#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwm s ASN 2 N 0.00 6.97 0.00 6.12 3.84 -1.26 -4.92 114.94 125.68 1gwm s ASN 2 Ca 0.00 1.14 0.25 0.00 0.21 0.00 0.00 52.86 54.45 1gwm s ASN 2 Cb 0.00 -2.53 0.42 0.00 -0.55 0.00 0.00 41.25 38.59 1gwm s ASN 2 CO 0.00 -0.77 1.36 1.33 -2.79 0.00 0.00 177.10 176.23 1gwm n VAL 3 N 5.63 0.00 -1.91 -5.21 0.24 -1.26 -4.94 118.33 110.89 1gwm n VAL 3 Ca 0.11 -0.26 -0.32 0.00 -2.04 0.00 0.00 64.34 61.83 1gwm n VAL 3 Cb 0.47 0.92 0.02 0.00 -1.47 0.00 0.00 33.84 33.78 1gwm n VAL 3 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1gwm s ARG 4 N -2.34 3.16 0.59 7.34 0.52 -1.26 -5.02 118.95 121.94 1gwm s ARG 4 Ca 0.25 1.18 -0.15 0.00 -0.52 0.00 0.00 55.73 56.49 1gwm s ARG 4 Cb 0.19 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.61 1gwm s ARG 4 CO 0.48 -0.94 1.04 0.00 0.02 0.00 0.00 175.30 175.89 1gwm s ALA 5 N -2.56 2.85 -0.27 2.13 0.00 -1.26 -5.02 121.76 117.64 1gwm s ALA 5 Ca 0.63 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.64 1gwm s ALA 5 Cb -0.16 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1gwm s ALA 5 CO 0.41 -0.72 0.54 0.99 0.00 0.00 0.00 175.76 176.99 1gwm s THR 6 N -2.68 5.05 -0.24 0.00 2.01 -1.26 -4.91 115.64 113.61 1gwm s THR 6 Ca 0.60 0.90 -0.10 0.00 0.31 0.00 0.00 61.69 63.41 1gwm s THR 6 Cb -0.13 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 1gwm s THR 6 CO 0.40 0.05 0.14 -0.31 -0.69 0.00 0.00 174.62 174.21 1gwm s TYR 7 N 2.36 3.26 -0.30 4.92 1.51 -1.26 -1.76 117.35 126.09 1gwm s TYR 7 Ca 0.22 0.10 -0.05 0.00 -1.01 0.00 0.00 57.07 56.33 1gwm s TYR 7 Cb -0.16 -2.25 0.03 0.00 -0.11 0.00 0.00 41.96 39.47 1gwm s TYR 7 CO 0.09 -0.01 0.05 0.99 -1.11 0.00 0.00 175.55 175.56 1gwm s THR 8 N 1.11 3.55 -0.52 -0.71 2.01 0.55 -4.99 115.64 116.65 1gwm s THR 8 Ca 0.06 -0.99 -0.26 0.00 0.31 0.00 0.00 61.69 60.81 1gwm s THR 8 Cb -0.14 -2.91 0.03 0.00 0.01 0.00 0.00 72.50 69.49 1gwm s THR 8 CO 0.05 -0.00 1.03 -0.69 -0.69 0.00 0.00 174.62 174.31 1gwm s VAL 9 N 1.40 4.30 -0.07 3.82 1.01 -1.26 -0.89 120.40 128.71 1gwm s VAL 9 Ca -0.00 0.71 -0.25 0.00 0.00 0.00 0.00 61.98 62.44 1gwm s VAL 9 Cb -0.18 -4.56 -0.25 0.00 0.00 0.00 0.00 36.38 31.39 1gwm s VAL 9 CO 0.01 -1.07 0.96 0.40 0.00 0.00 0.00 175.10 175.40 1gwm h ILE 10 N 6.11 1.60 -2.53 2.22 2.04 -1.20 -3.47 117.51 122.27 1gwm h ILE 10 Ca -0.25 -2.07 -0.08 0.00 1.00 0.00 0.00 64.86 63.46 1gwm h ILE 10 Cb 1.07 2.94 -0.19 0.00 -0.74 0.00 0.00 36.82 39.90 1gwm h ILE 10 CO 1.10 0.56 0.00 0.72 0.00 0.00 0.00 178.15 180.54 1gwm s PHE 11 N -2.88 -0.45 0.00 1.37 -0.71 -1.01 -4.72 117.98 109.59 1gwm s PHE 11 Ca -0.16 0.68 0.00 0.00 -1.04 0.00 0.00 56.93 56.41 1gwm s PHE 11 Cb -0.00 0.29 0.00 0.00 -1.21 0.00 0.00 43.02 42.10 1gwm s PHE 11 CO 0.74 -0.55 0.00 1.17 -1.34 0.00 0.00 175.22 175.23 1gwm n LYS 12 N 0.88 0.00 -3.26 1.99 4.81 -1.26 -0.85 118.16 120.47 1gwm n LYS 12 Ca -0.20 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.85 1gwm n LYS 12 Cb 0.58 -0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.55 1gwm n LYS 12 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1gwm s ASN 13 N -1.00 6.49 -0.19 3.14 0.01 -1.26 -1.23 114.94 120.90 1gwm s ASN 13 Ca 0.00 0.59 -0.19 0.00 -0.71 0.00 0.00 52.86 52.55 1gwm s ASN 13 Cb 0.00 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.35 1gwm s ASN 13 CO 0.00 -0.22 0.55 0.00 -1.51 0.00 0.00 177.10 175.92 1gwm s ALA 14 N 1.91 3.53 -0.15 0.60 0.00 0.11 -4.89 121.76 122.87 1gwm s ALA 14 Ca 0.22 -0.34 0.10 0.00 0.00 0.00 0.00 51.96 51.94 1gwm s ALA 14 Cb -0.15 -2.85 0.19 0.00 0.00 0.00 0.00 23.12 20.31 1gwm s ALA 14 CO 0.09 -0.43 1.12 0.43 0.00 0.00 0.00 175.76 176.96 1gwm n SER 15 N 4.76 2.38 0.00 0.00 7.64 -1.26 -3.93 113.62 123.21 1gwm n SER 15 Ca -0.04 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.32 1gwm n SER 15 Cb 0.50 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1gwm n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gwm n GLY 16 N -0.78 -1.49 3.76 0.23 0.00 -1.26 -4.94 105.19 100.72 1gwm n GLY 16 Ca 0.09 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 1gwm n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gwm s LEU 17 N 0.00 4.07 0.35 0.99 1.43 -1.26 -4.96 118.68 119.30 1gwm s LEU 17 Ca 0.00 2.68 -0.28 0.00 -1.03 0.00 0.00 54.13 55.50 1gwm s LEU 17 Cb 0.00 -4.05 -0.11 0.00 0.03 0.00 0.00 46.19 42.06 1gwm s LEU 17 CO 0.00 -1.10 1.38 -2.16 0.23 0.00 0.00 176.35 174.70 1gwm s PRO 18 N -2.51 4.24 0.22 1.29 0.04 -1.26 -4.93 135.00 132.09 1gwm s PRO 18 Ca 0.62 2.36 -0.32 0.00 0.04 0.00 0.00 61.00 63.71 1gwm s PRO 18 Cb -0.38 -3.02 -0.12 0.00 0.04 0.00 0.00 34.50 31.02 1gwm s PRO 18 CO 0.48 -0.34 1.66 -1.71 0.04 0.00 0.00 177.00 177.13 1gwm n ASN 19 N 0.64 3.79 0.00 6.66 5.15 -1.26 -1.96 115.26 128.28 1gwm n ASN 19 Ca 0.00 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.07 1gwm n ASN 19 Cb 0.41 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.10 1gwm n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1gwm n GLY 20 N 3.37 0.55 3.02 8.20 0.00 -1.26 -5.07 105.19 114.00 1gwm n GLY 20 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1gwm n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gwm