#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lwm s VAL 2 N 0.00 3.35 -0.24 3.17 1.01 -1.26 -4.08 120.40 122.35 1lwm s VAL 2 Ca 0.00 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.29 1lwm s VAL 2 Cb 0.00 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1lwm s VAL 2 CO 0.00 -0.30 0.09 0.41 0.00 0.00 0.00 175.10 175.30 1lwm n THR 3 N 7.50-11.52 0.15 3.92 -1.04 -1.26 -4.78 114.28 107.25 1lwm n THR 3 Ca 0.25 2.08 0.19 0.00 -2.04 0.00 0.00 64.05 64.52 1lwm n THR 3 Cb 0.46 -6.45 0.73 0.00 -1.82 0.00 0.00 70.33 63.25 1lwm n THR 3 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1lwm h PRO 4 N 3.56 0.00 -5.86 -2.82 0.11 -2.11 -3.37 132.00 121.50 1lwm h PRO 4 Ca -0.21 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.28 1lwm h PRO 4 Cb 0.53 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.52 1lwm h PRO 4 CO 0.06 0.00 0.48 0.50 -0.21 0.00 0.00 178.00 178.83 1lwm s ARG 5 N -4.44 3.39 -0.46 1.05 6.06 -1.26 -4.99 118.95 118.29 1lwm s ARG 5 Ca -0.04 -0.15 0.02 0.00 -2.50 0.00 0.00 55.73 53.06 1lwm s ARG 5 Cb 0.13 -3.99 0.12 0.00 0.06 0.00 0.00 34.95 31.27 1lwm s ARG 5 CO 0.45 -1.30 0.21 -2.00 -2.50 0.00 0.00 175.30 170.16 1lwm s GLU 6 N 3.64 1.91 -0.75 5.12 2.56 -1.26 -5.05 118.70 124.88 1lwm s GLU 6 Ca 0.31 -2.27 -0.25 0.00 0.00 0.00 0.00 54.97 52.75 1lwm s GLU 6 Cb -0.12 -3.38 -0.16 0.00 2.00 0.00 0.00 34.13 32.47 1lwm s GLU 6 CO 0.22 -1.06 2.47 -2.30 -0.56 0.00 0.00 175.26 174.02 1lwm n PRO 7 N 3.72 0.53 -3.88 4.30 -0.02 -1.26 -3.11 135.00 135.28 1lwm n PRO 7 Ca 0.04 -0.16 -0.33 0.00 -2.02 0.00 0.00 63.50 61.04 1lwm n PRO 7 Cb 0.37 -2.64 0.01 0.00 -0.02 0.00 0.00 33.50 31.22 1lwm n PRO 7 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1lwm n LYS 8 N 8.40 -0.70 -4.18 -0.52 5.02 -1.26 -0.19 118.16 124.73 1lwm n LYS 8 Ca 0.51 0.22 -0.38 0.00 -2.02 0.00 0.00 58.31 56.64 1lwm n LYS 8 Cb 0.33 -1.90 -0.04 0.00 -0.02 0.00 0.00 35.03 33.40 1lwm n LYS 8 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1lwm n LYS 9 N -3.64 -0.73 -2.49 1.97 5.02 -1.18 -3.78 118.16 113.33 1lwm n LYS 9 Ca -0.17 0.10 -0.03 0.00 -2.02 0.00 0.00 58.31 56.20 1lwm n LYS 9 Cb 0.52 -3.14 -0.02 0.00 -0.02 0.00 0.00 35.03 32.37 1lwm n LYS 9 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1lwm n ARG 10 N -4.80 -4.50 -3.27 1.97 5.12 0.74 -4.94 116.66 106.98 1lwm n ARG 10 Ca -0.22 3.33 -0.28 0.00 -1.93 0.00 0.00 57.85 58.74 1lwm n ARG 10 Cb 0.63 -4.47 -0.06 0.00 -1.16 0.00 0.00 32.46 27.40 1lwm n ARG 10 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1lwm n THR 11 N 1.85 2.82 -4.18 0.55 5.66 -1.10 -5.06 114.28 114.82 1lwm n THR 11 Ca -0.19 -5.37 -0.30 0.00 -3.05 0.00 0.00 64.05 55.13 1lwm n THR 11 Cb 0.29 -1.93 -0.09 0.00 -1.55 0.00 0.00 70.33 67.05 1lwm n THR 11 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1lwm s THR 12 N -2.98 3.88 -0.17 1.09 -1.32 -1.26 -5.06 115.64 109.83 1lwm s THR 12 Ca 0.41 -0.99 -0.13 0.00 -1.21 0.00 0.00 61.69 59.77 1lwm s THR 12 Cb 0.17 -2.82 -0.07 0.00 -1.51 0.00 0.00 72.50 68.27 1lwm s THR 12 CO -0.03 0.16 -0.14 0.54 -2.21 0.00 0.00 174.62 172.93 1lwm n ARG 13 N 0.74 0.49 -3.90 7.08 1.74 -1.26 -4.82 116.66 116.72 1lwm n ARG 13 Ca -0.12 