#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 -2.10 0.00 2.03 0.31 -1.26 -5.12 118.33 112.19 1lwm n VAL 2 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1lwm n VAL 2 Cb 0.00 -4.02 0.00 0.00 -0.91 0.00 0.00 33.84 28.91 1lwm n VAL 2 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1lwm n THR 3 N 0.01 0.00 -1.37 2.52 5.66 -1.26 -5.17 114.28 114.67 1lwm n THR 3 Ca -0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.68 1lwm n THR 3 Cb 0.00 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 68.86 1lwm n THR 3 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1lwm s PRO 4 N -0.43 2.37 0.34 1.09 0.04 -1.26 -4.86 135.00 132.30 1lwm s PRO 4 Ca 0.00 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1lwm s PRO 4 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1lwm s PRO 4 CO 0.00 -1.57 0.00 0.54 0.04 0.00 0.00 177.00 176.01 1lwm n ARG 5 N -3.27 -2.60 -4.02 4.56 1.74 -1.26 -4.87 116.66 106.94 1lwm n ARG 5 Ca 0.09 1.71 -0.29 0.00 -0.77 0.00 0.00 57.85 58.60 1lwm n ARG 5 Cb 0.53 -3.17 -0.05 0.00 -1.02 0.00 0.00 32.46 28.74 1lwm n ARG 5 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1lwm s GLU 6 N -2.07 3.08 0.15 5.56 2.02 -1.26 -5.12 118.70 121.07 1lwm s GLU 6 Ca 0.00 -0.68 -0.03 0.00 0.02 0.00 0.00 54.97 54.29 1lwm s GLU 6 Cb 0.00 -2.80 0.04 0.00 0.10 0.00 0.00 34.13 31.47 1lwm s GLU 6 CO 0.00 0.55 0.14 -0.35 0.02 0.00 0.00 175.26 175.61 1lwm n PRO 7 N 0.05 -1.30 -0.08 0.39 -0.04 -1.26 -5.02 135.00 127.74 1lwm n PRO 7 Ca -0.08 -0.22 -0.17 0.00 -0.04 0.00 0.00 63.50 63.00 1lwm n PRO 7 Cb 0.53 -0.21 -0.13 0.00 -0.04 0.00 0.00 33.50 33.65 1lwm n PRO 7 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1lwm n LYS 8 N -1.94 0.69 -1.47 0.54 5.02 -1.26 -4.91 118.16 114.83 1lwm n LYS 8 Ca 0.02 0.17 -0.54 0.00 -2.02 0.00 0.00 58.31 55.94 1lwm n LYS 8 Cb 0.07 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.41 1lwm n LYS 8 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1lwm n LYS 9 N -3.21 0.93 -3.78 1.97 4.81 -1.26 -4.87 118.16 112.75 1lwm n LYS 9 Ca -0.37 0.28 -0.04 0.00 -0.87 0.00 0.00 58.31 57.31 1lwm n LYS 9 Cb 1.04 -2.24 -0.01 0.00 0.02 0.00 0.00 35.03 33.84 1lwm n LYS 9 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1lwm s ARG 10 N 5.63 1.34 0.00 1.64 3.52 -1.26 -5.09 118.95 124.74 1lwm s ARG 10 Ca 1.09 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 1lwm s ARG 10 Cb -1.00 0.45 0.00 0.00 -1.56 0.00 0.00 34.95 32.84 1lwm s ARG 10 CO 0.55 -0.61 0.00 2.41 -0.81 0.00 0.00 175.30 176.84 1lwm n THR 11 N -0.48 0.00 -2.93 4.11 -1.04 -1.26 -5.10 114.28 107.58 1lwm n THR 11 Ca -0.06 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.55 1lwm n THR 11 Cb 0.60 -0.22 -0.05 0.00 -1.82 0.00 0.00 70.33 68.85 1lwm n THR 11 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1lwm s THR 12 N -1.75 4.78 0.20 12.58 -1.32 -1.26 -5.06 115.64 123.81 1lwm s THR 12 Ca 0.00 1.69 -0.07 0.00 -1.21 0.00 0.00 61.69 62.11 1lwm s THR 12 Cb 0.00 -4.15 -0.06 0.00 -1.51 0.00 0.00 72.50 66.78 1lwm s THR 12 CO 0.00 0.32 0.48 -0.13 -2.21 0.00 0.00 174.62 173.07 1lwm s ARG 13 N 0.22 3.70 0.22 7.08 0.52 -1.26 -4.97 118.95 124.46 1lwm s ARG 13 Ca 0.41 