s TYR 21 N -2.23 1.24 0.35 1.61 1.51 -0.83 -0.78 117.35 118.22 1gwm s TYR 21 Ca 0.00 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 55.73 1gwm s TYR 21 Cb 0.00 -0.89 -0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1gwm s TYR 21 CO 0.00 -0.18 0.50 -0.51 -1.11 0.00 0.00 175.55 174.25 1gwm s ASP 22 N 0.39 6.00 -0.40 2.29 1.01 -0.37 -4.65 116.67 120.95 1gwm s ASP 22 Ca -0.08 -0.03 -0.10 0.00 0.71 0.00 0.00 52.55 53.06 1gwm s ASP 22 Cb -0.12 -1.41 0.06 0.00 1.01 0.00 0.00 42.92 42.45 1gwm s ASP 22 CO 0.02 -0.43 0.23 0.21 0.21 0.00 0.00 175.17 175.40 1gwm s ASN 23 N -4.15 5.64 -0.30 0.27 2.47 -1.26 -0.62 114.94 116.99 1gwm s ASN 23 Ca 0.44 -1.30 0.06 0.00 0.42 0.00 0.00 52.86 52.48 1gwm s ASN 23 Cb -0.10 -1.99 0.56 0.00 -1.45 0.00 0.00 41.25 38.27 1gwm s ASN 23 CO 0.32 -0.47 1.64 0.79 -3.72 0.00 0.00 177.10 175.67 1gwm n TRP 24 N 4.94 2.16 -1.10 0.43 7.02 0.37 -4.92 117.44 126.33 1gwm n TRP 24 Ca -0.11 -1.25 -0.25 0.00 -1.02 0.00 0.00 57.50 54.87 1gwm n TRP 24 Cb 0.44 -0.68 0.21 0.00 -2.42 0.00 0.00 31.31 28.86 1gwm n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1gwm n GLY 25 N -0.39 -2.52 3.40 6.99 0.00 -1.25 -4.63 105.19 106.79 1gwm n GLY 25 Ca 0.39 -1.52 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 1gwm n GLY 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1gwm s TRP 26 N -2.81 -0.45 -1.40 1.61 -2.14 -0.44 -4.90 118.94 108.41 1gwm s TRP 26 Ca 0.61 0.72 0.00 0.00 2.66 0.00 0.00 56.10 60.09 1gwm s TRP 26 Cb -0.05 0.28 0.00 0.00 -3.10 0.00 0.00 33.47 30.60 1gwm s TRP 26 CO 0.46 -0.53 0.00 0.41 -2.66 0.00 0.00 176.95 174.63 1gwm n GLY 27 N 0.98 -0.08 3.62 3.67 0.00 -1.26 -0.89 105.19 111.23 1gwm n GLY 27 Ca -0.20 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1gwm n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwm s THR 29 N -3.85 2.61 -0.06 0.00 2.01 -0.77 -4.97 115.64 110.61 1gwm s THR 29 Ca 0.07 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.22 1gwm s THR 29 Cb -0.03 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1gwm s THR 29 CO -0.02 0.58 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.58 1gwm s LEU 30 N -0.62 2.64 0.25 4.42 1.02 -1.26 -0.51 118.68 124.62 1gwm s LEU 30 Ca 0.09 -0.25 0.04 0.00 0.02 0.00 0.00 54.13 54.03 1gwm s LEU 30 Cb -0.11 -1.54 -0.05 0.00 0.02 0.00 0.00 46.19 44.51 1gwm s LEU 30 CO 0.00 0.31 -0.01 -0.94 0.02 0.00 0.00 176.35 175.73 1gwm s SER 31 N -0.52 2.01 -0.09 2.29 1.04 -0.12 -4.98 113.70 113.33 1gwm s SER 31 Ca 0.07 -1.23 -0.02 0.00 0.48 0.00 0.00 55.95 55.25 1gwm s SER 31 Cb -0.12 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.01 1gwm s SER 31 CO 0.01 -0.50 0.01 -0.31 0.98 0.00 0.00 173.24 173.44 1gwm s TYR 32 N -3.35 0.68 -0.20 5.02 2.02 -1.26 -0.51 117.35 119.75 1gwm s TYR 32 Ca 0.29 -0.26 -0.19 0.00 -0.37 0.00 0.00 57.07 56.54 1gwm s TYR 32 Cb 0.06 -0.82 0.05 0.00 -0.40 0.00 0.00 41.96 40.85 1gwm s TYR 32 CO 0.10 -0.37 0.55 -0.47 -1.57 0.00 0.00 175.55 173.79 1gwm s TYR 33 N 1.97 -0.60 -1.62 2.71 5.04 -0.98 -4.92 117.35 118.95 1gwm s TYR 33 Ca 0.04 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 1gwm s TYR 33 Cb -0.13 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.39 1gwm s TYR 33 CO -0.06 -0.30 0.00 0.41 -1.34 0.00 0.00 175.55 174.26 1gwm n GLY 34 N 2.70 0.90 2.86 8.97 0.00 -1.26 -1.49 105.19 117.87 1gwm n GLY 34 Ca -0.14 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1gwm n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwm n GLY 35 N -0.98 0.81 3.87 -0.02 0.00 -1.26 -4.96 105.19 102.65 1gwm n GLY 35 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1gwm n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwm s ALA 36 N -3.32 3.78 -0.23 4.61 0.00 -0.56 0.04 121.76 126.08 1gwm s ALA 36 Ca 0.00 -0.44 -0.25 0.00 0.00 0.00 0.00 51.96 51.27 1gwm s ALA 36 Cb 0.00 -2.20 -0.00 0.00 0.00 0.00 0.00 23.12 20.92 1gwm s ALA 36 CO 0.00 0.58 0.87 1.41 0.00 0.00 0.00 175.76 178.62 1gwm s MET 37 N -1.60 4.22 -0.26 0.00 1.75 -0.34 -2.31 119.30 120.76 1gwm s MET 37 Ca 0.27 1.03 -0.04 0.00 -1.25 0.00 0.00 55.69 55.70 1gwm s MET 37 Cb -0.14 -3.63 0.01 0.00 2.84 0.00 0.00 34.83 33.91 1gwm s MET 37 CO 0.15 -0.51 -0.00 0.42 -0.65 0.00 0.00 175.02 174.43 1gwm s ILE 38 N 2.79 3.44 -0.22 10.11 1.01 0.33 -0.93 121.20 137.73 1gwm s ILE 38 Ca 0.37 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 60.20 1gwm s ILE 38 Cb -0.15 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1gwm s ILE 38 CO 0.08 0.23 0.11 -0.63 0.00 0.00 0.00 174.94 174.72 1gwm s ILE 39 N 1.44 4.95 -0.57 2.92 1.01 0.76 -0.95 121.20 130.76 1gwm s ILE 39 Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 1gwm s ILE 39 Cb -0.16 -3.28 0.15 0.00 0.01 0.00 0.00 42.46 39.18 1gwm s ILE 39 CO -0.01 0.38 0.37 0.20 0.00 0.00 0.00 174.94 175.88 1gwm s ASN 40 N 0.92 5.16 0.47 3.58 0.01 0.34 -1.72 114.94 123.70 1gwm s ASN 40 Ca 0.05 -2.69 -0.22 0.00 -0.71 0.00 0.00 52.86 49.29 1gwm s ASN 40 Cb -0.13 -1.83 -0.07 0.00 0.41 0.00 0.00 41.25 39.62 1gwm s ASN 40 CO 0.03 -0.39 1.14 -2.84 -1.51 0.00 0.00 177.10 173.53 1gwm s PRO 41 N 0.17 3.71 0.04 -0.60 0.02 -1.26 -1.84 135.00 135.24 1gwm s PRO 41 Ca 0.15 1.70 -0.29 