0.48 -0.30 0.00 -0.77 0.00 0.00 57.85 57.14 1lwm n ARG 13 Cb 0.52 -1.65 -0.14 0.00 -1.02 0.00 0.00 32.46 30.17 1lwm n ARG 13 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1lwm s LYS 14 N -2.38 1.66 -0.05 5.56 2.47 -1.26 -4.97 119.74 120.76 1lwm s LYS 14 Ca -0.21 -2.26 -0.15 0.00 -1.56 0.00 0.00 55.97 51.80 1lwm s LYS 14 Cb 0.04 -3.01 -0.10 0.00 -1.46 0.00 0.00 37.83 33.30 1lwm s LYS 14 CO 0.33 -1.08 0.61 -0.22 0.16 0.00 0.00 175.35 175.15 1lwm h LYS 15 N 6.86 -0.35 -6.54 4.03 3.64 -2.03 -3.44 116.57 118.75 1lwm h LYS 15 Ca -0.06 0.02 -0.53 0.00 -1.27 0.00 0.00 60.65 58.81 1lwm h LYS 15 Cb 0.93 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1lwm h LYS 15 CO 0.60 -0.11 0.49 0.15 -2.27 0.00 0.00 179.45 178.31 1lwm s LYS 16 N -3.06 4.52 0.07 1.90 1.02 -1.26 -5.04 119.74 117.89 1lwm s LYS 16 Ca -0.08 1.68 -0.01 0.00 0.02 0.00 0.00 55.97 57.58 1lwm s LYS 16 Cb 0.01 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1lwm s LYS 16 CO 0.28 -0.08 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.11 1lwm s ASP 17 N 0.59 0.48 1.13 2.83 1.11 -1.26 -5.17 116.67 116.37 1lwm s ASP 17 Ca 0.54 -1.06 -0.10 0.00 0.18 0.00 0.00 52.55 52.11 1lwm s ASP 17 Cb -0.28 0.22 0.15 0.00 1.07 0.00 0.00 42.92 44.09 1lwm s ASP 17 CO 0.31 -0.63 0.54 -0.81 1.18 0.00 0.00 175.17 175.76 1lwm n PRO 18 N 0.05 -2.13 -3.09 8.23 -0.04 -1.26 -4.56 135.00 132.19 1lwm n PRO 18 Ca -0.12 -0.86 -0.30 0.00 -0.04 0.00 0.00 63.50 62.18 1lwm n PRO 18 Cb 0.62 -0.82 0.03 0.00 -0.04 0.00 0.00 33.50 33.29 1lwm n PRO 18 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1lwm n ASN 19 N -3.95 -4.74 -3.77 3.54 5.03 -1.26 -4.98 115.26 105.13 1lwm n ASN 19 Ca 0.07 -0.09 -0.13 0.00 0.87 0.00 0.00 54.58 55.31 1lwm n ASN 19 Cb 0.29 -1.35 -0.13 0.00 -1.02 0.00 0.00 39.78 37.57 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1lwm s ALA 20 N -1.18 -0.38 0.74 5.41 0.00 -1.26 -4.79 121.76 120.29 1lwm s ALA 20 Ca 0.29 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 1lwm s ALA 20 Cb -0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1lwm s ALA 20 CO 0.66 -0.13 0.65 -2.30 0.00 0.00 0.00 175.76 174.64 1lwm n PRO 21 N 3.70 0.31 -0.14 0.00 -0.02 -1.26 -4.95 135.00 132.64 1lwm n PRO 21 Ca -0.20 0.15 0.08 0.00 -2.02 0.00 0.00 63.50 61.50 1lwm n PRO 21 Cb 0.55 -1.95 0.11 0.00 -0.02 0.00 0.00 33.50 32.19 1lwm n PRO 21 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1lwm n LYS 22 N -1.16 1.15 -2.13 -0.52 0.00 -1.26 -5.06 118.16 109.18 1lwm n LYS 22 Ca 0.11 -2.25 -0.01 0.00 0.00 0.00 0.00 58.31 56.16 1lwm n LYS 22 Cb 0.50 -1.30 -0.01 0.00 0.00 0.00 0.00 35.03 34.22 1lwm n LYS 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1lwm n ARG 23 N -1.14 -4.05 -0.67 1.64 0.63 -1.26 -4.98 116.66 106.83 1lwm n ARG 23 Ca 0.12 3.06 -0.29 0.00 -0.92 0.00 0.00 57.85 59.82 1lwm n ARG 23 Cb 0.63 -3.94 0.25 0.00 0.45 0.00 0.00 32.46 29.84 1lwm n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1lwm s ALA 24 N -0.49 -0.25 0.04 5.13 0.00 -1.26 -5.02 121.76 119.91 1lwm s ALA 24 Ca -0.05 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.47 1lwm s ALA 24 Cb 0.00 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 