#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lwm n VAL 2 N 0.00 0.84 -2.75 2.03 0.31 -1.26 -4.96 118.33 112.54 1lwm n VAL 2 Ca 0.00 -0.47 -0.42 0.00 -0.01 0.00 0.00 64.34 63.44 1lwm n VAL 2 Cb 0.00 -0.76 -0.03 0.00 -0.91 0.00 0.00 33.84 32.14 1lwm n VAL 2 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1lwm s THR 3 N -2.30 4.85 0.52 2.52 2.01 -1.26 -5.03 115.64 116.95 1lwm s THR 3 Ca -0.09 1.96 -0.20 0.00 0.31 0.00 0.00 61.69 63.66 1lwm s THR 3 Cb 0.04 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.21 1lwm s THR 3 CO 0.46 0.08 1.13 -2.16 -0.69 0.00 0.00 174.62 173.45 1lwm s PRO 4 N 1.59 3.48 -0.04 4.92 0.04 -1.26 -5.05 135.00 138.67 1lwm s PRO 4 Ca 0.48 1.64 0.02 0.00 0.04 0.00 0.00 61.00 63.18 1lwm s PRO 4 Cb -0.19 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 1lwm s PRO 4 CO 0.21 -0.75 -0.08 0.50 0.04 0.00 0.00 177.00 176.92 1lwm s ARG 5 N -3.13 2.66 0.11 4.56 3.52 -1.26 -5.13 118.95 120.29 1lwm s ARG 5 Ca 0.70 -0.62 0.08 0.00 -0.13 0.00 0.00 55.73 55.77 1lwm s ARG 5 Cb -0.25 -2.54 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 1lwm s ARG 5 CO 0.29 0.64 -0.15 -1.21 -0.81 0.00 0.00 175.30 174.05 1lwm s GLU 6 N -0.99 1.91 0.13 5.12 2.02 -1.26 -5.05 118.70 120.58 1lwm s GLU 6 Ca 0.14 -1.12 -0.12 0.00 0.02 0.00 0.00 54.97 53.89 1lwm s GLU 6 Cb -0.11 -2.18 -0.06 0.00 0.10 0.00 0.00 34.13 31.88 1lwm s GLU 6 CO 0.03 0.49 1.46 -1.00 0.02 0.00 0.00 175.26 176.26 1lwm h PRO 7 N 3.73 0.87 0.00 0.39 0.13 -1.98 -3.47 132.00 131.67 1lwm h PRO 7 Ca -0.49 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1lwm h PRO 7 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1lwm h PRO 7 CO 0.48 1.11 0.00 1.63 -0.23 0.00 0.00 178.00 180.99 1lwm n LYS 8 N -4.12 0.00 0.00 0.86 5.02 -1.26 -2.05 118.16 116.61 1lwm n LYS 8 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1lwm n LYS 8 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 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 0.00 0.03 -4.86 1.97 5.02 -1.26 -5.05 118.16 114.01 1lwm n LYS 9 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1lwm n LYS 9 Cb 0.00 -0.97 -0.13 0.00 -0.02 0.00 0.00 35.03 33.90 1lwm n LYS 9 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1lwm s ARG 10 N -1.95 2.63 0.69 1.97 0.52 -0.87 -5.11 118.95 116.84 1lwm s ARG 10 Ca 0.00 -0.68 -0.15 0.00 -0.52 0.00 0.00 55.73 54.37 1lwm s ARG 10 Cb 0.00 -2.42 0.02 0.00 0.52 0.00 0.00 34.95 33.07 1lwm s ARG 10 CO 0.00 0.57 1.16 0.99 0.02 0.00 0.00 175.30 178.04 1lwm s THR 11 N -0.60 2.74 -0.62 0.02 2.01 -1.26 -4.64 115.64 113.30 1lwm s THR 11 Ca 0.09 0.36 -0.26 0.00 0.31 0.00 0.00 61.69 62.18 1lwm s THR 11 Cb -0.11 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1lwm s THR 11 CO 0.01 -0.20 2.04 -0.89 -0.69 0.00 0.00 174.62 174.89 1lwm s THR 12 N -2.14 3.25 -0.68 -0.82 2.01 -1.26 -4.82 115.64 111.18 1lwm s THR 12 Ca 0.71 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.77 1lwm s THR 12 Cb -0.25 -3.65 0.41 0.00 0.01 0.00 0.00 72.50 69.02 1lwm s THR 12 CO 0.43 -0.63 2.05 -1.14 -0.69 0.00 0.00 174.62 174.64 1lwm n ARG 13 N 9.09 2.64 0.00 4.92 0.63 -1.26 -4.87 116.66 127.82 1lwm n ARG 13 Ca 