0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 1lwm s ARG 13 Cb -0.20 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.53 1lwm s ARG 13 CO 0.23 0.36 0.00 1.63 0.02 0.00 0.00 175.30 177.55 1lwm n LYS 14 N -0.18 0.00 -3.05 3.54 5.02 -1.26 -4.95 118.16 117.28 1lwm n LYS 14 Ca -0.01 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.84 1lwm n LYS 14 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.53 1lwm n LYS 14 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1lwm s LYS 15 N -2.00 4.01 0.00 1.97 2.36 -1.26 -4.30 119.74 120.51 1lwm s LYS 15 Ca 0.00 -2.58 0.00 0.00 -2.55 0.00 0.00 55.97 50.84 1lwm s LYS 15 Cb 0.00 -4.90 0.00 0.00 -1.05 0.00 0.00 37.83 31.88 1lwm s LYS 15 CO 0.00 -1.63 0.00 1.17 1.55 0.00 0.00 175.35 176.44 1lwm n LYS 16 N 5.07 0.00 -3.15 4.03 3.00 -1.26 -5.10 118.16 120.75 1lwm n LYS 16 Ca 0.31 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.66 1lwm n LYS 16 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.46 1lwm n LYS 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1lwm s ASP 17 N 0.00 -0.87 0.96 3.14 2.15 -1.26 -5.17 116.67 115.61 1lwm s ASP 17 Ca 0.00 0.16 -0.11 0.00 0.43 0.00 0.00 52.55 53.03 1lwm s ASP 17 Cb 0.00 1.58 0.17 0.00 -0.30 0.00 0.00 42.92 44.36 1lwm s ASP 17 CO 0.00 -0.16 0.38 -2.65 -0.17 0.00 0.00 175.17 172.57 1lwm n PRO 18 N 5.26 -1.68 -1.52 4.34 -0.02 -1.26 -4.62 135.00 135.50 1lwm n PRO 18 Ca 0.06 -0.64 -0.40 0.00 -2.02 0.00 0.00 63.50 60.50 1lwm n PRO 18 Cb 0.56 -1.12 -0.08 0.00 -0.02 0.00 0.00 33.50 32.84 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 -2.18 1.63 -4.34 2.55 6.94 -1.26 -4.91 115.26 113.69 1lwm n ASN 19 Ca 0.06 -0.15 -0.19 0.00 -0.02 0.00 0.00 54.58 54.28 1lwm n ASN 19 Cb 0.26 -1.32 -0.10 0.00 -2.36 0.00 0.00 39.78 36.26 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1lwm s ALA 20 N 10.44 2.02 -0.21 -2.53 0.00 -1.26 -4.46 121.76 125.76 1lwm s ALA 20 Ca 1.12 -1.63 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 1lwm s ALA 20 Cb -0.63 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1lwm s ALA 20 CO 0.37 0.10 1.60 -1.25 0.00 0.00 0.00 175.76 176.58 1lwm s PRO 21 N -3.47 3.84 -0.01 0.00 0.04 -1.26 -4.60 135.00 129.55 1lwm s PRO 21 Ca 0.21 1.70 0.15 0.00 0.04 0.00 0.00 61.00 63.10 1lwm s PRO 21 Cb -0.02 -4.02 -0.18 0.00 0.04 0.00 0.00 34.50 30.32 1lwm s PRO 21 CO 0.07 -1.23 0.55 1.17 0.04 0.00 0.00 177.00 177.60 1lwm n LYS 22 N 7.57 1.68 -1.25 4.56 4.81 -1.26 -5.06 118.16 129.22 1lwm n LYS 22 Ca 0.18 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1lwm n LYS 22 Cb 0.45 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 34.26 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 -1.53 -3.08 -0.66 1.64 1.74 -1.26 -5.08 116.66 108.44 1lwm n ARG 23 Ca 0.01 2.32 0.00 0.00 -0.77 0.00 0.00 57.85 59.42 1lwm n ARG 23 Cb 0.27 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 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 0.67 0.00 -2.67 7.54 0.00 -1.26 -4.97 120.51 119.81 1lwm n ALA 24 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1lwm n ALA 24 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.84 0.43 0.00 1.43 -1.26 -5.04 118.68 115.08 1lwm s LEU 25 Ca 