#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwl n VAL 3 N 0.00 0.00 -2.14 3.53 0.31 -1.26 -5.01 118.33 113.76 1gwl n VAL 3 Ca 0.00 -0.25 -0.41 0.00 -0.01 0.00 0.00 64.34 63.67 1gwl n VAL 3 Cb 0.00 0.80 -0.03 0.00 -0.91 0.00 0.00 33.84 33.71 1gwl n VAL 3 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1gwl s ARG 4 N -2.20 4.35 0.34 5.55 3.00 -1.26 -4.98 118.95 123.76 1gwl s ARG 4 Ca 0.02 2.16 0.08 0.00 -1.00 0.00 0.00 55.73 56.99 1gwl s ARG 4 Cb 0.08 -3.13 -0.03 0.00 0.00 0.00 0.00 34.95 31.87 1gwl s ARG 4 CO 0.44 -0.26 0.29 0.00 0.00 0.00 0.00 175.30 175.76 1gwl s ALA 5 N -0.35 3.83 -0.27 6.12 0.00 -1.26 -4.94 121.76 124.88 1gwl s ALA 5 Ca 0.55 -1.68 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 1gwl s ALA 5 Cb -0.39 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 1gwl s ALA 5 CO 0.44 -0.00 0.17 0.99 0.00 0.00 0.00 175.76 177.36 1gwl s THR 6 N -2.32 5.22 -0.28 0.00 2.01 -1.26 -4.96 115.64 114.05 1gwl s THR 6 Ca 0.41 0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.45 1gwl s THR 6 Cb -0.05 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 1gwl s THR 6 CO 0.26 0.28 0.14 -0.31 -0.69 0.00 0.00 174.62 174.30 1gwl s TYR 7 N 1.61 3.16 -0.33 4.92 1.51 -1.26 -2.06 117.35 124.90 1gwl s TYR 7 Ca 0.07 -0.30 -0.10 0.00 -1.01 0.00 0.00 57.07 55.73 1gwl s TYR 7 Cb -0.15 -2.33 0.00 0.00 -0.11 0.00 0.00 41.96 39.37 1gwl s TYR 7 CO 0.09 -0.33 0.17 0.99 -1.11 0.00 0.00 175.55 175.36 1gwl s THR 8 N 1.66 4.61 -0.39 -0.71 2.01 0.24 -4.97 115.64 118.08 1gwl s THR 8 Ca 0.06 -0.57 -0.27 0.00 0.31 0.00 0.00 61.69 61.22 1gwl s THR 8 Cb -0.16 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 68.94 1gwl s THR 8 CO 0.07 -0.04 0.98 -0.69 -0.69 0.00 0.00 174.62 174.25 1gwl s VAL 9 N 1.59 4.50 -0.18 3.82 1.01 -1.26 -1.23 120.40 128.65 1gwl s VAL 9 Ca 0.04 1.20 -0.23 0.00 0.00 0.00 0.00 61.98 62.99 1gwl s VAL 9 Cb -0.18 -4.40 -0.22 0.00 0.00 0.00 0.00 36.38 31.58 1gwl s VAL 9 CO 0.06 -0.65 0.40 0.40 0.00 0.00 0.00 175.10 175.31 1gwl h ILE 10 N 5.92 1.16 -2.36 2.22 2.04 -1.47 -3.48 117.51 121.53 1gwl h ILE 10 Ca -0.23 -2.25 -0.08 0.00 1.00 0.00 0.00 64.86 63.30 1gwl h ILE 10 Cb 1.07 2.59 -0.19 0.00 -0.74 0.00 0.00 36.82 39.55 1gwl h ILE 10 CO 1.02 0.44 0.03 0.72 0.00 0.00 0.00 178.15 180.35 1gwl s PHE 11 N -2.34 -0.49 0.00 1.37 -0.71 -1.06 -4.68 117.98 110.07 1gwl s PHE 11 Ca -0.25 0.84 0.00 0.00 -1.04 0.00 0.00 56.93 56.47 1gwl s PHE 11 Cb 0.03 0.30 0.00 0.00 -1.21 0.00 0.00 43.02 42.14 1gwl s PHE 11 CO 0.64 -0.53 0.00 1.17 -1.34 0.00 0.00 175.22 175.16 1gwl n LYS 12 N 1.06 0.00 -3.19 1.99 4.81 -1.26 -1.39 118.16 120.17 1gwl n LYS 12 Ca -0.20 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 56.79 1gwl n LYS 12 Cb 0.57 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.57 1gwl n LYS 12 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1gwl s ASN 13 N -0.86 6.19 0.06 3.14 -0.87 -1.26 -1.96 114.94 119.38 1gwl s ASN 13 Ca 0.00 -1.60 -0.31 0.00 -1.57 0.00 0.00 52.86 49.39 1gwl s ASN 13 Cb 0.00 -2.26 -0.06 0.00 -0.02 0.00 0.00 41.25 38.91 1gwl s ASN 13 CO 0.00 -1.01 1.22 0.00 -2.57 0.00 0.00 177.10 174.75 1gwl s ALA 14 N 2.22 3.42 -0.03 0.60 0.00 0.18 -4.83 121.76 123.33 1gwl s ALA 14 Ca 0.08 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1gwl s ALA 14 Cb -0.26 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.40 1gwl s ALA 14 CO 0.05 -0.48 0.93 0.43 0.00 0.00 0.00 175.76 176.69 1gwl n SER 15 N 4.05 1.88 -2.59 0.00 7.64 -1.26 -3.89 113.62 119.45 1gwl n SER 15 Ca 0.09 -1.85 0.02 0.00 1.01 0.00 0.00 58.87 58.14 1gwl n SER 15 Cb 0.46 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.66 1gwl n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gwl n GLY 16 N -0.40 0.27 3.79 0.23 0.00 -1.26 -4.93 105.19 102.89 1gwl n GLY 16 Ca 0.00 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1gwl n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gwl s LEU 17 N 0.00 3.78 0.53 0.99 1.43 -1.26 -4.99 118.68 119.16 1gwl s LEU 17 Ca 0.17 2.04 -0.22 0.00 -1.03 0.00 0.00 54.13 55.09 1gwl s LEU 17 Cb -0.00 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.59 1gwl s LEU 17 CO -0.01 -1.02 1.35 -2.65 0.23 0.00 0.00 176.35 174.25 1gwl n PRO 18 N -1.18 1.73 -1.73 1.29 -0.02 -1.26 -4.93 135.00 128.90 1gwl n PRO 18 Ca 0.10 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 1gwl n PRO 18 Cb 0.52 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1gwl n PRO 18 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1gwl n ASN 19 N -0.84 3.63 -0.25 2.55 5.15 -1.26 -2.23 115.26 122.01 1gwl n ASN 19 Ca 0.10 1.15 -0.03 0.00 -0.60 0.00 0.00 54.58 55.19 1gwl n ASN 19 Cb 0.44 -1.56 -0.01 0.00 -0.53 0.00 0.00 39.78 38.12 1gwl n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1gwl