#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 0.91 -3.05 2.03 3.14 -1.26 -4.23 118.33 115.87 1lwm n VAL 2 Ca 0.00 -0.61 -0.15 0.00 -2.96 0.00 0.00 64.34 60.62 1lwm n VAL 2 Cb 0.00 -0.02 0.01 0.00 -1.06 0.00 0.00 33.84 32.77 1lwm n VAL 2 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1lwm n THR 3 N 0.50 -0.12 -2.23 1.55 -2.24 -1.26 -5.13 114.28 105.35 1lwm n THR 3 Ca 0.14 -3.66 -0.41 0.00 -2.27 0.00 0.00 64.05 57.85 1lwm n THR 3 Cb 0.51 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 1lwm n THR 3 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1lwm s PRO 4 N -1.62 4.43 -0.30 -0.78 0.04 -1.26 -5.02 135.00 130.49 1lwm s PRO 4 Ca 0.35 2.07 -0.00 0.00 0.04 0.00 0.00 61.00 63.45 1lwm s PRO 4 Cb 0.33 -3.14 0.19 0.00 0.04 0.00 0.00 34.50 31.92 1lwm s PRO 4 CO -0.07 -0.12 0.63 0.50 0.04 0.00 0.00 177.00 177.98 1lwm s ARG 5 N -1.16 0.54 0.07 4.56 3.52 -1.26 -5.06 118.95 120.14 1lwm s ARG 5 Ca 0.50 0.84 -0.33 0.00 -0.13 0.00 0.00 55.73 56.62 1lwm s ARG 5 Cb -0.37 0.45 -0.17 0.00 -1.56 0.00 0.00 34.95 33.30 1lwm s ARG 5 CO 0.45 -0.70 1.51 0.93 -0.81 0.00 0.00 175.30 176.68 1lwm h GLU 6 N 7.99 -1.02 -6.46 5.12 5.08 -2.08 -3.41 114.58 119.79 1lwm h GLU 6 Ca -0.17 0.07 -0.54 0.00 -1.00 0.00 0.00 59.36 57.73 1lwm h GLU 6 Cb 1.17 0.23 0.01 0.00 0.50 0.00 0.00 28.75 30.66 1lwm h GLU 6 CO 0.21 -0.68 0.78 -1.25 -1.00 0.00 0.00 179.01 177.07 1lwm s PRO 7 N -5.61 4.30 0.63 2.33 0.04 -1.26 -5.03 135.00 130.39 1lwm s PRO 7 Ca -0.17 2.03 0.05 0.00 0.04 0.00 0.00 61.00 62.94 1lwm s PRO 7 Cb 0.03 -3.42 0.10 0.00 0.04 0.00 0.00 34.50 31.25 1lwm s PRO 7 CO 0.54 -0.51 0.86 0.15 0.04 0.00 0.00 177.00 178.09 1lwm s LYS 8 N 1.77 2.07 0.00 4.56 1.02 -1.26 -5.01 119.74 122.90 1lwm s LYS 8 Ca 0.65 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1lwm s LYS 8 Cb -0.34 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 1lwm s LYS 8 CO 0.29 -1.07 0.00 1.63 -0.92 0.00 0.00 175.35 175.27 1lwm n LYS 9 N -2.48 0.00 -3.20 1.68 5.02 -1.26 -5.09 118.16 112.83 1lwm n LYS 9 Ca 0.15 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.01 1lwm n LYS 9 Cb 0.61 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.54 1lwm n LYS 9 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1lwm s ARG 10 N -1.88 3.27 0.44 1.97 0.52 -1.26 -5.05 118.95 116.96 1lwm s ARG 10 Ca 0.00 -0.47 -0.22 0.00 -0.52 0.00 0.00 55.73 54.51 1lwm s ARG 10 Cb 0.00 -3.94 -0.08 0.00 0.52 0.00 0.00 34.95 31.45 1lwm s ARG 10 CO 0.00 -0.90 1.07 -0.08 0.02 0.00 0.00 175.30 175.40 1lwm s THR 11 N 2.53 3.61 -0.34 0.02 -1.32 -1.26 -5.03 115.64 113.85 1lwm s THR 11 Ca 0.18 1.14 0.04 0.00 -1.21 0.00 0.00 61.69 61.84 1lwm s THR 11 Cb -0.15 -3.54 0.10 0.00 -1.51 0.00 0.00 72.50 67.39 1lwm s THR 11 CO 0.16 -0.08 0.06 -0.89 -2.21 0.00 0.00 174.62 171.66 1lwm s THR 12 N -1.75 2.17 -1.17 5.08 2.01 -1.26 -5.04 115.64 115.67 1lwm s THR 12 Ca 0.63 -2.29 -0.17 0.00 0.31 0.00 0.00 61.69 60.17 1lwm s THR 12 Cb -0.21 -2.61 0.11 0.00 0.01 0.00 0.00 72.50 69.80 1lwm s THR 12 CO 0.26 -0.61 1.50 -0.13 -0.69 0.00 0.00 174.62 174.95 1lwm s ARG 13 N 0.94 3.91 0.27 4.92 1.81 -1.26 -5.00 118.95 124.54 1lwm s ARG 13 Ca 0.11 -2.04 -0.04 0.00 -1.72 