0.28 -3.22 0.00 0.00 -0.92 0.00 0.00 57.85 54.00 1lwm n ARG 13 Cb 0.52 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 31.18 1lwm n ARG 13 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1lwm n LYS 14 N -0.76 0.00 -1.36 -0.14 4.81 -1.26 -4.88 118.16 114.57 1lwm n LYS 14 Ca 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1lwm n LYS 14 Cb 0.58 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.63 1lwm n LYS 14 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1lwm n LYS 15 N 0.00 -3.73 -3.96 1.64 4.01 -1.26 -5.01 118.16 109.85 1lwm n LYS 15 Ca 0.00 2.84 -0.17 0.00 -0.51 0.00 0.00 58.31 60.47 1lwm n LYS 15 Cb 0.00 -3.37 -0.16 0.00 -0.51 0.00 0.00 35.03 30.99 1lwm n LYS 15 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1lwm s LYS 16 N -4.66 0.33 -0.48 1.97 -2.85 -1.26 -5.09 119.74 107.70 1lwm s LYS 16 Ca 0.00 0.04 0.05 0.00 -1.00 0.00 0.00 55.97 55.05 1lwm s LYS 16 Cb 0.00 -0.48 0.18 0.00 -2.06 0.00 0.00 37.83 35.47 1lwm s LYS 16 CO 0.00 -0.11 0.39 -0.25 0.10 0.00 0.00 175.35 175.49 1lwm n ASP 17 N 3.98 0.38 -3.11 0.03 8.00 -1.26 -5.13 116.55 119.45 1lwm n ASP 17 Ca -0.25 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 52.65 1lwm n ASP 17 Cb 0.51 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1lwm n ASP 17 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1lwm n PRO 18 N 2.51 0.88 -2.85 -0.24 -0.02 -1.26 -4.75 135.00 129.28 1lwm n PRO 18 Ca 0.27 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.74 1lwm n PRO 18 Cb 0.45 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.92 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 -0.76 -5.50 -2.70 2.55 3.02 -1.26 -5.02 115.26 105.59 1lwm n ASN 19 Ca 0.00 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.68 1lwm n ASN 19 Cb 0.00 -3.92 0.02 0.00 -0.61 0.00 0.00 39.78 35.27 1lwm n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lwm s ALA 20 N -0.96 -4.69 1.19 5.41 0.00 -1.26 -4.84 121.76 116.60 1lwm s ALA 20 Ca -0.08 1.18 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 1lwm s ALA 20 Cb 0.01 -3.04 0.28 0.00 0.00 0.00 0.00 23.12 20.37 1lwm s ALA 20 CO 0.50 -2.54 1.11 -1.25 0.00 0.00 0.00 175.76 173.58 1lwm s PRO 21 N 1.67 -1.10 -0.77 0.00 0.04 -1.26 -5.01 135.00 128.58 1lwm s PRO 21 Ca 0.17 -0.03 -0.03 0.00 0.04 0.00 0.00 61.00 61.15 1lwm s PRO 21 Cb 0.07 -1.61 0.19 0.00 0.04 0.00 0.00 34.50 33.20 1lwm s PRO 21 CO -0.14 -3.64 0.62 0.21 0.04 0.00 0.00 177.00 174.09 1lwm s LYS 22 N -5.37 2.97 -1.30 4.56 2.20 -1.26 -4.81 119.74 116.72 1lwm s LYS 22 Ca 0.70 -2.91 -0.26 0.00 -0.36 0.00 0.00 55.97 53.15 1lwm s LYS 22 Cb -0.10 -3.87 0.03 0.00 -1.51 0.00 0.00 37.83 32.38 1lwm s LYS 22 CO 0.56 -1.23 0.51 -2.13 -0.36 0.00 0.00 175.35 172.70 1lwm n ARG 23 N 2.92 -0.45 0.00 4.03 3.00 -1.26 -4.54 116.66 120.36 1lwm n ARG 23 Ca 0.15 0.08 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 1lwm n ARG 23 Cb 0.38 -2.81 0.00 0.00 0.00 0.00 0.00 32.46 30.03 1lwm n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1lwm n ALA 24 N -4.94 0.00 -3.50 5.13 0.00 -1.26 -4.92 120.51 111.02 1lwm n ALA 24 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1lwm n ALA 24 