0.00 0.02 0.00 0.00 61.00 62.58 1gwm s PRO 41 Cb -0.21 -2.32 -0.04 0.00 0.02 0.00 0.00 34.50 31.95 1gwm s PRO 41 CO -0.03 -0.58 0.92 -1.14 -0.33 0.00 0.00 177.00 175.84 1gwm s GLN 42 N -2.83 4.59 0.10 5.54 0.74 0.45 -4.39 119.66 123.86 1gwm s GLN 42 Ca 0.65 1.34 -0.36 0.00 0.05 0.00 0.00 55.36 57.04 1gwm s GLN 42 Cb -0.26 -3.41 -0.17 0.00 1.10 0.00 0.00 33.01 30.26 1gwm s GLN 42 CO 0.32 0.11 1.26 -1.91 -0.55 0.00 0.00 175.29 174.51 1gwm n GLU 43 N 3.31 0.99 -0.36 1.67 4.07 -1.26 -1.79 120.64 127.27 1gwm n GLU 43 Ca 0.03 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 1gwm n GLU 43 Cb 0.50 -1.94 0.00 0.00 -0.06 0.00 0.00 31.44 29.94 1gwm n GLU 43 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1gwm n GLY 44 N 2.28 1.85 0.00 8.31 0.00 0.16 -4.88 105.19 112.91 1gwm n GLY 44 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1gwm n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gwm n LYS 45 N -2.00 0.09 -4.00 1.61 4.76 -0.74 -4.97 118.16 112.92 1gwm n LYS 45 Ca 0.00 -0.02 -0.26 0.00 -2.87 0.00 0.00 58.31 55.16 1gwm n LYS 45 Cb 0.00 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 31.65 1gwm n LYS 45 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1gwm n TYR 46 N -1.62 -1.61 -1.28 2.13 4.01 -1.26 -4.88 117.16 112.65 1gwm n TYR 46 Ca 0.03 0.73 -0.31 0.00 -0.16 0.00 0.00 57.90 58.20 1gwm n TYR 46 Cb 0.36 -3.62 0.10 0.00 -0.31 0.00 0.00 39.34 35.87 1gwm n TYR 46 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1gwm s GLY 47 N -4.35 1.66 0.02 2.72 0.00 -1.26 -4.55 107.32 101.56 1gwm s GLY 47 Ca 0.02 0.18 -0.20 0.00 0.00 0.00 0.00 44.72 44.72 1gwm s GLY 47 CO 0.90 0.55 0.45 0.00 0.00 0.00 0.00 173.10 175.00 1gwm s ALA 48 N -2.93 -1.12 0.16 3.20 0.00 -0.07 -0.45 121.76 120.55 1gwm s ALA 48 Ca 0.61 0.51 -0.24 0.00 0.00 0.00 0.00 51.96 52.84 1gwm s ALA 48 Cb -0.17 0.23 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 1gwm s ALA 48 CO 0.56 -0.40 0.75 0.54 0.00 0.00 0.00 175.76 177.21 1gwm s VAL 49 N -2.00 4.42 -0.33 0.00 0.11 -0.82 -1.32 120.40 120.46 1gwm s VAL 49 Ca -0.08 1.62 -0.01 0.00 -2.93 0.00 0.00 61.98 60.57 1gwm s VAL 49 Cb -0.02 -4.09 0.11 0.00 -1.53 0.00 0.00 36.38 30.86 1gwm s VAL 49 CO 0.01 0.50 0.14 -0.55 -3.33 0.00 0.00 175.10 171.88 1gwm s SER 50 N -1.18 3.66 -0.25 3.54 0.15 -1.26 -1.56 113.70 116.79 1gwm s SER 50 Ca 0.36 -1.75 -0.29 0.00 0.70 0.00 0.00 55.95 54.96 1gwm s SER 50 Cb -0.22 -0.66 0.01 0.00 -1.71 0.00 0.00 66.02 63.44 1gwm s SER 50 CO 0.25 -0.39 1.13 -0.76 1.20 0.00 0.00 173.24 174.68 1gwm s LEU 51 N 1.51 4.03 -0.31 3.45 1.43 0.12 -0.48 118.68 128.42 1gwm s LEU 51 Ca 0.12 1.32 -0.09 0.00 -1.03 0.00 0.00 54.13 54.45 1gwm s LEU 51 Cb -0.19 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1gwm s LEU 51 CO -0.21 -0.81 0.13 -0.75 0.23 0.00 0.00 176.35 174.94 1gwm s LYS 52 N 3.54 3.16 -0.19 1.70 2.47 0.20 -1.14 119.74 129.49 1gwm s LYS 52 Ca 0.48 -0.83 -0.29 0.00 -1.56 0.00 0.00 55.97 53.77 1gwm s LYS 52 Cb -0.16 -3.52 -0.02 0.00 -1.46 0.00 0.00 37.83 32.67 1gwm s LYS 52 CO 0.13 -0.47 1.49 0.50 0.16 0.00 0.00 175.35 177.16 1gwm s ARG 53 N 1.56 3.98 0.37 4.03 3.52 0.01 -1.23 118.95 131.19 1gwm s ARG 53 Ca 0.03 1.68 0.12 0.00 -0.13 0.00 0.00 55.73 57.43 1gwm s ARG 53 Cb -0.17 -3.94 0.70 0.00 -1.56 0.00 0.00 34.95 29.98 1gwm s ARG 53 CO 0.05 -1.05 1.82 -0.91 -0.81 0.00 0.00 175.30 174.40 1gwm h ASN 54 N 9.68 0.04 -3.23 -2.12 -0.26 -1.29 -3.40 115.58 115.00 1gwm h ASN 54 Ca -0.32 -0.01 -0.50 0.00 -0.56 0.00 0.00 56.30 54.91 1gwm h ASN 54 Cb 1.14 -0.01 -0.40 0.00 -1.06 0.00 0.00 38.32 37.99 1gwm h ASN 54 CO 0.99 0.40 -0.76 -0.55 -1.06 0.00 0.00 177.43 176.45 1gwm s SER 55 N -6.93 2.65 0.00 5.81 0.15 -1.26 -5.10 113.70 109.02 1gwm s SER 55 Ca -0.03 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1gwm s SER 55 Cb 0.14 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 1gwm s SER 55 CO 0.73 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.48 1gwm n GLY 56 N 5.10 -0.23 3.27 9.45 0.00 -1.26 -5.07 105.19 116.44 1gwm n GLY 56 Ca -0.08 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 1gwm n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gwm s SER 57 N -1.12 1.70 0.24 1.61 0.01 -1.26 -4.77 113.70 110.11 1gwm s SER 57 Ca 0.00 -1.10 0.02 0.00 1.31 0.00 0.00 55.95 56.17 1gwm s SER 57 Cb 0.00 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 1gwm s SER 57 CO 0.00 -0.43 0.40 -0.36 0.41 0.00 0.00 173.24 173.26 1gwm s PHE 58 N -3.41 3.48 -0.06 2.43 0.08 0.22 -4.92 117.98 115.79 1gwm s PHE 58 Ca 0.21 0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.48 1gwm s PHE 58 Cb 0.04 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 1gwm s PHE 58 CO 0.03 0.36 -0.03 1.03 -0.10 0.00 0.00 175.22 176.51 1gwm s ARG 59 N -3.71 0.82 3.23 0.44 0.52 -1.26 -0.60 118.95 118.39 1gwm s ARG 59 Ca 0.37 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 1gwm s ARG 59 Cb -0.10 -0.93 0.00 0.00 0.52 0.00 0.00 34.95 34.44 1gwm s ARG 59 CO 0.30 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.88 1gwm n GLY 60 N 4.41 2.07 7.00 -3.53 0.00 -1.26 -4.79 105.19 109.09 1gwm n GLY 60 Ca -0.19 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1gwm