0.00 0.00 55.73 52.04 1lwm s ARG 13 Cb -0.19 -5.26 0.06 0.00 -0.45 0.00 0.00 34.95 29.11 1lwm s ARG 13 CO -0.09 -2.01 0.13 1.63 -0.68 0.00 0.00 175.30 174.27 1lwm n LYS 14 N 7.24 -0.65 -1.99 3.54 4.01 -1.26 -5.06 118.16 124.00 1lwm n LYS 14 Ca 0.39 -0.21 0.00 0.00 -0.51 0.00 0.00 58.31 57.98 1lwm n LYS 14 Cb 0.46 -0.39 0.00 0.00 -0.51 0.00 0.00 35.03 34.59 1lwm n LYS 14 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1lwm n LYS 15 N -1.33 0.47 0.00 1.97 3.00 -1.26 -5.11 118.16 115.90 1lwm n LYS 15 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1lwm n LYS 15 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.12 1lwm n LYS 15 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1lwm n LYS 16 N 0.00 0.00 -3.92 1.64 0.00 -1.26 -4.55 118.16 110.08 1lwm n LYS 16 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 1lwm n LYS 16 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 34.87 1lwm n LYS 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1lwm s ASP 17 N -3.54 3.22 1.12 -5.58 1.11 -1.26 -5.13 116.67 106.60 1lwm s ASP 17 Ca 0.00 -0.85 -0.18 0.00 0.18 0.00 0.00 52.55 51.70 1lwm s ASP 17 Cb 0.00 -1.03 0.15 0.00 1.07 0.00 0.00 42.92 43.11 1lwm s ASP 17 CO 0.00 -0.20 0.17 -2.65 1.18 0.00 0.00 175.17 173.67 1lwm n PRO 18 N 4.79 -2.09 -1.07 8.23 -0.02 -1.26 -4.60 135.00 138.97 1lwm n PRO 18 Ca -0.12 -0.60 -0.51 0.00 -2.02 0.00 0.00 63.50 60.24 1lwm n PRO 18 Cb 0.46 -1.66 -0.10 0.00 -0.02 0.00 0.00 33.50 32.18 1lwm n PRO 18 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1lwm n ASN 19 N -1.96 0.63 -4.31 2.55 0.23 -1.26 -4.90 115.26 106.24 1lwm n ASN 19 Ca 0.03 0.57 -0.16 0.00 -0.53 0.00 0.00 54.58 54.49 1lwm n ASN 19 Cb 0.55 -0.77 -0.10 0.00 -2.08 0.00 0.00 39.78 37.38 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1lwm s ALA 20 N 5.18 1.72 -0.83 -2.53 0.00 -1.26 -4.77 121.76 119.26 1lwm s ALA 20 Ca 1.03 -1.72 -0.21 0.00 0.00 0.00 0.00 51.96 51.06 1lwm s ALA 20 Cb -1.28 0.46 -0.20 0.00 0.00 0.00 0.00 23.12 22.10 1lwm s ALA 20 CO 0.56 -0.24 2.37 -2.30 0.00 0.00 0.00 175.76 176.14 1lwm n PRO 21 N -0.37 0.40 -3.55 0.00 -0.02 -1.26 -4.76 135.00 125.43 1lwm n PRO 21 Ca -0.06 -0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 60.63 1lwm n PRO 21 Cb 0.63 -2.61 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 1lwm n PRO 21 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1lwm s LYS 22 N 8.25 2.72 -0.86 -0.52 2.20 -1.26 -5.01 119.74 125.26 1lwm s LYS 22 Ca 1.10 -2.10 -0.28 0.00 -0.36 0.00 0.00 55.97 54.33 1lwm s LYS 22 Cb -0.47 -3.97 -0.19 0.00 -1.51 0.00 0.00 37.83 31.68 1lwm s LYS 22 CO 0.30 -1.21 2.36 0.54 -0.36 0.00 0.00 175.35 176.98 1lwm n ARG 23 N 4.35 0.00 0.00 4.03 1.74 -1.26 -4.81 116.66 120.71 1lwm n ARG 23 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1lwm n ARG 23 Cb 0.41 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 1lwm n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lwm n ALA 24 N 9.14 0.00 -2.38 7.54 0.00 -1.26 -5.04 120.51 128.51 1lwm n ALA 24 Ca 0.58 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.83 1lwm n ALA 24 Cb 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.37 1lwm