.42 1lwm h ALA 76 Ca -0.03 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1lwm h ALA 76 Cb 1.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1lwm h ALA 76 CO 0.13 0.66 -0.30 0.22 0.00 0.00 0.00 179.25 179.96 1lwm h ASP 77 N 0.44 0.00 0.63 0.00 3.58 -1.15 -2.70 116.42 117.23 1lwm h ASP 77 Ca 0.03 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.34 1lwm h ASP 77 Cb 0.98 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 1lwm h ASP 77 CO 0.09 0.30 -0.64 0.50 -2.88 0.00 0.00 179.24 176.61 1lwm h LYS 78 N 0.00 0.01 0.00 0.28 3.64 -0.29 -1.96 116.57 118.25 1lwm h LYS 78 Ca -0.00 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 1lwm h LYS 78 Cb 1.21 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 1lwm h LYS 78 CO 0.04 0.65 -1.02 -0.22 -2.27 0.00 0.00 179.45 176.62 1lwm h LYS 79 N 0.00 0.00 -0.17 1.90 3.64 -1.33 -2.13 116.57 118.49 1lwm h LYS 79 Ca -0.01 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1lwm h LYS 79 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1lwm h LYS 79 CO 0.08 0.81 -0.67 0.00 -2.27 0.00 0.00 179.45 177.40 1lwm h ARG 80 N 0.00 0.68 0.08 1.90 2.47 -1.34 0.13 114.38 118.29 1lwm h ARG 80 Ca -0.05 -0.50 -0.25 0.00 -1.26 0.00 0.00 59.98 57.91 1lwm h ARG 80 Cb 1.72 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 30.13 1lwm h ARG 80 CO 0.11 1.12 -1.12 -0.92 0.56 0.00 0.00 179.97 179.71 1lwm h TYR 81 N 0.49 0.51 0.00 3.04 3.20 -1.43 -2.70 116.97 120.07 1lwm h TYR 81 Ca -0.02 -0.34 -0.07 0.00 3.14 0.00 0.00 58.73 61.44 1lwm h TYR 81 Cb 1.27 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1lwm h TYR 81 CO 0.07 1.22 -0.34 0.93 -1.64 0.00 0.00 178.16 178.39 1lwm h GLU 82 N 0.12 0.00 0.01 1.82 4.39 -1.40 -2.40 114.58 117.12 1lwm h GLU 82 Ca -0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1lwm h GLU 82 Cb 1.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 1lwm h GLU 82 CO 0.19 0.34 -0.00 0.66 -1.16 0.00 0.00 179.01 179.04 1lwm h SER 83 N 0.00 -0.01 -0.64 1.42 4.64 -0.76 -1.80 113.55 116.40 1lwm h SER 83 Ca -0.00 -0.75 -0.06 0.00 -0.47 0.00 0.00 61.79 60.51 1lwm h SER 83 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1lwm h SER 83 CO 0.04 0.76 0.16 -0.33 -0.87 0.00 0.00 176.83 176.59 1lwm h GLU 84 N -0.79 1.02 -0.60 4.77 4.39 -1.56 -2.42 114.58 119.38 1lwm h GLU 84 Ca -0.00 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.38 1lwm h GLU 84 Cb 0.76 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 1lwm h GLU 84 CO 0.00 0.92 0.08 -0.22 -1.16 0.00 0.00 179.01 178.63 1lwm h LYS 85 N 0.94 0.99 -0.22 2.33 3.64 -1.53 -2.19 116.57 120.53 1lwm h LYS 85 Ca 0.20 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1lwm h LYS 85 Cb 0.35 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1lwm h LYS 85 CO 0.00 0.93 0.15 1.49 -2.27 0.00 0.00 179.45 179.74 1lwm h GLU 86 N 0.93 0.29 -0.93 1.90 4.81 -1.04 -2.31 114.58 118.23 1lwm h GLU 86 Ca 0.18 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1lwm h GLU 86 Cb 0.43 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1lwm h GLU 86 CO 0.01 0.20 0.54 -0.07 -0.73 0.00 0.00 179.01 178.96 1lwm h LEU 87 N 0.30 1.14 -0.10 1.64 3.38 -1.29 -2.02 115.31 118.36 1lwm h LEU 87 Ca 0.08 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1lwm h LEU 87 Cb -0.03 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 1lwm h LEU 87 CO -0.02 0.89 -0.11 0.22 0.09 0.00 0.00 178.44 179.51 1lwm h TYR 88 N 1.29 -0.26 -0.44 1.13 5.03 -0.98 0.50 116.97 123.23 1lwm h TYR 88 Ca 0.33 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.63 1lwm h TYR 88 Cb -0.02 0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 1lwm h TYR 88 CO 0.01 -0.16 0.17 -0.91 -1.32 0.00 0.00 178.16 175.95 1lwm h ASN 89 N -0.13 0.57 1.28 -2.11 -0.26 -1.18 0.12 115.58 113.87 1lwm h ASN 89 Ca 0.08 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1lwm h ASN 89 Cb 0.24 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 1lwm h ASN 89 CO -0.18 0.53 0.00 0.00 -1.06 0.00 0.00 177.43 176.71 1lwm h ALA 90 N 1.56 1.00 0.00 -0.83 0.00 -0.59 -2.28 119.26 118.12 1lwm h ALA 90 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1lwm h ALA 90 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1lwm h ALA 90 CO -0.01 0.00 -1.58 2.41 0.00 0.00 0.00 179.25 180.06 1lwm n THR 91 N -3.08 0.88 -0.04 0.00 -1.04 0.09 -4.44 114.28 106.65 1lwm n THR 91 Ca 0.02 -0.65 -0.06 0.00 -2.04 0.00 0.00 64.05 61.32 1lwm n THR 91 Cb 0.36 -0.48 -0.05 0.00 -1.82 0.00 0.00 70.33 68.34 1lwm n THR 91 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1lwm h LEU 92 N 0.00 -0.03 0.00 -4.42 5.85 -0.85 -3.51 115.31 112.35 1lwm h LEU 92 Ca -0.15 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1lwm h LEU 92 Cb 1.45 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.49 1lwm h LEU 92 CO 0.03 0.63 0.00 0.00 -0.34 0.00 0.00 178.44 178.76