#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 1.98 -0.07 1.12 -7.23 -1.26 -5.11 120.40 109.83 1lwm s VAL 2 Ca 0.00 -0.91 0.02 0.00 -1.81 0.00 0.00 61.98 59.28 1lwm s VAL 2 Cb 0.00 -1.78 0.01 0.00 0.56 0.00 0.00 36.38 35.18 1lwm s VAL 2 CO 0.00 0.53 -0.12 -0.89 -0.31 0.00 0.00 175.10 174.31 1lwm s THR 3 N 1.09 1.15 0.41 5.32 2.01 -1.26 -5.12 115.64 119.24 1lwm s THR 3 Ca -0.01 -0.47 -0.24 0.00 0.31 0.00 0.00 61.69 61.28 1lwm s THR 3 Cb -0.14 -1.06 -0.11 0.00 0.01 0.00 0.00 72.50 71.20 1lwm s THR 3 CO -0.07 0.36 0.95 -2.65 -0.69 0.00 0.00 174.62 172.52 1lwm n PRO 4 N 3.93 1.23 -4.09 4.92 -0.02 -1.26 -5.01 135.00 134.71 1lwm n PRO 4 Ca -0.22 0.44 -0.24 0.00 -2.02 0.00 0.00 63.50 61.47 1lwm n PRO 4 Cb 0.52 -1.96 -0.17 0.00 -0.02 0.00 0.00 33.50 31.87 1lwm n PRO 4 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1lwm s ARG 5 N -1.94 1.21 -0.41 -0.52 3.00 -1.26 -5.11 118.95 113.93 1lwm s ARG 5 Ca 0.63 -0.18 -0.05 0.00 -1.00 0.00 0.00 55.73 55.13 1lwm s ARG 5 Cb -0.57 -1.24 0.10 0.00 0.00 0.00 0.00 34.95 33.23 1lwm s ARG 5 CO 0.57 -0.16 0.21 -1.83 0.00 0.00 0.00 175.30 174.08 1lwm s GLU 6 N 1.33 2.25 -0.64 5.12 -1.05 -1.26 -5.05 118.70 119.40 1lwm s GLU 6 Ca -0.03 -1.66 -0.26 0.00 -0.15 0.00 0.00 54.97 52.86 1lwm s GLU 6 Cb -0.14 -3.62 -0.03 0.00 -0.44 0.00 0.00 34.13 29.90 1lwm s GLU 6 CO -0.03 -1.01 1.94 -1.25 0.95 0.00 0.00 175.26 175.86 1lwm s PRO 7 N 1.25 2.54 -0.05 -4.83 0.04 -1.26 -4.94 135.00 127.75 1lwm s PRO 7 Ca 0.05 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.37 1lwm s PRO 7 Cb -0.23 -4.50 -0.06 0.00 0.04 0.00 0.00 34.50 29.74 1lwm s PRO 7 CO -0.02 -2.91 1.79 0.15 0.04 0.00 0.00 177.00 176.06 1lwm s LYS 8 N 7.20 4.07 0.00 4.56 1.02 -1.26 -4.91 119.74 130.42 1lwm s LYS 8 Ca 0.71 2.28 0.00 0.00 0.02 0.00 0.00 55.97 58.98 1lwm s LYS 8 Cb -0.12 -4.08 0.00 0.00 -0.52 0.00 0.00 37.83 33.11 1lwm s LYS 8 CO 0.18 -1.01 0.00 1.17 -0.92 0.00 0.00 175.35 174.78 1lwm n LYS 9 N 7.43 0.00 -4.47 1.68 0.00 -1.26 -5.17 118.16 116.36 1lwm n LYS 9 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.27 1lwm n LYS 9 Cb 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.32 1lwm n LYS 9 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1lwm s ARG 10 N 0.00 1.19 0.99 1.64 0.52 -1.26 -5.12 118.95 116.91 1lwm s ARG 10 Ca 0.00 -0.93 -0.18 0.00 -0.52 0.00 0.00 55.73 54.10 1lwm s ARG 10 Cb 0.00 -1.30 -0.15 0.00 0.52 0.00 0.00 34.95 34.02 1lwm s ARG 10 CO 0.00 0.32 -0.86 -2.37 0.02 0.00 0.00 175.30 172.41 1lwm n THR 11 N 1.69 0.00 -2.12 0.02 5.66 -1.26 -4.84 114.28 113.43 1lwm n THR 11 Ca -0.18 -0.46 -0.38 0.00 -3.05 0.00 0.00 64.05 59.98 1lwm n THR 11 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 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 -1.99 2.80 0.43 1.09 -1.32 -1.26 -4.92 115.64 110.47 1lwm s THR 12 Ca 0.39 0.62 -0.21 0.00 -1.21 0.00 0.00 61.69 61.29 1lwm s THR 12 Cb -0.16 -3.33 -0.15 0.00 -1.51 0.00 0.00 72.50 67.35 1lwm s THR 12 CO 0.81 0.02 0.06 -1.14 -2.21 0.00 0.00 174.62 172.16 1lwm n ARG 13 N -0.46 0.02 -1.47 7.08 3.00 -1.26 -4.24 116.66 119.33 1lwm n ARG 13 Ca 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1lwm