#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 -1.21 -1.19 2.03 3.14 -1.26 -4.52 118.33 115.32 1lwm n VAL 2 Ca 0.00 -0.44 -0.45 0.00 -2.96 0.00 0.00 64.34 60.49 1lwm n VAL 2 Cb 0.00 -1.12 -0.12 0.00 -1.06 0.00 0.00 33.84 31.55 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 -4.13 0.00 -2.05 1.55 -2.24 -1.26 -4.74 114.28 101.41 1lwm n THR 3 Ca -0.23 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 1lwm n THR 3 Cb 0.56 -0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 68.30 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 6.43 2.56 0.00 -0.78 0.04 -1.26 -4.78 135.00 137.21 1lwm s PRO 4 Ca 1.11 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1lwm s PRO 4 Cb -1.22 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 28.28 1lwm s PRO 4 CO 0.51 -3.35 0.00 2.89 0.04 0.00 0.00 177.00 177.09 1lwm n ARG 5 N 8.87 0.00 0.12 4.56 1.85 -1.26 -5.07 116.66 125.73 1lwm n ARG 5 Ca 0.39 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 57.19 1lwm n ARG 5 Cb 0.47 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.86 1lwm n ARG 5 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1lwm h GLU 6 N 0.00 -0.32 0.00 2.89 5.08 -2.03 -3.45 114.58 116.76 1lwm h GLU 6 Ca 0.00 0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 58.07 1lwm h GLU 6 Cb 0.00 0.07 0.16 0.00 0.50 0.00 0.00 28.75 29.48 1lwm h GLU 6 CO 0.00 -0.21 0.09 -0.35 -1.00 0.00 0.00 179.01 177.54 1lwm n PRO 7 N -2.98 -2.74 0.00 2.33 -0.04 -1.26 -5.03 135.00 125.28 1lwm n PRO 7 Ca -0.04 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1lwm n PRO 7 Cb 0.13 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1lwm n PRO 7 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1lwm n LYS 8 N -4.17 0.00 -2.51 0.54 4.81 -1.26 -5.08 118.16 110.48 1lwm n LYS 8 Ca 0.12 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.14 1lwm n LYS 8 Cb 0.47 -0.16 -0.03 0.00 0.02 0.00 0.00 35.03 35.32 1lwm n LYS 8 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1lwm s LYS 9 N -1.39 4.50 -1.19 1.64 1.02 -1.26 -4.96 119.74 118.10 1lwm s LYS 9 Ca 0.00 1.67 -0.06 0.00 0.02 0.00 0.00 55.97 57.60 1lwm s LYS 9 Cb 0.00 -3.36 0.23 0.00 -0.52 0.00 0.00 37.83 34.18 1lwm s LYS 9 CO 0.00 -0.12 1.82 0.54 -0.92 0.00 0.00 175.35 176.66 1lwm n ARG 10 N 3.54 4.28 -4.26 1.68 1.74 -1.26 -4.74 116.66 117.63 1lwm n ARG 10 Ca 0.07 -4.00 -0.34 0.00 -0.77 0.00 0.00 57.85 52.81 1lwm n ARG 10 Cb 0.47 -2.69 -0.07 0.00 -1.02 0.00 0.00 32.46 29.15 1lwm n ARG 10 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1lwm n THR 11 N 2.00 -1.39 -1.33 0.55 -1.04 -1.26 -4.60 114.28 107.21 1lwm n THR 11 Ca 0.39 -0.52 -0.55 0.00 -2.04 0.00 0.00 64.05 61.33 1lwm n THR 11 Cb 0.32 -1.30 -0.09 0.00 -1.82 0.00 0.00 70.33 67.44 1lwm n THR 11 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1lwm n THR 12 N -4.68 0.00 -1.61 12.58 -1.04 -1.26 -4.69 114.28 113.58 1lwm n THR 12 Ca -0.29 0.00 -0.56 0.00 -2.04 0.00 0.00 64.05 61.17 1lwm n THR 12 Cb 0.67 -0.42 -0.07 0.00 -1.82 0.00 0.00 70.33 68.69 1lwm n THR 12 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1lwm n ARG 13 N 4.43 0.88 0.00 -2.82 1.74 -1.26 -4.50 116.66 115.13 1lwm n ARG 13 Ca 0.33 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 1lwm n ARG 13 Cb -0.04 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 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 3.11 0.00 0.00 5.56 0.00 -1.26 -5.03 118.16 120.54 1lwm n LYS 14 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.52 1lwm n LYS 14 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.17 1lwm n LYS 14 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1lwm n LYS 15 N -0.28 0.00 -1.61 1.64 5.02 -1.26 -4.75 118.16 116.91 1lwm n LYS 15 Ca 0.00 0.49 -0.57 0.00 -2.02 0.00 0.00 58.31 56.20 1lwm n LYS 15 Cb 0.00 -1.31 -0.07 0.00 -0.02 0.00 0.00 35.03 33.63 1lwm n LYS 15 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1lwm n LYS 16 N -1.97 0.66 -2.73 1.97 4.76 -1.26 -4.90 118.16 114.69 1lwm n LYS 16 Ca 0.00 0.24 -0.05 0.00 -2.87 0.00 0.00 58.31 55.63 1lwm n LYS 16 Cb 0.00 -1.83 0.03 0.00 -1.84 0.00 0.00 35.03 31.39 1lwm n LYS 16 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1lwm n ASP 17 N 3.06 -2.63 -3.11 4.39 9.92 -1.26 -5.14 116.55 121.78 1lwm n ASP 17 Ca 0.22 -2.44 0.00 0.00 -0.53 0.00 0.00 54.79 52.04 1lwm n ASP 17 Cb 0.11 1.43 0.00 0.00 -0.64 0.00 0.00 41.12 42.02 1lwm n ASP 17 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1lwm n PRO 18 N 2.38 0.62 -2.97 -0.24 -0.02 -1.26 -4.64 135.00 128.87 1lwm n PRO 18 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1lwm n PRO 18 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 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 -0.95 -6.73 -2.94 2.55 3.02 -1.26 -4.97 115.26 103.99 1lwm n ASN 19 Ca 0.00 0.65 -0.13 0.00 -0.03 0.00 0.00 54.58 55.07 1lwm n ASN 19 Cb 0.00 -1.46 0.03 0.00 -0.61 0.00 0.00 39.78 37.74 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lwm n ALA 20 N 1.87 1.02 -0.67 5.41 0.00 -1.26 -4.89 120.51 121.98 1lwm n ALA 20 Ca 0.00 -2.50 -0.32 0.00 0.00 0.00 0.00 53.44 50.62 1lwm n ALA 20 Cb 0.23 -1.02 0.17 0.00 0.00 0.00 0.00 19.45 18.83 1lwm n ALA 20 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1lwm n PRO 21 N 0.22 -1.50 0.00 0.00 -0.02 -1.26 -5.00 135.00 127.43 1lwm n PRO 21 Ca 0.14 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 1lwm n PRO 21 Cb 0.70 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 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 -2.20 0.00 -3.65 -0.52 4.81 -1.26 -5.01 118.16 110.33 1lwm n LYS 22 Ca 0.01 0.11 -0.02 0.00 -0.87 0.00 0.00 58.31 57.55 1lwm n LYS 22 Cb 0.61 -0.72 -0.05 0.00 0.02 0.00 0.00 35.03 34.89 1lwm n LYS 22 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1lwm s ARG 23 N -0.50 0.04 0.91 1.64 0.52 -1.26 -5.09 118.95 115.21 1lwm s ARG 23 Ca 0.00 0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 55.06 1lwm s ARG 23 Cb 0.00 0.02 -0.02 0.00 0.52 0.00 0.00 34.95 35.47 1lwm s ARG 23 CO 0.00 -0.01 -0.52 0.00 0.02 0.00 0.00 175.30 174.79 1lwm n ALA 24 N 0.68 -2.00 -2.91 2.13 0.00 -1.26 -5.01 120.51 112.14 1lwm n ALA 24 Ca -0.01 -0.99 -0.11 0.00 0.00 0.00 0.00 53.44 52.32 1lwm n ALA 24 Cb 0.59 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 