n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1lwm s LEU 25 N 0.00 2.51 0.37 0.00 1.02 -1.26 -5.07 118.68 116.25 1lwm s LEU 25 Ca 0.00 -0.96 0.08 0.00 0.02 0.00 0.00 54.13 53.27 1lwm s LEU 25 Cb 0.00 -0.67 -0.06 0.00 0.02 0.00 0.00 46.19 45.48 1lwm s LEU 25 CO 0.00 -0.15 0.07 -0.44 0.02 0.00 0.00 176.35 175.85 1lwm s SER 26 N -3.05 4.26 0.59 2.29 0.01 -1.26 -4.47 113.70 112.06 1lwm s SER 26 Ca 0.19 -1.04 0.29 0.00 1.31 0.00 0.00 55.95 56.70 1lwm s SER 26 Cb -0.02 -0.52 1.51 0.00 0.21 0.00 0.00 66.02 67.20 1lwm s SER 26 CO 0.06 -0.35 1.93 0.00 0.41 0.00 0.00 173.24 175.28 1lwm h ALA 27 N 1.67 2.09 0.08 1.44 0.00 -1.86 0.25 119.26 122.93 1lwm h ALA 27 Ca -0.43 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 1lwm h ALA 27 Cb 1.25 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1lwm h ALA 27 CO 0.69 -0.64 -1.13 -0.92 0.00 0.00 0.00 179.25 177.25 1lwm h TYR 28 N 0.00 0.56 0.00 0.00 5.03 -1.94 -2.65 116.97 117.97 1lwm h TYR 28 Ca 0.19 -0.36 -0.10 0.00 2.58 0.00 0.00 58.73 61.03 1lwm h TYR 28 Cb 1.06 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.28 1lwm h TYR 28 CO 0.00 1.24 -0.48 1.98 -1.32 0.00 0.00 178.16 179.58 1lwm h MET 29 N 0.14 0.00 0.14 1.82 4.05 -0.90 0.19 114.93 120.37 1lwm h MET 29 Ca -0.12 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1lwm h MET 29 Cb 1.82 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.62 1lwm h MET 29 CO 0.19 0.48 -0.07 0.74 0.23 0.00 0.00 176.91 178.48 1lwm h PHE 30 N 0.00 -0.18 0.00 1.39 0.04 -1.39 0.90 116.94 117.71 1lwm h PHE 30 Ca -0.00 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1lwm h PHE 30 Cb 0.85 0.06 -0.00 0.00 2.20 0.00 0.00 35.95 39.06 1lwm h PHE 30 CO 0.00 0.22 -0.03 0.35 -0.60 0.00 0.00 178.31 178.25 1lwm h PHE 31 N -0.94 0.00 0.02 -0.55 3.04 -1.50 -2.32 116.94 114.68 1lwm h PHE 31 Ca -0.02 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.64 1lwm h PHE 31 Cb 0.47 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.94 1lwm h PHE 31 CO 0.08 0.03 -1.61 0.00 -2.02 0.00 0.00 178.31 174.79 1lwm h ALA 32 N 1.97 0.65 -0.01 2.41 0.00 -0.66 -2.15 119.26 121.47 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 0.36 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1lwm h ALA 32 CO 0.00 1.49 -0.55 -0.91 0.00 0.00 0.00 179.25 179.28 1lwm h ASN 33 N 0.01 0.04 0.07 0.00 -0.26 -0.32 0.63 115.58 115.75 1lwm h ASN 33 Ca -0.25 -0.02 -0.30 0.00 -0.56 0.00 0.00 56.30 55.16 1lwm h ASN 33 Cb 1.98 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 39.20 1lwm h ASN 33 CO 0.09 0.59 -1.64 -0.08 -1.06 0.00 0.00 177.43 175.33 1lwm h GLU 34 N 0.03 0.15 0.00 0.81 4.57 -1.56 -3.35 114.58 115.24 1lwm h GLU 34 Ca -0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1lwm h GLU 34 Cb 0.99 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1lwm h GLU 34 CO 0.07 1.12 0.00 -0.91 -1.18 0.00 0.00 179.01 178.12 1lwm h ASN 35 N -0.43 0.00 1.01 1.04 -0.26 -1.44 -2.38 115.58 113.11 1lwm h ASN 35 Ca -0.39 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.28 1lwm h ASN 35 Cb 1.70 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.95 1lwm h ASN 35 CO -0.05 0.00 -0.37 -0.09 -1.06 0.00 0.00 177.43 175.87 1lwm h ARG 36 N 0.00 