n ARG 13 Cb 0.46 -1.02 0.00 0.00 0.00 0.00 0.00 32.46 31.90 1lwm n ARG 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1lwm n LYS 14 N 1.33 0.00 -0.35 -0.14 4.81 -1.26 -4.96 118.16 117.59 1lwm n LYS 14 Ca 0.11 0.49 0.06 0.00 -0.87 0.00 0.00 58.31 58.10 1lwm n LYS 14 Cb 0.41 -1.47 0.22 0.00 0.02 0.00 0.00 35.03 34.21 1lwm n LYS 14 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1lwm n LYS 15 N -0.77 2.57 -3.80 1.64 2.85 -1.26 -4.67 118.16 114.71 1lwm n LYS 15 Ca 0.00 -1.75 -0.34 0.00 -1.05 0.00 0.00 58.31 55.16 1lwm n LYS 15 Cb 0.28 -1.59 -0.11 0.00 -0.65 0.00 0.00 35.03 32.96 1lwm n LYS 15 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1lwm s LYS 16 N -1.65 2.31 -0.24 -1.58 2.20 -1.26 -5.02 119.74 114.49 1lwm s LYS 16 Ca 0.32 -2.48 -0.03 0.00 -0.36 0.00 0.00 55.97 53.42 1lwm s LYS 16 Cb 0.20 -3.58 0.11 0.00 -1.51 0.00 0.00 37.83 33.04 1lwm s LYS 16 CO 0.17 -1.14 0.22 -0.51 -0.36 0.00 0.00 175.35 173.73 1lwm s ASP 17 N 0.50 1.92 1.09 1.43 1.11 -1.26 -5.15 116.67 116.31 1lwm s ASP 17 Ca 0.16 -0.60 -0.19 0.00 0.18 0.00 0.00 52.55 52.10 1lwm s ASP 17 Cb -0.22 0.25 0.07 0.00 1.07 0.00 0.00 42.92 44.09 1lwm s ASP 17 CO -0.03 -0.37 -0.10 -2.65 1.18 0.00 0.00 175.17 173.21 1lwm n PRO 18 N 5.30 -1.33 -3.20 8.23 -0.02 -1.26 -4.26 135.00 138.45 1lwm n PRO 18 Ca -0.05 -0.37 -0.08 0.00 -2.02 0.00 0.00 63.50 60.99 1lwm n PRO 18 Cb 0.47 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.16 -7.13 0.08 2.55 5.03 -1.26 -4.97 115.26 108.41 1lwm n ASN 19 Ca 0.01 -0.19 -0.07 0.00 0.87 0.00 0.00 54.58 55.20 1lwm n ASN 19 Cb 0.63 -4.43 -0.05 0.00 -1.02 0.00 0.00 39.78 34.91 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1lwm h ALA 20 N 0.88 -0.29 -2.69 5.41 0.00 -1.95 -3.46 119.26 117.16 1lwm h ALA 20 Ca -0.15 -0.14 -0.51 0.00 0.00 0.00 0.00 54.91 54.11 1lwm h ALA 20 Cb 1.10 0.11 0.06 0.00 0.00 0.00 0.00 17.79 19.07 1lwm h ALA 20 CO 0.30 -0.30 0.48 -1.25 0.00 0.00 0.00 179.25 178.48 1lwm s PRO 21 N -2.87 3.73 0.18 0.00 0.04 -1.26 -4.97 135.00 129.85 1lwm s PRO 21 Ca -0.08 1.77 -0.31 0.00 0.04 0.00 0.00 61.00 62.42 1lwm s PRO 21 Cb 0.00 -2.38 -0.10 0.00 0.04 0.00 0.00 34.50 32.06 1lwm s PRO 21 CO 0.27 -0.58 1.51 0.21 0.04 0.00 0.00 177.00 178.45 1lwm s LYS 22 N -2.73 4.24 -0.32 4.56 2.36 -1.26 -4.86 119.74 121.73 1lwm s LYS 22 Ca 0.64 2.30 -0.37 0.00 -2.55 0.00 0.00 55.97 56.00 1lwm s LYS 22 Cb -0.29 -3.15 -0.13 0.00 -1.05 0.00 0.00 37.83 33.21 1lwm s LYS 22 CO 0.35 -0.53 2.05 -2.13 1.55 0.00 0.00 175.35 176.63 1lwm n ARG 23 N 3.51 1.12 -0.21 4.03 0.63 -1.26 -4.91 116.66 119.57 1lwm n ARG 23 Ca 0.12 0.35 -0.06 0.00 -0.92 0.00 0.00 57.85 57.33 1lwm n ARG 23 Cb 0.39 -2.32 0.06 0.00 0.45 0.00 0.00 32.46 31.05 1lwm n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1lwm n ALA 24 N 8.26 -1.08 -2.24 5.13 0.00 -1.26 -5.05 120.51 124.27 1lwm n ALA 24 Ca 0.37 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 1lwm n ALA 24 Cb 0.19 -0.