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 4.57 0.68 0.34 0.00 1.43 -1.26 -5.03 118.68 119.41 1lwm s LEU 25 Ca 0.32 -1.19 0.06 0.00 -1.03 0.00 0.00 54.13 52.29 1lwm s LEU 25 Cb 0.01 1.42 -0.07 0.00 0.03 0.00 0.00 46.19 47.58 1lwm s LEU 25 CO 0.44 -1.14 -0.02 -0.44 0.23 0.00 0.00 176.35 175.43 1lwm s SER 26 N -3.11 3.12 0.59 2.29 0.01 -1.26 -4.36 113.70 110.98 1lwm s SER 26 Ca 0.28 -1.29 0.29 0.00 1.31 0.00 0.00 55.95 56.54 1lwm s SER 26 Cb 0.01 -0.24 1.47 0.00 0.21 0.00 0.00 66.02 67.47 1lwm s SER 26 CO 0.13 -0.42 1.88 0.00 0.41 0.00 0.00 173.24 175.25 1lwm h ALA 27 N 2.06 2.16 0.07 1.44 0.00 -1.85 0.28 119.26 123.41 1lwm h ALA 27 Ca -0.42 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 1lwm h ALA 27 Cb 1.24 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1lwm h ALA 27 CO 0.72 -0.72 -1.11 -0.92 0.00 0.00 0.00 179.25 177.22 1lwm h TYR 28 N 0.00 0.70 -0.24 0.00 3.20 -1.94 -2.65 116.97 116.04 1lwm h TYR 28 Ca 0.21 -0.43 -0.09 0.00 3.14 0.00 0.00 58.73 61.56 1lwm h TYR 28 Cb 1.19 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1lwm h TYR 28 CO 0.00 1.28 -0.24 1.98 -1.64 0.00 0.00 178.16 179.54 1lwm h MET 29 N 0.20 0.45 0.32 1.82 4.05 -0.85 0.31 114.93 121.23 1lwm h MET 29 Ca -0.13 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.11 1lwm h MET 29 Cb 1.78 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.56 1lwm h MET 29 CO 0.20 0.66 -0.15 0.74 0.23 0.00 0.00 176.91 178.59 1lwm h PHE 30 N 0.40 -0.40 0.00 1.39 0.04 -1.44 -0.04 116.94 116.89 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 0.64 0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.93 1lwm h PHE 30 CO 0.02 -0.09 0.00 0.35 -0.60 0.00 0.00 178.31 177.99 1lwm h PHE 31 N -1.00 0.00 0.08 -0.55 3.04 -1.48 -2.31 116.94 114.72 1lwm h PHE 31 Ca -0.04 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.61 1lwm h PHE 31 Cb 0.48 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 1lwm h PHE 31 CO 0.03 0.00 -1.55 0.00 -2.02 0.00 0.00 178.31 174.77 1lwm h ALA 32 N 2.04 0.41 0.00 2.41 0.00 -0.34 -1.35 119.26 122.42 1lwm h ALA 32 Ca 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 54.91 53.62 1lwm h ALA 32 Cb 0.28 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1lwm h ALA 32 CO 0.00 1.27 -0.48 -0.91 0.00 0.00 0.00 179.25 179.12 1lwm h ASN 33 N 0.05 0.00 0.08 0.00 -0.26 -0.46 -0.37 115.58 114.61 1lwm h ASN 33 Ca -0.24 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.16 1lwm h ASN 33 Cb 1.99 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 39.22 1lwm h ASN 33 CO 0.13 0.48 -1.90 1.21 -1.06 0.00 0.00 177.43 176.29 1lwm n GLU 34 N -3.75 0.70 0.17 0.81 4.07 -0.96 -3.98 120.64 117.70 1lwm n GLU 34 Ca -0.01 0.32 0.02 0.00 -0.06 0.00 0.00 57.16 57.43 1lwm n GLU 34 Cb 0.54 -1.69 0.30 0.00 -0.06 0.00 0.00 31.44 30.52 1lwm n GLU 34 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1lwm h ASN 35 N -0.21 0.00 0.91 4.31 -0.26 -1.29 -2.26 115.58 116.78 1lwm h ASN 35 Ca -0.43 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.30 1lwm h ASN 35 Cb 1.85 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 39.11 1lwm h ASN 35 CO -0.01 0.46 -0.04 0.08 -1.06 0.00 0.00 177.43 176.85 1lwm h ARG 36 N 0.00 0.00 0.05 0.81 0.11 -1.23 -2.37 114.38 111.75 1lwm h ARG 36 Ca -0.00 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.76 1lwm h ARG 36 Cb 0.83 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.87 1lwm h ARG 36 CO 0.06 0.04 -1.79 0.22 0.10 0.00 0.00 179.97 178.60 1lwm h ASP 37 N 0.00 0.17 -0.45 0.08 3.58 -1.56 -1.98 116.42 116.26 1lwm h ASP 37 Ca -0.00 -0.36 -0.03 0.00 0.42 0.00 0.00 57.03 57.05 1lwm h ASP 37 Cb 0.51 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 1lwm h ASP 37 CO 0.01 1.32 0.16 0.40 -2.88 0.00 0.00 179.24 178.25 1lwm h ILE 38 N 0.03 1.22 0.02 2.25 2.04 -1.16 0.11 117.51 122.02 1lwm h ILE 38 Ca -0.33 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 1lwm h ILE 38 Cb 2.02 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1lwm h ILE 38 CO 0.09 0.25 -0.24 0.58 0.00 0.00 0.00 178.15 178.83 1lwm h VAL 39 N 0.59 1.63 -0.53 1.67 2.07 -1.59 -2.61 116.25 117.49 1lwm h VAL 39 Ca 0.15 -2.16 0.15 0.00 0.82 0.00 0.00 66.70 65.66 1lwm h VAL 39 Cb 0.24 3.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 1lwm h VAL 39 CO -0.01 0.58 0.45 -0.09 0.02 0.00 0.00 177.57 178.53 1lwm h ARG 40 N -0.66 0.00 0.13 1.57 2.43 -1.34 0.83 114.38 117.34 1lwm h ARG 40 Ca -0.04 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.86 1lwm h ARG 40 Cb 1.09 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1lwm h ARG 40 CO 0.05 0.00 -1.23 0.66 -1.51 0.00 0.00 179.97 177.94 1lwm h SER 41 N 0.00 0.48 0.27 -3.80 4.64 -0.77 0.11 113.55 114.48 1lwm h SER 41 Ca 0.25 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1lwm h SER 41 Cb 1.15 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1lwm h SER 41 CO -0.00 1.38 -0.14 -0.62 -0.87 0.00 0.00 176.83 176.57 1lwm n GLU 42 N -3.58 0.84 -2.71 4.77 1.02 0.14 -4.44 120.64 116.68 1lwm n GLU 42 Ca -0.09 -0.37 -0.07 0.00 -0.02 0.00 0.00 57.16 56.61 1lwm n GLU 42 Cb 1.01 -1.49 0.08 0.00 -0.02 0.00 0.00 31.44 31.01 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 -0.76 -2.14 0.00 1.62 0.23 0.24 -4.99 115.26 109.47 1lwm n ASN 43 Ca 0.15 -2.83 0.08 0.00 -0.53 0.00 0.00 54.58 51.45 1lwm n ASN 43 Cb 0.30 1.50 0.47 0.00 -2.08 0.00 0.00 39.78 39.96 1lwm n ASN 43 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1lwm n PRO 44 N 1.13 0.43 0.12 -0.53 -0.04 0.37 -2.87 135.00 133.60 1lwm n PRO 44 Ca 0.04 0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 1lwm n PRO 44 Cb 0.68 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.17 -0.87 3.54 5.19 -1.94 -3.44 116.42 119.06 1lwm h ASP 45 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1lwm h ASP 45 Cb 0.05 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1lwm h ASP 45 CO 0.00 0.61 0.00 2.30 -3.12 0.00 0.00 179.24 179.03 1lwm n ILE 46 N -3.98 0.00 -4.25 0.35 -5.35 -1.14 -5.13 119.36 99.85 1lwm n ILE 46 Ca -0.02 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.30 1lwm n ILE 46 Cb 0.51 -1.80 -0.06 0.00 -1.74 0.00 0.00 39.64 36.55 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 -0.42 0.00 0.31 7.28 -2.24 -1.26 -5.02 114.28 112.93 1lwm n THR 47 Ca 0.00 -1.90 0.20 0.00 -2.27 