n GLY 20 N 2.14 0.62 3.28 8.20 0.00 -1.26 -5.04 105.19 113.12 1gwl n GLY 20 Ca 0.09 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 1gwl n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gwl s TYR 21 N -2.00 1.98 0.29 1.61 1.51 -0.95 -1.35 117.35 118.45 1gwl s TYR 21 Ca 0.00 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.75 1gwl s TYR 21 Cb 0.00 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 1gwl s TYR 21 CO 0.00 0.09 0.16 -0.51 -1.11 0.00 0.00 175.55 174.18 1gwl s ASP 22 N -1.11 5.12 -0.36 2.29 1.11 -0.26 -4.74 116.67 118.72 1gwl s ASP 22 Ca 0.09 -0.47 -0.11 0.00 0.18 0.00 0.00 52.55 52.23 1gwl s ASP 22 Cb -0.09 -1.08 0.01 0.00 1.07 0.00 0.00 42.92 42.83 1gwl s ASP 22 CO 0.02 -0.13 0.21 0.21 1.18 0.00 0.00 175.17 176.65 1gwl s ASN 23 N -3.84 5.75 -0.27 0.27 2.47 -1.26 -1.41 114.94 116.66 1gwl s ASN 23 Ca 0.35 -0.82 0.12 0.00 0.42 0.00 0.00 52.86 52.92 1gwl s ASN 23 Cb -0.06 -2.04 0.77 0.00 -1.45 0.00 0.00 41.25 38.47 1gwl s ASN 23 CO 0.24 -0.33 1.75 0.79 -3.72 0.00 0.00 177.10 175.82 1gwl n TRP 24 N 5.02 2.21 -0.88 0.43 7.02 0.15 -4.95 117.44 126.44 1gwl n TRP 24 Ca -0.12 -0.90 -0.28 0.00 -1.02 0.00 0.00 57.50 55.17 1gwl n TRP 24 Cb 0.47 -0.58 0.21 0.00 -2.42 0.00 0.00 31.31 29.00 1gwl n TRP 24 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1gwl s GLY 25 N -0.84 1.55 0.02 6.99 0.00 -1.25 -4.63 107.32 109.16 1gwl s GLY 25 Ca 0.53 -0.28 -0.07 0.00 0.00 0.00 0.00 44.72 44.90 1gwl s GLY 25 CO 0.15 0.39 0.13 0.66 0.00 0.00 0.00 173.10 174.43 1gwl s TRP 26 N -2.74 0.10 -1.80 1.90 -2.14 -0.69 -4.91 118.94 108.66 1gwl s TRP 26 Ca 0.67 -0.28 0.00 0.00 2.66 0.00 0.00 56.10 59.15 1gwl s TRP 26 Cb -0.22 -0.08 0.00 0.00 -3.10 0.00 0.00 33.47 30.08 1gwl s TRP 26 CO 0.61 -0.34 0.00 0.41 -2.66 0.00 0.00 176.95 174.97 1gwl n GLY 27 N 1.10 0.78 3.49 3.67 0.00 -1.26 -1.53 105.19 111.44 1gwl n GLY 27 Ca -0.21 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 1gwl n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwl s THR 29 N -3.96 3.76 -0.17 0.00 2.01 -0.42 -4.96 115.64 111.89 1gwl s THR 29 Ca 0.17 -0.42 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 1gwl s THR 29 Cb 0.01 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1gwl s THR 29 CO 0.03 0.52 0.10 -0.22 -0.69 0.00 0.00 174.62 174.36 1gwl s LEU 30 N 0.09 4.08 0.00 4.42 2.96 -1.26 -0.77 118.68 128.20 1gwl s LEU 30 Ca -0.01 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 1gwl s LEU 30 Cb -0.14 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1gwl s LEU 30 CO 0.03 0.23 0.30 -1.54 -1.32 0.00 0.00 176.35 174.04 1gwl n SER 31 N 3.19 -0.78 -4.04 3.68 3.41 -0.62 -5.01 113.62 113.45 1gwl n SER 31 Ca -0.17 -2.78 -0.12 0.00 -0.26 0.00 0.00 58.87 55.54 1gwl n SER 31 Cb 0.53 1.66 -0.11 0.00 -0.26 0.00 0.00 64.21 66.02 1gwl n SER 31 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1gwl s TYR 32 N -3.17 0.55 -0.27 7.33 2.02 -1.26 -0.26 117.35 122.30 1gwl s TYR 32 Ca 0.31 -0.54 -0.10 0.00 -0.37 0.00 0.00 57.07 56.37 1gwl s TYR 32 Cb 0.01 -0.34 0.11 0.00 -0.40 0.00 0.00 41.96 41.34 1gwl s TYR 32 CO 0.22 -0.13 0.59 -0.47 -1.57 0.00 0.00 175.55 174.20 1gwl s TYR 33 N -1.55 -1.14 -1.43 2.71 6.14 -0.74 -4.97 117.35 116.38 1gwl s TYR 33 Ca -0.11 2.06 0.00 0.00 0.64 0.00 0.00 57.07 59.67 1gwl s TYR 33 Cb -0.09 0.64 0.00 0.00 0.42 0.00 0.00 41.96 42.93 1gwl s TYR 33 CO -0.00 -0.59 0.00 0.41 0.64 0.00 0.00 175.55 176.01 1gwl n GLY 34 N 5.19 -0.44 0.00 8.97 0.00 -1.26 -1.59 105.19 116.05 1gwl n GLY 34 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1gwl n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwl n GLY 35 N -0.89 0.40 3.83 -0.02 0.00 -1.25 -4.98 105.19 102.27 1gwl n GLY 35 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1gwl n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwl s ALA 36 N -2.00 3.77 -0.14 4.61 0.00 -0.62 -0.64 121.76 126.73 1gwl s ALA 36 Ca 0.00 -0.67 -0.27 0.00 0.00 0.00 0.00 51.96 51.02 1gwl s ALA 36 Cb 0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 1gwl s ALA 36 CO 0.00 0.54 0.89 1.41 0.00 0.00 0.00 175.76 178.60 1gwl s MET 37 N -0.78 4.35 -0.21 0.00 1.75 -0.30 -1.78 119.30 122.33 1gwl s MET 37 Ca 0.13 1.15 -0.01 0.00 -1.25 0.00 0.00 55.69 55.71 1gwl s MET 37 Cb -0.12 -3.56 0.01 0.00 2.84 0.00 0.00 34.83 34.00 1gwl s MET 37 CO 0.03 -0.31 -0.11 0.42 -0.65 0.00 0.00 175.02 174.40 1gwl s ILE 38 N 2.04 2.74 -0.25 10.11 1.01 0.64 -1.05 121.20 136.44 1gwl s ILE 38 Ca 0.42 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 60.19 1gwl s ILE 38 Cb -0.17 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1gwl s ILE 38 CO 0.15 0.45 0.28 -0.63 0.00 0.00 0.00 174.94 175.19 1gwl s ILE 39 N 1.38 5.26 -0.56 2.92 1.01 0.21 -1.59 121.20 129.82 1gwl s ILE 39 Ca 