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 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 1.20 0.47 0.00 1.43 -1.26 -5.06 118.68 115.46 1lwm s LEU 25 Ca 0.14 -1.42 0.08 0.00 -1.03 0.00 0.00 54.13 51.90 1lwm s LEU 25 Cb -0.02 0.45 0.03 0.00 0.03 0.00 0.00 46.19 46.67 1lwm s LEU 25 CO 0.11 -0.88 0.61 -0.94 0.23 0.00 0.00 176.35 175.48 1lwm s SER 26 N -3.18 5.38 0.61 2.29 1.04 -1.26 -4.62 113.70 113.97 1lwm s SER 26 Ca 0.39 -0.62 0.28 0.00 0.48 0.00 0.00 55.95 56.48 1lwm s SER 26 Cb 0.06 -0.32 1.40 0.00 0.10 0.00 0.00 66.02 67.26 1lwm s SER 26 CO 0.14 -0.93 1.81 0.00 0.98 0.00 0.00 173.24 175.24 1lwm h ALA 27 N 0.55 2.06 0.09 5.32 0.00 -1.85 0.32 119.26 125.75 1lwm h ALA 27 Ca -0.37 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.24 1lwm h ALA 27 Cb 1.28 0.03 0.03 0.00 0.00 0.00 0.00 17.79 19.13 1lwm h ALA 27 CO 0.46 -0.74 -1.19 -0.92 0.00 0.00 0.00 179.25 176.86 1lwm h TYR 28 N 0.00 1.00 0.00 0.00 3.20 -1.93 -2.64 116.97 116.60 1lwm h TYR 28 Ca 0.19 -0.60 -0.05 0.00 3.14 0.00 0.00 58.73 61.40 1lwm h TYR 28 Cb 1.26 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 1lwm h TYR 28 CO 0.00 1.44 -0.25 0.52 -1.64 0.00 0.00 178.16 178.23 1lwm h MET 29 N 0.30 0.00 0.12 1.82 2.86 -0.74 0.11 114.93 119.40 1lwm h MET 29 Ca -0.17 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1lwm h MET 29 Cb 1.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.51 1lwm h MET 29 CO 0.23 0.25 -0.06 0.74 1.06 0.00 0.00 176.91 179.13 1lwm h PHE 30 N 0.00 -0.15 0.00 -0.22 -1.00 -1.37 0.89 116.94 115.09 1lwm h PHE 30 Ca -0.00 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1lwm h PHE 30 Cb 0.65 0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.25 1lwm h PHE 30 CO 0.00 0.17 -0.05 0.35 -1.61 0.00 0.00 178.31 177.18 1lwm h PHE 31 N -0.99 0.00 0.03 -0.55 3.04 -1.48 -2.24 116.94 114.76 1lwm h PHE 31 Ca -0.02 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.64 1lwm h PHE 31 Cb 0.39 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.86 1lwm h PHE 31 CO 0.07 0.05 -1.67 0.00 -2.02 0.00 0.00 178.31 174.74 1lwm h ALA 32 N 1.95 0.63 0.00 2.41 0.00 -0.84 -2.13 119.26 121.28 1lwm h ALA 32 Ca -0.00 -1.36 -0.11 0.00 0.00 0.00 0.00 54.91 53.43 1lwm h ALA 32 Cb 0.35 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1lwm h ALA 32 CO 0.01 1.46 -0.53 -0.91 0.00 0.00 0.00 179.25 179.29 1lwm h ASN 33 N 0.02 0.00 0.08 0.00 -0.26 -0.37 -0.11 115.58 114.94 1lwm h ASN 33 Ca -0.28 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.13 1lwm h ASN 33 Cb 1.99 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 39.23 1lwm h ASN 33 CO 0.09 0.53 -1.84 1.21 -1.06 0.00 0.00 177.43 176.36 1lwm n GLU 34 N -3.89 0.70 0.20 0.81 2.13 -0.88 -4.03 120.64 115.67 1lwm n GLU 34 Ca -0.01 0.34 0.05 0.00 0.66 0.00 0.00 57.16 58.20 1lwm n GLU 34 Cb 0.54 -1.70 0.42 0.00 0.27 0.00 0.00 31.44 30.97 1lwm n GLU 34 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1lwm h ASN 35 N -0.27 0.00 0.59 4.31 -0.26 -1.43 -2.03 115.58 116.50 1lwm h ASN 35 Ca -0.42 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.29 1lwm h ASN 35 Cb 1.81 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 39.07 1lwm h ASN 35 CO -0.02 0.32 -0.14 0.08 -1.06 0.00 0.00 177.43 176.61 1lwm h ARG 36 N 0.00 0.00 0.03 0.81 0.11 -1.17 -1.91 114.38 112.25 1lwm h ARG 36 Ca -0.00 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.79 