#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl s ILE 2 N 0.00 4.77 0.10 3.17 -1.09 -0.24 -4.85 121.20 123.06 2wdl s ILE 2 Ca 0.00 0.94 -0.13 0.00 -2.23 0.00 0.00 60.65 59.23 2wdl s ILE 2 Cb 0.00 -3.75 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 2wdl s ILE 2 CO 0.00 0.18 0.30 0.00 -1.23 0.00 0.00 174.94 174.19 2wdl s GLN 3 N -2.09 0.95 -0.59 2.79 -2.07 -1.26 -0.26 119.66 117.13 2wdl s GLN 3 Ca 0.41 -0.81 -0.32 0.00 -1.82 0.00 0.00 55.36 52.82 2wdl s GLN 3 Cb -0.15 0.41 -0.14 0.00 -1.09 0.00 0.00 33.01 32.04 2wdl s GLN 3 CO 0.20 -0.34 2.41 -0.35 -1.32 0.00 0.00 175.29 175.88 2wdl n PRO 4 N -0.11 0.69 0.00 9.60 -0.04 -1.26 -0.43 135.00 143.44 2wdl n PRO 4 Ca -0.16 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2wdl n PRO 4 Cb 0.63 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 2wdl n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2wdl n GLN 5 N 8.48 0.00 -1.98 0.54 -0.06 -0.82 -4.97 117.38 118.58 2wdl n GLN 5 Ca 0.48 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 55.08 2wdl n GLN 5 Cb 0.25 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.41 2wdl n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2wdl s THR 6 N -0.67 2.42 -0.06 1.69 2.01 0.42 -4.68 115.64 116.77 2wdl s THR 6 Ca 0.00 0.42 -0.14 0.00 0.31 0.00 0.00 61.69 62.28 2wdl s THR 6 Cb 0.00 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 2wdl s THR 6 CO 0.00 0.10 0.36 -0.31 -0.69 0.00 0.00 174.62 174.08 2wdl s TYR 7 N -1.14 3.63 -0.13 4.92 1.51 -1.26 -1.22 117.35 123.67 2wdl s TYR 7 Ca 0.51 0.84 0.02 0.00 -1.01 0.00 0.00 57.07 57.43 2wdl s TYR 7 Cb -0.43 -2.29 0.01 0.00 -0.11 0.00 0.00 41.96 39.14 2wdl s TYR 7 CO 0.57 0.51 -0.19 -0.51 -1.11 0.00 0.00 175.55 174.81 2wdl s LEU 8 N -0.52 1.95 0.10 -1.29 2.01 0.22 -4.82 118.68 116.33 2wdl s LEU 8 Ca 0.21 -0.53 -0.31 0.00 0.01 0.00 0.00 54.13 53.51 2wdl s LEU 8 Cb -0.15 -1.30 -0.07 0.00 0.01 0.00 0.00 46.19 44.68 2wdl s LEU 8 CO 0.10 0.06 1.35 -0.70 1.01 0.00 0.00 176.35 178.17 2wdl s GLU 9 N 0.86 4.34 0.08 1.70 2.56 -0.28 -1.75 118.70 126.22 2wdl s GLU 9 Ca -0.07 2.01 -0.18 0.00 0.00 0.00 0.00 54.97 56.72 2wdl s GLU 9 Cb -0.15 -3.28 -0.07 0.00 2.00 0.00 0.00 34.13 32.63 2wdl s GLU 9 CO -0.01 -0.40 0.55 0.14 -0.56 0.00 0.00 175.26 174.98 2wdl s VAL 10 N 1.13 4.78 -0.64 3.70 -7.23 -1.20 -0.71 120.40 120.23 2wdl s VAL 10 Ca 0.63 1.13 0.06 0.00 -1.81 0.00 0.00 61.98 61.99 2wdl s VAL 10 Cb -0.35 -3.86 0.21 0.00 0.56 0.00 0.00 36.38 32.94 2wdl s VAL 10 CO 0.30 0.51 0.60 0.00 -0.31 0.00 0.00 175.10 176.20 2wdl n ALA 11 N 1.59 3.62 0.00 1.32 0.00 -0.29 -4.89 120.51 121.87 2wdl n ALA 11 Ca -0.10 -4.49 0.00 0.00 0.00 0.00 0.00 53.44 48.85 2wdl n ALA 11 Cb 0.51 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2wdl n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdl n ASP 12 N 1.47 0.00 -0.48 0.00 3.85 -1.26 -3.03 116.55 117.09 2wdl n ASP 12 Ca 0.25 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.33 