0.05 0.41 -0.00 0.00 0.00 0.00 0.00 60.65 61.11 1gwl s ILE 39 Cb -0.14 -3.62 0.14 0.00 0.01 0.00 0.00 42.46 38.86 1gwl s ILE 39 CO -0.08 0.24 0.35 0.20 0.00 0.00 0.00 174.94 175.65 1gwl s ASN 40 N 1.41 4.90 0.33 3.58 0.01 0.05 -2.17 114.94 123.05 1gwl s ASN 40 Ca 0.12 -2.84 -0.22 0.00 -0.71 0.00 0.00 52.86 49.21 1gwl s ASN 40 Cb -0.15 -1.77 -0.10 0.00 0.41 0.00 0.00 41.25 39.64 1gwl s ASN 40 CO 0.08 -0.33 0.87 -2.16 -1.51 0.00 0.00 177.10 174.06 1gwl s PRO 41 N -0.04 4.35 0.15 -0.60 0.04 -1.26 -1.31 135.00 136.33 1gwl s PRO 41 Ca 0.16 1.09 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 1gwl s PRO 41 Cb -0.22 -2.61 -0.07 0.00 0.04 0.00 0.00 34.50 31.63 1gwl s PRO 41 CO -0.02 0.21 0.91 -1.14 0.04 0.00 0.00 177.00 176.99 1gwl s GLN 42 N -2.44 4.71 0.21 4.56 0.74 -0.56 -4.42 119.66 122.46 1gwl s GLN 42 Ca 0.52 1.38 -0.32 0.00 0.05 0.00 0.00 55.36 56.99 1gwl s GLN 42 Cb -0.15 -3.33 -0.14 0.00 1.10 0.00 0.00 33.01 30.49 1gwl s GLN 42 CO 0.20 0.36 1.35 -1.91 -0.55 0.00 0.00 175.29 174.73 1gwl n GLU 43 N 2.25 1.78 0.00 1.67 2.13 -1.26 -2.25 120.64 124.96 1gwl n GLU 43 Ca -0.01 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1gwl n GLU 43 Cb 0.49 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.94 1gwl n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gwl n GLY 44 N 2.19 1.99 0.01 8.31 0.00 0.63 -4.90 105.19 113.42 1gwl n GLY 44 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1gwl n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gwl n LYS 45 N -2.00 0.12 -3.95 1.61 4.76 -0.95 -4.98 118.16 112.77 1gwl n LYS 45 Ca 0.00 -0.01 -0.26 0.00 -2.87 0.00 0.00 58.31 55.17 1gwl n LYS 45 Cb 0.00 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 31.64 1gwl n LYS 45 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1gwl n TYR 46 N -1.68 -1.68 -1.31 2.13 4.01 -1.26 -4.85 117.16 112.51 1gwl n TYR 46 Ca 0.03 0.76 -0.32 0.00 -0.16 0.00 0.00 57.90 58.21 1gwl n TYR 46 Cb 0.38 -3.75 0.10 0.00 -0.31 0.00 0.00 39.34 35.75 1gwl n TYR 46 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1gwl s GLY 47 N -4.31 1.97 -0.03 2.72 0.00 -1.26 -4.57 107.32 101.85 1gwl s GLY 47 Ca 0.05 0.56 -0.23 0.00 0.00 0.00 0.00 44.72 45.10 1gwl s GLY 47 CO 0.88 0.94 0.49 0.00 0.00 0.00 0.00 173.10 175.41 1gwl s ALA 48 N -2.47 -1.26 0.18 3.20 0.00 -0.58 -0.55 121.76 120.28 1gwl s ALA 48 Ca 0.67 0.79 -0.21 0.00 0.00 0.00 0.00 51.96 53.21 1gwl s ALA 48 Cb -0.22 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 22.88 1gwl s ALA 48 CO 0.50 -0.32 0.70 0.54 0.00 0.00 0.00 175.76 177.18 1gwl s VAL 49 N -1.32 4.56 -0.32 0.00 0.11 -0.92 -1.71 120.40 120.80 1gwl s VAL 49 Ca -0.12 1.37 -0.01 0.00 -2.93 0.00 0.00 61.98 60.28 1gwl s VAL 49 Cb -0.03 -3.94 0.10 0.00 -1.53 0.00 0.00 36.38 30.99 1gwl s VAL 49 CO 0.07 0.36 0.12 -0.55 -3.33 0.00 0.00 175.10 171.76 1gwl s SER 50 N -1.42 3.85 -0.33 3.54 0.15 -1.26 -1.84 113.70 116.39 1gwl s SER 50 Ca 0.38 -1.66 -0.29 0.00 0.70 0.00 0.00 55.95 55.08 1gwl s SER 50 Cb -0.19 -0.75 0.01 0.00 -1.71 0.00 0.00 66.02 63.39 1gwl s SER 50 CO 0.22 -0.41 1.14 -0.76 1.20 0.00 0.00 173.24 174.64 1gwl s LEU 51 N 1.61 3.89 -0.32 3.45 1.43 0.20 -0.67 118.68 128.26 1gwl s LEU 51 Ca 0.11 1.03 -0.09 0.00 -1.03 0.00 0.00 54.13 54.14 1gwl s LEU 51 Cb -0.18 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.50 1gwl s LEU 51 CO -0.25 -0.98 0.14 -0.75 0.23 0.00 0.00 176.35 174.75 1gwl s LYS 52 N 3.88 3.15 -0.16 1.70 2.47 -0.50 -1.44 119.74 128.86 1gwl s LYS 52 Ca 0.49 -0.84 -0.29 0.00 -1.56 0.00 0.00 55.97 53.77 1gwl s LYS 52 Cb -0.13 -3.54 -0.03 0.00 -1.46 0.00 0.00 37.83 32.67 1gwl s LYS 52 CO 0.19 -0.48 1.47 0.50 0.16 0.00 0.00 175.35 177.19 1gwl s ARG 53 N 1.56 4.08 0.19 4.03 3.52 -0.09 -1.10 118.95 131.15 1gwl s ARG 53 Ca 0.03 1.78 -0.05 0.00 -0.13 0.00 0.00 55.73 57.37 1gwl s ARG 53 Cb -0.18 -3.91 0.13 0.00 -1.56 0.00 0.00 34.95 29.43 1gwl s ARG 53 CO 0.05 -0.93 1.57 -0.91 -0.81 0.00 0.00 175.30 174.27 1gwl h ASN 54 N 9.30 0.78 -3.36 -2.12 -0.26 -1.54 -3.43 115.58 114.95 1gwl h ASN 54 Ca -0.32 -0.33 -0.53 0.00 -0.56 0.00 0.00 56.30 54.56 1gwl h ASN 54 Cb 1.14 -0.22 -0.34 0.00 -1.06 0.00 0.00 38.32 37.84 1gwl h ASN 54 CO 0.98 1.05 -0.82 -0.44 -1.06 0.00 0.00 177.43 177.14 1gwl s SER 55 N -6.82 1.94 0.00 5.81 0.01 -1.26 -5.09 113.70 108.29 1gwl s SER 55 Ca -0.09 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1gwl s SER 55 Cb 0.12 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.48 1gwl s SER 55 CO 0.85 0.01 0.00 0.61 0.41 0.00 0.00 173.24 175.12 1gwl n GLY 56 N 4.03 -0.71 3.20 3.44 0.00 -1.26 -5.07 105.19 108.82 1gwl n GLY 56 Ca -0.21 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 1gwl n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gwl s SER 57 N -1.99 -0.01 