0.00 -1.24 0.08 0.00 -1.03 0.00 0.00 54.13 51.94 1lwm s LEU 25 Cb 0.00 1.06 0.01 0.00 0.03 0.00 0.00 46.19 47.29 1lwm s LEU 25 CO 0.00 -1.02 0.53 -0.44 0.23 0.00 0.00 176.35 175.65 1lwm s SER 26 N -3.13 5.44 0.61 2.29 0.01 -1.26 -4.54 113.70 113.12 1lwm s SER 26 Ca 0.32 -0.55 0.28 0.00 1.31 0.00 0.00 55.95 57.31 1lwm s SER 26 Cb 0.03 -0.55 1.49 0.00 0.21 0.00 0.00 66.02 67.20 1lwm s SER 26 CO 0.13 -0.78 1.89 0.00 0.41 0.00 0.00 173.24 174.88 1lwm h ALA 27 N 0.71 1.98 0.11 1.44 0.00 -1.85 0.28 119.26 121.93 1lwm h ALA 27 Ca -0.40 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.23 1lwm h ALA 27 Cb 1.28 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1lwm h ALA 27 CO 0.48 -0.63 -1.20 -0.92 0.00 0.00 0.00 179.25 176.97 1lwm h TYR 28 N 0.00 0.71 -0.12 0.00 3.20 -1.93 -2.64 116.97 116.19 1lwm h TYR 28 Ca 0.16 -0.47 -0.09 0.00 3.14 0.00 0.00 58.73 61.47 1lwm h TYR 28 Cb 1.08 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1lwm h TYR 28 CO 0.00 1.33 -0.34 0.52 -1.64 0.00 0.00 178.16 178.04 1lwm h MET 29 N 0.17 0.24 0.25 1.82 2.86 -0.84 0.27 114.93 119.71 1lwm h MET 29 Ca -0.15 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 1lwm h MET 29 Cb 1.89 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.54 1lwm h MET 29 CO 0.21 0.56 -0.12 0.74 1.06 0.00 0.00 176.91 179.36 1lwm h PHE 30 N 0.21 -0.31 0.00 -0.22 0.04 -1.44 0.12 116.94 115.34 1lwm h PHE 30 Ca 0.03 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1lwm h PHE 30 Cb 0.71 0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.96 1lwm h PHE 30 CO 0.01 -0.00 0.00 0.35 -0.60 0.00 0.00 178.31 178.07 1lwm h PHE 31 N -0.99 0.00 0.00 -0.55 3.04 -1.49 -1.99 116.94 114.97 1lwm h PHE 31 Ca -0.03 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.64 1lwm h PHE 31 Cb 0.45 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.91 1lwm h PHE 31 CO 0.05 0.00 -1.60 0.00 -2.02 0.00 0.00 178.31 174.74 1lwm h ALA 32 N 2.02 0.70 -0.04 2.41 0.00 -0.46 -2.13 119.26 121.76 1lwm h ALA 32 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 54.91 53.41 1lwm h ALA 32 Cb 0.26 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1lwm h ALA 32 CO 0.00 1.53 -0.55 -0.91 0.00 0.00 0.00 179.25 179.32 1lwm h ASN 33 N 0.00 0.12 0.06 0.00 -0.26 -0.02 0.86 115.58 116.34 1lwm h ASN 33 Ca -0.24 -0.06 -0.30 0.00 -0.56 0.00 0.00 56.30 55.14 1lwm h ASN 33 Cb 1.98 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 39.18 1lwm h ASN 33 CO 0.09 0.64 -1.60 -0.33 -1.06 0.00 0.00 177.43 175.17 1lwm h GLU 34 N 0.08 0.13 0.00 0.81 4.39 -1.58 -3.35 114.58 115.07 1lwm h GLU 34 Ca -0.00 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 1lwm h GLU 34 Cb 0.99 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1lwm h GLU 34 CO 0.08 1.11 -0.22 -0.91 -1.16 0.00 0.00 179.01 177.91 1lwm h ASN 35 N -0.49 0.00 0.58 1.42 -0.26 -1.45 -1.98 115.58 113.40 1lwm h ASN 35 Ca -0.38 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.33 1lwm h ASN 35 Cb 1.65 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.91 1lwm h ASN 35 CO -0.07 0.22 -0.15 -0.09 -1.06 0.00 0.00 177.43 176.28 1lwm h ARG 36 N 0.00 0.00 0.01 0.81 2.43 -0.97 -1.79 114.38 114.87 1lwm h ARG 36 