0.00 0.00 64.05 60.08 1lwm n THR 47 Cb 0.00 0.90 0.99 0.00 -2.10 0.00 0.00 70.33 70.12 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 1.78 0.00 0.00 4.78 3.57 -1.98 -1.07 116.94 124.01 1lwm h PHE 48 Ca -0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1lwm h PHE 48 Cb 0.94 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1lwm h PHE 48 CO 0.00 0.02 0.00 0.78 -2.23 0.00 0.00 178.31 176.88 1lwm h GLY 49 N 0.69 0.00 0.00 2.40 0.00 -2.00 -1.75 103.07 102.42 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 -0.68 -1.06 0.00 0.00 0.00 176.54 174.80 1lwm n GLN 50 N -2.49 2.18 -0.03 4.80 3.00 -0.77 -4.52 117.38 119.56 1lwm n GLN 50 Ca -0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.82 1lwm n GLN 50 Cb 0.08 -0.84 -0.09 0.00 0.00 0.00 0.00 30.24 29.40 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 1.37 0.00 5.09 2.07 -1.07 -0.85 116.25 122.86 1lwm h VAL 51 Ca 0.00 -1.84 -0.14 0.00 0.82 0.00 0.00 66.70 65.54 1lwm h VAL 51 Cb 0.22 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1lwm h VAL 51 CO 0.00 0.55 -0.66 1.23 0.02 0.00 0.00 177.57 178.72 1lwm h GLY 52 N 0.13 0.00 1.73 2.17 0.00 -1.57 -2.02 103.07 103.51 1lwm h GLY 52 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 1lwm h GLY 52 CO 0.11 0.00 -0.71 0.50 0.00 0.00 0.00 176.54 176.44 1lwm h LYS 53 N 0.00 0.00 0.00 4.80 1.79 -1.71 -1.43 116.57 120.02 1lwm h LYS 53 Ca -0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1lwm h LYS 53 Cb 1.35 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.00 1lwm h LYS 53 CO 0.09 0.42 -0.05 -0.22 -1.08 0.00 0.00 179.45 178.60 1lwm h LYS 54 N 0.00 0.00 -0.28 3.15 3.64 -1.13 -2.43 116.57 119.53 1lwm h LYS 54 Ca -0.04 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1lwm h LYS 54 Cb 1.40 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 1lwm h LYS 54 CO 0.06 0.99 -0.25 1.37 -2.27 0.00 0.00 179.45 179.35 1lwm h LEU 55 N -1.00 0.55 -0.39 5.20 8.10 -1.49 -2.52 115.31 123.76 1lwm h LEU 55 Ca -0.01 -0.19 -0.05 0.00 0.11 0.00 0.00 57.88 57.73 1lwm h LEU 55 Cb 1.00 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 41.06 1lwm h LEU 55 CO -0.01 0.79 0.04 1.23 -4.11 0.00 0.00 178.44 176.38 1lwm h GLY 56 N 1.01 0.71 1.23 0.17 0.00 -1.36 -1.42 103.07 103.42 1lwm h GLY 56 Ca 0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1lwm h GLY 56 CO 0.05 0.46 0.43 1.05 0.00 0.00 0.00 176.54 178.53 1lwm h GLU 57 N 0.50 1.02 -0.16 4.80 4.11 -1.30 -1.15 114.58 122.39 1lwm h GLU 57 Ca 0.11 -0.10 -0.10 0.00 0.07 0.00 0.00 59.36 59.35 1lwm h GLU 57 Cb 0.41 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1lwm h GLU 57 CO 0.01 0.73 -0.33 0.87 0.07 0.00 0.00 179.01 180.36 1lwm h LYS 58 N 1.03 0.33 -0.33 1.06 1.57 -1.22 -2.63 116.57 116.38 1lwm h LYS 58 Ca 0.27 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1lwm h LYS 58 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1lwm h LYS 58 CO -0.05 0.63 -0.08 2.35 -0.57 0.00 0.00 179.45 181.73 1lwm h TRP 59 N 0.29 0.72 -0.89 -1.35 2.91 -0.18 0.54 115.95 117.98 1lwm h TRP 59 Ca 0.04 -0.15 0.04 0.00 1.13 0.00 0.00 58.89 59.94 1lwm h TRP 59 Cb 0.72 -0.18 -0.05 0.00 -0.51 