n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwm n GLY 61 N 0.00 1.25 3.24 -0.02 0.00 -1.25 -4.70 105.19 103.71 1gwm n GLY 61 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 1gwm n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gwm s SER 62 N -4.00 -0.09 -0.09 1.61 1.04 -0.09 -0.61 113.70 111.47 1gwm s SER 62 Ca 0.00 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.22 1gwm s SER 62 Cb 0.00 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 1gwm s SER 62 CO 0.00 -0.61 -0.19 -0.76 0.98 0.00 0.00 173.24 172.65 1gwm s LEU 63 N -2.11 2.38 -0.04 2.42 1.43 -0.04 -1.12 118.68 121.60 1gwm s LEU 63 Ca -0.04 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 52.70 1gwm s LEU 63 Cb -0.01 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 1gwm s LEU 63 CO -0.04 0.21 -0.21 -0.60 0.23 0.00 0.00 176.35 175.95 1gwm s ARG 64 N 0.03 2.00 0.00 1.70 3.00 -0.05 -0.58 118.95 125.06 1gwm s ARG 64 Ca -0.07 -0.74 -0.28 0.00 -1.00 0.00 0.00 55.73 53.63 1gwm s ARG 64 Cb -0.15 -1.77 0.10 0.00 0.00 0.00 0.00 34.95 33.12 1gwm s ARG 64 CO 0.05 0.35 0.83 -0.59 0.00 0.00 0.00 175.30 175.94 1gwm s PHE 65 N -0.18 -0.42 -0.16 5.12 -0.71 -0.64 -0.59 117.98 120.41 1gwm s PHE 65 Ca -0.00 0.38 -0.10 0.00 -1.04 0.00 0.00 56.93 56.17 1gwm s PHE 65 Cb -0.11 0.52 -0.05 0.00 -1.21 0.00 0.00 43.02 42.17 1gwm s PHE 65 CO 0.02 -0.58 0.17 -0.51 -1.34 0.00 0.00 175.22 172.98 1gwm s ASP 66 N -2.22 6.33 -0.04 1.98 1.01 -0.09 -0.63 116.67 123.01 1gwm s ASP 66 Ca 0.02 0.38 -0.05 0.00 0.71 0.00 0.00 52.55 53.61 1gwm s ASP 66 Cb -0.01 -2.10 0.01 0.00 1.01 0.00 0.00 42.92 41.83 1gwm s ASP 66 CO -0.07 0.25 0.12 -0.32 0.21 0.00 0.00 175.17 175.36 1gwm s MET 67 N -0.13 0.20 0.14 8.23 1.75 -0.34 -1.44 119.30 127.71 1gwm s MET 67 Ca 0.12 0.07 0.07 0.00 -1.25 0.00 0.00 55.69 54.70 1gwm s MET 67 Cb -0.12 0.09 -0.04 0.00 2.84 0.00 0.00 34.83 37.60 1gwm s MET 67 CO 0.01 -0.03 -0.16 -1.59 -0.65 0.00 0.00 175.02 172.60 1gwm s LYS 68 N -0.18 1.13 -0.29 4.11 -2.85 -0.75 -1.39 119.74 119.51 1gwm s LYS 68 Ca -0.03 -1.31 -0.16 0.00 -1.00 0.00 0.00 55.97 53.47 1gwm s LYS 68 Cb -0.02 -1.09 0.15 0.00 -2.06 0.00 0.00 37.83 34.82 1gwm s LYS 68 CO 0.00 0.21 1.01 0.54 0.10 0.00 0.00 175.35 177.22 1gwm s ASN 69 N -2.53 -0.45 0.35 0.03 4.22 -0.54 -0.93 114.94 115.08 1gwm s ASN 69 Ca 0.12 0.73 0.18 0.00 -2.14 0.00 0.00 52.86 51.75 1gwm s ASN 69 Cb -0.05 1.16 0.52 0.00 1.28 0.00 0.00 41.25 44.16 1gwm s ASN 69 CO 0.04 -0.12 1.65 -0.33 -2.04 0.00 0.00 177.10 176.31 1gwm h GLU 70 N 5.86 0.00 0.00 3.55 5.08 -1.57 -0.69 114.58 126.82 1gwm h GLU 70 Ca -0.28 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.56 1gwm h GLU 70 Cb 1.19 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.31 1gwm h GLU 70 CO 0.20 0.40 -0.46 0.41 -1.00 0.00 0.00 179.01 178.56 1gwm n GLY 71 N 0.53 3.12 3.77 -3.84 0.00 -1.26 -4.78 105.19 102.73 1gwm n GLY 71 Ca 0.00 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 1gwm n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gwm s LYS 72 N -3.45 4.19 -0.15 1.61 1.02 -1.26 -4.05 119.74 117.64 1gwm s LYS 72 Ca 0.28 2.45 0.02 0.00 0.02 0.00 0.00 55.97 58.74 1gwm s LYS 72 Cb 0.01 -3.02 0.02 0.00 -0.52 0.00 0.00 37.83 34.32 1gwm s LYS 72 CO 0.20 -0.45 -0.20 0.08 -0.92 0.00 0.00 175.35 174.06 1gwm s VAL 73 N -0.84 1.97 -0.14 3.17 1.01 -0.45 -2.98 120.40 122.13 1gwm s VAL 73 Ca 0.54 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 1gwm s VAL 73 Cb -0.44 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1gwm s VAL 73 CO 0.56 0.53 0.52 -0.75 0.00 0.00 0.00 175.10 175.96 1gwm s LYS 74 N 1.08 4.30 -0.23 2.72 2.20 -0.30 -0.55 119.74 128.96 1gwm s LYS 74 Ca -0.01 0.48 -0.10 0.00 -0.36 0.00 0.00 55.97 55.99 1gwm s LYS 74 Cb -0.14 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 1gwm s LYS 74 CO -0.07 0.03 0.13 0.42 -0.36 0.00 0.00 175.35 175.51 1gwm s ILE 75 N 1.02 5.17 0.17 5.43 -1.09 0.27 -0.80 121.20 131.36 1gwm s ILE 75 Ca 0.26 0.11 0.06 0.00 -2.23 0.00 0.00 60.65 58.86 1gwm s ILE 75 Cb -0.15 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1gwm s ILE 75 CO 0.11 0.37 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.29 1gwm s LEU 76 N 0.98 2.50 0.22 2.97 1.02 -0.57 -0.29 118.68 125.51 1gwm s LEU 76 Ca 0.07 -0.95 0.10 0.00 0.02 0.00 0.00 54.13 53.36 1gwm s LEU 76 Cb -0.13 -0.57 -0.05 0.00 0.02 0.00 0.00 46.19 45.46 1gwm s LEU 76 CO 0.04 -0.19 -0.19 0.68 0.02 0.00 0.00 176.35 176.70 1gwm s VAL 77 N -2.77 2.12 0.03 -1.59 -7.23 -0.23 -0.51 120.40 110.22 1gwm s VAL 77 Ca 0.17 -2.19 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 1gwm s VAL 77 Cb -0.01 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 1gwm s VAL 77 CO 0.04 -0.39 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.79 1gwm s GLU 78 N -3.26 0.39 -0.41 4.82 2.02 -0.32 -0.76 118.70 121.18 1gwm s GLU 78 Ca 0.23 -0.67 -0.13 0.00 0.02 0.00 0.00 54.97 54.42 1gwm s GLU 78 Cb -0.04 -0.03 0.04 0.00 0.10 0.00 0.00 34.13 34.20 1gwm s GLU 78 CO 0.10 -0.02 0.29 1.21 0.02 0.00 0.00 175.26 176.86 1gwm s ASN 79 N -1.52 5.94 0.33 -0.19 3.84 0.12 -1.28 114.94 122.18 1gwm s ASN 79 Ca -0.14 -1.10 0.12 0.00 0.21 0.00 0.00 52.86 51.96 1gwm s ASN 79 Cb -0.10 -2.10 0.57 0.00 -0.55 0.00 0.00 41.25 39.07 1gwm s ASN 79 CO -0.01 -0.48 1.73 0.77 -2.79 0.00 0.00 177.10 176.32 1gwm h SER 80 N 8.57 0.00 -0.43 -4.21 4.64 -1.88 -0.38 113.55 119.85 1gwm h SER 80 Ca -0.26 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.99 1gwm h SER 80 Cb 1.