1lwm h ARG 36 Cb 0.64 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.68 1lwm h ARG 36 CO 0.04 0.14 -1.60 -0.44 0.10 0.00 0.00 179.97 178.21 1lwm h ASP 37 N 0.00 0.09 -0.56 0.08 3.32 -1.52 -1.96 116.42 115.87 1lwm h ASP 37 Ca -0.00 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 1lwm h ASP 37 Cb 0.47 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1lwm h ASP 37 CO 0.02 1.15 -0.02 0.40 -1.72 0.00 0.00 179.24 179.07 1lwm h ILE 38 N 0.02 1.27 0.22 0.35 2.04 -1.03 0.27 117.51 120.64 1lwm h ILE 38 Ca -0.25 -1.16 -0.28 0.00 1.00 0.00 0.00 64.86 64.17 1lwm h ILE 38 Cb 1.98 0.88 0.03 0.00 -0.74 0.00 0.00 36.82 38.98 1lwm h ILE 38 CO 0.10 0.41 -1.24 0.58 0.00 0.00 0.00 178.15 178.00 1lwm h VAL 39 N 0.89 1.36 0.00 1.67 2.07 -1.49 -2.59 116.25 118.17 1lwm h VAL 39 Ca 0.16 -2.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.02 1lwm h VAL 39 Cb 0.57 3.10 -0.00 0.00 -1.52 0.00 0.00 31.29 33.44 1lwm h VAL 39 CO 0.03 0.78 -0.08 0.03 0.02 0.00 0.00 177.57 178.35 1lwm h ARG 40 N -0.03 0.00 0.24 1.57 3.08 -1.33 0.22 114.38 118.12 1lwm h ARG 40 Ca -0.22 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.49 1lwm h ARG 40 Cb 1.98 0.00 0.03 0.00 0.08 0.00 0.00 29.97 32.06 1lwm h ARG 40 CO 0.23 0.08 -1.55 0.77 -1.07 0.00 0.00 179.97 178.44 1lwm h SER 41 N 0.00 0.78 1.33 7.04 0.02 -0.48 0.28 113.55 122.51 1lwm h SER 41 Ca -0.00 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 1lwm h SER 41 Cb 0.42 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1lwm h SER 41 CO 0.01 1.72 -0.06 -0.62 -1.14 0.00 0.00 176.83 176.74 1lwm n GLU 42 N -3.68 0.22 -2.95 3.45 -0.58 -0.98 -4.22 120.64 111.90 1lwm n GLU 42 Ca -0.19 0.16 -0.14 0.00 -0.42 0.00 0.00 57.16 56.58 1lwm n GLU 42 Cb 1.10 -1.74 0.02 0.00 -0.57 0.00 0.00 31.44 30.25 1lwm n GLU 42 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1lwm n ASN 43 N -2.11 -0.96 0.23 1.62 3.02 0.73 -4.96 115.26 112.82 1lwm n ASN 43 Ca 0.06 -3.29 0.10 0.00 -0.03 0.00 0.00 54.58 51.42 1lwm n ASN 43 Cb 0.41 0.70 0.56 0.00 -0.61 0.00 0.00 39.78 40.84 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 3.23 0.00 -0.39 3.52 0.11 -1.10 -0.53 132.00 136.83 1lwm h PRO 44 Ca -0.01 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 1lwm h PRO 44 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1lwm h PRO 44 CO 0.33 0.00 -0.24 0.22 -0.21 0.00 0.00 178.00 178.10 1lwm h ASP 45 N 0.00 0.89 -4.10 -2.05 3.58 -1.93 -3.44 116.42 109.37 1lwm h ASP 45 Ca 0.00 -0.42 -0.50 0.00 0.42 0.00 0.00 57.03 56.53 1lwm h ASP 45 Cb 0.54 -0.25 0.04 0.00 1.72 0.00 0.00 39.33 41.38 1lwm h ASP 45 CO 0.00 1.12 0.32 0.27 -2.88 0.00 0.00 179.24 178.07 1lwm s ILE 46 N -4.56 4.71 0.02 2.25 -4.36 -0.21 -5.09 121.20 113.95 1lwm s ILE 46 Ca -0.12 0.82 0.00 0.00 -0.26 0.00 0.00 60.65 61.09 1lwm s ILE 46 Cb 0.11 -3.81 0.00 0.00 1.25 0.00 0.00 42.46 40.00 1lwm s ILE 46 CO 0.85 -0.90 0.00 0.35 0.24 0.00 0.00 174.94 175.48 1lwm n THR 47 N -2.18 0.00 0.27 8.37 -2.24 -1.26 -4.89 114.28 112.35 1lwm n THR 47 Ca 0.05 -0.07 0.16 0.00 -2.27 0.00 0.00 64.05 61.92 1lwm n THR 47 Cb 0.54 -0.05 0.77 0.00 -2.10 0.00 0.00 70.33 69.49 