Ca -0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.87 1lwm h ARG 36 Cb 0.58 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 1lwm h ARG 36 CO 0.03 0.15 -1.71 -0.44 -1.51 0.00 0.00 179.97 176.49 1lwm h ASP 37 N 0.00 0.03 -0.42 -3.80 3.32 -1.51 -1.78 116.42 112.27 1lwm h ASP 37 Ca -0.00 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1lwm h ASP 37 Cb 0.48 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1lwm h ASP 37 CO 0.02 1.07 -0.05 0.40 -1.72 0.00 0.00 179.24 178.95 1lwm h ILE 38 N 0.01 1.27 0.20 0.35 2.04 -1.07 0.39 117.51 120.69 1lwm h ILE 38 Ca -0.29 -1.13 -0.31 0.00 1.00 0.00 0.00 64.86 64.14 1lwm h ILE 38 Cb 2.01 1.14 0.02 0.00 -0.74 0.00 0.00 36.82 39.25 1lwm h ILE 38 CO 0.08 0.38 -1.41 0.58 0.00 0.00 0.00 178.15 177.78 1lwm h VAL 39 N 0.61 1.21 0.00 1.67 2.07 -1.48 -2.64 116.25 117.69 1lwm h VAL 39 Ca 0.11 -2.59 -0.02 0.00 0.82 0.00 0.00 66.70 65.03 1lwm h VAL 39 Cb 0.57 2.97 -0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1lwm h VAL 39 CO 0.03 0.79 -0.07 -0.09 0.02 0.00 0.00 177.57 178.25 1lwm h ARG 40 N -0.02 0.00 0.21 1.57 2.43 -1.34 0.20 114.38 117.44 1lwm h ARG 40 Ca -0.26 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.59 1lwm h ARG 40 Cb 2.01 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 31.58 1lwm h ARG 40 CO 0.20 0.07 -1.44 0.66 -1.51 0.00 0.00 179.97 177.95 1lwm h SER 41 N 0.00 0.71 1.22 -3.80 4.64 -0.26 -2.35 113.55 113.72 1lwm h SER 41 Ca -0.00 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 1lwm h SER 41 Cb 0.39 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1lwm h SER 41 CO 0.01 1.68 0.00 -0.62 -0.87 0.00 0.00 176.83 177.03 1lwm n GLU 42 N -3.77 0.16 -3.19 4.77 1.02 -0.99 -3.99 120.64 114.66 1lwm n GLU 42 Ca -0.19 0.16 -0.19 0.00 -0.02 0.00 0.00 57.16 56.92 1lwm n GLU 42 Cb 1.04 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 30.73 1lwm n GLU 42 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1lwm n ASN 43 N -1.97 0.80 0.32 1.62 3.02 0.66 -4.94 115.26 114.76 1lwm n ASN 43 Ca 0.06 -2.97 0.12 0.00 -0.03 0.00 0.00 54.58 51.76 1lwm n ASN 43 Cb 0.37 -0.62 0.63 0.00 -0.61 0.00 0.00 39.78 39.55 1lwm n ASN 43 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1lwm h PRO 44 N 3.15 0.00 0.11 3.52 0.11 -1.55 0.29 132.00 137.63 1lwm h PRO 44 Ca 0.10 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.88 1lwm h PRO 44 Cb 0.95 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1lwm h PRO 44 CO 0.50 0.00 -1.74 0.22 -0.21 0.00 0.00 178.00 176.77 1lwm h ASP 45 N 0.00 0.35 -2.09 -2.05 3.58 -1.92 -3.48 116.42 110.81 1lwm h ASP 45 Ca 0.01 -0.62 -0.48 0.00 0.42 0.00 0.00 57.03 56.36 1lwm h ASP 45 Cb 1.01 -0.11 0.24 0.00 1.72 0.00 0.00 39.33 42.19 1lwm h ASP 45 CO -0.00 1.54 -1.53 0.00 -2.88 0.00 0.00 179.24 176.37 1lwm n ILE 46 N -3.40 0.00 -4.74 2.25 3.06 0.10 -5.03 119.36 111.61 1lwm n ILE 46 Ca -0.22 -0.22 -0.32 0.00 -2.50 0.00 0.00 62.75 59.48 1lwm n ILE 46 Cb 1.05 -0.39 -0.08 0.00 0.54 0.00 0.00 39.64 40.76 1lwm n ILE 46 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1lwm s THR 47 N -2.17 1.22 0.05 9.51 -4.23 -1.26 -5.02 115.64 113.74 1lwm s THR 47 Ca 0.49 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.33 