0.30 1.61 0.01 -1.26 -4.73 113.70 107.62 1gwl s SER 57 Ca 0.00 -0.30 -0.07 0.00 1.31 0.00 0.00 55.95 56.88 1gwl s SER 57 Cb 0.00 0.30 -0.06 0.00 0.21 0.00 0.00 66.02 66.47 1gwl s SER 57 CO 0.00 -0.56 0.60 -0.36 0.41 0.00 0.00 173.24 173.33 1gwl s PHE 58 N -2.48 3.46 -0.12 2.43 0.08 -0.22 -4.88 117.98 116.26 1gwl s PHE 58 Ca -0.06 0.78 0.00 0.00 0.12 0.00 0.00 56.93 57.78 1gwl s PHE 58 Cb -0.01 -2.22 0.02 0.00 -0.57 0.00 0.00 43.02 40.24 1gwl s PHE 58 CO -0.03 0.13 -0.10 1.03 -0.10 0.00 0.00 175.22 176.15 1gwl s ARG 59 N -3.47 1.73 3.78 0.44 0.52 -1.26 -0.67 118.95 120.03 1gwl s ARG 59 Ca 0.46 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.33 1gwl s ARG 59 Cb -0.11 -1.69 0.00 0.00 0.52 0.00 0.00 34.95 33.67 1gwl s ARG 59 CO 0.28 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.79 1gwl n GLY 60 N 4.77 2.52 7.00 -3.53 0.00 -1.26 -4.88 105.19 109.81 1gwl n GLY 60 Ca -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1gwl n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwl n GLY 61 N 0.00 1.21 3.21 -0.02 0.00 -1.25 -4.69 105.19 103.65 1gwl n GLY 61 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1gwl n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gwl s SER 62 N -4.00 -0.10 -0.12 1.61 1.04 -0.38 -1.27 113.70 110.48 1gwl s SER 62 Ca 0.00 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.33 1gwl s SER 62 Cb 0.00 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 1gwl s SER 62 CO 0.00 -0.50 -0.14 -0.76 0.98 0.00 0.00 173.24 172.82 1gwl s LEU 63 N -1.65 2.65 -0.04 2.42 1.43 -0.28 -1.19 118.68 122.02 1gwl s LEU 63 Ca -0.10 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 1gwl s LEU 63 Cb -0.04 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 1gwl s LEU 63 CO 0.01 0.19 -0.22 -0.60 0.23 0.00 0.00 176.35 175.95 1gwl s ARG 64 N 0.21 2.09 -0.01 1.70 3.00 -0.26 -0.80 118.95 124.89 1gwl s ARG 64 Ca -0.09 -0.80 -0.28 0.00 -1.00 0.00 0.00 55.73 53.56 1gwl s ARG 64 Cb -0.15 -1.87 0.10 0.00 0.00 0.00 0.00 34.95 33.02 1gwl s ARG 64 CO 0.05 0.39 0.85 -0.59 0.00 0.00 0.00 175.30 176.01 1gwl s PHE 65 N -0.27 -0.40 -0.14 5.12 -0.71 -0.75 -0.93 117.98 119.91 1gwl s PHE 65 Ca 0.01 0.36 -0.09 0.00 -1.04 0.00 0.00 56.93 56.18 1gwl s PHE 65 Cb -0.11 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 1gwl s PHE 65 CO 0.02 -0.56 0.16 -0.51 -1.34 0.00 0.00 175.22 172.99 1gwl s ASP 66 N -2.21 6.37 -0.05 1.98 1.01 -0.26 -1.07 116.67 122.45 1gwl s ASP 66 Ca 0.02 0.43 -0.06 0.00 0.71 0.00 0.00 52.55 53.66 1gwl s ASP 66 Cb -0.01 -2.10 0.01 0.00 1.01 0.00 0.00 42.92 41.84 1gwl s ASP 66 CO -0.06 0.32 0.16 -0.32 0.21 0.00 0.00 175.17 175.47 1gwl s MET 67 N -0.53 0.23 0.14 8.23 1.75 -0.50 -1.42 119.30 127.20 1gwl s MET 67 Ca 0.14 0.15 0.08 0.00 -1.25 0.00 0.00 55.69 54.80 1gwl s MET 67 Cb -0.12 0.11 -0.04 0.00 2.84 0.00 0.00 34.83 37.62 1gwl s MET 67 CO 0.03 -0.04 -0.19 -1.59 -0.65 0.00 0.00 175.02 172.58 1gwl s LYS 68 N -0.11 1.20 -0.29 4.11 -2.85 -0.92 -1.43 119.74 119.45 1gwl s LYS 68 Ca -0.02 -1.30 -0.15 0.00 -1.00 0.00 0.00 55.97 53.50 1gwl s LYS 68 Cb -0.02 -1.33 0.14 0.00 -2.06 0.00 0.00 37.83 34.56 1gwl s LYS 68 CO 0.00 0.29 0.93 0.54 0.10 0.00 0.00 175.35 177.21 1gwl s ASN 69 N -2.36 -0.62 0.47 0.03 4.22 -0.70 -1.10 114.94 114.88 1gwl s ASN 69 Ca 0.12 0.94 0.26 0.00 -2.14 0.00 0.00 52.86 52.03 1gwl s ASN 69 Cb -0.07 1.45 1.07 0.00 1.28 0.00 0.00 41.25 44.98 1gwl s ASN 69 CO 0.05 -0.14 1.89 -0.33 -2.04 0.00 0.00 177.10 176.53 1gwl h GLU 70 N 6.76 0.00 0.00 3.55 5.08 -1.57 -1.04 114.58 127.36 1gwl h GLU 70 Ca -0.24 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.74 1gwl h GLU 70 Cb 1.16 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.32 1gwl h GLU 70 CO 0.15 0.18 -0.36 0.41 -1.00 0.00 0.00 179.01 178.39 1gwl n GLY 71 N -0.02 3.22 3.77 -3.84 0.00 -1.26 -4.85 105.19 102.20 1gwl n GLY 71 Ca -0.00 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1gwl n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gwl s LYS 72 N -3.08 4.23 -0.13 1.61 1.02 -1.26 -4.00 119.74 118.12 1gwl s LYS 72 Ca 0.28 2.40 0.02 0.00 0.02 0.00 0.00 55.97 58.68 1gwl s LYS 72 Cb 0.01 -3.04 0.01 0.00 -0.52 0.00 0.00 37.83 34.30 1gwl s LYS 72 CO 0.20 -0.40 -0.18 0.08 -0.92 0.00 0.00 175.35 174.13 1gwl s VAL 73 N -0.83 1.78 -0.11 3.17 1.01 -0.39 -3.19 120.40 121.84 1gwl s VAL 73 Ca 0.53 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 1gwl s VAL 73 Cb -0.43 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1gwl s VAL 73 CO 0.55 0.50 0.41 -0.75 0.00 0.00 0.00 175.10 175.80 1gwl s LYS 74 N 0.96 4.25 -0.22 2.72 2.20 -0.60 -0.67 119.74 128.38 1gwl s LYS 74 Ca -0.05 0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.80 1gwl s LYS 74 Cb -0.15 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1gwl