0.00 0.12 0.81 1.12 -1.01 -2.27 114.38 113.14 1lwm h ARG 36 Ca 0.00 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.53 1lwm h ARG 36 Cb 0.53 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.48 1lwm h ARG 36 CO 0.00 0.37 -1.80 0.22 -3.11 0.00 0.00 179.97 175.64 1lwm h ASP 37 N 0.00 0.39 -0.60 -3.80 3.58 -1.57 -2.15 116.42 112.28 1lwm h ASP 37 Ca -0.00 -0.72 -0.05 0.00 0.42 0.00 0.00 57.03 56.68 1lwm h ASP 37 Cb 0.97 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.87 1lwm h ASP 37 CO 0.05 1.63 0.19 0.40 -2.88 0.00 0.00 179.24 178.63 1lwm h ILE 38 N 0.07 1.24 0.05 2.25 2.04 -1.46 -0.39 117.51 121.30 1lwm h ILE 38 Ca -0.35 -0.82 -0.27 0.00 1.00 0.00 0.00 64.86 64.43 1lwm h ILE 38 Cb 2.04 0.64 0.02 0.00 -0.74 0.00 0.00 36.82 38.79 1lwm h ILE 38 CO 0.12 0.31 -1.07 0.58 0.00 0.00 0.00 178.15 178.09 1lwm h VAL 39 N 0.85 1.30 -0.45 1.67 2.07 -1.55 -2.62 116.25 117.51 1lwm h VAL 39 Ca 0.19 -2.31 0.04 0.00 0.82 0.00 0.00 66.70 65.44 1lwm h VAL 39 Cb 0.28 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1lwm h VAL 39 CO -0.01 0.71 0.30 0.03 0.02 0.00 0.00 177.57 178.62 1lwm h ARG 40 N 0.29 0.45 -0.03 1.57 3.08 -1.27 0.59 114.38 119.06 1lwm h ARG 40 Ca -0.15 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.67 1lwm h ARG 40 Cb 1.74 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.69 1lwm h ARG 40 CO 0.21 0.30 -0.84 0.66 -1.07 0.00 0.00 179.97 179.22 1lwm h SER 41 N 0.46 0.48 0.80 7.04 4.64 -1.06 -1.73 113.55 124.19 1lwm h SER 41 Ca 0.19 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1lwm h SER 41 Cb 0.17 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1lwm h SER 41 CO -0.05 1.13 -0.14 -0.62 -0.87 0.00 0.00 176.83 176.29 1lwm n GLU 42 N -3.78 0.08 -2.73 4.77 1.02 -0.29 -3.99 120.64 115.72 1lwm n GLU 42 Ca -0.05 -0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 56.95 1lwm n GLU 42 Cb 0.78 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.71 1lwm n GLU 42 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1lwm n ASN 43 N -1.45 1.61 0.22 1.62 0.23 0.19 -4.92 115.26 112.77 1lwm n ASN 43 Ca 0.08 -2.84 0.11 0.00 -0.53 0.00 0.00 54.58 51.39 1lwm n ASN 43 Cb 0.33 -0.54 0.57 0.00 -2.08 0.00 0.00 39.78 38.06 1lwm n ASN 43 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1lwm h PRO 44 N 2.97 0.00 0.15 -0.53 0.11 -1.45 0.33 132.00 133.59 1lwm h PRO 44 Ca -0.04 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.77 1lwm h PRO 44 Cb 1.12 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.24 1lwm h PRO 44 CO 0.53 0.00 -1.41 -0.44 -0.21 0.00 0.00 178.00 176.47 1lwm h ASP 45 N 0.00 0.50 -1.90 -2.05 3.32 -1.91 -3.47 116.42 110.91 1lwm h ASP 45 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.46 1lwm h ASP 45 Cb 0.48 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1lwm h ASP 45 CO 0.00 1.48 0.00 2.30 -1.72 0.00 0.00 179.24 181.30 1lwm n ILE 46 N -3.54 0.00 -2.99 0.35 -5.35 0.11 -5.14 119.36 102.79 1lwm n ILE 46 Ca -0.13 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1lwm n ILE 46 Cb 1.05 -1.50 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 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 -0.67 0.00 0.34 7.28 -2.24 -1.26 -5.00 114.28 112.72 1lwm n THR 47 Ca 0.00 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.96 1lwm n THR 47 Cb 0.00 0.00 0.95 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.54 0.00 -0.82 4.78 3.57 -1.97 -1.64 116.94 121.40 1lwm h PHE 48 Ca 0.00 0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.74 1lwm h PHE 48 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1lwm h PHE 48 CO 0.00 0.00 0.66 0.78 -2.23 0.00 0.00 178.31 177.52 1lwm h GLY 49 N 0.00 0.00 0.00 2.40 0.00 -2.00 -2.34 103.07 101.13 1lwm h GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1lwm h GLY 49 CO -0.00 0.00 -0.60 -1.06 0.00 0.00 0.00 176.54 174.88 1lwm n GLN 50 N -4.04 2.40 0.02 4.80 3.00 -0.74 -4.66 117.38 118.15 1lwm n GLN 50 Ca 0.17 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.04 1lwm n GLN 50 Cb 0.95 -0.80 -0.07 0.00 0.00 0.00 0.00 30.24 30.32 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 0.00 1.07 -0.01 5.09 2.07 -1.19 -0.61 116.25 122.66 1lwm h VAL 51 Ca 0.00 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1lwm h VAL 51 Cb 0.35 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1lwm h VAL 51 CO 0.00 0.05 -0.14 1.23 0.02 0.00 0.00 177.57 178.74 1lwm h GLY 52 N -0.01 0.01 2.00 2.17 0.00 -1.67 -0.86 103.07 104.71 1lwm h GLY 52 Ca 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1lwm h GLY 52 CO -0.00 0.00 -0.19 1.70 0.00 0.00 0.00 176.54 178.06 1lwm h LYS 53 N 0.01 0.00 0.17 4.80 3.11 -1.61 -1.83 116.57 121.23 1lwm h LYS 53 Ca 0.00 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.53 1lwm h LYS 53 Cb 0.25 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.50 1lwm h LYS 53 CO 0.02 0.19 -1.33 0.87 -2.81 0.00 0.00 179.45 176.39 1lwm h LYS 54 N 0.00 0.51 0.00 1.90 1.57 0.27 -2.24 116.57 118.57 1lwm h LYS 54 Ca -0.00 -0.78 -0.09 0.00 -1.87 0.00 0.00 60.65 57.91 1lwm h LYS 54 Cb 0.92 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1lwm h LYS 54 CO 0.02 1.36 -0.42 -0.07 -0.57 0.00 0.00 179.45 179.78 1lwm h LEU 55 N 0.18 0.00 0.08 2.94 3.38 -1.33 -1.01 115.31 119.54 1lwm h LEU 55 Ca -0.20 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.48 1lwm h LEU 55 Cb 2.01 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.79 1lwm h LEU 55 CO 0.24 0.42 -1.21 1.23 0.09 0.00 0.00 178.44 179.21 1lwm h GLY 56 N 2.52 0.59 1.88 0.83 0.00 -1.35 -1.48 103.07 106.06 1lwm h GLY 56 Ca -0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 47.33 45.87 1lwm h GLY 56 CO 0.05 1.09 -1.01 0.83 0.00 0.00 0.00 176.54 177.51 1lwm h GLU 57 N 0.23 0.10 -0.02 4.80 5.08 -1.39 -1.15 114.58 122.23 1lwm h GLU 57 Ca -0.16 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1lwm h GLU 57 Cb 1.88 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.19 1lwm h GLU 57 CO 0.22 1.02 -0.23 0.87 -1.00 0.00 0.00 179.01 179.88 1lwm h LYS 58 N 0.04 0.19 -0.20 2.33 1.79 -1.26 -2.33 116.57 117.12 1lwm h LYS 58 Ca -0.04 -0.18 -0.05 0.00 -2.18 0.00 0.00 60.65 58.20 1lwm h LYS 58 Cb 1.72 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 32.41 1lwm h LYS 58 CO 0.14 0.88 -0.07 2.35 -1.08 0.00 0.00 179.45 181.68 1lwm h TRP 59 N -0.44 0.45 -0.93 -1.35 2.91 -1.37 0.41 115.95 115.64 1lwm