1lwm s THR 47 Cb -0.08 -2.26 0.38 0.00 1.34 0.00 0.00 72.50 71.89 1lwm s THR 47 CO 0.68 0.00 1.97 0.15 -0.54 0.00 0.00 174.62 176.87 1lwm h PHE 48 N 1.41 0.00 0.00 3.99 3.04 -1.97 -1.28 116.94 122.14 1lwm h PHE 48 Ca -0.44 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.51 1lwm h PHE 48 Cb 1.31 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.82 1lwm h PHE 48 CO 1.44 0.00 0.00 0.78 -2.02 0.00 0.00 178.31 178.51 1lwm h GLY 49 N 1.99 0.00 0.00 2.40 0.00 -2.00 -2.32 103.07 103.14 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 -0.80 -1.06 0.00 0.00 0.00 176.54 174.68 1lwm n GLN 50 N -2.40 2.50 0.08 4.80 3.00 -1.03 -4.52 117.38 119.82 1lwm n GLN 50 Ca -0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1lwm n GLN 50 Cb 0.13 -0.90 -0.09 0.00 0.00 0.00 0.00 30.24 29.39 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 0.98 -0.25 5.09 2.07 -1.16 -0.43 116.25 122.55 1lwm h VAL 51 Ca 0.00 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 1lwm h VAL 51 Cb 0.52 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1lwm h VAL 51 CO 0.00 0.17 -0.11 1.23 0.02 0.00 0.00 177.57 178.88 1lwm h GLY 52 N -0.57 0.44 2.00 2.17 0.00 -1.68 -1.83 103.07 103.60 1lwm h GLY 52 Ca -0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1lwm h GLY 52 CO 0.04 0.26 -0.23 0.50 0.00 0.00 0.00 176.54 177.11 1lwm h LYS 53 N 0.38 0.00 -0.01 4.80 1.57 -1.72 -1.76 116.57 119.84 1lwm h LYS 53 Ca 0.08 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.60 1lwm h LYS 53 Cb 0.43 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.75 1lwm h LYS 53 CO 0.02 0.23 -1.01 0.87 -0.57 0.00 0.00 179.45 178.99 1lwm h LYS 54 N 0.00 0.65 0.00 3.15 1.79 -0.26 -2.08 116.57 119.83 1lwm h LYS 54 Ca -0.00 -0.69 -0.07 0.00 -2.18 0.00 0.00 60.65 57.71 1lwm h LYS 54 Cb 0.83 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 1lwm h LYS 54 CO 0.03 1.28 -0.34 -0.07 -1.08 0.00 0.00 179.45 179.27 1lwm h LEU 55 N 0.37 0.00 -0.05 2.94 3.38 -1.29 -1.78 115.31 118.90 1lwm h LEU 55 Ca -0.12 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.61 1lwm h LEU 55 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1lwm h LEU 55 CO 0.19 0.34 -1.08 1.23 0.09 0.00 0.00 178.44 179.22 1lwm h GLY 56 N 2.51 0.39 1.81 0.83 0.00 -1.26 -1.54 103.07 105.81 1lwm h GLY 56 Ca -0.00 -0.81 -0.22 0.00 0.00 0.00 0.00 47.33 46.30 1lwm h GLY 56 CO 0.04 0.71 -1.02 0.83 0.00 0.00 0.00 176.54 177.10 1lwm h GLU 57 N 0.16 0.16 -0.01 4.80 4.39 -1.31 -1.17 114.58 121.59 1lwm h GLU 57 Ca -0.11 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.29 1lwm h GLU 57 Cb 1.75 0.08 0.01 0.00 -0.10 0.00 0.00 28.75 30.48 1lwm h GLU 57 CO 0.18 1.04 -0.30 0.87 -1.16 0.00 0.00 179.01 179.65 1lwm h LYS 58 N 0.06 0.23 -0.10 2.33 1.79 -1.39 -2.32 116.57 117.17 1lwm h LYS 58 Ca -0.06 -0.22 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 1lwm h LYS 58 Cb 1.72 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 32.43 1lwm h LYS 58 CO 0.15 0.93 -0.05 2.35 -1.08 0.00 0.00 179.45 181.75 1lwm h TRP 59 N -0.39 0.24 -0.89 -1.35 2.91 -1.38 0.46 115.95 115.55 1lwm h TRP 59 Ca -0.03 -0.06 0.08 0.00 1.13 0.00 0.00 58.89 60.01 1lwm h TRP 59 Cb 