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 0.11 0.00 0.00 1.43 -1.26 -5.05 118.68 113.91 1lwm s LEU 25 Ca 0.00 -0.88 -0.28 0.00 -1.03 0.00 0.00 54.13 51.95 1lwm s LEU 25 Cb 0.00 2.25 0.07 0.00 0.03 0.00 0.00 46.19 48.54 1lwm s LEU 25 CO 0.00 -1.30 0.63 -0.44 0.23 0.00 0.00 176.35 175.46 1lwm s SER 26 N -3.00 -0.59 0.46 2.29 0.01 -1.26 -4.79 113.70 106.82 1lwm s SER 26 Ca 0.18 0.48 0.23 0.00 1.31 0.00 0.00 55.95 58.15 1lwm s SER 26 Cb -0.03 0.53 1.23 0.00 0.21 0.00 0.00 66.02 67.96 1lwm s SER 26 CO 0.09 -0.68 1.85 0.00 0.41 0.00 0.00 173.24 174.91 1lwm h ALA 27 N 2.83 2.45 0.01 1.44 0.00 -1.85 0.37 119.26 124.51 1lwm h ALA 27 Ca -0.29 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 1lwm h ALA 27 Cb 1.18 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1lwm h ALA 27 CO 0.39 -0.76 -0.87 -0.92 0.00 0.00 0.00 179.25 177.09 1lwm h TYR 28 N 0.26 0.21 -0.26 0.00 5.03 -1.95 -2.69 116.97 117.56 1lwm h TYR 28 Ca 0.49 -0.12 -0.10 0.00 2.58 0.00 0.00 58.73 61.58 1lwm h TYR 28 Cb 1.46 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.70 1lwm h TYR 28 CO -0.00 0.94 -0.28 1.98 -1.32 0.00 0.00 178.16 179.48 1lwm h MET 29 N 0.07 0.52 0.20 1.82 4.05 -0.67 0.27 114.93 121.18 1lwm h MET 29 Ca -0.04 -0.21 -0.01 0.00 -0.28 0.00 0.00 59.70 59.17 1lwm h MET 29 Cb 1.51 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.29 1lwm h MET 29 CO 0.13 0.75 -0.09 0.74 0.23 0.00 0.00 176.91 178.66 1lwm h PHE 30 N 0.45 -0.24 0.00 1.39 0.04 -1.34 0.12 116.94 117.36 1lwm h PHE 30 Ca 0.06 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1lwm h PHE 30 Cb 0.72 0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.95 1lwm h PHE 30 CO 0.03 0.13 -0.03 0.35 -0.60 0.00 0.00 178.31 178.19 1lwm h PHE 31 N -0.93 0.00 0.01 -0.55 3.04 -1.51 -2.01 116.94 115.00 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 0.49 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.95 1lwm h PHE 31 CO 0.07 0.03 -1.61 0.00 -2.02 0.00 0.00 178.31 174.78 1lwm h ALA 32 N 1.97 0.68 -0.06 2.41 0.00 -0.46 -2.05 119.26 121.76 1lwm h ALA 32 Ca -0.00 -1.37 -0.10 0.00 0.00 0.00 0.00 54.91 53.44 1lwm h ALA 32 Cb 0.23 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1lwm h ALA 32 CO 0.00 1.51 -0.45 -0.91 0.00 0.00 0.00 179.25 179.41 1lwm h ASN 33 N 0.01 0.14 0.07 0.00 -0.26 -0.04 -0.23 115.58 115.27 1lwm h ASN 33 Ca -0.25 -0.06 -0.34 0.00 -0.56 0.00 0.00 56.30 55.09 1lwm h ASN 33 Cb 1.98 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 39.17 1lwm h ASN 33 CO 0.09 0.57 -1.91 1.21 -1.06 0.00 0.00 177.43 176.33 1lwm n GLU 34 N -4.00 0.69 0.21 0.81 4.07 -0.97 -4.09 120.64 117.36 1lwm n GLU 34 Ca -0.02 0.33 0.05 0.00 -0.06 0.00 0.00 57.16 57.46 1lwm n GLU 34 Cb 0.49 -1.68 0.45 0.00 -0.06 0.00 0.00 31.44 30.64 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 -0.27 0.00 0.63 4.31 -0.26 -1.42 -1.84 115.58 116.73 1lwm h ASN 35 Ca -0.44 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.27 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 -0.04 0.29 -0.12 0.08 -1.06 0.00 0.00 177.43 176.59 1lwm h ARG 36 N 0.00 0.00 0.02 0.81 0.11 -1.20 -1.95 114.38 112.17 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 