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 0.94 0.00 -1.24 4.78 3.57 -1.97 -1.55 116.94 121.48 1lwm h PHE 48 Ca -0.01 0.00 0.37 0.00 3.53 0.00 0.00 57.97 61.86 1lwm h PHE 48 Cb 0.04 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.67 1lwm h PHE 48 CO 0.00 0.00 0.81 0.78 -2.23 0.00 0.00 178.31 177.67 1lwm h GLY 49 N 0.00 1.08 0.00 2.40 0.00 -2.00 -1.81 103.07 102.75 1lwm h GLY 49 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1lwm h GLY 49 CO -0.00 -0.25 -0.68 0.61 0.00 0.00 0.00 176.54 176.22 1lwm n GLN 50 N -4.59 2.09 0.08 4.80 0.00 -0.72 -4.62 117.38 114.42 1lwm n GLN 50 Ca 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 57.19 1lwm n GLN 50 Cb 1.24 -0.84 -0.08 0.00 0.00 0.00 0.00 30.24 30.56 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 -0.20 -0.39 2.07 -1.07 -0.72 116.25 116.93 1lwm h VAL 51 Ca 0.00 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1lwm h VAL 51 Cb 0.16 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1lwm h VAL 51 CO 0.00 0.15 -0.01 1.23 0.02 0.00 0.00 177.57 178.96 1lwm h GLY 52 N -0.53 0.31 2.00 2.17 0.00 -1.57 -1.18 103.07 104.27 1lwm h GLY 52 Ca -0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1lwm h GLY 52 CO 0.03 0.15 -0.24 0.50 0.00 0.00 0.00 176.54 176.98 1lwm h LYS 53 N 0.28 0.00 0.04 4.80 1.57 -1.66 -1.72 116.57 119.89 1lwm h LYS 53 Ca 0.07 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.59 1lwm h LYS 53 Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.53 1lwm h LYS 53 CO 0.01 0.24 -1.07 -0.22 -0.57 0.00 0.00 179.45 177.83 1lwm h LYS 54 N 0.00 0.51 0.00 3.15 3.64 0.08 -2.18 116.57 121.77 1lwm h LYS 54 Ca -0.00 -0.61 -0.09 0.00 -1.27 0.00 0.00 60.65 58.68 1lwm h LYS 54 Cb 0.93 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1lwm h LYS 54 CO 0.03 1.23 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.94 1lwm h LEU 55 N 0.26 0.00 -0.09 5.20 3.38 -1.31 -1.93 115.31 120.82 1lwm h LEU 55 Ca -0.12 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.61 1lwm h LEU 55 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1lwm h LEU 55 CO 0.20 0.44 -1.03 1.23 0.09 0.00 0.00 178.44 179.37 1lwm h GLY 56 N 3.00 0.42 1.76 0.83 0.00 -1.29 -1.46 103.07 106.34 1lwm h GLY 56 Ca -0.00 -0.81 -0.25 0.00 0.00 0.00 0.00 47.33 46.26 1lwm h GLY 56 CO 0.06 0.72 -1.14 0.83 0.00 0.00 0.00 176.54 177.00 1lwm h GLU 57 N 0.19 0.18 -0.02 4.80 5.08 -1.40 -1.97 114.58 121.44 1lwm h GLU 57 Ca -0.10 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 57.91 1lwm h GLU 57 Cb 1.69 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1lwm h GLU 57 CO 0.18 1.14 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.91 1lwm h LYS 58 N 0.05 0.16 -0.32 2.33 3.64 -1.41 -2.33 116.57 118.69 1lwm h LYS 58 Ca -0.09 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 1lwm h LYS 58 Cb 1.88 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.73 1lwm h LYS 58 CO 0.18 0.84 0.01 2.35 -2.27 0.00 0.00 179.45 180.56 1lwm h TRP 59 N -0.47 0.60 -0.79 1.91 2.91 -1.38 0.44 115.95 119.17 1lwm h TRP 59 Ca -0.02 -0.10 0.03 0.00 1.13 0.00 0.00 58.89 59.93 1lwm h TRP 59 Cb 0.89 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 29.34 