1lwm s ALA 24 CO 0.13 -3.88 -0.09 -0.51 0.00 0.00 0.00 175.76 171.41 1lwm s LEU 25 N -7.24 2.20 0.48 0.00 1.02 -1.26 -5.04 118.68 108.84 1lwm s LEU 25 Ca 0.68 -0.46 0.00 0.00 0.02 0.00 0.00 54.13 54.37 1lwm s LEU 25 Cb -0.19 -0.27 0.01 0.00 0.02 0.00 0.00 46.19 45.75 1lwm s LEU 25 CO 0.61 -0.11 0.70 -0.44 0.02 0.00 0.00 176.35 177.13 1lwm s SER 26 N -1.28 5.70 0.55 2.29 0.01 -1.26 -4.51 113.70 115.20 1lwm s SER 26 Ca -0.06 0.24 0.30 0.00 1.31 0.00 0.00 55.95 57.75 1lwm s SER 26 Cb -0.08 -1.40 1.46 0.00 0.21 0.00 0.00 66.02 66.21 1lwm s SER 26 CO 0.01 -0.81 1.90 0.00 0.41 0.00 0.00 173.24 174.74 1lwm h ALA 27 N 0.30 2.60 0.04 1.44 0.00 -1.85 0.31 119.26 122.09 1lwm h ALA 27 Ca -0.45 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 1lwm h ALA 27 Cb 1.26 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1lwm h ALA 27 CO 0.56 -0.94 -1.00 -0.92 0.00 0.00 0.00 179.25 176.95 1lwm h TYR 28 N 0.00 0.44 -0.24 0.00 3.20 -1.93 -2.72 116.97 115.73 1lwm h TYR 28 Ca 0.34 -0.27 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 1lwm h TYR 28 Cb 1.48 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.70 1lwm h TYR 28 CO 0.00 1.12 -0.26 0.52 -1.64 0.00 0.00 178.16 177.90 1lwm h MET 29 N 0.13 0.46 0.22 1.82 2.86 -0.76 0.27 114.93 119.93 1lwm h MET 29 Ca -0.08 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 1lwm h MET 29 Cb 1.67 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.30 1lwm h MET 29 CO 0.16 0.68 -0.10 0.74 1.06 0.00 0.00 176.91 179.45 1lwm h PHE 30 N 0.40 -0.27 0.00 -0.22 0.04 -1.44 0.14 116.94 115.59 1lwm h PHE 30 Ca 0.06 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 1lwm h PHE 30 Cb 0.67 0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.91 1lwm h PHE 30 CO 0.02 0.09 -0.01 0.35 -0.60 0.00 0.00 178.31 178.16 1lwm h PHE 31 N -0.94 0.00 0.00 -0.55 3.04 -1.50 -2.07 116.94 114.92 1lwm h PHE 31 Ca -0.03 0.00 -0.27 0.00 3.98 0.00 0.00 57.97 61.65 1lwm h PHE 31 Cb 0.48 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.94 1lwm h PHE 31 CO 0.06 0.01 -1.61 0.00 -2.02 0.00 0.00 178.31 174.75 1lwm h ALA 32 N 1.99 0.72 -0.00 2.41 0.00 -0.45 -2.22 119.26 121.72 1lwm h ALA 32 Ca -0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 54.91 53.42 1lwm h ALA 32 Cb 0.27 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1lwm h ALA 32 CO 0.00 1.51 -0.60 -0.91 0.00 0.00 0.00 179.25 179.25 1lwm h ASN 33 N 0.00 0.01 0.05 0.00 -0.26 -0.05 0.21 115.58 115.54 1lwm h ASN 33 Ca -0.25 -0.01 -0.31 0.00 -0.56 0.00 0.00 56.30 55.18 1lwm h ASN 33 Cb 1.96 -0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 39.18 1lwm h ASN 33 CO 0.08 0.61 -1.72 -0.62 -1.06 0.00 0.00 177.43 174.72 1lwm n GLU 34 N -3.83 0.65 0.20 0.81 4.71 -0.92 -4.06 120.64 118.20 1lwm n GLU 34 Ca -0.01 0.40 0.05 0.00 -0.01 0.00 0.00 57.16 57.59 1lwm n GLU 34 Cb 0.60 -1.70 0.41 0.00 -1.01 0.00 0.00 31.44 29.74 1lwm n GLU 34 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1lwm h ASN 35 N -0.51 0.00 0.33 1.62 2.35 -1.48 -2.21 115.58 115.68 1lwm h ASN 35 Ca -0.42 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.30 1lwm h ASN 35 Cb 1.66 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.03 