0.00 0.00 29.16 29.15 1lwm h TRP 59 CO 0.02 0.81 0.59 0.87 -1.03 0.00 0.00 178.44 179.69 1lwm h LYS 60 N 0.43 1.08 -0.02 2.65 1.57 -1.07 -0.06 116.57 121.15 1lwm h LYS 60 Ca 0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1lwm h LYS 60 Cb 0.57 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1lwm h LYS 60 CO 0.03 0.71 -0.06 0.00 -0.57 0.00 0.00 179.45 179.56 1lwm n ALA 61 N -2.40 2.68 -2.35 3.86 0.00 -1.01 -4.90 120.51 116.39 1lwm n ALA 61 Ca 0.12 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1lwm n ALA 61 Cb 0.11 -1.06 -0.03 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 -2.10 4.32 -0.37 0.00 0.05 0.19 -4.85 118.68 115.92 1lwm s LEU 62 Ca 0.33 2.01 -0.30 0.00 0.05 0.00 0.00 54.13 56.22 1lwm s LEU 62 Cb 0.20 -3.57 -0.13 0.00 -2.05 0.00 0.00 46.19 40.64 1lwm s LEU 62 CO 0.37 -0.60 1.52 0.41 -0.55 0.00 0.00 176.35 177.49 1lwm n THR 63 N 4.39 0.00 0.26 5.48 -1.04 -1.26 -4.71 114.28 117.41 1lwm n THR 63 Ca 0.11 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.27 1lwm n THR 63 Cb 0.45 -0.35 0.80 0.00 -1.82 0.00 0.00 70.33 69.41 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 6.42 0.00 -0.38 -2.82 0.11 -1.91 -0.59 132.00 132.83 1lwm h PRO 64 Ca -0.07 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.91 1lwm h PRO 64 Cb 0.98 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1lwm h PRO 64 CO 0.77 0.00 -0.29 0.93 -0.21 0.00 0.00 178.00 179.21 1lwm h GLU 65 N 0.00 0.81 0.00 1.05 5.08 -2.01 -0.43 114.58 119.08 1lwm h GLU 65 Ca 0.00 -0.36 -0.10 0.00 -1.00 0.00 0.00 59.36 57.89 1lwm h GLU 65 Cb 0.30 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1lwm h GLU 65 CO 0.00 0.99 -0.92 1.05 -1.00 0.00 0.00 179.01 179.13 1lwm h GLU 66 N 0.69 0.00 0.00 2.33 -0.00 -1.47 -3.28 114.58 112.85 1lwm h GLU 66 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.41 1lwm h GLU 66 Cb 0.83 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.57 1lwm h GLU 66 CO 0.07 0.28 -0.14 -0.22 -0.00 0.00 0.00 179.01 179.00 1lwm h LYS 67 N 0.00 0.00 -0.59 1.06 3.64 -1.28 -3.35 116.57 116.05 1lwm h LYS 67 Ca -0.07 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1lwm h LYS 67 Cb 1.36 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 33.09 1lwm h LYS 67 CO 0.04 0.14 -0.54 1.96 -2.27 0.00 0.00 179.45 178.78 1lwm h GLN 68 N 0.00 -0.26 -0.86 1.90 4.20 -1.13 0.24 115.11 119.20 1lwm h GLN 68 Ca -0.00 0.02 0.19 0.00 0.06 0.00 0.00 58.65 58.92 1lwm h GLN 68 Cb 1.04 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.82 1lwm h GLN 68 CO 0.02 -0.17 0.57 -1.35 -0.67 0.00 0.00 178.83 177.23 1lwm h PRO 69 N -0.27 0.36 0.70 1.46 0.11 -1.80 -2.23 132.00 130.33 1lwm h PRO 69 Ca 0.12 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 1lwm h PRO 69 Cb 0.55 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.58 1lwm h PRO 69 CO -0.70 0.24 -0.34 1.88 -0.21 0.00 0.00 178.00 178.87 1lwm h TYR 70 N 0.37 -0.87 -0.91 0.65 0.05 -0.76 -1.57 116.97 113.94 1lwm h TYR 70 Ca 0.44 -0.02 0.18 0.00 0.05 0.00 0.00 58.73 59.37 1lwm h TYR 70 Cb 1.12 0.29 -0.10 0.00 1.01 0.00 0.00 36.73 39.04 1lwm h TYR 70 CO -0.00 -0.52 0.48 1.49 -1.05 0.00 0.00 178.16 