1lwm h TRP 59 CO 0.16 0.67 0.52 1.57 -1.03 0.00 0.00 178.44 180.33 1lwm h LYS 60 N 0.36 0.95 -0.01 2.65 2.10 -1.44 0.25 116.57 121.43 1lwm h LYS 60 Ca 0.09 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1lwm h LYS 60 Cb 0.42 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1lwm h LYS 60 CO 0.01 0.63 -0.20 0.00 -2.00 0.00 0.00 179.45 177.89 1lwm n ALA 61 N -2.42 2.97 -2.46 0.07 0.00 -0.88 -4.85 120.51 112.94 1lwm n ALA 61 Ca 0.10 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 1lwm n ALA 61 Cb 0.11 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.39 3.91 0.03 0.00 0.05 0.15 -4.93 118.68 115.50 1lwm s LEU 62 Ca 0.27 1.21 -0.25 0.00 0.05 0.00 0.00 54.13 55.40 1lwm s LEU 62 Cb 0.20 -3.54 -0.13 0.00 -2.05 0.00 0.00 46.19 40.67 1lwm s LEU 62 CO 0.48 -1.02 0.65 0.41 -0.55 0.00 0.00 176.35 176.31 1lwm n THR 63 N 6.10 0.25 0.20 5.48 -1.04 -1.26 -4.61 114.28 119.39 1lwm n THR 63 Ca 0.14 -0.06 0.18 0.00 -2.04 0.00 0.00 64.05 62.27 1lwm n THR 63 Cb 0.47 0.00 0.78 0.00 -1.82 0.00 0.00 70.33 69.76 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 1.76 0.00 -0.15 -2.82 0.11 -1.92 0.72 132.00 129.70 1lwm h PRO 64 Ca -0.31 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.59 1lwm h PRO 64 Cb 0.96 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.08 1lwm h PRO 64 CO 0.43 0.00 -0.74 0.93 -0.21 0.00 0.00 178.00 178.41 1lwm h GLU 65 N 0.00 0.70 -0.05 1.05 5.08 -1.99 0.98 114.58 120.35 1lwm h GLU 65 Ca 0.11 -0.55 -0.14 0.00 -1.00 0.00 0.00 59.36 57.78 1lwm h GLU 65 Cb 0.87 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1lwm h GLU 65 CO -0.00 1.17 -0.59 0.93 -1.00 0.00 0.00 179.01 179.52 1lwm h GLU 66 N 0.48 0.16 0.00 2.33 4.39 -1.17 -2.94 114.58 117.84 1lwm h GLU 66 Ca -0.04 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1lwm h GLU 66 Cb 1.35 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1lwm h GLU 66 CO 0.15 0.70 -0.59 1.57 -1.16 0.00 0.00 179.01 179.68 1lwm h LYS 67 N 0.12 0.00 -0.88 2.33 2.10 -1.41 -3.38 116.57 115.44 1lwm h LYS 67 Ca -0.00 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.75 1lwm h LYS 67 Cb 1.07 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.28 1lwm h LYS 67 CO 0.09 0.00 -0.43 0.94 -2.00 0.00 0.00 179.45 178.05 1lwm n GLN 68 N -2.34 -0.29 -0.30 0.07 7.27 0.34 0.46 117.38 122.59 1lwm n GLN 68 Ca 0.03 1.34 0.05 0.00 0.07 0.00 0.00 57.00 58.49 1lwm n GLN 68 Cb 0.47 -1.99 0.20 0.00 2.41 0.00 0.00 30.24 31.33 1lwm n GLN 68 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1lwm h PRO 69 N 0.00 0.72 0.86 3.69 0.11 -1.77 -1.85 132.00 133.76 1lwm h PRO 69 Ca 0.23 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 1lwm h PRO 69 Cb 0.45 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.40 1lwm h PRO 69 CO -0.85 0.48 -0.42 1.88 -0.21 0.00 0.00 178.00 178.87 1lwm h TYR 70 N 0.74 -1.10 -0.95 0.65 0.05 -0.25 -1.62 116.97 114.49 1lwm h TYR 70 Ca 0.43 -0.02 0.20 0.00 0.05 0.00 0.00 58.73 59.39 1lwm h TYR 70 Cb 0.49 0.37 -0.11 0.00 1.01 0.00 0.00 36.73 38.49 1lwm h TYR 70 CO -0.07 -0.68 0.52 1.49 -1.05 0.00 0.00 178.16 178.38 1lwm h GLU 71 N -1.17 0.60 -0.58 4.88 4.81 -1.01 0.31 114.58 122.41 