0.56 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.60 1lwm h ARG 36 CO 0.04 0.12 -1.63 0.22 0.10 0.00 0.00 179.97 178.81 1lwm h ASP 37 N 0.00 0.07 -0.51 0.08 1.82 -1.50 -1.85 116.42 114.52 1lwm h ASP 37 Ca -0.00 -0.13 -0.10 0.00 -0.39 0.00 0.00 57.03 56.41 1lwm h ASP 37 Cb 0.46 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 1lwm h ASP 37 CO 0.02 1.11 -0.07 0.40 -1.61 0.00 0.00 179.24 179.08 1lwm h ILE 38 N 0.01 1.27 0.21 2.25 2.04 -1.02 0.30 117.51 122.57 1lwm h ILE 38 Ca -0.26 -1.21 -0.29 0.00 1.00 0.00 0.00 64.86 64.10 1lwm h ILE 38 Cb 1.98 1.00 0.03 0.00 -0.74 0.00 0.00 36.82 39.10 1lwm h ILE 38 CO 0.09 0.42 -1.32 0.58 0.00 0.00 0.00 178.15 177.93 1lwm h VAL 39 N 0.82 1.31 0.00 1.67 2.07 -1.50 -2.60 116.25 118.01 1lwm h VAL 39 Ca 0.14 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.01 1lwm h VAL 39 Cb 0.63 3.06 -0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1lwm h VAL 39 CO 0.04 0.78 -0.08 0.03 0.02 0.00 0.00 177.57 178.36 1lwm h ARG 40 N -0.02 0.00 0.24 1.57 3.08 -1.33 0.23 114.38 118.15 1lwm h ARG 40 Ca -0.24 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.47 1lwm h ARG 40 Cb 2.00 0.00 0.03 0.00 0.08 0.00 0.00 29.97 32.09 1lwm h ARG 40 CO 0.23 0.08 -1.56 1.03 -1.07 0.00 0.00 179.97 178.68 1lwm h SER 41 N 0.00 0.79 1.32 7.04 0.87 -0.42 -1.64 113.55 121.51 1lwm h SER 41 Ca -0.00 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 1lwm h SER 41 Cb 0.44 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1lwm h SER 41 CO 0.01 1.74 -0.07 -0.62 -0.53 0.00 0.00 176.83 177.36 1lwm n GLU 42 N -3.69 0.22 -2.96 2.24 1.02 -0.98 -4.33 120.64 112.16 1lwm n GLU 42 Ca -0.19 0.16 -0.15 0.00 -0.02 0.00 0.00 57.16 56.96 1lwm n GLU 42 Cb 1.10 -1.74 -0.01 0.00 -0.02 0.00 0.00 31.44 30.77 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 -2.11 -1.69 0.00 1.62 3.02 0.78 -4.97 115.26 111.92 1lwm n ASN 43 Ca 0.06 -2.97 0.06 0.00 -0.03 0.00 0.00 54.58 51.70 1lwm n ASN 43 Cb 0.41 0.76 0.32 0.00 -0.61 0.00 0.00 39.78 40.66 1lwm n ASN 43 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1lwm n PRO 44 N 1.81 0.14 0.06 3.52 -0.04 -0.62 -2.34 135.00 137.53 1lwm n PRO 44 Ca 0.16 0.19 -0.07 0.00 -0.04 0.00 0.00 63.50 63.75 1lwm n PRO 44 Cb 0.57 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 1lwm n PRO 44 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1lwm h ASP 45 N 0.00 0.00 -2.89 3.54 3.58 -1.93 -3.46 116.42 115.26 1lwm h ASP 45 Ca 0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 1lwm h ASP 45 Cb 0.15 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.23 1lwm h ASP 45 CO 0.00 0.99 -0.07 0.27 -2.88 0.00 0.00 179.24 177.55 1lwm s ILE 46 N -2.73 4.14 0.00 2.25 -4.36 -0.99 -5.12 121.20 114.39 1lwm s ILE 46 Ca 0.01 -0.40 0.00 0.00 -0.26 0.00 0.00 60.65 60.00 1lwm s ILE 46 Cb 0.10 -3.54 0.00 0.00 1.25 0.00 0.00 42.46 40.27 1lwm s ILE 46 CO 0.82 -0.40 0.00 0.35 0.24 0.00 0.00 174.94 175.95 1lwm n THR 47 N -2.11 0.00 0.32 8.37 -2.24 -1.26 -4.96 114.28 112.40 1lwm n THR 47 Ca 0.01 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.94 1lwm n THR 47 Cb 0.57 -0.03 0.77 0.00 -2.10 0.00 0.00 70.33 