h TRP 59 Ca -0.02 -0.10 0.06 0.00 1.13 0.00 0.00 58.89 59.95 1lwm h TRP 59 Cb 0.95 -0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 29.43 1lwm h TRP 59 CO 0.16 0.67 0.60 1.57 -1.03 0.00 0.00 178.44 180.41 1lwm h LYS 60 N 0.10 1.04 -0.01 2.65 5.09 -1.31 0.64 116.57 124.78 1lwm h LYS 60 Ca 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 60.65 60.73 1lwm h LYS 60 Cb 0.53 -0.23 0.00 0.00 0.10 0.00 0.00 32.23 32.63 1lwm h LYS 60 CO 0.02 0.69 -0.25 0.00 -2.09 0.00 0.00 179.45 177.82 1lwm n ALA 61 N -2.39 3.07 -2.18 0.07 0.00 -0.88 -4.85 120.51 113.35 1lwm n ALA 61 Ca 0.14 -0.39 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 1lwm n ALA 61 Cb 0.19 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.51 3.80 0.02 0.00 0.05 0.14 -4.91 118.68 115.29 1lwm s LEU 62 Ca 0.24 1.42 -0.30 0.00 0.05 0.00 0.00 54.13 55.55 1lwm s LEU 62 Cb 0.19 -3.53 -0.15 0.00 -2.05 0.00 0.00 46.19 40.65 1lwm s LEU 62 CO 0.52 -1.31 0.76 0.41 -0.55 0.00 0.00 176.35 176.18 1lwm n THR 63 N 6.59 0.24 0.32 5.48 -1.04 -1.26 -4.64 114.28 119.97 1lwm n THR 63 Ca 0.18 -0.06 0.19 0.00 -2.04 0.00 0.00 64.05 62.33 1lwm n THR 63 Cb 0.46 0.00 1.03 0.00 -1.82 0.00 0.00 70.33 70.00 1lwm n THR 63 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1lwm h PRO 64 N 2.08 0.00 -0.26 -2.82 0.11 -1.93 -0.69 132.00 128.49 1lwm h PRO 64 Ca -0.37 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.64 1lwm h PRO 64 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1lwm h PRO 64 CO 0.49 0.00 -0.27 0.93 -0.21 0.00 0.00 178.00 178.94 1lwm h GLU 65 N 0.00 0.50 0.00 1.05 5.08 -2.01 0.48 114.58 119.69 1lwm h GLU 65 Ca 0.01 -0.20 -0.18 0.00 -1.00 0.00 0.00 59.36 57.99 1lwm h GLU 65 Cb 0.27 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1lwm h GLU 65 CO -0.00 0.73 -1.16 0.93 -1.00 0.00 0.00 179.01 178.51 1lwm h GLU 66 N 0.44 0.00 0.00 2.33 4.39 -1.46 -3.30 114.58 116.98 1lwm h GLU 66 Ca 0.06 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 1lwm h GLU 66 Cb 0.71 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1lwm h GLU 66 CO 0.05 0.48 -0.35 -0.22 -1.16 0.00 0.00 179.01 177.82 1lwm h LYS 67 N 0.00 0.00 -0.79 2.33 3.64 -1.25 -3.36 116.57 117.14 1lwm h LYS 67 Ca -0.12 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1lwm h LYS 67 Cb 1.63 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.35 1lwm h LYS 67 CO 0.07 0.35 -0.41 1.04 -2.27 0.00 0.00 179.45 178.23 1lwm n GLN 68 N -3.21 -0.29 -0.17 1.90 6.02 0.14 0.20 117.38 121.98 1lwm n GLN 68 Ca 0.02 1.20 -0.02 0.00 -0.01 0.00 0.00 57.00 58.19 1lwm n GLN 68 Cb 0.65 -1.76 0.07 0.00 1.02 0.00 0.00 30.24 30.22 1lwm n GLN 68 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1lwm h PRO 69 N 0.00 0.34 0.56 -1.09 0.11 -1.83 -1.97 132.00 128.12 1lwm h PRO 69 Ca 0.18 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 1lwm h PRO 69 Cb 0.37 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1lwm h PRO 69 CO -0.75 0.23 -0.38 1.88 -0.21 0.00 0.00 178.00 178.77 1lwm h TYR 70 N 0.35 -1.01 -1.04 0.65 -1.99 -0.47 -1.83 116.97 111.64 1lwm h TYR 70 Ca 0.26 -0.01 0.28 0.00 2.00 0.00 0.00 58.73 61.26 1lwm h TYR 70 Cb 0.29 0.37 -0.12 0.00 2.00 0.00 0.00 36.73 