s LYS 74 CO -0.03 0.26 0.12 0.42 -0.36 0.00 0.00 175.35 175.75 1gwl s ILE 75 N 0.34 5.03 0.18 5.43 -1.09 -0.19 -1.40 121.20 129.51 1gwl s ILE 75 Ca 0.23 0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.78 1gwl s ILE 75 Cb -0.15 -3.32 -0.05 0.00 -1.58 0.00 0.00 42.46 37.37 1gwl s ILE 75 CO 0.09 0.38 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.28 1gwl s LEU 76 N 0.92 2.54 0.20 2.97 1.02 -0.77 -1.24 118.68 124.32 1gwl s LEU 76 Ca 0.06 -1.00 0.11 0.00 0.02 0.00 0.00 54.13 53.32 1gwl s LEU 76 Cb -0.13 -0.59 -0.04 0.00 0.02 0.00 0.00 46.19 45.44 1gwl s LEU 76 CO 0.03 -0.20 -0.21 0.68 0.02 0.00 0.00 176.35 176.67 1gwl s VAL 77 N -2.97 2.20 0.04 -1.59 -7.23 -0.64 -0.82 120.40 109.38 1gwl s VAL 77 Ca 0.20 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1gwl s VAL 77 Cb -0.00 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 1gwl s VAL 77 CO 0.05 -0.26 0.07 -1.61 -0.31 0.00 0.00 175.10 173.04 1gwl s GLU 78 N -2.94 0.57 -0.34 4.82 2.02 -0.40 -1.05 118.70 121.39 1gwl s GLU 78 Ca 0.21 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 54.31 1gwl s GLU 78 Cb -0.06 0.22 0.03 0.00 0.10 0.00 0.00 34.13 34.41 1gwl s GLU 78 CO 0.10 -0.14 0.14 1.21 0.02 0.00 0.00 175.26 176.59 1gwl s ASN 79 N -2.18 5.44 0.40 -0.19 3.84 -0.28 -1.69 114.94 120.28 1gwl s ASN 79 Ca -0.04 -0.97 0.19 0.00 0.21 0.00 0.00 52.86 52.25 1gwl s ASN 79 Cb -0.01 -1.93 0.82 0.00 -0.55 0.00 0.00 41.25 39.58 1gwl s ASN 79 CO -0.05 -0.32 1.81 0.28 -2.79 0.00 0.00 177.10 176.03 1gwl h SER 80 N 8.31 0.00 -0.00 -4.21 0.02 -1.90 -0.45 113.55 115.32 1gwl h SER 80 Ca -0.26 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1gwl h SER 80 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1gwl h SER 80 CO 0.63 0.33 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.56 1gwl h GLU 81 N 0.00 0.00 0.00 3.45 4.57 -1.97 -3.20 114.58 117.44 1gwl h GLU 81 Ca -0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1gwl h GLU 81 Cb 0.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1gwl h GLU 81 CO 0.04 0.59 0.00 0.00 -1.18 0.00 0.00 179.01 178.47 1gwl h ALA 82 N 0.41 1.00 -6.28 2.92 0.00 -1.99 -3.48 119.26 111.85 1gwl h ALA 82 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1gwl h ALA 82 Cb 0.59 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.45 1gwl h ALA 82 CO 0.00 0.00 -0.94 -3.47 0.00 0.00 0.00 179.25 174.84 1gwl n ASP 83 N -2.63 -4.76 -4.21 0.00 2.03 -0.20 -5.03 116.55 101.74 1gwl n ASP 83 Ca 0.03 -1.03 -0.26 0.00 0.52 0.00 0.00 54.79 54.06 1gwl n ASP 83 Cb 0.38 -3.29 -0.15 0.00 -0.72 0.00 0.00 41.12 37.34 1gwl n ASP 83 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1gwl s GLU 84 N -6.10 1.47 0.22 -0.67 2.02 -1.04 -5.01 118.70 109.60 1gwl s GLU 84 Ca 0.43 -0.78 0.10 0.00 0.02 0.00 0.00 54.97 54.73 1gwl s GLU 84 Cb -0.16 -1.48 -0.05 0.00 0.10 0.00 0.00 34.13 32.54 1gwl s GLU 84 CO 0.87 0.40 -0.19 -1.59 0.02 0.00 0.00 175.26 174.76 1gwl s LYS 85 N -0.75 1.47 -0.13 1.61 -2.85 -1.26 -1.12 119.74 116.71 1gwl s LYS 85 Ca 0.07 -1.60 -0.04 0.00 -1.00 0.00 0.00 55.97 53.40 1gwl s LYS 85 Cb -0.08 -1.54 0.06 0.00 -2.06 0.00 0.00 37.83 34.21 1gwl s LYS 85 CO 0.00 0.30 0.24 0.12 0.10 0.00 0.00 175.35 176.11 1gwl s PHE 86 N -2.33 -0.37 -0.37 1.78 5.36 -0.21 -5.00 117.98 116.83 1gwl s PHE 86 Ca 0.23 0.85 -0.29 0.00 -0.96 0.00 0.00 56.93 56.77 1gwl s PHE 86 Cb -0.05 -0.10 0.02 0.00 -0.34 0.00 0.00 43.02 42.55 1gwl s PHE 86 CO 0.10 -0.36 1.09 -1.21 -1.46 0.00 0.00 175.22 173.39 1gwl s GLU 87 N 2.39 3.95 -0.15 10.12 8.01 -1.26 -1.62 118.70 140.14 1gwl s GLU 87 Ca 0.02 0.90 -0.20 0.00 0.01 0.00 0.00 54.97 55.70 1gwl s GLU 87 Cb -0.12 -3.79 -0.17 0.00 -4.31 0.00 0.00 34.13 25.73 1gwl s GLU 87 CO -0.08 -1.06 0.38 0.28 0.01 0.00 0.00 175.26 174.79 1gwl h VAL 88 N 5.90 1.05 -2.12 2.63 2.07 -1.54 -3.49 116.25 120.74 1gwl h VAL 88 Ca -0.21 -1.92 0.04 0.00 0.82 0.00 0.00 66.70 65.43 1gwl h VAL 88 Cb 1.06 2.11 -0.18 0.00 -1.52 0.00 0.00 31.29 32.76 1gwl h VAL 88 CO 1.06 0.36 0.40 -0.70 0.02 0.00 0.00 177.57 178.71 1gwl s GLU 89 N -2.14 0.88 -0.15 1.57 2.56 -1.19 -5.03 118.70 115.20 1gwl s GLU 89 Ca -0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 54.97 54.70 1gwl s GLU 89 Cb 0.00 0.41 -0.02 0.00 2.00 0.00 0.00 34.13 36.53 1gwl s GLU 89 CO 0.49 -0.33 -0.10 0.99 -0.56 0.00 0.00 175.26 175.75 1gwl s THR 90 N -2.21 3.27 -0.14 -1.70 2.01 -1.26 -1.02 115.64 114.59 1gwl s THR 90 Ca -0.01 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.39 1gwl s THR 90 Cb -0.01 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1gwl s THR 90 CO -0.02 0.50 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.72 1gwl s ILE 91 N 0.59 3.79 0.76 1.82 1.01 0.15 -4.93 121.20 124.40 1gwl s ILE 91 Ca -0.06 