69.54 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 0.75 0.00 -1.19 4.78 3.57 -1.99 -1.65 116.94 121.20 1lwm h PHE 48 Ca 0.00 0.00 0.35 0.00 3.53 0.00 0.00 57.97 61.85 1lwm h PHE 48 Cb 0.00 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.64 1lwm h PHE 48 CO 0.00 0.00 0.78 0.78 -2.23 0.00 0.00 178.31 177.64 1lwm h GLY 49 N 0.00 1.07 0.00 2.40 0.00 -2.00 -1.76 103.07 102.78 1lwm h GLY 49 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1lwm h GLY 49 CO -0.00 -0.22 -0.72 0.61 0.00 0.00 0.00 176.54 176.21 1lwm n GLN 50 N -4.58 2.25 0.08 4.80 0.00 -0.71 -4.61 117.38 114.62 1lwm n GLN 50 Ca 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 57.17 1lwm n GLN 50 Cb 1.17 -0.86 -0.08 0.00 0.00 0.00 0.00 30.24 30.47 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 0.00 -0.39 2.07 -1.16 -0.14 116.25 117.61 1lwm h VAL 51 Ca 0.00 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1lwm h VAL 51 Cb 0.35 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1lwm h VAL 51 CO 0.00 0.11 -0.14 1.23 0.02 0.00 0.00 177.57 178.79 1lwm h GLY 52 N -0.40 0.00 2.00 2.17 0.00 -1.56 -0.88 103.07 104.40 1lwm h GLY 52 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1lwm h GLY 52 CO 0.03 0.00 0.00 1.70 0.00 0.00 0.00 176.54 178.27 1lwm h LYS 53 N 0.00 0.00 0.22 4.80 1.63 -1.63 -1.84 116.57 119.75 1lwm h LYS 53 Ca -0.00 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.48 1lwm h LYS 53 Cb 0.27 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 31.93 1lwm h LYS 53 CO 0.02 0.00 -1.41 0.87 -3.45 0.00 0.00 179.45 175.48 1lwm h LYS 54 N 0.00 0.50 0.00 1.90 1.79 0.37 -1.93 116.57 119.19 1lwm h LYS 54 Ca 0.00 -0.83 -0.14 0.00 -2.18 0.00 0.00 60.65 57.50 1lwm h LYS 54 Cb 0.93 0.30 -0.02 0.00 -1.58 0.00 0.00 32.23 31.87 1lwm h LYS 54 CO 0.00 1.39 -0.68 -0.07 -1.08 0.00 0.00 179.45 179.01 1lwm h LEU 55 N 0.14 0.00 -0.08 2.94 3.38 -1.40 -1.62 115.31 118.67 1lwm h LEU 55 Ca -0.23 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.52 1lwm h LEU 55 Cb 2.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.85 1lwm h LEU 55 CO 0.26 0.68 -1.03 1.23 0.09 0.00 0.00 178.44 179.68 1lwm h GLY 56 N 2.84 0.23 1.68 0.83 0.00 -1.39 -1.47 103.07 105.78 1lwm h GLY 56 Ca -0.01 -0.49 -0.26 0.00 0.00 0.00 0.00 47.33 46.57 1lwm h GLY 56 CO 0.09 0.43 -1.22 1.05 0.00 0.00 0.00 176.54 176.89 1lwm h GLU 57 N 0.09 0.19 -0.04 4.80 4.11 -1.36 -1.98 114.58 120.38 1lwm h GLU 57 Ca -0.07 -0.33 -0.12 0.00 0.07 0.00 0.00 59.36 58.92 1lwm h GLU 57 Cb 1.72 0.12 0.01 0.00 0.50 0.00 0.00 28.75 31.09 1lwm h GLU 57 CO 0.16 1.13 -0.43 0.87 0.07 0.00 0.00 179.01 180.82 1lwm h LYS 58 N 0.05 0.37 -0.28 1.06 1.57 -1.36 -2.43 116.57 115.55 1lwm h LYS 58 Ca -0.11 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.28 1lwm h LYS 58 Cb 1.92 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.31 1lwm h LYS 58 CO 0.18 0.99 -0.03 2.35 -0.57 0.00 0.00 179.45 182.37 1lwm h TRP 59 N -0.14 0.57 -0.99 -1.35 2.91 -1.38 0.54 115.95 116.10 1lwm h TRP 59 Ca -0.04 -0.11 0.05 0.00 1.13 0.00 0.00 58.89 59.92 1lwm h TRP 59 Cb 1.11 -0.14 -0.06 0.00 -0.51 0.00 0.00 29.16 29.55 1lwm h TRP 59 CO 0.14 0.69 0.65 