39.27 1lwm h TYR 70 CO -0.17 -0.55 0.63 1.49 -0.00 0.00 0.00 178.16 179.56 1lwm h GLU 71 N -0.89 0.42 -0.79 4.88 4.81 -1.12 0.41 114.58 122.30 1lwm h GLU 71 Ca -0.08 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1lwm h GLU 71 Cb 0.72 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 1lwm h GLU 71 CO 0.06 0.28 0.44 0.00 -0.73 0.00 0.00 179.01 179.06 1lwm h ALA 72 N 1.72 1.01 -0.21 2.92 0.00 -0.92 -1.14 119.26 122.64 1lwm h ALA 72 Ca 0.67 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.38 1lwm h ALA 72 Cb 1.51 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1lwm h ALA 72 CO -0.45 0.51 -0.24 -0.22 0.00 0.00 0.00 179.25 178.84 1lwm h LYS 73 N 1.09 0.39 0.00 0.00 1.63 0.60 -2.04 116.57 118.23 1lwm h LYS 73 Ca 0.28 -0.14 -0.08 0.00 -0.85 0.00 0.00 60.65 59.86 1lwm h LYS 73 Cb 0.01 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1lwm h LYS 73 CO -0.05 0.61 -0.38 0.00 -3.45 0.00 0.00 179.45 176.18 1lwm h ALA 74 N 1.40 1.21 -0.03 5.00 0.00 -0.48 -1.27 119.26 125.10 1lwm h ALA 74 Ca 0.05 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 1lwm h ALA 74 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1lwm h ALA 74 CO 0.04 0.48 -0.83 1.96 0.00 0.00 0.00 179.25 180.91 1lwm h GLN 75 N 0.00 0.30 -0.10 0.00 7.50 -0.57 0.92 115.11 123.17 1lwm h GLN 75 Ca -0.00 -0.29 -0.16 0.00 0.50 0.00 0.00 58.65 58.69 1lwm h GLN 75 Cb 0.75 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.35 1lwm h GLN 75 CO 0.05 0.97 -0.64 0.00 -1.50 0.00 0.00 178.83 177.71 1lwm h ALA 76 N 0.93 0.71 0.00 3.87 0.00 -1.03 -2.00 119.26 121.73 1lwm h ALA 76 Ca -0.04 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1lwm h ALA 76 Cb 1.43 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1lwm h ALA 76 CO 0.13 0.73 -0.58 0.22 0.00 0.00 0.00 179.25 179.76 1lwm h ASP 77 N 0.28 0.00 0.68 0.00 1.82 -1.19 -2.46 116.42 115.55 1lwm h ASP 77 Ca -0.01 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.50 1lwm h ASP 77 Cb 1.19 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.18 1lwm h ASP 77 CO 0.11 0.53 -0.63 0.50 -1.61 0.00 0.00 179.24 178.14 1lwm h LYS 78 N 0.00 0.00 0.00 0.28 3.64 -0.64 -2.02 116.57 117.83 1lwm h LYS 78 Ca -0.01 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1lwm h LYS 78 Cb 1.42 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.21 1lwm h LYS 78 CO 0.07 0.63 -0.99 -0.22 -2.27 0.00 0.00 179.45 176.66 1lwm h LYS 79 N 0.00 0.00 -0.08 1.90 3.64 -1.33 -2.30 116.57 118.39 1lwm h LYS 79 Ca -0.01 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 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 0.59 -0.78 -0.09 -2.27 0.00 0.00 179.45 176.98 1lwm h ARG 80 N 0.00 0.49 0.18 1.90 2.43 -1.30 0.13 114.38 118.21 1lwm h ARG 80 Ca -0.08 -0.42 -0.30 0.00 -0.81 0.00 0.00 59.98 58.37 1lwm h ARG 80 Cb 1.61 0.09 0.02 0.00 -0.42 0.00 0.00 29.97 31.27 1lwm h ARG 80 CO 0.08 1.06 -1.34 -0.92 -1.51 0.00 0.00 179.97 177.34 1lwm h TYR 81 N 0.33 0.68 0.00 2.20 3.20 -1.45 -2.71 116.97 119.22 1lwm h TYR 81 Ca -0.04 -0.49 -0.07 0.00 3.14 0.00 0.00 58.73 61.26 1lwm h TYR 81 Cb 1.38 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.61 1lwm h TYR 81 CO 0.06 1.39 -0.35 0.93 -1.64 0.00 0.00 178.16 178.55 1lwm h GLU 82 N 0.10 0.00 0.00 1.82 5.08 -1.45 -2.34 114.58 117.79 1lwm h GLU 82 Ca -0.18 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1lwm h GLU 82 Cb 2.