1lwm h GLU 71 Ca -0.12 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1lwm h GLU 71 Cb 0.90 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1lwm h GLU 71 CO 0.19 0.40 0.28 0.00 -0.73 0.00 0.00 179.01 179.14 1lwm h ALA 72 N 1.66 1.39 -0.00 2.92 0.00 -1.05 -1.28 119.26 122.90 1lwm h ALA 72 Ca 0.57 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 55.23 1lwm h ALA 72 Cb 0.95 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1lwm h ALA 72 CO -0.43 0.48 -0.61 -0.22 0.00 0.00 0.00 179.25 178.46 1lwm h LYS 73 N 0.82 0.01 0.00 0.00 1.63 0.52 -2.32 116.57 117.23 1lwm h LYS 73 Ca 0.20 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.90 1lwm h LYS 73 Cb 0.09 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1lwm h LYS 73 CO -0.03 0.62 -0.45 0.00 -3.45 0.00 0.00 179.45 176.15 1lwm h ALA 74 N 1.38 0.96 0.07 5.00 0.00 -0.16 -0.68 119.26 125.83 1lwm h ALA 74 Ca -0.01 -0.41 -0.26 0.00 0.00 0.00 0.00 54.91 54.24 1lwm h ALA 74 Cb 1.09 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1lwm h ALA 74 CO 0.08 0.56 -1.11 1.96 0.00 0.00 0.00 179.25 180.74 1lwm h GLN 75 N 0.00 0.45 -0.02 0.00 1.08 -1.00 0.20 115.11 115.82 1lwm h GLN 75 Ca -0.00 -0.57 -0.15 0.00 -1.45 0.00 0.00 58.65 56.47 1lwm h GLN 75 Cb 0.98 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.58 1lwm h GLN 75 CO 0.06 1.22 -0.69 0.00 -0.95 0.00 0.00 178.83 178.46 1lwm h ALA 76 N 0.56 0.80 0.00 3.87 0.00 -1.30 -2.08 119.26 121.11 1lwm h ALA 76 Ca -0.13 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.05 1lwm h ALA 76 Cb 1.78 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1lwm h ALA 76 CO 0.20 0.82 -0.86 -0.44 0.00 0.00 0.00 179.25 178.98 1lwm h ASP 77 N 0.08 0.00 0.75 0.00 5.19 -1.13 -2.66 116.42 118.65 1lwm h ASP 77 Ca -0.01 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.26 1lwm h ASP 77 Cb 1.23 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.72 1lwm h ASP 77 CO 0.10 0.46 -0.65 0.50 -3.12 0.00 0.00 179.24 176.53 1lwm h LYS 78 N 0.00 0.00 0.00 3.56 3.64 -0.45 -1.98 116.57 121.34 1lwm h LYS 78 Ca -0.06 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.14 1lwm h LYS 78 Cb 1.41 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 1lwm h LYS 78 CO 0.05 0.65 -1.10 -0.22 -2.27 0.00 0.00 179.45 176.56 1lwm h LYS 79 N 0.00 0.00 -0.02 1.90 1.63 -1.42 -2.21 116.57 116.45 1lwm h LYS 79 Ca -0.01 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.60 1lwm h LYS 79 Cb 1.20 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 1lwm h LYS 79 CO 0.08 0.52 -0.82 0.00 -3.45 0.00 0.00 179.45 175.78 1lwm h ARG 80 N 0.00 0.27 0.12 1.90 3.08 -1.37 0.11 114.38 118.49 1lwm h ARG 80 Ca -0.10 -0.26 -0.31 0.00 0.07 0.00 0.00 59.98 59.38 1lwm h ARG 80 Cb 1.62 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 1lwm h ARG 80 CO 0.07 0.95 -1.54 -0.92 -1.07 0.00 0.00 179.97 177.46 1lwm h TYR 81 N 0.16 0.46 0.00 3.04 3.20 -1.45 -2.87 116.97 119.51 1lwm h TYR 81 Ca -0.04 -0.34 -0.08 0.00 3.14 0.00 0.00 58.73 61.41 1lwm h TYR 81 Cb 1.42 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1lwm h TYR 81 CO 0.03 1.39 -0.37 0.93 -1.64 0.00 0.00 178.16 178.50 1lwm h GLU 82 N 0.07 0.00 0.01 1.82 4.39 -1.45 -2.15 114.58 117.26 1lwm h GLU 82 Ca -0.25 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 1lwm h GLU 82 Cb 2.