1.57 -1.03 0.00 0.00 178.44 180.46 1lwm h LYS 60 N 0.29 1.17 -0.02 2.65 2.10 -1.44 -0.09 116.57 121.24 1lwm h LYS 60 Ca 0.07 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1lwm h LYS 60 Cb 0.49 -0.27 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1lwm h LYS 60 CO 0.02 0.78 -0.04 0.00 -2.00 0.00 0.00 179.45 178.21 1lwm n ALA 61 N -2.37 2.64 -2.13 0.07 0.00 -0.91 -4.89 120.51 112.91 1lwm n ALA 61 Ca 0.14 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 1lwm n ALA 61 Cb 0.14 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.07 4.12 0.15 0.00 0.05 0.19 -4.91 118.68 116.21 1lwm s LEU 62 Ca 0.34 1.88 -0.22 0.00 0.05 0.00 0.00 54.13 56.18 1lwm s LEU 62 Cb 0.21 -3.53 -0.13 0.00 -2.05 0.00 0.00 46.19 40.68 1lwm s LEU 62 CO 0.35 -1.02 0.41 0.41 -0.55 0.00 0.00 176.35 175.95 1lwm n THR 63 N 5.83 1.49 0.28 5.48 -1.04 -1.26 -4.47 114.28 120.59 1lwm n THR 63 Ca 0.17 -0.37 0.14 0.00 -2.04 0.00 0.00 64.05 61.95 1lwm n THR 63 Cb 0.44 0.00 0.76 0.00 -1.82 0.00 0.00 70.33 69.72 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 0.82 0.00 -0.50 -2.82 0.11 -1.95 -1.46 132.00 126.20 1lwm h PRO 64 Ca -0.22 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.88 1lwm h PRO 64 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1lwm h PRO 64 CO 0.44 0.00 0.29 0.93 -0.21 0.00 0.00 178.00 179.46 1lwm h GLU 65 N 0.00 0.68 0.07 1.05 5.08 -2.00 0.18 114.58 119.63 1lwm h GLU 65 Ca 0.00 -0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 58.01 1lwm h GLU 65 Cb 0.47 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1lwm h GLU 65 CO 0.00 0.50 -1.50 0.93 -1.00 0.00 0.00 179.01 177.94 1lwm h GLU 66 N 0.66 0.15 0.00 2.33 4.39 -1.59 -3.29 114.58 117.24 1lwm h GLU 66 Ca 0.18 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1lwm h GLU 66 Cb 0.00 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1lwm h GLU 66 CO -0.03 0.96 -0.01 -0.22 -1.16 0.00 0.00 179.01 178.55 1lwm h LYS 67 N 0.04 0.00 0.46 2.33 3.11 -1.32 -2.77 116.57 118.42 1lwm h LYS 67 Ca -0.22 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.60 1lwm h LYS 67 Cb 1.97 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.21 1lwm h LYS 67 CO 0.13 0.01 -0.22 1.96 -2.81 0.00 0.00 179.45 178.53 1lwm h GLN 68 N 0.00 -0.60 -0.69 1.90 4.20 -0.71 -2.31 115.11 116.90 1lwm h GLN 68 Ca -0.00 0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.84 1lwm h GLN 68 Cb 0.40 0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.25 1lwm h GLN 68 CO 0.00 -0.40 0.34 -1.35 -0.67 0.00 0.00 178.83 176.76 1lwm h PRO 69 N -1.14 0.58 0.35 1.46 0.11 -1.67 -1.46 132.00 130.22 1lwm h PRO 69 Ca -0.06 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1lwm h PRO 69 Cb 0.47 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1lwm h PRO 69 CO 0.10 0.38 -0.23 1.88 -0.21 0.00 0.00 178.00 179.92 1lwm h TYR 70 N 0.60 -0.62 -0.97 0.65 0.05 -1.59 -1.49 116.97 113.59 1lwm h TYR 70 Ca 0.33 -0.00 0.14 0.00 0.05 0.00 0.00 58.73 59.25 1lwm h TYR 70 Cb 0.33 0.22 -0.08 0.00 1.01 0.00 0.00 36.73 38.21 1lwm h TYR 70 CO -0.11 -0.36 0.61 1.49 -1.05 0.00 0.00 178.16 178.75 1lwm h GLU 71 N -0.57 0.83 -0.23 4.88 4.81 -1.07 0.17 114.58 