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 1gwl s ILE 91 Cb -0.15 -2.64 0.05 0.00 0.01 0.00 0.00 42.46 39.73 1gwl s ILE 91 CO 0.03 0.52 1.10 -0.44 0.00 0.00 0.00 174.94 176.14 1gwl s SER 92 N 0.15 4.50 0.55 3.58 0.01 -1.26 -1.26 113.70 119.97 1gwl s SER 92 Ca -0.02 1.87 -0.22 0.00 1.31 0.00 0.00 55.95 58.89 1gwl s SER 92 Cb -0.14 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 1gwl s SER 92 CO 0.03 -2.04 1.36 -2.65 0.41 0.00 0.00 173.24 170.35 1gwl n PRO 93 N -3.41 1.68 -3.76 12.44 -0.02 -1.26 -4.83 135.00 135.84 1gwl n PRO 93 Ca 0.09 0.62 -0.13 0.00 -2.02 0.00 0.00 63.50 62.07 1gwl n PRO 93 Cb 0.53 -2.58 -0.12 0.00 -0.02 0.00 0.00 33.50 31.30 1gwl n PRO 93 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1gwl s SER 94 N -0.93 -0.28 0.00 2.55 0.15 -0.39 -5.00 113.70 109.80 1gwl s SER 94 Ca 0.72 0.53 0.28 0.00 0.70 0.00 0.00 55.95 58.18 1gwl s SER 94 Cb -0.41 0.50 0.97 0.00 -1.71 0.00 0.00 66.02 65.36 1gwl s SER 94 CO 0.49 -0.12 1.73 -0.67 1.20 0.00 0.00 173.24 175.87 1gwl n ASP 95 N 3.40 0.22 -4.29 5.45 2.03 -1.26 -1.73 116.55 120.38 1gwl n ASP 95 Ca -0.17 0.13 -0.20 0.00 0.52 0.00 0.00 54.79 55.07 1gwl n ASP 95 Cb 0.56 -0.19 -0.11 0.00 -0.72 0.00 0.00 41.12 40.67 1gwl n ASP 95 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1gwl s GLU 96 N -2.95 1.15 0.33 -0.67 2.02 -1.26 -4.96 118.70 112.36 1gwl s GLU 96 Ca 0.14 -1.33 -0.29 0.00 0.02 0.00 0.00 54.97 53.52 1gwl s GLU 96 Cb 0.19 -1.13 -0.10 0.00 0.10 0.00 0.00 34.13 33.18 1gwl s GLU 96 CO 0.59 0.22 1.39 0.71 0.02 0.00 0.00 175.26 178.19 1gwl s TYR 97 N -2.09 2.91 -0.02 1.61 2.02 -1.26 -4.44 117.35 116.09 1gwl s TYR 97 Ca 0.12 1.26 0.03 0.00 -0.37 0.00 0.00 57.07 58.12 1gwl s TYR 97 Cb -0.05 -3.81 -0.00 0.00 -0.40 0.00 0.00 41.96 37.70 1gwl s TYR 97 CO 0.05 -2.35 -0.10 0.08 -1.57 0.00 0.00 175.55 171.66 1gwl s VAL 98 N -0.90 0.86 -0.14 0.71 1.01 -0.51 -4.92 120.40 116.51 1gwl s VAL 98 Ca 0.52 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.83 1gwl s VAL 98 Cb -0.42 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1gwl s VAL 98 CO 0.54 0.25 0.77 -0.89 0.00 0.00 0.00 175.10 175.77 1gwl s THR 99 N -0.03 4.95 -0.05 3.92 2.01 -1.26 -1.41 115.64 123.76 1gwl s THR 99 Ca 0.00 1.52 0.04 0.00 0.31 0.00 0.00 61.69 63.57 1gwl s THR 99 Cb -0.07 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.33 1gwl s THR 99 CO 0.00 0.10 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.56 1gwl s TYR 100 N 1.72 2.64 -0.18 4.92 2.02 -0.23 -5.00 117.35 123.23 1gwl s TYR 100 Ca 0.37 -0.23 -0.02 0.00 -0.37 0.00 0.00 57.07 56.82 1gwl s TYR 100 Cb -0.17 -1.62 0.06 0.00 -0.40 0.00 0.00 41.96 39.83 1gwl s TYR 100 CO 0.14 0.13 0.02 0.42 -1.57 0.00 0.00 175.55 174.69 1gwl s ILE 101 N -0.66 0.64 -0.12 2.71 1.01 -1.26 -1.80 121.20 121.71 1gwl s ILE 101 Ca 0.10 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1gwl s ILE 101 Cb -0.11 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.30 1gwl s ILE 101 CO 0.00 -0.13 -0.23 -0.76 0.00 0.00 0.00 174.94 173.82 1gwl s LEU 102 N 1.81 2.10 0.30 2.97 1.43 0.02 -4.90 118.68 122.42 1gwl s LEU 102 Ca -0.01 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.22 1gwl s LEU 102 Cb -0.17 -1.43 -0.10 0.00 0.03 0.00 0.00 46.19 44.52 1gwl s LEU 102 CO -0.08 0.12 1.28 -1.81 0.23 0.00 0.00 176.35 176.09 1gwl s ASP 103 N 0.60 6.88 -0.35 2.29 1.01 -1.26 -1.13 116.67 124.71 1gwl s ASP 103 Ca -0.12 2.57 -0.08 0.00 0.71 0.00 0.00 52.55 55.63 1gwl s ASP 103 Cb -0.17 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.16 1gwl s ASP 103 CO 0.03 -0.47 0.14 -0.69 0.21 0.00 0.00 175.17 174.38 1gwl s VAL 104 N -0.90 4.04 -2.53 -1.27 1.01 -0.40 -4.93 120.40 115.42 1gwl s VAL 104 Ca 0.50 -1.02 0.23 0.00 0.00 0.00 0.00 61.98 61.68 1gwl s VAL 104 Cb -0.38 -3.27 0.37 0.00 0.00 0.00 0.00 36.38 33.10 1gwl s VAL 104 CO 0.48 -0.18 1.36 0.47 0.00 0.00 0.00 175.10 177.23 1gwl n ASP 105 N 4.87 3.35 -4.66 3.32 8.00 -1.26 -4.16 116.55 126.02 1gwl n ASP 105 Ca -0.12 -1.99 -0.44 0.00 0.71 0.00 0.00 54.79 52.95 1gwl n ASP 105 Cb 0.45 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 1gwl n ASP 105 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1gwl n PHE 106 N 1.45 1.98 1.52 1.24 7.35 -1.26 -4.92 117.46 124.82 1gwl n PHE 106 Ca 0.18 0.53 0.15 0.00 -0.76 0.00 0.00 57.45 57.55 1gwl n PHE 106 Cb 0.60 -2.40 0.68 0.00 0.35 0.00 0.00 39.48 38.71 1gwl n PHE 106 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1gwl n ASP 107 N 1.62 0.43 -4.65 -2.13 8.00 -1.26 -4.68 116.55 113.88 1gwl n ASP 107 Ca 0.10 -0.69 -0.23 0.00 0.71 0.00 0.00 54.79 54.68 1gwl n ASP 107 Cb 0.32 -0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 41.27 1gwl n ASP 107 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gwl s LEU 108 N -2.36 