178.56 1lwm h GLU 71 N -1.07 0.60 -0.36 4.88 4.81 -0.78 0.28 114.58 122.93 1lwm h GLU 71 Ca -0.10 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1lwm h GLU 71 Cb 0.75 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1lwm h GLU 71 CO 0.16 0.40 0.07 0.00 -0.73 0.00 0.00 179.01 178.91 1lwm h ALA 72 N 1.62 1.45 0.00 2.92 0.00 -1.28 -1.29 119.26 122.67 1lwm h ALA 72 Ca 0.52 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 1lwm h ALA 72 Cb 0.82 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1lwm h ALA 72 CO -0.40 0.40 -0.59 -0.22 0.00 0.00 0.00 179.25 178.44 1lwm h LYS 73 N 0.53 0.00 0.00 0.00 3.64 0.51 -2.37 116.57 118.88 1lwm h LYS 73 Ca 0.12 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 1lwm h LYS 73 Cb 0.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1lwm h LYS 73 CO -0.00 0.59 -0.50 0.00 -2.27 0.00 0.00 179.45 177.28 1lwm h ALA 74 N 1.41 0.81 0.09 5.00 0.00 -0.19 -1.30 119.26 125.07 1lwm h ALA 74 Ca -0.01 -0.45 -0.29 0.00 0.00 0.00 0.00 54.91 54.17 1lwm h ALA 74 Cb 1.13 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.87 1lwm h ALA 74 CO 0.08 0.62 -1.18 1.96 0.00 0.00 0.00 179.25 180.73 1lwm h GLN 75 N 0.00 0.61 -0.04 0.00 7.50 -1.07 0.37 115.11 122.48 1lwm h GLN 75 Ca -0.00 -0.77 -0.14 0.00 0.50 0.00 0.00 58.65 58.23 1lwm h GLN 75 Cb 1.18 0.25 -0.01 0.00 0.05 0.00 0.00 27.48 28.94 1lwm h GLN 75 CO 0.06 1.34 -0.63 0.00 -1.50 0.00 0.00 178.83 178.10 1lwm h ALA 76 N 0.36 0.86 0.00 3.87 0.00 -1.41 -2.30 119.26 120.65 1lwm h ALA 76 Ca -0.17 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 1lwm h ALA 76 Cb 1.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1lwm h ALA 76 CO 0.22 0.76 -0.83 -0.44 0.00 0.00 0.00 179.25 178.97 1lwm h ASP 77 N 0.11 0.00 0.68 0.00 5.19 -1.26 -2.78 116.42 118.36 1lwm h ASP 77 Ca -0.01 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.25 1lwm h ASP 77 Cb 1.14 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 1lwm h ASP 77 CO 0.09 0.16 -0.70 0.50 -3.12 0.00 0.00 179.24 176.17 1lwm h LYS 78 N 0.00 0.02 0.00 3.56 3.64 -0.08 -1.21 116.57 122.50 1lwm h LYS 78 Ca -0.03 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.10 1lwm h LYS 78 Cb 1.15 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1lwm h LYS 78 CO 0.02 0.71 -1.38 -0.22 -2.27 0.00 0.00 179.45 176.31 1lwm h LYS 79 N 0.01 0.00 0.00 1.90 3.64 -1.49 -2.03 116.57 118.61 1lwm h LYS 79 Ca -0.01 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1lwm h LYS 79 Cb 1.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1lwm h LYS 79 CO 0.09 0.59 -0.48 -0.09 -2.27 0.00 0.00 179.45 177.30 1lwm h ARG 80 N 0.00 0.00 0.04 1.90 2.43 -1.44 -0.92 114.38 116.39 1lwm h ARG 80 Ca -0.17 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.66 1lwm h ARG 80 Cb 1.82 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.33 1lwm h ARG 80 CO 0.09 0.48 -1.97 0.98 -1.51 0.00 0.00 179.97 178.03 1lwm n TYR 81 N -3.31 0.87 0.15 2.20 4.19 -0.46 -3.37 117.16 117.43 1lwm n TYR 81 Ca 0.01 0.25 0.04 0.00 3.31 0.00 0.00 57.90 61.51 1lwm n TYR 81 Cb 0.67 -1.14 0.06 0.00 0.49 0.00 0.00 39.34 39.42 1lwm n TYR 81 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1lwm h GLU 82 N 0.03 0.00 0.01 2.98 4.39 -1.43 -2.32 114.58 118.24 1lwm h GLU 82 Ca -0.40 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.30 1lwm h GLU 82 Cb 2.