1lwm h ASN 35 CO -0.10 0.34 -0.14 -0.09 -1.65 0.00 0.00 177.43 175.79 1lwm h ARG 36 N 0.00 0.00 0.03 0.81 1.12 -1.11 -1.58 114.38 113.65 1lwm h ARG 36 Ca -0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 59.98 58.58 1lwm h ARG 36 Cb 0.67 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.59 1lwm h ARG 36 CO 0.04 0.14 -1.61 0.22 -3.11 0.00 0.00 179.97 175.65 1lwm h ASP 37 N 0.00 0.09 -0.62 -3.80 3.58 -1.56 -2.13 116.42 111.99 1lwm h ASP 37 Ca -0.00 -0.17 -0.09 0.00 0.42 0.00 0.00 57.03 57.19 1lwm h ASP 37 Cb 0.34 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 1lwm h ASP 37 CO 0.02 1.15 0.05 0.40 -2.88 0.00 0.00 179.24 177.98 1lwm h ILE 38 N 0.02 1.26 0.22 2.25 2.04 -1.00 0.23 117.51 122.53 1lwm h ILE 38 Ca -0.25 -1.09 -0.29 0.00 1.00 0.00 0.00 64.86 64.22 1lwm h ILE 38 Cb 1.98 0.75 0.03 0.00 -0.74 0.00 0.00 36.82 38.84 1lwm h ILE 38 CO 0.10 0.40 -1.29 0.58 0.00 0.00 0.00 178.15 177.94 1lwm h VAL 39 N 0.97 1.33 0.00 1.67 2.07 -1.44 -2.57 116.25 118.29 1lwm h VAL 39 Ca 0.18 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.05 1lwm h VAL 39 Cb 0.50 3.08 -0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1lwm h VAL 39 CO 0.02 0.78 -0.10 0.03 0.02 0.00 0.00 177.57 178.33 1lwm h ARG 40 N -0.03 0.00 0.19 1.57 3.08 -1.34 0.34 114.38 118.19 1lwm h ARG 40 Ca -0.23 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.49 1lwm h ARG 40 Cb 2.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 32.07 1lwm h ARG 40 CO 0.23 0.10 -1.55 1.03 -1.07 0.00 0.00 179.97 178.71 1lwm h SER 41 N 0.00 0.64 0.94 7.04 0.87 -0.57 -1.59 113.55 120.89 1lwm h SER 41 Ca -0.00 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 59.76 1lwm h SER 41 Cb 0.38 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1lwm h SER 41 CO 0.01 1.64 -0.19 -0.62 -0.53 0.00 0.00 176.83 177.15 1lwm n GLU 42 N -3.61 0.08 -2.75 2.24 1.02 -0.96 -4.50 120.64 112.16 1lwm n GLU 42 Ca -0.18 0.05 -0.05 0.00 -0.02 0.00 0.00 57.16 56.96 1lwm n GLU 42 Cb 1.08 -1.57 0.02 0.00 -0.02 0.00 0.00 31.44 30.95 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 -1.70 -3.07 0.00 1.62 6.94 0.11 -4.99 115.26 114.18 1lwm n ASN 43 Ca 0.06 -2.78 0.08 0.00 -0.02 0.00 0.00 54.58 51.93 1lwm n ASN 43 Cb 0.36 1.64 0.37 0.00 -2.36 0.00 0.00 39.78 39.80 1lwm n ASN 43 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1lwm n PRO 44 N 2.56 0.06 -0.03 -0.53 -0.04 -0.60 -2.91 135.00 133.52 1lwm n PRO 44 Ca 0.15 0.19 -0.10 0.00 -0.04 0.00 0.00 63.50 63.70 1lwm n PRO 44 Cb 0.59 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.70 -3.81 3.54 5.19 -1.93 -3.44 116.42 116.67 1lwm h ASP 45 Ca 0.00 -0.34 -0.49 0.00 -0.62 0.00 0.00 57.03 55.58 1lwm h ASP 45 Cb 0.25 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1lwm h ASP 45 CO 0.00 1.06 0.37 0.27 -3.12 0.00 0.00 179.24 177.82 1lwm s ILE 46 N -4.17 3.99 0.22 0.35 -4.36 -1.15 -5.06 121.20 111.02 1lwm s ILE 46 Ca -0.08 1.87 -0.02 0.00 -0.26 0.00 0.00 60.65 62.16 1lwm s ILE 46 Cb 0.12 -4.14 0.05 0.00 1.25 0.00 0.00 42.46 39.74 1lwm s ILE 46 CO 0.84 0.34 0.30 0.35 0.24 0.00 0.00 174.94 177.02 1lwm n THR 47 N 1.08 0.00 0.28 8.37 -2.24 -1.26 -4.82 114.28 115.69 1lwm n THR 47 Ca -0.00 -0.37 0.13 0.00 -2.27 0.00 0.00 64.05 61.54 1lwm n THR 47 Cb 0.48 -1.46 0.61 0.00 -2.10 0.00 0.00 70.33 67.86 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 -0.70 0.00 0.00 4.78 3.04 -1.97 -1.65 116.94 120.45 1lwm h PHE 48 Ca -0.10 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.85 1lwm h PHE 48 Cb 0.32 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1lwm h PHE 48 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 178.31 176.70 1lwm n GLY 49 N -0.63 -1.00 0.00 2.40 0.00 -1.26 -1.95 105.19 102.75 1lwm n GLY 49 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1lwm n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lwm n GLN 50 N -1.76 1.98 -0.01 1.61 3.00 -0.78 -4.57 117.38 116.85 1lwm n GLN 50 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 1lwm n GLN 50 Cb 0.15 -0.83 -0.08 0.00 0.00 0.00 0.00 30.24 29.48 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 1.28 -0.13 5.09 2.07 -1.34 -1.15 116.25 122.06 1lwm h VAL 51 Ca 0.00 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 1lwm h VAL 51 Cb 0.65 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1lwm h VAL 51 CO 0.00 0.23 -0.15 1.23 0.02 0.00 0.00 177.57 178.89 1lwm h GLY 52 N -0.27 0.22 2.00 2.17 0.00 -1.64 -1.64 103.07 103.92 1lwm h GLY 52 Ca 0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1lwm h GLY 52 CO 0.00 0.13 -0.30 0.50 0.00 0.00 0.00 176.54 176.87 1lwm h LYS 53 N 0.20 0.00 -0.02 4.80 1.57 -1.69 -1.58 116.57 119.84 1lwm h LYS 53 Ca 0.04 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.56 1lwm h LYS 53 Cb 0.39 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.72 1lwm h LYS 53 CO 0.02 0.30 -0.99 0.87 -0.57 0.00 0.00 179.45 179.08 1lwm h LYS 54 N 0.00 0.69 0.00 3.15 1.79 -0.28 -2.07 116.57 119.85 1lwm h LYS 54 Ca -0.00 -0.71 -0.07 0.00 -2.18 0.00 0.00 60.65 57.69 1lwm h LYS 54 Cb 0.92 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.76 1lwm h LYS 54 CO 0.04 1.30 -0.32 -0.07 -1.08 0.00 0.00 179.45 179.32 1lwm h LEU 55 N 0.40 0.00 -0.05 2.94 3.38 -1.32 -2.00 115.31 118.67 1lwm h LEU 55 Ca -0.11 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.61 1lwm h LEU 55 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1lwm h LEU 55 CO 0.19 0.32 -1.08 1.23 0.09 0.00 0.00 178.44 179.20 1lwm h GLY 56 N 2.67 0.39 1.76 0.83 0.00 -1.23 -1.42 103.07 106.07 1lwm h GLY 56 Ca -0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 47.33 46.30 1lwm h GLY 56 CO 0.04 0.70 -1.05 0.83 0.00 0.00 0.00 176.54 177.06 1lwm h GLU 57 N 0.16 0.19 -0.03 4.80 5.08 -1.33 -1.56 114.58 121.89 1lwm h GLU 57 Ca -0.10 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 57.86 1lwm h GLU 57 Cb 1.75 0.10 0.01 0.00 0.50 0.00 0.00 28.75 31.10 1lwm h GLU 57 CO 0.18 1.08 -0.45 -0.22 -1.00 0.00 0.00 179.01 178.59 1lwm h LYS 58 N 0.08 0.35 -0.24 2.33 3.64 -1.43 -2.35 116.57 118.95 1lwm h LYS 58 Ca -0.07 -0.35 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 1lwm h LYS 58 Cb 1.76 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.66 1lwm h LYS 58 CO 0.16 1.02 -0.03 2.35 -2.27 0.00 0.00 179.45 180.68 1lwm h TRP 59 N -0.18 0.50 -0.87 1.91 2.91 -1.35 0.53 115.95 119.39 1lwm h TRP 59 