2wdl n ASP 12 Cb 0.40 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.17 2wdl n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 2wdl n ASN 13 N 0.00 0.36 0.19 -1.12 0.23 -1.26 -3.94 115.26 109.72 2wdl n ASN 13 Ca 0.00 -0.75 0.08 0.00 -0.53 0.00 0.00 54.58 53.37 2wdl n ASN 13 Cb 0.00 -0.18 0.40 0.00 -2.08 0.00 0.00 39.78 37.92 2wdl n ASN 13 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2wdl h THR 14 N 0.00 0.00 0.00 5.53 2.02 -1.92 -3.44 112.91 115.09 2wdl h THR 14 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wdl h THR 14 Cb 0.18 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2wdl h THR 14 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2wdl n GLY 15 N -1.27 2.84 3.79 2.16 0.00 -1.25 -3.53 105.19 107.93 2wdl n GLY 15 Ca -0.01 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 2wdl n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdl s ALA 16 N -1.89 2.61 -0.01 4.61 0.00 -1.26 -0.38 121.76 125.45 2wdl s ALA 16 Ca 0.00 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.43 2wdl s ALA 16 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2wdl s ALA 16 CO 0.00 -1.04 0.02 -2.13 0.00 0.00 0.00 175.76 172.61 2wdl n ARG 17 N -2.26 1.90 -3.65 0.00 3.00 -0.02 -4.76 116.66 110.87 2wdl n ARG 17 Ca 0.09 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.85 57.82 2wdl n ARG 17 Cb 0.52 -1.04 -0.07 0.00 0.00 0.00 0.00 32.46 31.87 2wdl n ARG 17 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wdl s LYS 18 N -2.08 0.74 0.19 -0.14 1.02 -0.76 -3.23 119.74 115.48 2wdl s LYS 18 Ca -0.01 1.03 0.05 0.00 0.02 0.00 0.00 55.97 57.06 2wdl s LYS 18 Cb 0.01 0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.55 2wdl s LYS 18 CO 0.07 -0.12 -0.08 0.96 -0.92 0.00 0.00 175.35 175.26 2wdl s ILE 19 N 0.84 1.27 -0.11 2.17 -4.36 -0.72 -0.28 121.20 120.02 2wdl s ILE 19 Ca -0.04 -2.09 0.03 0.00 -0.26 0.00 0.00 60.65 58.29 2wdl s ILE 19 Cb -0.05 -2.07 0.01 0.00 1.25 0.00 0.00 42.46 41.60 2wdl s ILE 19 CO -0.07 -0.57 -0.20 -0.32 0.24 0.00 0.00 174.94 174.02 2wdl s MET 20 N -3.76 2.73 0.29 0.37 -2.45 -1.13 0.73 119.30 116.08 2wdl s MET 20 Ca 0.22 -0.75 -0.30 0.00 -1.25 0.00 0.00 55.69 53.60 2wdl s MET 20 Cb 0.03 -2.17 -0.12 0.00 1.25 0.00 0.00 34.83 33.81 2wdl s MET 20 CO 0.05 0.04 1.50 0.00 1.05 0.00 0.00 175.02 177.66 2wdl n ILE 22 N 1.72 0.96 -3.61 0.00 2.08 0.56 -1.95 119.36 119.13 2wdl n ILE 22 Ca 0.08 -0.36 -0.16 0.00 0.56 0.00 0.00 62.75 62.88 2wdl n ILE 22 Cb 0.35 -1.14 -0.07 0.00 -0.75 0.00 0.00 39.64 38.03 2wdl n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2wdl s ARG 23 N -2.33 0.88 -0.26 0.38 6.06 -1.09 -4.77 118.95 117.81 2wdl s ARG 23 Ca -0.23 0.40 -0.10 0.00 -2.50 0.00 0.00 55.73 53.30 2wdl s ARG 23 Cb 0.06 0.41 -0.05 0.00 0.06 0.00 0.00 34.95 35.44 2wdl s ARG 23 CO 0.38 -0.22 0.16 0.54 -2.50 0.00 0.00 175.30 173.67 2wdl s VAL 24 N -0.67 5.24 -0.63 7.11 0.11 -1.26 -1.07 120.40 129.22 2wdl s VAL 24 Ca -0.08 0.14 -0.26 0.00 -2.93 0.00 0.00 61.98 58.86 2wdl s VAL 24 Cb -0.02 -3.47 0.04 0.00 -1.53 0.00 0.00 36.38 31.40 2wdl s VAL 24 CO 0.06 0.30 1.12 -0.76 -3.33 0.00 0.00 175.10 172.49 2wdl s LEU 25 N 1.40 3.68 0.00 2.54 1.43 -0.59 -4.74 118.68 122.41 2wdl s LEU 25 Ca 0.07 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2wdl s LEU 25 Cb -0.15 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.29 2wdl s LEU 25 CO 0.07 -1.52 0.00 0.29 0.23 0.00 0.00 176.35 175.43 2wdl n LYS 26 N 8.35 0.00 -0.27 1.70 5.02 -1.26 -4.51 118.16 127.19 2wdl n LYS 26 Ca 0.03 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.24 2wdl n LYS 26 Cb 0.48 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.57 2wdl n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdl n GLY 27 N 0.00 -1.84 0.29 0.72 0.00 -1.26 -4.77 105.19 98.33 2wdl n GLY 27 Ca 0.00 -0.60 0.16 0.00 0.00 0.00 0.00 46.02 45.58 2wdl n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wdl h SER 28 N -2.19 0.00 -0.50 1.61 4.64 -2.01 -3.28 113.55 111.83 2wdl h SER 28 Ca -0.10 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.96 2wdl h SER 28 Cb 0.34 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.08 2wdl h SER 28 CO 0.06 0.06 -1.00 -0.46 -0.87 0.00 0.00 176.83 174.62 2wdl n ASN 29 N -3.45 1.00 -4.66 4.97 0.23 -1.26 -5.10 115.26 106.99 2wdl n ASN 29 Ca -0.02 -2.23 -0.49 0.00 -0.53 0.00 0.00 54.58 51.30 2wdl n ASN 29 Cb 0.19 -0.28 -0.05 0.00 -2.08 0.00 0.00 39.78 37.56 2wdl n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wdl n ALA 30 N -0.58 0.50 0.16 -2.53 0.00 -1.24 -4.92 120.51 111.89 2wdl n ALA 30 Ca 0.04 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.78 2wdl n ALA 30 Cb 0.82 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.89 2wdl n ALA 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wdl h LYS 31 N 6.50 -0.44 0.00 0.00 1.79 -1.96 -3.46 116.57 119.00 2wdl h LYS 31 Ca -0.47 0.03 -0.36 0.00 -2.18 0.00 0.00 60.65 57.67 2wdl h LYS 31 Cb 1.29 0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 31.96 2wdl h LYS 31 CO 0.88 -0.12 -0.29 0.66 -1.08 0.00 0.00 179.45 179.51 2wdl n TYR 32 N -5.11 0.29 -3.87 -1.35 4.02 -1.26 -4.78 117.16 105.10 2wdl n TYR 32 Ca -0.09 -1.58 -0.15 0.00 -0.01 0.00 0.00 57.90 56.08 2wdl n TYR 32 Cb 0.27 -0.07 -0.15 0.00 -0.02 0.00 0.00 39.34 39.37 2wdl n TYR 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wdl s ALA 33 N -2.63 0.14 0.23 -0.72 0.00 0.64 -4.94 121.76 114.48 2wdl s ALA 33 Ca 0.08 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.20 2wdl s ALA 33 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 2wdl s ALA 33 CO 0.06 -0.05 0.04 -2.37 0.00 0.00 0.00 175.76 173.44 2wdl n THR 34 N 3.74 0.00 -1.58 0.00 5.66 -1.26 -1.08 114.28 119.77 2wdl n THR 34 Ca -0.22 -1.21 -0.50 0.00 -3.05 0.00 0.00 64.05 59.07 2wdl n THR 34 Cb 0.54 0.35 -0.05 0.00 -1.55 0.00 0.00 70.33 69.62 2wdl n THR 34 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2wdl