3.22 0.82 0.64 1.43 -1.26 -5.10 118.68 116.07 1gwl s LEU 108 Ca 0.33 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 1gwl s LEU 108 Cb 0.20 -1.74 0.09 0.00 0.03 0.00 0.00 46.19 44.78 1gwl s LEU 108 CO 0.44 -0.01 1.20 -2.84 0.23 0.00 0.00 176.35 175.37 1gwl s PRO 109 N -3.68 1.55 -0.03 1.29 0.02 -1.26 -4.70 135.00 128.19 1gwl s PRO 109 Ca 0.32 1.73 0.04 0.00 0.02 0.00 0.00 61.00 63.11 1gwl s PRO 109 Cb -0.06 -1.77 -0.01 0.00 0.02 0.00 0.00 34.50 32.68 1gwl s PRO 109 CO 0.20 -2.28 -0.15 -0.59 -0.33 0.00 0.00 177.00 173.86 1gwl s PHE 110 N -2.21 1.41 -0.05 6.54 -0.71 0.16 -4.32 117.98 118.80 1gwl s PHE 110 Ca 0.72 -0.34 0.00 0.00 -1.04 0.00 0.00 56.93 56.28 1gwl s PHE 110 Cb -0.28 -0.94 0.01 0.00 -1.21 0.00 0.00 43.02 40.60 1gwl s PHE 110 CO 0.52 -0.09 0.83 -0.40 -1.34 0.00 0.00 175.22 174.74 1gwl n ASP 111 N 2.99 1.68 -4.03 1.98 5.75 -0.68 -1.06 116.55 123.18 1gwl n ASP 111 Ca -0.17 -1.65 -0.23 0.00 -0.01 0.00 0.00 54.79 52.74 1gwl n ASP 111 Cb 0.54 -0.01 -0.16 0.00 -1.03 0.00 0.00 41.12 40.46 1gwl n ASP 111 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1gwl s ARG 112 N -0.66 1.33 -0.14 0.11 0.52 -0.95 -0.92 118.95 118.25 1gwl s ARG 112 Ca 0.01 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 54.84 1gwl s ARG 112 Cb 0.00 -1.18 0.01 0.00 0.52 0.00 0.00 34.95 34.31 1gwl s ARG 112 CO 0.01 0.12 -0.19 0.42 0.02 0.00 0.00 175.30 175.67 1gwl s ILE 113 N 0.30 1.86 -0.06 1.52 1.01 -0.52 -1.27 121.20 124.05 1gwl s ILE 113 Ca -0.06 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 59.79 1gwl s ILE 113 Cb -0.11 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 1gwl s ILE 113 CO 0.02 0.51 -0.21 -1.81 0.00 0.00 0.00 174.94 173.45 1gwl s ASP 114 N 1.00 3.42 -0.22 3.58 1.01 -0.00 -0.63 116.67 124.82 1gwl s ASP 114 Ca -0.04 -0.40 0.01 0.00 0.71 0.00 0.00 52.55 52.83 1gwl s ASP 114 Cb -0.15 -0.84 0.05 0.00 1.01 0.00 0.00 42.92 42.99 1gwl s ASP 114 CO -0.04 0.28 -0.10 -0.36 0.21 0.00 0.00 175.17 175.15 1gwl s PHE 115 N -0.33 2.64 -0.02 4.23 0.40 -0.77 -1.84 117.98 122.28 1gwl s PHE 115 Ca 0.02 -1.80 0.08 0.00 -0.60 0.00 0.00 56.93 54.63 1gwl s PHE 115 Cb -0.12 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.67 1gwl s PHE 115 CO 0.02 -0.79 -0.25 -1.14 0.70 0.00 0.00 175.22 173.76 1gwl s GLN 116 N 1.32 2.05 -1.14 0.44 0.74 -0.49 -2.17 119.66 120.41 1gwl s GLN 116 Ca -0.03 -0.90 -0.22 0.00 0.05 0.00 0.00 55.36 54.26 1gwl s GLN 116 Cb -0.17 -1.98 -0.02 0.00 1.10 0.00 0.00 33.01 31.94 1gwl s GLN 116 CO -0.07 0.54 1.83 0.34 -0.55 0.00 0.00 175.29 177.37 1gwl s ASP 117 N -0.59 5.69 0.23 6.67 2.15 0.29 -1.56 116.67 129.55 1gwl s ASP 117 Ca 0.10 -1.64 -0.08 0.00 0.43 0.00 0.00 52.55 51.35 1gwl s ASP 117 Cb -0.10 -2.58 0.20 0.00 -0.30 0.00 0.00 42.92 40.14 1gwl s ASP 117 CO -0.01 -2.33 1.89 0.00 -0.17 0.00 0.00 175.17 174.54 1gwl h ALA 118 N 9.49 1.09 0.00 3.66 0.00 -1.85 -2.22 119.26 129.44 1gwl h ALA 118 Ca 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1gwl h ALA 118 Cb 0.94 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1gwl h ALA 118 CO 1.31 0.53 -0.02 -1.35 0.00 0.00 0.00 179.25 179.71 1gwl h PRO 119 N 1.18 0.00 -0.51 0.00 0.11 -1.90 -3.48 132.00 127.40 1gwl h PRO 119 Ca 0.31 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.24 1gwl h PRO 119 Cb -0.09 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 30.95 1gwl h PRO 119 CO -0.06 0.02 -0.17 0.41 -0.21 0.00 0.00 178.00 177.99 1gwl n GLY 120 N 0.21 0.95 0.31 -0.55 0.00 -0.83 -4.93 105.19 100.35 1gwl n GLY 120 Ca 0.01 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.54 1gwl n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gwl n ASN 121 N 0.55 1.16 0.00 1.61 3.02 -1.26 -0.27 115.26 120.06 1gwl n ASN 121 Ca -0.09 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 1gwl n ASN 121 Cb 0.32 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1gwl n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gwl n GLY 122 N 1.29 0.73 3.73 7.41 0.00 -1.26 -4.51 105.19 112.59 1gwl n GLY 122 Ca 0.14 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1gwl n GLY 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gwl s ASP 123 N -2.38 6.86 0.58 1.61 1.01 -1.26 -4.54 116.67 118.54 1gwl s ASP 123 Ca 0.00 2.38 -0.14 0.00 0.71 0.00 0.00 52.55 55.50 1gwl s ASP 123 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1gwl s ASP 123 CO 0.00 -0.58 1.02 -0.13 0.21 0.00 0.00 175.17 175.69 1gwl s ARG 124 N 0.34 3.62 -0.02 8.23 0.52 -1.26 -4.52 118.95 125.86 1gwl s ARG 124 Ca 0.60 0.93 0.01 0.00 -0.52 0.00 0.00 55.73 56.75 1gwl s ARG 124 Cb -0.37 -2.08 0.01 0.00 0.52 0.00 0.00 34.95 33.03 1gwl s ARG 124 CO 0.35 -0.55 -0.05 0.42 0.02 0.00 0.00 175.30 175.50 1gwl s ILE 125 N -2.82 0.49 -0.13 1.52 1.01 -0.92 -1.73 121.20 