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 1lwm h GLU 82 CO 0.16 0.37 -0.06 1.03 -1.16 0.00 0.00 179.01 179.35 1lwm h SER 83 N 0.00 0.05 -0.37 1.42 0.87 -0.87 -1.78 113.55 112.87 1lwm h SER 83 Ca -0.00 -0.88 -0.11 0.00 -1.23 0.00 0.00 61.79 59.57 1lwm h SER 83 Cb 1.28 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.21 1lwm h SER 83 CO 0.05 0.92 -0.16 -0.08 -0.53 0.00 0.00 176.83 177.03 1lwm h GLU 84 N -0.82 0.84 -0.37 2.24 4.22 -1.60 -2.15 114.58 116.94 1lwm h GLU 84 Ca -0.01 -0.31 -0.14 0.00 0.08 0.00 0.00 59.36 58.98 1lwm h GLU 84 Cb 0.94 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1lwm h GLU 84 CO 0.01 0.94 -0.33 -0.22 -2.18 0.00 0.00 179.01 177.24 1lwm h LYS 85 N 0.74 0.82 -0.63 1.92 3.11 -1.49 -2.15 116.57 118.89 1lwm h LYS 85 Ca 0.11 -0.39 -0.07 0.00 -2.81 0.00 0.00 60.65 57.49 1lwm h LYS 85 Cb 0.68 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.87 1lwm h LYS 85 CO 0.05 1.03 0.13 1.49 -2.81 0.00 0.00 179.45 179.33 1lwm h GLU 86 N 0.69 1.01 -0.42 1.90 4.81 -1.15 -1.87 114.58 119.55 1lwm h GLU 86 Ca 0.07 -0.24 -0.11 0.00 -0.13 0.00 0.00 59.36 58.95 1lwm h GLU 86 Cb 0.88 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1lwm h GLU 86 CO 0.08 0.92 -0.15 -0.07 -0.73 0.00 0.00 179.01 179.05 1lwm h LEU 87 N 0.96 0.86 -0.08 1.64 3.38 -1.27 -2.33 115.31 118.47 1lwm h LEU 87 Ca 0.20 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1lwm h LEU 87 Cb 0.38 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1lwm h LEU 87 CO 0.01 1.05 0.05 0.22 0.09 0.00 0.00 178.44 179.85 1lwm h TYR 88 N 0.67 0.10 -0.55 1.13 3.20 -1.18 -0.99 116.97 119.35 1lwm h TYR 88 Ca 0.10 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.02 1lwm h TYR 88 Cb 0.70 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.89 1lwm h TYR 88 CO 0.05 0.12 0.29 -0.97 -1.64 0.00 0.00 178.16 176.01 1lwm h ASN 89 N 0.06 0.43 0.30 -2.11 -1.24 -1.33 -0.70 115.58 111.00 1lwm h ASN 89 Ca 0.03 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 1lwm h ASN 89 Cb 0.05 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.03 1lwm h ASN 89 CO -0.01 0.29 -0.16 0.00 -1.29 0.00 0.00 177.43 176.26 1lwm h ALA 90 N 1.29 1.43 -0.25 1.57 0.00 -1.18 -1.69 119.26 120.43 1lwm h ALA 90 Ca 0.24 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1lwm h ALA 90 Cb 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1lwm h ALA 90 CO -0.16 0.21 -0.40 1.15 0.00 0.00 0.00 179.25 180.04 1lwm h THR 91 N 0.00 1.31 -0.08 0.00 2.02 0.24 -3.17 112.91 113.23 1lwm h THR 91 Ca -0.00 -1.61 -0.15 0.00 0.77 0.00 0.00 66.41 65.42 1lwm h THR 91 Cb 0.36 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1lwm h THR 91 CO 0.02 0.51 -0.61 -0.07 0.37 0.00 0.00 175.52 175.74 1lwm h LEU 92 N 0.43 0.30 -0.47 2.58 3.38 -1.01 -3.51 115.31 117.00 1lwm h LEU 92 Ca 0.02 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1lwm h LEU 92 Cb 1.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1lwm h LEU 92 CO 0.09 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.45