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1gwm h SER 80 CO 0.75 0.48 0.00 -0.08 -0.87 0.00 0.00 176.83 177.11 1gwm h GLU 81 N 0.00 0.77 -0.00 4.77 4.81 -1.97 -2.94 114.58 120.02 1gwm h GLU 81 Ca -0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1gwm h GLU 81 Cb 0.86 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1gwm h GLU 81 CO 0.06 0.84 -0.44 0.00 -0.73 0.00 0.00 179.01 178.74 1gwm n ALA 82 N -2.42 3.45 -3.85 2.92 0.00 -1.17 -4.97 120.51 114.47 1gwm n ALA 82 Ca -0.00 -0.40 -0.25 0.00 0.00 0.00 0.00 53.44 52.78 1gwm n ALA 82 Cb 0.30 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.67 1gwm n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1gwm n ASP 83 N -1.09 -2.00 -4.43 0.00 2.03 -0.21 -4.97 116.55 105.88 1gwm n ASP 83 Ca 0.08 -0.87 -0.33 0.00 0.52 0.00 0.00 54.79 54.19 1gwm n ASP 83 Cb 0.35 -3.69 -0.13 0.00 -0.72 0.00 0.00 41.12 36.92 1gwm n ASP 83 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1gwm s GLU 84 N -6.34 3.24 0.25 -0.67 2.56 -0.86 -4.97 118.70 111.90 1gwm s GLU 84 Ca 0.22 -0.64 0.10 0.00 0.00 0.00 0.00 54.97 54.64 1gwm s GLU 84 Cb -0.11 -2.64 -0.04 0.00 2.00 0.00 0.00 34.13 33.34 1gwm s GLU 84 CO 0.84 0.33 -0.05 -1.59 -0.56 0.00 0.00 175.26 174.23 1gwm s LYS 85 N 0.07 2.18 -0.13 4.30 -2.85 -1.26 -0.70 119.74 121.34 1gwm s LYS 85 Ca -0.04 -1.42 -0.06 0.00 -1.00 0.00 0.00 55.97 53.46 1gwm s LYS 85 Cb -0.14 -2.12 0.06 0.00 -2.06 0.00 0.00 37.83 33.56 1gwm s LYS 85 CO 0.04 0.38 0.28 0.12 0.10 0.00 0.00 175.35 176.27 1gwm s PHE 86 N -2.20 -0.43 -0.28 1.78 5.36 0.06 -4.99 117.98 117.28 1gwm s PHE 86 Ca 0.30 0.97 -0.27 0.00 -0.96 0.00 0.00 56.93 56.97 1gwm s PHE 86 Cb -0.07 0.05 0.01 0.00 -0.34 0.00 0.00 43.02 42.67 1gwm s PHE 86 CO 0.18 -0.32 0.99 -2.00 -1.46 0.00 0.00 175.22 172.61 1gwm s GLU 87 N 1.90 4.11 -0.09 10.12 2.12 -1.26 -1.06 118.70 134.54 1gwm s GLU 87 Ca -0.04 1.05 -0.24 0.00 0.36 0.00 0.00 54.97 56.10 1gwm s GLU 87 Cb -0.11 -3.70 -0.29 0.00 0.26 0.00 0.00 34.13 30.29 1gwm s GLU 87 CO -0.09 -0.74 0.80 0.28 -0.54 0.00 0.00 175.26 174.96 1gwm h VAL 88 N 5.59 1.55 -1.65 3.70 2.07 -1.00 -3.49 116.25 123.03 1gwm h VAL 88 Ca -0.21 -2.45 0.15 0.00 0.82 0.00 0.00 66.70 65.01 1gwm h VAL 88 Cb 1.07 3.19 -0.21 0.00 -1.52 0.00 0.00 31.29 33.83 1gwm h VAL 88 CO 0.97 0.66 0.65 -0.70 0.02 0.00 0.00 177.57 179.17 1gwm s GLU 89 N -2.36 0.51 -0.16 1.57 2.56 -1.15 -4.98 118.70 114.69 1gwm s GLU 89 Ca -0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.97 54.75 1gwm s GLU 89 Cb -0.00 0.24 -0.01 0.00 2.00 0.00 0.00 34.13 36.36 1gwm s GLU 89 CO 0.77 -0.19 -0.12 0.99 -0.56 0.00 0.00 175.26 176.14 1gwm s THR 90 N -1.90 2.93 -0.15 -1.70 2.01 -1.26 -0.57 115.64 115.00 1gwm s THR 90 Ca 0.04 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.31 1gwm s THR 90 Cb -0.01 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1gwm s THR 90 CO -0.04 0.50 0.02 -0.63 -0.69 0.00 0.00 174.62 173.78 1gwm s ILE 91 N 0.85 4.45 0.77 1.82 1.01 0.29 -4.93 121.20 125.46 1gwm s ILE 91 Ca -0.04 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 1gwm s ILE 91 Cb -0.15 -2.96 0.05 0.00 0.01 0.00 0.00 42.46 39.41 1gwm s ILE 91 CO 0.00 0.51 1.08 -0.44 0.00 0.00 0.00 174.94 176.09 1gwm s SER 92 N 0.01 4.70 0.66 3.58 0.01 -1.26 -1.34 113.70 120.05 1gwm s SER 92 Ca 0.04 1.58 -0.18 0.00 1.31 0.00 0.00 55.95 58.70 1gwm s SER 92 Cb -0.13 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1gwm s SER 92 CO 0.02 -1.87 1.21 -2.65 0.41 0.00 0.00 173.24 170.35 1gwm n PRO 93 N -3.40 0.98 -3.71 12.44 -0.02 -1.26 -4.84 135.00 135.20 1gwm n PRO 93 Ca 0.08 0.39 -0.12 0.00 -2.02 0.00 0.00 63.50 61.83 1gwm n PRO 93 Cb 0.54 -2.45 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 1gwm n PRO 93 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1gwm s SER 94 N -1.42 -0.49 0.00 2.55 0.15 -0.27 -4.99 113.70 109.24 1gwm s SER 94 Ca 0.81 0.89 0.24 0.00 0.70 0.00 0.00 55.95 58.59 1gwm s SER 94 Cb -0.38 0.83 1.03 0.00 -1.71 0.00 0.00 66.02 65.79 1gwm s SER 94 CO 0.42 -0.17 1.72 -0.90 1.20 0.00 0.00 173.24 175.51 1gwm n ASP 95 N 3.61 1.19 -4.21 5.45 5.68 -1.26 -1.47 116.55 125.54 1gwm n ASP 95 Ca -0.19 -1.52 -0.17 0.00 -0.50 0.00 0.00 54.79 52.42 1gwm n ASP 95 Cb 0.56 -0.04 -0.11 0.00 -1.14 0.00 0.00 41.12 40.39 1gwm n ASP 95 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1gwm s GLU 96 N -1.91 0.93 0.33 0.11 0.41 -1.26 -4.97 118.70 112.33 1gwm s GLU 96 Ca 0.35 -1.17 -0.29 0.00 -0.41 0.00 0.00 54.97 53.46 1gwm s GLU 96 Cb 0.19 -0.75 -0.11 0.00 -1.78 0.00 0.00 34.13 31.68 1gwm s GLU 96 CO 0.29 0.14 1.48 0.71 -0.49 0.00 0.00 175.26 177.39 1gwm s TYR 97 N -2.12 2.74 -0.01 1.61 2.02 -1.26 -4.48 117.35 115.85 1gwm s TYR 97 Ca 0.06 1.09 0.05 0.00 -0.37 0.00 0.00 57.07 57.89 1gwm s TYR 97 Cb -0.05 -3.96 -0.01 0.00 -0.40 0.00 0.00 41.96 37.54 1gwm s TYR 97 CO 0.02 -2.94 -0.15 0.08 -1.57 0.00 0.00 175.55 