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.69 1lwm h GLU 82 CO 0.06 0.44 -0.01 1.03 -1.16 0.00 0.00 179.01 179.37 1lwm h SER 83 N 0.00 -0.02 -0.62 1.42 0.87 -1.32 -1.79 113.55 112.09 1lwm h SER 83 Ca -0.00 -0.74 -0.07 0.00 -1.23 0.00 0.00 61.79 59.74 1lwm h SER 83 Cb 1.32 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.26 1lwm h SER 83 CO 0.06 0.76 0.10 -0.33 -0.53 0.00 0.00 176.83 176.88 1lwm h GLU 84 N -0.81 1.03 -0.60 2.24 5.08 -1.65 -2.32 114.58 117.56 1lwm h GLU 84 Ca -0.00 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.00 1lwm h GLU 84 Cb 0.75 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1lwm h GLU 84 CO 0.00 0.96 0.06 -0.22 -1.00 0.00 0.00 179.01 178.82 1lwm h LYS 85 N 0.94 0.99 -0.47 2.33 3.64 -1.52 -2.21 116.57 120.28 1lwm h LYS 85 Ca 0.19 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1lwm h LYS 85 Cb 0.43 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1lwm h LYS 85 CO 0.01 0.93 0.26 0.93 -2.27 0.00 0.00 179.45 179.32 1lwm h GLU 86 N 0.92 0.66 -0.86 1.90 5.08 -1.07 -2.36 114.58 118.85 1lwm h GLU 86 Ca 0.18 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1lwm h GLU 86 Cb 0.45 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1lwm h GLU 86 CO 0.02 0.51 0.42 -0.07 -1.00 0.00 0.00 179.01 178.89 1lwm h LEU 87 N 0.62 1.11 0.17 1.33 4.07 -1.23 -2.06 115.31 119.32 1lwm h LEU 87 Ca 0.17 -0.13 0.01 0.00 0.08 0.00 0.00 57.88 58.01 1lwm h LEU 87 Cb 0.04 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.48 1lwm h LEU 87 CO -0.03 0.93 -0.20 0.22 -1.08 0.00 0.00 178.44 178.28 1lwm h TYR 88 N 1.22 -0.52 -0.65 1.13 3.20 -1.01 0.70 116.97 121.03 1lwm h TYR 88 Ca 0.30 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.20 1lwm h TYR 88 Cb 0.10 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 1lwm h TYR 88 CO 0.01 -0.30 0.43 -2.95 -1.64 0.00 0.00 178.16 173.72 1lwm h ASN 89 N -0.42 0.69 1.35 -2.11 -1.07 -1.28 0.13 115.58 112.87 1lwm h ASN 89 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1lwm h ASN 89 Cb 0.40 -0.16 0.00 0.00 -2.07 0.00 0.00 38.32 36.49 1lwm h ASN 89 CO -0.07 0.49 0.00 0.00 0.07 0.00 0.00 177.43 177.92 1lwm h ALA 90 N 1.61 1.00 0.00 4.14 0.00 -0.77 -2.37 119.26 122.87 1lwm h ALA 90 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1lwm h ALA 90 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1lwm h ALA 90 CO -0.07 0.00 -1.22 2.41 0.00 0.00 0.00 179.25 180.38 1lwm n THR 91 N -3.02 0.11 -0.07 0.00 -1.04 0.18 -4.48 114.28 105.96 1lwm n THR 91 Ca 0.02 -0.26 -0.08 0.00 -2.04 0.00 0.00 64.05 61.70 1lwm n THR 91 Cb 0.38 0.30 -0.04 0.00 -1.82 0.00 0.00 70.33 69.15 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 0.00 0.00 -4.42 5.85 -0.62 -3.50 115.31 112.61 1lwm h LEU 92 Ca 0.00 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1lwm h LEU 92 Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1lwm h LEU 92 CO 0.00 0.87 0.00 0.00 -0.34 0.00 0.00 178.44 178.97