123.40 1lwm h GLU 71 Ca -0.03 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1lwm h GLU 71 Cb 0.48 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1lwm h GLU 71 CO 0.02 0.55 -0.03 0.00 -0.73 0.00 0.00 179.01 178.82 1lwm h ALA 72 N 1.58 1.52 -0.07 2.92 0.00 -0.73 -1.65 119.26 122.82 1lwm h ALA 72 Ca 0.50 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 1lwm h ALA 72 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1lwm h ALA 72 CO -0.27 0.35 -0.57 -0.22 0.00 0.00 0.00 179.25 178.54 1lwm h LYS 73 N 0.34 0.21 -0.01 0.00 3.64 0.32 -2.27 116.57 118.80 1lwm h LYS 73 Ca 0.08 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 1lwm h LYS 73 Cb 0.28 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1lwm h LYS 73 CO 0.01 0.72 -0.57 0.00 -2.27 0.00 0.00 179.45 177.34 1lwm h ALA 74 N 1.26 1.04 -0.14 5.00 0.00 -0.46 -1.71 119.26 124.25 1lwm h ALA 74 Ca -0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 1lwm h ALA 74 Cb 1.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1lwm h ALA 74 CO 0.09 0.71 -0.71 1.96 0.00 0.00 0.00 179.25 181.30 1lwm h GLN 75 N 0.03 0.62 -0.11 0.00 7.50 -1.09 0.26 115.11 122.31 1lwm h GLN 75 Ca -0.00 -0.48 -0.11 0.00 0.50 0.00 0.00 58.65 58.55 1lwm h GLN 75 Cb 1.01 0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.62 1lwm h GLN 75 CO 0.08 1.10 -0.44 0.00 -1.50 0.00 0.00 178.83 178.06 1lwm h ALA 76 N 0.78 1.05 0.00 3.87 0.00 -1.26 -2.38 119.26 121.30 1lwm h ALA 76 Ca -0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1lwm h ALA 76 Cb 1.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1lwm h ALA 76 CO 0.14 0.62 -0.52 -0.44 0.00 0.00 0.00 179.25 179.04 1lwm h ASP 77 N 0.22 0.00 0.19 0.00 3.32 -1.21 -3.04 116.42 115.89 1lwm h ASP 77 Ca 0.02 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 1lwm h ASP 77 Cb 0.87 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1lwm h ASP 77 CO 0.07 0.14 -0.48 0.50 -1.72 0.00 0.00 179.24 177.75 1lwm h LYS 78 N 0.00 0.35 0.00 3.56 1.63 -0.08 0.30 116.57 122.32 1lwm h LYS 78 Ca -0.02 -0.19 -0.19 0.00 -0.85 0.00 0.00 60.65 59.40 1lwm h LYS 78 Cb 1.12 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.74 1lwm h LYS 78 CO 0.02 0.76 -0.88 0.87 -3.45 0.00 0.00 179.45 176.76 1lwm h LYS 79 N 0.28 0.00 0.00 1.90 1.57 -1.47 -2.58 116.57 116.27 1lwm h LYS 79 Ca 0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1lwm h LYS 79 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1lwm h LYS 79 CO 0.08 0.88 -0.55 0.00 -0.57 0.00 0.00 179.45 179.29 1lwm h ARG 80 N 0.00 0.00 0.11 3.15 2.47 -1.39 -1.04 114.38 117.68 1lwm h ARG 80 Ca -0.01 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.42 1lwm h ARG 80 Cb 1.58 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.93 1lwm h ARG 80 CO 0.11 0.55 -1.22 -0.92 0.56 0.00 0.00 179.97 179.06 1lwm h TYR 81 N 0.00 1.02 0.00 3.04 3.20 -0.91 -1.52 116.97 121.80 1lwm h TYR 81 Ca -0.01 -0.63 -0.13 0.00 3.14 0.00 0.00 58.73 61.10 1lwm h TYR 81 Cb 1.35 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 1lwm h TYR 81 CO 0.00 1.47 -0.64 1.05 -1.64 0.00 0.00 178.16 178.40 1lwm h GLU 82 N 0.27 0.00 0.04 1.82 -0.00 -1.51 -2.18 114.58 