n VAL 35 N -0.55 0.68 -0.92 1.08 0.31 -1.26 -1.08 118.33 116.59 2wdl n VAL 35 Ca -0.07 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2wdl n VAL 35 Cb 0.32 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 2wdl n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wdl n GLY 36 N 2.11 0.52 3.73 2.92 0.00 -0.68 -4.87 105.19 108.92 2wdl n GLY 36 Ca 0.16 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2wdl n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wdl s ASP 37 N -2.20 5.37 -0.02 1.61 1.01 -0.25 -4.90 116.67 117.29 2wdl s ASP 37 Ca 0.00 0.01 -0.12 0.00 0.71 0.00 0.00 52.55 53.15 2wdl s ASP 37 Cb 0.00 -1.44 -0.05 0.00 1.01 0.00 0.00 42.92 42.44 2wdl s ASP 37 CO 0.00 0.24 0.35 -0.69 0.21 0.00 0.00 175.17 175.27 2wdl s VAL 38 N -1.23 5.14 0.33 -1.27 1.01 -1.26 -2.38 120.40 120.73 2wdl s VAL 38 Ca 0.24 0.66 0.04 0.00 0.00 0.00 0.00 61.98 62.92 2wdl s VAL 38 Cb -0.12 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2wdl s VAL 38 CO 0.15 0.56 0.18 0.27 0.00 0.00 0.00 175.10 176.26 2wdl s ILE 39 N -1.10 0.31 -0.11 2.22 -4.36 0.05 -1.54 121.20 116.66 2wdl s ILE 39 Ca 0.23 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.65 2wdl s ILE 39 Cb -0.15 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.08 2wdl s ILE 39 CO 0.12 0.00 -0.21 -0.69 0.24 0.00 0.00 174.94 174.40 2wdl s VAL 40 N -3.52 1.92 0.00 8.37 1.01 -0.23 -1.91 120.40 126.05 2wdl s VAL 40 Ca 0.35 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2wdl s VAL 40 Cb 0.04 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2wdl s VAL 40 CO 0.19 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.82 2wdl n ALA 41 N 3.80 0.00 -3.41 5.51 0.00 0.06 0.21 120.51 126.68 2wdl n ALA 41 Ca -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.19 2wdl n ALA 41 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 2wdl n ALA 41 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wdl s SER 42 N 0.18 -0.36 -0.15 0.00 1.04 -0.96 -2.09 113.70 111.35 2wdl s SER 42 Ca 0.00 0.67 -0.38 0.00 0.48 0.00 0.00 55.95 56.72 2wdl s SER 42 Cb 0.00 1.51 -0.15 0.00 0.10 0.00 0.00 66.02 67.48 2wdl s SER 42 CO 0.00 -0.27 1.67 0.52 0.98 0.00 0.00 173.24 176.15 2wdl n VAL 43 N 5.39 0.27 -0.06 5.02 0.31 -1.11 -2.84 118.33 125.31 2wdl n VAL 43 Ca -0.05 -0.05 -0.08 0.00 -0.01 0.00 0.00 64.34 64.16 2wdl n VAL 43 Cb 0.50 -1.26 -0.15 0.00 -0.91 0.00 0.00 33.84 32.02 2wdl n VAL 43 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wdl n LYS 44 N 4.89 0.66 -3.69 5.55 4.76 0.62 0.85 118.16 131.79 2wdl n LYS 44 Ca 0.24 0.10 -0.11 0.00 -2.87 0.00 0.00 58.31 55.67 2wdl n LYS 44 Cb 0.18 -1.63 -0.10 0.00 -1.84 0.00 0.00 35.03 31.63 2wdl n LYS 44 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2wdl s GLU 45 N -2.62 0.45 0.30 1.97 -1.05 -1.14 -4.81 118.70 111.80 2wdl s GLU 45 Ca -0.08 0.81 0.03 0.00 -0.15 0.00 0.00 54.97 55.58 2wdl s GLU 45 Cb 0.07 0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.76 