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1lwm h GLU 82 CO 0.23 0.35 -0.19 0.66 -1.00 0.00 0.00 179.01 179.06 1lwm h SER 83 N 0.00 0.17 -0.58 1.42 4.64 -0.78 -1.92 113.55 116.50 1lwm h SER 83 Ca -0.00 -0.79 -0.10 0.00 -0.47 0.00 0.00 61.79 60.42 1lwm h SER 83 Cb 1.19 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 1lwm h SER 83 CO 0.05 0.94 -0.03 1.05 -0.87 0.00 0.00 176.83 177.97 1lwm h GLU 84 N -0.59 1.05 -0.54 4.77 4.11 -1.55 -2.23 114.58 119.60 1lwm h GLU 84 Ca -0.02 -0.34 -0.10 0.00 0.07 0.00 0.00 59.36 58.97 1lwm h GLU 84 Cb 0.97 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1lwm h GLU 84 CO 0.04 1.04 -0.05 -0.22 0.07 0.00 0.00 179.01 179.89 1lwm h LYS 85 N 0.95 0.96 -0.72 1.06 3.64 -1.51 -2.05 116.57 118.91 1lwm h LYS 85 Ca 0.16 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 1lwm h LYS 85 Cb 0.58 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1lwm h LYS 85 CO 0.03 0.98 0.27 0.93 -2.27 0.00 0.00 179.45 179.40 1lwm h GLU 86 N 0.88 1.09 -0.60 1.90 5.08 -1.14 -1.91 114.58 119.87 1lwm h GLU 86 Ca 0.15 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1lwm h GLU 86 Cb 0.58 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1lwm h GLU 86 CO 0.03 0.91 0.01 -0.07 -1.00 0.00 0.00 179.01 178.90 1lwm h LEU 87 N 1.05 1.04 0.08 1.33 3.38 -1.21 -1.68 115.31 119.30 1lwm h LEU 87 Ca 0.24 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1lwm h LEU 87 Cb 0.24 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1lwm h LEU 87 CO -0.02 1.08 -0.04 0.22 0.09 0.00 0.00 178.44 179.78 1lwm h TYR 88 N 0.96 -0.11 -0.17 1.13 3.20 -1.10 0.82 116.97 121.70 1lwm h TYR 88 Ca 0.17 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1lwm h TYR 88 Cb 0.55 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1lwm h TYR 88 CO 0.04 0.00 0.01 -0.97 -1.64 0.00 0.00 178.16 175.60 1lwm h ASN 89 N -0.19 0.22 1.87 -2.11 -1.24 -1.31 -0.82 115.58 112.00 1lwm h ASN 89 Ca -0.01 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1lwm h ASN 89 Cb 0.16 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1lwm h ASN 89 CO 0.02 0.26 0.00 0.00 -1.29 0.00 0.00 177.43 176.42 1lwm h ALA 90 N 1.78 1.00 0.00 1.57 0.00 -0.88 -2.34 119.26 120.39 1lwm h ALA 90 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1lwm h ALA 90 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1lwm h ALA 90 CO 0.00 0.00 -1.14 1.15 0.00 0.00 0.00 179.25 179.26 1lwm h THR 91 N 0.00 0.60 0.00 0.00 2.02 0.49 -3.38 112.91 112.64 1lwm h THR 91 Ca 0.00 -2.04 -0.08 0.00 0.77 0.00 0.00 66.41 65.06 1lwm h THR 91 Cb 0.94 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 1lwm h THR 91 CO 0.00 0.34 -0.56 0.25 0.37 0.00 0.00 175.52 175.92 1lwm h LEU 92 N 0.00 0.00 0.00 2.58 5.85 -1.23 -3.51 115.31 119.00 1lwm h LEU 92 Ca -0.11 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1lwm h LEU 92 Cb 1.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.54 1lwm h LEU 92 CO 0.05 1.05 0.00 0.00 -0.34 0.00 0.00 178.44 179.20