1.02 -0.06 -0.07 0.00 -0.51 0.00 0.00 29.16 29.54 1lwm h TRP 59 CO 0.16 0.56 0.54 1.57 -1.03 0.00 0.00 178.44 180.25 1lwm h LYS 60 N -0.14 0.92 -0.01 2.65 2.10 -1.32 0.10 116.57 120.87 1lwm h LYS 60 Ca 0.02 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1lwm h LYS 60 Cb 0.49 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1lwm h LYS 60 CO 0.01 0.61 -0.22 0.00 -2.00 0.00 0.00 179.45 177.86 1lwm n ALA 61 N -2.36 2.98 -1.91 0.07 0.00 -0.87 -4.89 120.51 113.52 1lwm n ALA 61 Ca 0.14 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 1lwm n ALA 61 Cb 0.23 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.54 4.38 0.25 0.00 0.05 0.16 -4.92 118.68 116.06 1lwm s LEU 62 Ca 0.25 2.62 -0.30 0.00 0.05 0.00 0.00 54.13 56.75 1lwm s LEU 62 Cb 0.19 -3.61 -0.14 0.00 -2.05 0.00 0.00 46.19 40.58 1lwm s LEU 62 CO 0.52 -0.72 1.14 1.07 -0.55 0.00 0.00 176.35 177.81 1lwm n THR 63 N 2.81 1.49 0.32 5.48 5.66 -1.26 -4.74 114.28 124.04 1lwm n THR 63 Ca 0.09 -0.37 0.17 0.00 -3.05 0.00 0.00 64.05 60.88 1lwm n THR 63 Cb 0.40 -1.07 0.88 0.00 -1.55 0.00 0.00 70.33 68.99 1lwm n THR 63 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1lwm h PRO 64 N 2.82 0.00 -0.49 1.09 0.11 -1.95 -1.50 132.00 132.08 1lwm h PRO 64 Ca -0.42 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.72 1lwm h PRO 64 Cb 1.33 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 1lwm h PRO 64 CO 0.66 0.00 0.27 0.93 -0.21 0.00 0.00 178.00 179.65 1lwm h GLU 65 N 0.00 0.51 0.08 1.05 5.08 -2.00 0.29 114.58 119.59 1lwm h GLU 65 Ca 0.02 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.06 1lwm h GLU 65 Cb 0.58 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1lwm h GLU 65 CO -0.00 0.34 -1.42 0.93 -1.00 0.00 0.00 179.01 177.86 1lwm h GLU 66 N 0.53 0.17 0.00 2.33 4.39 -1.64 -3.26 114.58 117.10 1lwm h GLU 66 Ca 0.21 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1lwm h GLU 66 Cb 0.08 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1lwm h GLU 66 CO -0.13 1.02 0.00 -0.22 -1.16 0.00 0.00 179.01 178.52 1lwm h LYS 67 N 0.05 0.00 0.55 2.33 3.11 -1.18 -2.67 116.57 118.76 1lwm h LYS 67 Ca -0.19 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.62 1lwm h LYS 67 Cb 1.96 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 33.20 1lwm h LYS 67 CO 0.15 0.00 -0.26 1.96 -2.81 0.00 0.00 179.45 178.48 1lwm h GLN 68 N 0.00 -0.71 -0.63 1.90 4.20 -0.46 -1.71 115.11 117.70 1lwm h GLN 68 Ca 0.00 0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1lwm h GLN 68 Cb 0.33 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1lwm h GLN 68 CO 0.00 -0.43 0.14 -1.00 -0.67 0.00 0.00 178.83 176.86 1lwm h PRO 69 N -1.13 1.00 0.28 1.46 0.13 -1.70 -2.21 132.00 129.82 1lwm h PRO 69 Ca -0.08 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 1lwm h PRO 69 Cb 0.61 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1lwm h PRO 69 CO 0.12 0.90 -0.13 1.88 -0.23 0.00 0.00 178.00 180.54 1lwm h TYR 70 N 0.95 -0.35 -0.99 1.56 0.05 -1.55 -1.49 116.97 115.16 1lwm h TYR 70 Ca 0.20 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 59.04 1lwm h TYR 70 Cb 0.36 0.12 -0.07 0.00 1.01 0.00 0.00 36.73 38.15 1lwm h TYR 70 CO 0.02 -0.20 0.63 1.49 -1.05 0.00 0.00 178.16 179.06 1lwm h GLU 71 N -0.40 1.11 -0.22 4.88 4.81 -1.24 -0.27 114.58 123.25 1lwm h GLU 71 Ca -0.04 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1lwm h GLU 71 Cb 0.30 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1lwm h GLU 71 CO 0.06 0.74 0.06 0.00 -0.73 0.00 0.00 179.01 179.14 1lwm h ALA 72 N 1.45 1.69 -0.22 2.92 0.00 -1.06 -1.47 119.26 122.59 1lwm h ALA 72 Ca 0.43 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 1lwm h ALA 72 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1lwm h ALA 72 CO -0.18 0.24 -0.51 -0.22 0.00 0.00 0.00 179.25 178.58 1lwm h LYS 73 N 0.31 0.61 0.00 0.00 3.64 -0.01 -2.11 116.57 119.02 1lwm h LYS 73 Ca 0.08 -0.37 -0.08 0.00 -1.27 0.00 0.00 60.65 59.01 1lwm h LYS 73 Cb 0.11 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1lwm h LYS 73 CO -0.00 0.98 -0.40 0.00 -2.27 0.00 0.00 179.45 177.75 1lwm h ALA 74 N 0.95 1.26 -0.03 5.00 0.00 -0.60 -1.47 119.26 124.37 1lwm h ALA 74 Ca 0.02 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 1lwm h ALA 74 Cb 1.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1lwm h ALA 74 CO 0.10 0.51 -0.81 0.37 0.00 0.00 0.00 179.25 179.42 1lwm h GLN 75 N 0.00 0.28 -0.10 0.00 5.75 -1.07 0.13 115.11 120.11 1lwm h GLN 75 Ca -0.00 -0.27 -0.16 0.00 -0.15 0.00 0.00 58.65 58.07 1lwm h GLN 75 Cb 0.75 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 1lwm h GLN 75 CO 0.05 0.95 -0.62 0.00 -2.65 0.00 0.00 178.83 176.56 1lwm h ALA 76 N 0.97 0.76 0.00 3.38 0.00 -1.02 -1.98 119.26 121.37 1lwm h ALA 76 Ca -0.04 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 1lwm h ALA 76 Cb 1.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1lwm h ALA 76 CO 0.13 0.73 -0.68 -0.44 0.00 0.00 0.00 179.25 178.99 1lwm h ASP 77 N 0.25 0.00 0.72 0.00 3.32 -1.23 -2.66 116.42 116.82 1lwm h ASP 77 Ca -0.01 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1lwm h ASP 77 Cb 1.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1lwm h ASP 77 CO 0.10 0.45 -0.63 0.50 -1.72 0.00 0.00 179.24 177.94 1lwm h LYS 78 N 0.00 0.00 0.00 3.56 3.64 -0.57 -2.16 116.57 121.04 1lwm h LYS 78 Ca -0.04 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.17 1lwm h LYS 78 Cb 1.38 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.17 1lwm h LYS 78 CO 0.05 0.63 -1.03 0.87 -2.27 0.00 0.00 179.45 177.71 1lwm h LYS 79 N 0.00 0.00 -0.15 1.90 6.56 -1.37 -2.28 116.57 121.23 1lwm h LYS 79 Ca -0.01 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.38 1lwm h LYS 79 Cb 1.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1lwm h LYS 79 CO 0.08 0.57 -0.72 -0.09 -2.06 0.00 0.00 179.45 177.23 1lwm h ARG 80 N 0.00 0.65 0.18 3.15 2.43 -1.35 0.21 114.38 119.65 1lwm h ARG 80 Ca -0.08 -0.51 -0.30 0.00 -0.81 0.00 0.00 59.98 58.28 1lwm h ARG 80 Cb 1.62 0.10 0.02 0.00 -0.42 0.00 0.00 29.97 31.29 1lwm h ARG 80 CO 0.08 1.13 -1.34 -0.92 -1.51 0.00 0.00 179.97 177.40 1lwm h TYR 81 N 0.46 0.74 0.00 2.20 3.20 -1.48 -2.72 116.97 119.36 1lwm h TYR 81 Ca -0.03 -0.53 -0.03 0.00 3.14 0.00 0.00 58.73 61.27 1lwm h TYR 81 Cb 1.32 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.55 1lwm h TYR 81 CO 0.07 1.41 -0.16 1.05 -1.64 0.00 0.00 178.16 