170.98 1gwm s VAL 98 N -0.71 1.21 -0.20 0.71 1.01 -0.48 -4.91 120.40 117.03 1gwm s VAL 98 Ca 0.56 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 1gwm s VAL 98 Cb -0.45 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1gwm s VAL 98 CO 0.56 0.34 0.64 -0.89 0.00 0.00 0.00 175.10 175.75 1gwm s THR 99 N -0.31 5.01 -0.05 3.92 2.01 -1.26 -1.20 115.64 123.76 1gwm s THR 99 Ca 0.05 1.20 0.01 0.00 0.31 0.00 0.00 61.69 63.26 1gwm s THR 99 Cb -0.06 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1gwm s THR 99 CO -0.00 0.10 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.69 1gwm s TYR 100 N 1.96 3.04 -0.21 4.92 2.02 0.19 -4.98 117.35 124.29 1gwm s TYR 100 Ca 0.29 0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 57.05 1gwm s TYR 100 Cb -0.16 -1.71 0.06 0.00 -0.40 0.00 0.00 41.96 39.76 1gwm s TYR 100 CO 0.10 0.42 0.03 0.42 -1.57 0.00 0.00 175.55 174.95 1gwm s ILE 101 N -0.93 0.61 -0.11 2.71 1.01 -1.26 -1.61 121.20 121.62 1gwm s ILE 101 Ca 0.15 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.18 1gwm s ILE 101 Cb -0.11 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.23 1gwm s ILE 101 CO 0.05 -0.24 -0.23 -0.76 0.00 0.00 0.00 174.94 173.76 1gwm s LEU 102 N 1.81 2.11 0.31 2.97 1.43 0.26 -4.90 118.68 122.67 1gwm s LEU 102 Ca -0.01 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.24 1gwm s LEU 102 Cb -0.17 -1.42 -0.10 0.00 0.03 0.00 0.00 46.19 44.53 1gwm s LEU 102 CO -0.09 0.14 1.25 -1.81 0.23 0.00 0.00 176.35 176.07 1gwm s ASP 103 N 0.45 6.92 -0.41 2.29 1.01 -1.26 -0.86 116.67 124.81 1gwm s ASP 103 Ca -0.16 2.56 -0.05 0.00 0.71 0.00 0.00 52.55 55.61 1gwm s ASP 103 Cb -0.17 -2.64 0.10 0.00 1.01 0.00 0.00 42.92 41.21 1gwm s ASP 103 CO 0.06 -0.42 0.22 -0.69 0.21 0.00 0.00 175.17 174.55 1gwm s VAL 104 N -1.10 3.62 -2.40 -1.27 1.01 0.22 -4.90 120.40 115.58 1gwm s VAL 104 Ca 0.48 -1.79 0.22 0.00 0.00 0.00 0.00 61.98 60.89 1gwm s VAL 104 Cb -0.37 -3.36 0.44 0.00 0.00 0.00 0.00 36.38 33.08 1gwm s VAL 104 CO 0.49 -0.60 1.51 0.47 0.00 0.00 0.00 175.10 176.96 1gwm n ASP 105 N 4.72 2.21 -4.72 3.32 8.00 -1.26 -3.79 116.55 125.03 1gwm n ASP 105 Ca -0.06 -1.79 -0.42 0.00 0.71 0.00 0.00 54.79 53.24 1gwm n ASP 105 Cb 0.42 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1gwm n ASP 105 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1gwm n PHE 106 N 0.69 2.38 -1.04 1.24 7.35 -1.26 -4.92 117.46 121.89 1gwm n PHE 106 Ca 0.17 0.51 0.09 0.00 -0.76 0.00 0.00 57.45 57.45 1gwm n PHE 106 Cb 0.42 -2.43 0.23 0.00 0.35 0.00 0.00 39.48 38.05 1gwm n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1gwm n ASP 107 N 0.45 3.43 -4.54 -2.13 5.68 -1.26 -4.39 116.55 113.79 1gwm n ASP 107 Ca 0.05 -3.07 -0.26 0.00 -0.50 0.00 0.00 54.79 51.00 1gwm n ASP 107 Cb 0.38 -0.52 -0.10 0.00 -1.14 0.00 0.00 41.12 39.75 1gwm n ASP 107 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1gwm s LEU 108 N -2.86 2.86 0.76 -2.12 1.43 -1.26 -5.09 118.68 112.39 1gwm s LEU 108 Ca 0.40 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.68 1gwm s LEU 108 Cb 0.33 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 45.07 1gwm s LEU 108 CO 0.07 0.10 1.23 -2.84 0.23 0.00 0.00 176.35 175.13 1gwm s PRO 109 N -2.90 1.94 0.00 1.29 0.02 -1.26 -4.67 135.00 129.42 1gwm s PRO 109 Ca 0.25 1.83 0.05 0.00 0.02 0.00 0.00 61.00 63.14 1gwm s PRO 109 Cb -0.08 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.62 1gwm s PRO 109 CO 0.14 -2.00 -0.14 -0.59 -0.33 0.00 0.00 177.00 174.08 1gwm s PHE 110 N -1.94 1.27 0.00 6.54 -0.71 0.23 -4.28 117.98 119.10 1gwm s PHE 110 Ca 0.76 -0.27 0.00 0.00 -1.04 0.00 0.00 56.93 56.38 1gwm s PHE 110 Cb -0.31 -0.80 0.00 0.00 -1.21 0.00 0.00 43.02 40.70 1gwm s PHE 110 CO 0.47 -0.00 0.48 -0.40 -1.34 0.00 0.00 175.22 174.43 1gwm n ASP 111 N 2.51 0.96 -4.15 1.98 5.75 -0.40 -0.61 116.55 122.58 1gwm n ASP 111 Ca -0.15 -1.07 -0.25 0.00 -0.01 0.00 0.00 54.79 53.30 1gwm n ASP 111 Cb 0.55 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.48 1gwm n ASP 111 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1gwm s ARG 112 N -0.07 1.63 -0.15 0.11 0.52 -0.91 -0.81 118.95 119.27 1gwm s ARG 112 Ca 0.00 -0.61 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 1gwm s ARG 112 Cb 0.00 -1.47 0.02 0.00 0.52 0.00 0.00 34.95 34.02 1gwm s ARG 112 CO 0.00 0.29 -0.17 0.42 0.02 0.00 0.00 175.30 175.87 1gwm s ILE 113 N -0.14 1.73 -0.06 1.52 1.01 -0.29 -1.17 121.20 123.81 1gwm s ILE 113 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 59.95 1gwm s ILE 113 Cb -0.10 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1gwm s ILE 113 CO 0.01 0.49 -0.20 -1.81 0.00 0.00 0.00 174.94 173.43 1gwm s ASP 114 N 1.25 3.56 -0.26 3.58 1.01 0.34 -0.70 116.67 125.45 1gwm s ASP 114 Ca 0.01 -0.36 0.02 0.00 0.71 0.00 0.00 52.55 52.93 1gwm s ASP 114 Cb -0.14 -0.86 0.06 0.00 1.01 0.00 0.00 42.92 43.00 1gwm s ASP 114 CO -0.08 0.29 -0.08 -0.36 0.21 0.00 0.00 175.17 175.15 1gwm s PHE 115 N -0.39 3.00 -0.05 4.23 0.40 -0.60 -1.52 117.98 123.06 1gwm s PHE 115 Ca 0.04 -2.19 0.04 0.00 -0.60 0.00 0.00 56.93 54.22 1gwm s PHE 115 Cb -0.12 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.49 1gwm s PHE 115 CO 0.02 -0.85 -0.17 -1.14 0.70 