Ca -0.05 -0.10 0.04 0.00 1.13 0.00 0.00 58.89 59.91 1lwm h TRP 59 Cb 1.16 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 29.63 1lwm h TRP 59 CO 0.15 0.64 0.57 1.57 -1.03 0.00 0.00 178.44 180.34 1lwm h LYS 60 N 0.21 1.05 -0.01 2.65 5.09 -1.37 0.23 116.57 124.41 1lwm h LYS 60 Ca 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1lwm h LYS 60 Cb 0.46 -0.24 0.00 0.00 0.10 0.00 0.00 32.23 32.56 1lwm h LYS 60 CO 0.02 0.69 -0.16 0.00 -2.09 0.00 0.00 179.45 177.91 1lwm n ALA 61 N -2.40 2.88 -2.19 0.07 0.00 -0.88 -4.86 120.51 113.12 1lwm n ALA 61 Ca 0.11 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 1lwm n ALA 61 Cb 0.11 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.29 3.76 0.14 0.00 0.05 0.18 -4.92 118.68 115.60 1lwm s LEU 62 Ca 0.30 1.34 -0.22 0.00 0.05 0.00 0.00 54.13 55.59 1lwm s LEU 62 Cb 0.20 -3.53 -0.13 0.00 -2.05 0.00 0.00 46.19 40.67 1lwm s LEU 62 CO 0.44 -1.34 0.43 0.41 -0.55 0.00 0.00 176.35 175.74 1lwm n THR 63 N 6.69 1.38 0.32 5.48 -1.04 -1.26 -4.62 114.28 121.22 1lwm n THR 63 Ca 0.18 -0.34 0.21 0.00 -2.04 0.00 0.00 64.05 62.06 1lwm n THR 63 Cb 0.46 0.00 1.08 0.00 -1.82 0.00 0.00 70.33 70.05 1lwm n THR 63 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1lwm h PRO 64 N 0.89 0.00 -0.09 -2.82 0.13 -1.94 -1.70 132.00 126.47 1lwm h PRO 64 Ca -0.23 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.80 1lwm h PRO 64 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1lwm h PRO 64 CO 0.44 0.00 -0.39 0.93 -0.23 0.00 0.00 178.00 178.75 1lwm h GLU 65 N 0.00 0.18 0.00 0.86 5.08 -2.01 -0.94 114.58 117.75 1lwm h GLU 65 Ca 0.00 -0.08 -0.28 0.00 -1.00 0.00 0.00 59.36 58.00 1lwm h GLU 65 Cb 0.14 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1lwm h GLU 65 CO 0.00 0.55 -1.59 0.93 -1.00 0.00 0.00 179.01 177.89 1lwm h GLU 66 N 0.15 0.01 0.00 2.33 5.08 -1.64 -3.32 114.58 117.18 1lwm h GLU 66 Ca 0.02 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1lwm h GLU 66 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1lwm h GLU 66 CO 0.06 0.59 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.25 1lwm h LYS 67 N 0.00 0.00 -0.90 2.33 3.64 -1.30 -3.33 116.57 117.01 1lwm h LYS 67 Ca -0.24 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1lwm h LYS 67 Cb 1.97 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.68 1lwm h LYS 67 CO 0.09 0.19 -0.48 1.04 -2.27 0.00 0.00 179.45 178.02 1lwm n GLN 68 N -3.26 -0.34 -0.02 1.90 3.00 -0.37 0.24 117.38 118.54 1lwm n GLN 68 Ca 0.01 1.36 -0.02 0.00 -0.01 0.00 0.00 57.00 58.34 1lwm n GLN 68 Cb 0.47 -2.01 0.23 0.00 0.00 0.00 0.00 30.24 28.93 1lwm n GLN 68 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1lwm h PRO 69 N 0.00 0.56 0.27 -1.09 0.13 -1.83 -2.36 132.00 127.69 1lwm h PRO 69 Ca 0.19 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1lwm h PRO 69 Cb 0.42 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.49 1lwm h PRO 69 CO -0.86 0.66 -0.15 1.88 -0.23 0.00 0.00 178.00 179.30 1lwm h TYR 70 N 0.52 -0.41 -0.80 1.56 0.05 -0.37 0.17 116.97 117.69 1lwm h TYR 70 Ca 0.10 -0.01 0.13 0.00 0.05 0.00 0.00 58.73 59.00 1lwm h TYR 70 Cb 0.50 0.14 -0.09 0.00 1.01 0.00 0.00 36.73 38.29 1lwm h TYR 70 CO 