178.88 1lwm h GLU 82 N 0.12 0.00 0.03 1.82 -0.00 -1.45 -2.48 114.58 112.62 1lwm h GLU 82 Ca -0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.07 1lwm h GLU 82 Cb 2.05 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.81 1lwm h GLU 82 CO 0.24 0.16 -0.41 0.77 -0.00 0.00 0.00 179.01 179.77 1lwm h SER 83 N 0.00 0.30 -0.50 3.06 0.02 -0.62 -1.87 113.55 113.93 1lwm h SER 83 Ca -0.00 -0.85 -0.10 0.00 -0.84 0.00 0.00 61.79 60.00 1lwm h SER 83 Cb 1.05 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1lwm h SER 83 CO 0.02 1.12 -0.07 -0.33 -1.14 0.00 0.00 176.83 176.43 1lwm h GLU 84 N -0.48 0.94 -0.59 3.45 5.08 -1.54 -2.12 114.58 119.33 1lwm h GLU 84 Ca -0.06 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.86 1lwm h GLU 84 Cb 1.21 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1lwm h GLU 84 CO 0.08 0.99 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.82 1lwm h LYS 85 N 0.80 1.07 -0.79 2.33 3.11 -1.55 -2.18 116.57 119.36 1lwm h LYS 85 Ca 0.13 -0.36 -0.03 0.00 -2.81 0.00 0.00 60.65 57.58 1lwm h LYS 85 Cb 0.62 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.73 1lwm h LYS 85 CO 0.04 1.07 0.38 1.49 -2.81 0.00 0.00 179.45 179.62 1lwm h GLU 86 N 0.96 1.13 -0.64 1.90 4.81 -1.21 -2.39 114.58 119.14 1lwm h GLU 86 Ca 0.16 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1lwm h GLU 86 Cb 0.62 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1lwm h GLU 86 CO 0.04 0.87 0.05 -0.07 -0.73 0.00 0.00 179.01 179.18 1lwm h LEU 87 N 1.11 1.07 0.04 1.64 -0.00 -1.22 -1.81 115.31 116.15 1lwm h LEU 87 Ca 0.27 -0.28 0.01 0.00 -0.00 0.00 0.00 57.88 57.88 1lwm h LEU 87 Cb 0.11 -0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 40.47 1lwm h LEU 87 CO -0.03 1.08 -0.09 0.22 -0.00 0.00 0.00 178.44 179.62 1lwm h TYR 88 N 1.02 -0.24 -0.74 1.13 3.20 -1.03 0.40 116.97 120.72 1lwm h TYR 88 Ca 0.19 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1lwm h TYR 88 Cb 0.50 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1lwm h TYR 88 CO 0.04 -0.14 0.34 -2.95 -1.64 0.00 0.00 178.16 173.80 1lwm h ASN 89 N -0.18 0.96 0.71 -2.11 -1.07 -1.37 -1.62 115.58 110.91 1lwm h ASN 89 Ca 0.02 -0.12 -0.04 0.00 0.07 0.00 0.00 56.30 56.24 1lwm h ASN 89 Cb 0.20 -0.25 -0.01 0.00 -2.07 0.00 0.00 38.32 36.20 1lwm h ASN 89 CO -0.06 0.82 -0.18 0.00 0.07 0.00 0.00 177.43 178.09 1lwm h ALA 90 N 1.32 1.11 0.03 4.14 0.00 -0.90 -1.95 119.26 123.01 1lwm h ALA 90 Ca 0.25 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1lwm h ALA 90 Cb 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1lwm h ALA 90 CO -0.03 0.22 -0.26 1.79 0.00 0.00 0.00 179.25 180.96 1lwm h THR 91 N 0.00 1.64 -0.13 0.00 1.35 -0.02 -3.30 112.91 112.46 1lwm h THR 91 Ca -0.00 -2.24 -0.06 0.00 -0.55 0.00 0.00 66.41 63.57 1lwm h THR 91 Cb 0.58 3.13 -0.01 0.00 -1.73 0.00 0.00 68.15 70.11 1lwm h THR 91 CO 0.02 0.60 -0.17 -0.07 -0.25 0.00 0.00 175.52 175.65 1lwm h LEU 92 N -0.69 0.21 -1.61 3.87 -0.00 -1.30 -3.51 115.31 112.28 1lwm h LEU 92 Ca -0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1lwm h LEU 92 Cb 1.14 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1lwm h LEU 92 CO 0.05 0.40 0.00 0.00 -0.00 0.00 0.00 178.44 178.89