118.62 1gwl s ILE 125 Ca 0.58 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 61.09 1gwl s ILE 125 Cb -0.12 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 41.89 1gwl s ILE 125 CO 0.42 0.18 -0.21 0.26 0.00 0.00 0.00 174.94 175.59 1gwl s TRP 126 N 0.44 2.47 -0.05 3.97 0.51 -0.25 -0.62 118.94 125.41 1gwl s TRP 126 Ca -0.05 -1.19 0.04 0.00 -2.12 0.00 0.00 56.10 52.78 1gwl s TRP 126 Cb -0.09 -1.70 -0.00 0.00 -0.81 0.00 0.00 33.47 30.87 1gwl s TRP 126 CO -0.00 -0.55 -0.18 0.42 -0.51 0.00 0.00 176.95 176.13 1gwl s ILE 127 N 0.78 1.55 0.13 2.03 1.01 -0.22 -2.15 121.20 124.32 1gwl s ILE 127 Ca -0.09 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1gwl s ILE 127 Cb -0.16 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1gwl s ILE 127 CO -0.00 0.44 -0.09 -0.54 0.00 0.00 0.00 174.94 174.75 1gwl s LYS 128 N 0.09 0.98 -1.21 2.79 1.02 -0.50 -1.15 119.74 121.74 1gwl s LYS 128 Ca -0.06 -1.38 -0.01 0.00 0.02 0.00 0.00 55.97 54.53 1gwl s LYS 128 Cb -0.13 -0.51 -0.01 0.00 -0.52 0.00 0.00 37.83 36.66 1gwl s LYS 128 CO 0.03 0.05 0.88 0.09 -0.92 0.00 0.00 175.35 175.49 1gwl n ASN 129 N -0.06 -2.41 -4.62 2.83 3.02 -0.83 -1.10 115.26 112.09 1gwl n ASN 129 Ca -0.11 -0.71 -0.42 0.00 -0.03 0.00 0.00 54.58 53.31 1gwl n ASN 129 Cb 0.60 -4.72 -0.05 0.00 -0.61 0.00 0.00 39.78 35.00 1gwl n ASN 129 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1gwl s LEU 130 N -6.35 4.08 -0.01 3.41 2.96 -0.49 -3.82 118.68 118.46 1gwl s LEU 130 Ca 0.07 0.80 0.01 0.00 -0.22 0.00 0.00 54.13 54.79 1gwl s LEU 130 Cb -0.01 -3.09 0.01 0.00 0.50 0.00 0.00 46.19 43.60 1gwl s LEU 130 CO 0.76 -0.55 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.53 1gwl s VAL 131 N 2.87 0.24 -0.14 1.68 1.01 -0.10 -1.05 120.40 124.91 1gwl s VAL 131 Ca 0.32 -0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.17 1gwl s VAL 131 Cb -0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1gwl s VAL 131 CO 0.10 0.10 0.12 -2.28 0.00 0.00 0.00 175.10 173.15 1gwl s HIS 132 N 0.32 3.51 -0.02 5.22 2.46 -0.36 -1.10 115.29 125.31 1gwl s HIS 132 Ca -0.03 0.44 0.05 0.00 0.47 0.00 0.00 55.06 55.99 1gwl s HIS 132 Cb -0.06 -1.98 -0.03 0.00 -0.13 0.00 0.00 32.58 30.39 1gwl s HIS 132 CO -0.01 0.60 -0.16 0.45 -2.47 0.00 0.00 174.74 173.16 1gwl s SER 133 N -0.68 3.94 0.42 9.88 0.15 -0.33 -0.60 113.70 126.48 1gwl s SER 133 Ca 0.13 -0.26 0.30 0.00 0.70 0.00 0.00 55.95 56.81 1gwl s SER 133 Cb -0.12 -0.77 1.33 0.00 -1.71 0.00 0.00 66.02 64.75 1gwl s SER 133 CO 0.02 0.32 1.88 0.71 1.20 0.00 0.00 173.24 177.38 1gwl h THR 134 N 4.23 0.00 -1.31 6.45 1.35 -1.72 -1.00 112.91 120.91 1gwl h THR 134 Ca -0.47 -0.26 -0.48 0.00 -0.55 0.00 0.00 66.41 64.65 1gwl h THR 134 Cb 1.15 1.09 0.05 0.00 -1.73 0.00 0.00 68.15 68.71 1gwl h THR 134 CO 0.50 0.00 -0.02 -0.83 -0.25 0.00 0.00 175.52 174.92 1gwl s GLY 135 N -3.84 1.74 0.77 5.82 0.00 -1.26 -3.92 107.32 106.63 1gwl s GLY 135 Ca 0.01 -1.99 -0.11 0.00 0.00 0.00 0.00 44.72 42.63 1gwl s GLY 135 CO 0.42 -1.49 1.08 -1.35 0.00 0.00 0.00 173.10 171.76 1gwl s SER 136 N -4.70 4.64 0.31 1.64 1.04 -1.26 -2.82 113.70 112.55 1gwl s SER 136 Ca 0.64 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.65 1gwl s SER 136 Cb -0.05 -2.34 0.49 0.00 0.10 0.00 0.00 66.02 64.21 1gwl s SER 136 CO 0.41 -1.91 1.89 0.00 0.98 0.00 0.00 173.24 174.61 1gwl h ALA 137 N -1.05 1.34 0.00 5.32 0.00 -1.88 -2.39 119.26 120.60 1gwl h ALA 137 Ca -0.45 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 1gwl h ALA 137 Cb 1.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1gwl h ALA 137 CO 0.56 0.50 -0.15 -0.44 0.00 0.00 0.00 179.25 179.71 1gwl h ASP 138 N 0.81 0.00 -0.06 0.00 5.19 -1.93 -2.95 116.42 117.48 1gwl h ASP 138 Ca 0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1gwl h ASP 138 Cb 0.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.67 1gwl h ASP 138 CO -0.02 0.15 0.00 0.47 -3.12 0.00 0.00 179.24 176.72 1gwl n ASP 139 N -3.28 2.77 -4.66 6.45 8.00 -0.94 -4.98 116.55 119.90 1gwl n ASP 139 Ca 0.01 -1.91 -0.42 0.00 0.71 0.00 0.00 54.79 53.17 1gwl n ASP 139 Cb 0.41 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1gwl n ASP 139 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1gwl s PHE 140 N -1.96 2.38 -0.22 1.24 2.19 -0.95 -4.93 117.98 115.72 1gwl s PHE 140 Ca 0.31 0.55 -0.01 0.00 0.33 0.00 0.00 56.93 58.10 1gwl s PHE 140 Cb 0.20 -3.74 0.02 0.00 -1.31 0.00 0.00 43.02 38.19 1gwl s PHE 140 CO 0.31 -2.93 -0.10 0.08 1.83 0.00 0.00 175.22 174.40 1gwl s VAL 141 N 3.69 2.68 -0.53 3.12 1.01 -1.26 -5.07 120.40 124.05 1gwl s VAL 141 Ca 0.66 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1gwl s VAL 141 Cb -0.29 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1gwl s VAL 141 CO 0.24 0.34 0.13 -0.67 0.00 0.00 0.00 175.10 175.13