0.02 -0.24 0.39 1.49 -1.05 0.00 0.00 178.16 178.77 1lwm h GLU 71 N -0.40 0.57 -0.47 4.88 4.81 -1.23 0.16 114.58 122.89 1lwm h GLU 71 Ca -0.04 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1lwm h GLU 71 Cb 0.31 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1lwm h GLU 71 CO 0.05 0.37 0.32 0.00 -0.73 0.00 0.00 179.01 179.02 1lwm h ALA 72 N 1.53 1.91 -0.19 2.92 0.00 -1.31 -0.45 119.26 123.67 1lwm h ALA 72 Ca 0.43 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 1lwm h ALA 72 Cb 0.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1lwm h ALA 72 CO -0.35 0.01 -0.52 -0.22 0.00 0.00 0.00 179.25 178.17 1lwm h LYS 73 N 0.42 0.53 0.00 0.00 1.63 0.14 -2.19 116.57 117.10 1lwm h LYS 73 Ca 0.20 -0.32 -0.07 0.00 -0.85 0.00 0.00 60.65 59.61 1lwm h LYS 73 Cb 0.27 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1lwm h LYS 73 CO -0.05 0.92 -0.35 0.00 -3.45 0.00 0.00 179.45 176.52 1lwm h ALA 74 N 1.02 1.27 -0.01 5.00 0.00 -0.39 -1.10 119.26 125.05 1lwm h ALA 74 Ca 0.01 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.38 1lwm h ALA 74 Cb 1.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1lwm h ALA 74 CO 0.10 0.44 -0.91 0.37 0.00 0.00 0.00 179.25 179.25 1lwm h GLN 75 N 0.00 0.41 -0.08 0.00 5.75 -1.04 0.22 115.11 120.37 1lwm h GLN 75 Ca -0.00 -0.43 -0.14 0.00 -0.15 0.00 0.00 58.65 57.93 1lwm h GLN 75 Cb 0.68 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 1lwm h GLN 75 CO 0.05 1.09 -0.56 0.00 -2.65 0.00 0.00 178.83 176.76 1lwm h ALA 76 N 0.76 0.90 0.00 3.38 0.00 -1.05 -2.17 119.26 121.08 1lwm h ALA 76 Ca -0.07 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 1lwm h ALA 76 Cb 1.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1lwm h ALA 76 CO 0.16 0.70 -0.73 0.22 0.00 0.00 0.00 179.25 179.59 1lwm h ASP 77 N 0.19 0.00 0.61 0.00 1.82 -1.18 -2.95 116.42 114.92 1lwm h ASP 77 Ca 0.00 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.50 1lwm h ASP 77 Cb 1.04 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.03 1lwm h ASP 77 CO 0.09 0.22 -0.66 0.50 -1.61 0.00 0.00 179.24 177.78 1lwm h LYS 78 N 0.00 0.04 0.00 0.28 3.64 -0.34 -2.01 116.57 118.18 1lwm h LYS 78 Ca -0.03 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.14 1lwm h LYS 78 Cb 1.20 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 1lwm h LYS 78 CO 0.02 0.68 -0.98 0.87 -2.27 0.00 0.00 179.45 177.77 1lwm h LYS 79 N 0.03 0.00 -0.10 1.90 1.57 -1.45 -2.35 116.57 116.16 1lwm h LYS 79 Ca -0.01 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 1lwm h LYS 79 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1lwm h LYS 79 CO 0.09 0.62 -0.76 -0.09 -0.57 0.00 0.00 179.45 178.74 1lwm h ARG 80 N 0.00 0.55 0.15 3.15 2.43 -1.39 0.17 114.38 119.45 1lwm h ARG 80 Ca -0.07 -0.45 -0.30 0.00 -0.81 0.00 0.00 59.98 58.35 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 1.08 -1.29 -0.92 -1.51 0.00 0.00 179.97 177.41 1lwm h TYR 81 N 0.37 0.86 0.00 2.20 3.20 -1.45 -2.63 116.97 119.52 1lwm h TYR 81 Ca -0.04 -0.58 -0.05 0.00 3.14 0.00 0.00 58.73 61.20 1lwm h TYR 81 Cb 1.36 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.56 1lwm h TYR 81 CO 0.06 1.43 -0.26 0.93 -1.64 0.00 0.00 178.16 