0.00 0.00 175.22 173.78 1gwm s GLN 116 N 1.19 2.44 -1.12 0.44 0.74 0.02 -1.94 119.66 121.42 1gwm s GLN 116 Ca -0.06 -0.75 -0.22 0.00 0.05 0.00 0.00 55.36 54.38 1gwm s GLN 116 Cb -0.20 -2.31 -0.02 0.00 1.10 0.00 0.00 33.01 31.58 1gwm s GLN 116 CO -0.06 0.60 1.83 0.34 -0.55 0.00 0.00 175.29 177.45 1gwm s ASP 117 N -0.68 5.65 0.25 6.67 2.15 0.40 -1.15 116.67 129.97 1gwm s ASP 117 Ca 0.11 -1.59 -0.05 0.00 0.43 0.00 0.00 52.55 51.45 1gwm s ASP 117 Cb -0.11 -2.58 0.35 0.00 -0.30 0.00 0.00 42.92 40.28 1gwm s ASP 117 CO 0.00 -2.37 1.87 0.00 -0.17 0.00 0.00 175.17 174.50 1gwm h ALA 118 N 9.61 1.25 0.00 3.66 0.00 -1.84 -1.84 119.26 130.11 1gwm h ALA 118 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1gwm h ALA 118 Cb 0.95 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1gwm h ALA 118 CO 1.30 0.36 0.00 -1.35 0.00 0.00 0.00 179.25 179.57 1gwm h PRO 119 N 1.07 0.00 -0.61 0.00 0.11 -1.89 -3.47 132.00 127.20 1gwm h PRO 119 Ca 0.39 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.29 1gwm h PRO 119 Cb 0.14 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.18 1gwm h PRO 119 CO -0.16 0.00 -0.20 0.41 -0.21 0.00 0.00 178.00 177.84 1gwm n GLY 120 N 0.62 1.01 1.06 -0.55 0.00 -0.69 -4.91 105.19 101.73 1gwm n GLY 120 Ca 0.03 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.61 1gwm n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gwm n ASN 121 N 0.31 3.20 0.00 1.61 3.02 -1.26 -0.67 115.26 121.47 1gwm n ASN 121 Ca -0.10 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.48 1gwm n ASN 121 Cb 0.37 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1gwm n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gwm n GLY 122 N 1.44 0.57 3.73 7.41 0.00 -1.26 -4.71 105.19 112.36 1gwm n GLY 122 Ca 0.18 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1gwm n GLY 122 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gwm n ASP 123 N 0.29 3.57 -4.84 1.61 8.00 -1.26 -4.40 116.55 119.52 1gwm n ASP 123 Ca 0.00 1.15 -0.32 0.00 0.71 0.00 0.00 54.79 56.33 1gwm n ASP 123 Cb 0.00 -1.55 -0.03 0.00 -0.02 0.00 0.00 41.12 39.52 1gwm n ASP 123 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1gwm s ARG 124 N -0.63 3.86 -0.03 -1.24 0.52 -1.26 -4.42 118.95 115.75 1gwm s ARG 124 Ca 0.64 0.94 0.01 0.00 -0.52 0.00 0.00 55.73 56.80 1gwm s ARG 124 Cb -0.53 -2.12 0.01 0.00 0.52 0.00 0.00 34.95 32.83 1gwm s ARG 124 CO 0.50 -0.35 -0.05 0.42 0.02 0.00 0.00 175.30 175.84 1gwm s ILE 125 N -2.70 0.52 -0.09 1.52 1.01 -0.70 -1.74 121.20 119.02 1gwm s ILE 125 Ca 0.59 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 61.09 1gwm s ILE 125 Cb -0.10 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.87 1gwm s ILE 125 CO 0.35 0.19 -0.22 0.26 0.00 0.00 0.00 174.94 175.52 1gwm s TRP 126 N 0.44 2.33 -0.02 3.97 0.51 -0.11 -0.17 118.94 125.90 1gwm s TRP 126 Ca -0.06 -0.91 0.03 0.00 -2.12 0.00 0.00 56.10 53.04 1gwm s TRP 126 Cb -0.09 -1.57 -0.00 0.00 -0.81 0.00 0.00 33.47 30.99 1gwm s TRP 126 CO -0.00 -0.37 -0.11 0.42 -0.51 0.00 0.00 176.95 176.38 1gwm s ILE 127 N 0.34 0.92 0.07 2.03 -1.09 -0.10 -1.82 121.20 121.55 1gwm s ILE 127 Ca -0.16 -0.47 -0.00 0.00 -2.23 0.00 0.00 60.65 57.79 1gwm s ILE 127 Cb -0.17 -0.79 -0.04 0.00 -1.58 0.00 0.00 42.46 39.88 1gwm s ILE 127 CO 0.07 0.27 -0.03 -0.54 -1.23 0.00 0.00 174.94 173.48 1gwm s LYS 128 N -0.06 0.69 -1.22 2.79 1.02 -0.52 -1.20 119.74 121.24 1gwm s LYS 128 Ca 0.01 -1.27 -0.00 0.00 0.02 0.00 0.00 55.97 54.73 1gwm s LYS 128 Cb -0.07 0.10 -0.00 0.00 -0.52 0.00 0.00 37.83 37.35 1gwm s LYS 128 CO 0.00 -0.10 0.93 0.09 -0.92 0.00 0.00 175.35 175.35 1gwm n ASN 129 N 0.05 -1.87 -4.65 2.83 3.02 -0.36 -0.91 115.26 113.37 1gwm n ASN 129 Ca -0.13 -0.67 -0.41 0.00 -0.03 0.00 0.00 54.58 53.35 1gwm n ASN 129 Cb 0.61 -4.88 -0.05 0.00 -0.61 0.00 0.00 39.78 34.85 1gwm n ASN 129 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1gwm s LEU 130 N -6.43 4.13 -0.01 3.41 2.96 -0.03 -3.81 118.68 118.91 1gwm s LEU 130 Ca 0.00 0.95 0.02 0.00 -0.22 0.00 0.00 54.13 54.88 1gwm s LEU 130 Cb -0.00 -3.04 -0.00 0.00 0.50 0.00 0.00 46.19 43.65 1gwm s LEU 130 CO 0.75 -0.37 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.67 1gwm s VAL 131 N 2.24 0.41 -0.11 1.68 1.01 0.24 -0.56 120.40 125.30 1gwm s VAL 131 Ca 0.32 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1gwm s VAL 131 Cb -0.16 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1gwm s VAL 131 CO 0.10 0.12 0.04 -2.28 0.00 0.00 0.00 175.10 173.09 1gwm s HIS 132 N 0.01 3.28 0.02 5.22 2.46 -0.07 -0.87 115.29 125.34 1gwm s HIS 132 Ca 0.00 0.25 0.08 0.00 0.47 0.00 0.00 55.06 55.86 1gwm s HIS 132 Cb -0.04 -1.87 -0.03 0.00 -0.13 0.00 0.00 32.58 30.52 1gwm s HIS 132 CO -0.00 0.48 -0.23 0.45 -2.47 0.00 0.00 174.74 172.96 1gwm s SER 133 N -0.71 3.35 0.14 9.88 0.15 -0.28 -0.33 113.70 125.90 1gwm s SER 133 Ca 0.12 -0.49 0.22 0.00 0.70 0.00 0.00 55.95 56.49 1gwm s SER 133 Cb -0.12 -0.42 0.87 0.00 -1.71 0.00 0.00 66.02 64.64 1gwm s SER 133 CO 0.02 0.28 1.67 0.35 1.20 0.00 0.00 173.24 176.76 1gwm n THR 134 N 1.92 0.75 -2.74 6.45 -2.24 -0.72 -0.92 114.28 116.79 1gwm n THR 134 Ca -0.17 0.13 -0.22 0.00 -2.27 0.00 0.00 64.05 61.52 1gwm n THR 134 Cb 