113.02 1lwm h GLU 82 Ca -0.18 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 59.03 1lwm h GLU 82 Cb 1.89 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.65 1lwm h GLU 82 CO 0.23 0.64 -0.59 0.66 -0.00 0.00 0.00 179.01 179.95 1lwm h SER 83 N 0.00 0.46 -0.36 3.06 4.64 -1.24 -2.12 113.55 117.98 1lwm h SER 83 Ca -0.01 -0.82 -0.13 0.00 -0.47 0.00 0.00 61.79 60.36 1lwm h SER 83 Cb 1.48 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1lwm h SER 83 CO 0.08 1.23 -0.27 -0.08 -0.87 0.00 0.00 176.83 176.92 1lwm h GLU 84 N -0.26 0.88 -0.57 4.77 4.81 -1.36 -2.27 114.58 120.59 1lwm h GLU 84 Ca -0.08 -0.40 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 1lwm h GLU 84 Cb 1.35 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1lwm h GLU 84 CO 0.12 1.04 -0.01 -0.22 -0.73 0.00 0.00 179.01 179.21 1lwm h LYS 85 N 0.75 1.01 -0.66 1.92 3.64 -1.48 -1.55 116.57 120.20 1lwm h LYS 85 Ca 0.09 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 1lwm h LYS 85 Cb 0.83 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1lwm h LYS 85 CO 0.07 1.01 0.30 1.49 -2.27 0.00 0.00 179.45 180.05 1lwm h GLU 86 N 0.89 0.96 -0.60 1.90 4.81 -1.27 -2.38 114.58 118.90 1lwm h GLU 86 Ca 0.16 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1lwm h GLU 86 Cb 0.55 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1lwm h GLU 86 CO 0.03 0.78 0.02 -0.07 -0.73 0.00 0.00 179.01 179.04 1lwm h LEU 87 N 0.92 1.00 0.01 1.64 4.07 -1.25 -2.23 115.31 119.47 1lwm h LEU 87 Ca 0.23 -0.27 0.02 0.00 0.08 0.00 0.00 57.88 57.94 1lwm h LEU 87 Cb 0.14 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1lwm h LEU 87 CO -0.03 1.04 -0.12 0.22 -1.08 0.00 0.00 178.44 178.47 1lwm h TYR 88 N 0.95 -0.30 -0.90 1.13 5.03 -0.93 0.16 116.97 122.11 1lwm h TYR 88 Ca 0.17 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.49 1lwm h TYR 88 Cb 0.52 0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.89 1lwm h TYR 88 CO 0.03 -0.18 0.54 -2.95 -1.32 0.00 0.00 178.16 174.29 1lwm h ASN 89 N -0.20 1.07 0.91 -2.11 -1.07 -1.36 -1.20 115.58 111.62 1lwm h ASN 89 Ca 0.04 -0.07 -0.02 0.00 0.07 0.00 0.00 56.30 56.33 1lwm h ASN 89 Cb 0.25 -0.27 -0.00 0.00 -2.07 0.00 0.00 38.32 36.23 1lwm h ASN 89 CO -0.11 0.82 -0.08 0.00 0.07 0.00 0.00 177.43 178.13 1lwm h ALA 90 N 1.30 1.03 0.18 4.14 0.00 -0.93 -2.40 119.26 122.57 1lwm h ALA 90 Ca 0.32 -0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.87 1lwm h ALA 90 Cb -0.05 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.75 1lwm h ALA 90 CO -0.06 0.10 -1.23 1.15 0.00 0.00 0.00 179.25 179.21 1lwm h THR 91 N 0.00 1.34 -0.27 0.00 2.02 0.46 -3.33 112.91 113.14 1lwm h THR 91 Ca -0.00 -2.56 -0.07 0.00 0.77 0.00 0.00 66.41 64.55 1lwm h THR 91 Cb 0.55 2.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.92 1lwm h THR 91 CO 0.01 0.76 -0.09 -0.07 0.37 0.00 0.00 175.52 176.50 1lwm h LEU 92 N 0.06 0.54 -0.33 2.58 4.07 -1.20 -3.51 115.31 117.52 1lwm h LEU 92 Ca -0.20 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.37 1lwm h LEU 92 Cb 1.94 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 43.54 1lwm h LEU 92 CO 0.23 0.80 0.00 0.00 -1.08 0.00 0.00 178.44 178.39