178.68 1lwm h GLU 82 N 0.19 0.00 0.00 1.82 4.39 -1.46 -2.53 114.58 116.99 1lwm h GLU 82 Ca -0.19 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.38 1lwm h GLU 82 Cb 1.98 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.64 1lwm h GLU 82 CO 0.24 0.26 -0.53 1.03 -1.16 0.00 0.00 179.01 178.85 1lwm h SER 83 N 0.00 0.46 -0.49 1.42 0.87 -0.68 -2.03 113.55 113.10 1lwm h SER 83 Ca -0.00 -0.77 -0.09 0.00 -1.23 0.00 0.00 61.79 59.69 1lwm h SER 83 Cb 1.08 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 1lwm h SER 83 CO 0.03 1.17 -0.05 -0.33 -0.53 0.00 0.00 176.83 177.13 1lwm h GLU 84 N -0.21 0.90 -0.67 2.24 5.08 -1.51 -2.17 114.58 118.24 1lwm h GLU 84 Ca -0.07 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 1lwm h GLU 84 Cb 1.26 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1lwm h GLU 84 CO 0.10 0.95 0.16 -0.22 -1.00 0.00 0.00 179.01 179.01 1lwm h LYS 85 N 0.75 1.08 -0.83 2.33 1.63 -1.53 -2.04 116.57 117.95 1lwm h LYS 85 Ca 0.13 -0.26 -0.03 0.00 -0.85 0.00 0.00 60.65 59.64 1lwm h LYS 85 Cb 0.58 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.03 1lwm h LYS 85 CO 0.03 0.97 0.40 1.49 -3.45 0.00 0.00 179.45 178.89 1lwm h GLU 86 N 1.01 1.20 -0.61 1.90 4.81 -1.22 -1.93 114.58 119.73 1lwm h GLU 86 Ca 0.21 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1lwm h GLU 86 Cb 0.37 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1lwm h GLU 86 CO 0.00 0.92 0.04 -0.07 -0.73 0.00 0.00 179.01 179.17 1lwm h LEU 87 N 1.18 1.03 0.19 1.64 -0.00 -1.11 -1.02 115.31 117.22 1lwm h LEU 87 Ca 0.29 -0.29 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1lwm h LEU 87 Cb 0.12 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 1lwm h LEU 87 CO -0.04 1.06 -0.09 0.22 -0.00 0.00 0.00 178.44 179.60 1lwm h TYR 88 N 0.96 -0.24 0.00 1.13 3.20 -1.01 0.32 116.97 121.33 1lwm h TYR 88 Ca 0.18 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1lwm h TYR 88 Cb 0.51 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1lwm h TYR 88 CO 0.04 -0.09 -0.14 -0.97 -1.64 0.00 0.00 178.16 175.36 1lwm h ASN 89 N -0.33 0.00 1.24 -2.11 -1.24 -1.32 -1.13 115.58 110.69 1lwm h ASN 89 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1lwm h ASN 89 Cb 0.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.31 1lwm h ASN 89 CO 0.04 0.14 -0.54 0.00 -1.29 0.00 0.00 177.43 175.78 1lwm h ALA 90 N 1.86 0.70 0.00 1.57 0.00 -0.70 -2.02 119.26 120.67 1lwm h ALA 90 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1lwm h ALA 90 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1lwm h ALA 90 CO 0.02 0.00 -1.30 2.41 0.00 0.00 0.00 179.25 180.37 1lwm n THR 91 N -2.55 0.97 -0.06 0.00 -1.04 0.11 -4.28 114.28 107.42 1lwm n THR 91 Ca 0.03 -0.64 -0.19 0.00 -2.04 0.00 0.00 64.05 61.21 1lwm n THR 91 Cb 0.50 -0.58 -0.13 0.00 -1.82 0.00 0.00 70.33 68.29 1lwm n THR 91 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1lwm n LEU 92 N -2.80 2.56 0.00 -4.42 4.77 -0.53 -5.08 117.00 111.51 1lwm n LEU 92 Ca -0.07 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1lwm n LEU 92 Cb 0.74 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1lwm n LEU 92 CO 0.42 0.85 0.00 0.00 -1.33 0.00 0.00 177.39 177.33