0.52 -0.94 0.09 0.00 -2.10 0.00 0.00 70.33 67.90 1gwm n THR 134 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1gwm s GLY 135 N -3.31 1.75 0.74 3.38 0.00 -1.26 -3.78 107.32 104.84 1gwm s GLY 135 Ca 0.07 -1.89 -0.11 0.00 0.00 0.00 0.00 44.72 42.79 1gwm s GLY 135 CO 0.40 -1.35 1.08 -1.35 0.00 0.00 0.00 173.10 171.88 1gwm s SER 136 N -4.72 5.01 0.23 1.64 1.04 -1.26 -2.63 113.70 113.01 1gwm s SER 136 Ca 0.65 1.41 -0.08 0.00 0.48 0.00 0.00 55.95 58.41 1gwm s SER 136 Cb -0.05 -2.22 0.20 0.00 0.10 0.00 0.00 66.02 64.04 1gwm s SER 136 CO 0.43 -1.65 1.87 0.00 0.98 0.00 0.00 173.24 174.87 1gwm h ALA 137 N -0.87 1.11 0.00 5.32 0.00 -1.87 -1.95 119.26 121.00 1gwm h ALA 137 Ca -0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1gwm h ALA 137 Cb 1.24 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1gwm h ALA 137 CO 0.59 0.57 -0.11 0.22 0.00 0.00 0.00 179.25 180.52 1gwm h ASP 138 N 1.20 0.00 -0.30 0.00 3.58 -1.93 -2.39 116.42 116.58 1gwm h ASP 138 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1gwm h ASP 138 Cb -0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1gwm h ASP 138 CO -0.06 0.11 0.00 0.47 -2.88 0.00 0.00 179.24 176.88 1gwm n ASP 139 N -4.01 2.63 -4.70 2.28 8.00 -0.78 -4.97 116.55 115.01 1gwm n ASP 139 Ca -0.02 -1.88 -0.42 0.00 0.71 0.00 0.00 54.79 53.18 1gwm n ASP 139 Cb 0.20 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 1gwm n ASP 139 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1gwm s PHE 140 N -1.62 3.47 -0.13 1.24 2.19 -0.90 -4.89 117.98 117.34 1gwm s PHE 140 Ca 0.35 1.49 0.03 0.00 0.33 0.00 0.00 56.93 59.13 1gwm s PHE 140 Cb 0.20 -3.26 0.01 0.00 -1.31 0.00 0.00 43.02 38.66 1gwm s PHE 140 CO 0.29 -0.58 -0.21 0.08 1.83 0.00 0.00 175.22 176.62 1gwm s VAL 141 N 1.65 1.98 0.12 3.12 1.01 -1.26 -5.07 120.40 121.95 1gwm s VAL 141 Ca 0.53 -0.94 -0.35 0.00 0.00 0.00 0.00 61.98 61.21 1gwm s VAL 141 Cb -0.22 -1.75 -0.15 0.00 0.00 0.00 0.00 36.38 34.26 1gwm s VAL 141 CO 0.23 0.54 1.49 0.47 0.00 0.00 0.00 175.10 177.83 1gwm n ASP 142 N 3.99 2.53 -4.66 3.32 8.00 -1.26 -4.93 116.55 123.54 1gwm n ASP 142 Ca -0.20 1.09 -0.42 0.00 0.71 0.00 0.00 54.79 55.98 1gwm n ASP 142 Cb 0.52 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 1gwm n ASP 142 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1gwm n PRO 143 N 3.17 1.70 0.23 -0.24 -0.02 -1.26 -4.87 135.00 133.72 1gwm n PRO 143 Ca 0.18 0.60 0.11 0.00 -2.02 0.00 0.00 63.50 62.37 1gwm n PRO 143 Cb 0.25 -2.19 0.69 0.00 -0.02 0.00 0.00 33.50 32.24 1gwm n PRO 143 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1gwm h ILE 144 N 1.99 0.88 0.00 4.25 3.07 -1.99 -1.41 117.51 124.30 1gwm h ILE 144 Ca -0.45 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 65.96 1gwm h ILE 144 Cb 1.31 0.96 -0.00 0.00 -0.27 0.00 0.00 36.82 38.82 1gwm h ILE 144 CO 0.59 0.00 -0.00 -0.55 -1.05 0.00 0.00 178.15 177.14 1gwm h ASN 145 N 0.00 0.00 1.40 2.16 7.08 -1.92 -2.10 115.58 122.20 1gwm h ASN 145 Ca 0.03 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.25 1gwm h ASN 145 Cb 0.14 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.38 1gwm h ASN 145 CO -0.00 0.00 -0.03 -0.07 -2.08 0.00 0.00 177.43 175.25 1gwm h LEU 146 N 0.00 0.00-10.08 6.14 3.38 -1.61 -3.45 115.31 109.69 1gwm h LEU 146 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1gwm h LEU 146 Cb 0.12 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.02 1gwm h LEU 146 CO 0.00 0.03 0.56 -1.61 0.09 0.00 0.00 178.44 177.51 1gwm s GLU 147 N -3.47 2.83 0.47 1.13 2.02 -0.79 -4.88 118.70 116.01 1gwm s GLU 147 Ca 0.03 2.13 0.20 0.00 0.02 0.00 0.00 54.97 57.35 1gwm s GLU 147 Cb 0.07 -2.03 1.20 0.00 0.10 0.00 0.00 34.13 33.47 1gwm s GLU 147 CO 0.60 -1.40 1.95 0.45 0.02 0.00 0.00 175.26 176.89 1gwm h HIS 148 N 0.97 0.28 -1.47 1.61 3.86 -1.89 -3.41 115.15 115.09 1gwm h HIS 148 Ca -0.51 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1gwm h HIS 148 Cb 1.32 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1gwm h HIS 148 CO 0.44 0.11 0.00 -2.39 0.86 0.00 0.00 177.93 176.94 1gwm n HIS 149 N -4.43 -0.18 -3.35 2.45 -0.00 -1.26 -5.15 115.22 103.30 1gwm n HIS 149 Ca 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.82 1gwm n HIS 149 Cb 0.56 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.50 1gwm n HIS 149 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1gwm s HIS 150 N -3.10 -1.21 -0.38 -1.40 2.46 -1.26 -4.94 115.29 105.47 1gwm s HIS 150 Ca 0.00 1.49 -0.06 0.00 0.47 0.00 0.00 55.06 56.96 1gwm s HIS 150 Cb 0.00 0.39 0.07 0.00 -0.13 0.00 0.00 32.58 32.91 1gwm s HIS 150 CO 0.00 -0.74 0.17 -1.58 -2.47 0.00 0.00 174.74 170.12 1gwm s HIS 151 N 2.73 3.36 0.18 3.88 5.65 -1.26 -5.08 115.29 124.76 1gwm s HIS 151 Ca 0.11 -1.75 -0.31 0.00 0.25 0.00 0.00 55.06 53.36 1gwm s HIS 151 Cb -0.14 -2.73 -0.09 0.00 -1.18 0.00 0.00 32.58 28.43 1gwm s HIS 151 CO -0.18 -0.84 1.47 -1.58 -0.65 0.00 0.00 174.74 172.96 1gwm s HIS 152 N 1.33 3.11 -0.75 3.88 2.46 -1.26 -5.29 115.29 118.76 1gwm s HIS 152 Ca 0.02 0.87 0.06 0.00 0.47 0.00 0.00 55.06 56.48 1gwm s HIS 152 Cb -0.22 -3.81 0.05 0.00 -0.13 0.00 0.00 32.58 28.47 1gwm s HIS 152 CO 0.00 -2.83 0.69 0.72 -2.47 0.00 0.00 174.74 170.85