2wdl s GLU 45 CO 0.83 -0.14 0.17 0.00 0.95 0.00 0.00 175.26 177.06 2wdl s ALA 46 N 1.23 1.89 0.44 -0.84 0.00 -1.26 -0.84 121.76 122.38 2wdl s ALA 46 Ca -0.08 -1.77 -0.14 0.00 0.00 0.00 0.00 51.96 49.96 2wdl s ALA 46 Cb -0.07 1.19 -0.08 0.00 0.00 0.00 0.00 23.12 24.16 2wdl s ALA 46 CO -0.11 -0.52 0.87 0.42 0.00 0.00 0.00 175.76 176.41 2wdl s ILE 47 N -3.63 4.64 0.00 0.00 1.09 0.49 -4.84 121.20 118.95 2wdl s ILE 47 Ca 0.36 0.97 0.00 0.00 -1.10 0.00 0.00 60.65 60.88 2wdl s ILE 47 Cb 0.05 -3.70 0.00 0.00 -1.06 0.00 0.00 42.46 37.75 2wdl s ILE 47 CO 0.18 -0.53 0.00 -2.65 -0.10 0.00 0.00 174.94 171.84 2wdl n PRO 48 N -1.24 0.00 -0.73 2.79 -0.02 -1.26 -2.24 135.00 132.31 2wdl n PRO 48 Ca 0.05 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.36 2wdl n PRO 48 Cb 0.54 -0.37 -0.06 0.00 -0.02 0.00 0.00 33.50 33.59 2wdl n PRO 48 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wdl n ARG 49 N 0.00 1.82 -1.91 -0.52 5.12 -1.26 -4.89 116.66 115.03 2wdl n ARG 49 Ca 0.00 -1.13 -0.35 0.00 -1.93 0.00 0.00 57.85 54.44 2wdl n ARG 49 Cb 0.00 -2.19 0.04 0.00 -1.16 0.00 0.00 32.46 29.15 2wdl n ARG 49 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2wdl s GLY 50 N 2.86 2.56 0.00 -0.13 0.00 -0.95 -4.86 107.32 106.81 2wdl s GLY 50 Ca 0.43 0.89 0.13 0.00 0.00 0.00 0.00 44.72 46.16 2wdl s GLY 50 CO -0.02 1.27 1.36 0.00 0.00 0.00 0.00 173.10 175.71 2wdl n ALA 51 N -1.88 2.50 -3.60 3.20 0.00 -1.23 -4.68 120.51 114.82 2wdl n ALA 51 Ca 0.13 -0.44 -0.02 0.00 0.00 0.00 0.00 53.44 53.11 2wdl n ALA 51 Cb 0.50 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 2wdl n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdl s VAL 52 N -1.74 -0.12 0.44 0.00 0.11 -1.25 -5.00 120.40 112.85 2wdl s VAL 52 Ca 0.23 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.31 2wdl s VAL 52 Cb 0.12 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 2wdl s VAL 52 CO 0.17 0.00 0.63 -0.54 -3.33 0.00 0.00 175.10 172.04 2wdl s LYS 53 N 1.61 2.93 0.47 1.54 3.01 -1.26 -4.41 119.74 123.62 2wdl s LYS 53 Ca -0.08 -0.78 -0.23 0.00 -1.01 0.00 0.00 55.97 53.87 2wdl s LYS 53 Cb -0.04 -2.63 -0.09 0.00 -1.01 0.00 0.00 37.83 34.06 2wdl s LYS 53 CO -0.16 -0.29 1.11 0.39 0.51 0.00 0.00 175.35 176.91 2wdl n GLU 54 N -2.00 1.45 -2.98 1.68 1.02 -1.26 -3.12 120.64 115.43 2wdl n GLU 54 Ca 0.03 0.53 -0.12 0.00 -0.02 0.00 0.00 57.16 57.57 2wdl n GLU 54 Cb 0.58 -2.22 0.04 0.00 -0.02 0.00 0.00 31.44 29.83 2wdl n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdl n GLY 55 N 1.06 0.13 3.44 0.62 0.00 0.25 -4.94 105.19 105.75 2wdl n GLY 55 Ca 0.10 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2wdl n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wdl s ASP 56 N -3.09 4.78 -0.40 1.61 -0.00 -1.18 -4.88 116.67 113.51 2wdl s ASP 56 Ca 0.27 -0.21 -0.29 0.00 -0.00 0.00 0.00 52.55 52.32 2wdl s ASP 56 Cb -0.12 -1.81 0.01 0.00 -0.00 0.00 0.00 42.92 41.00 2wdl s ASP 56 CO 0.34 0.06 1.33 -0.69 -0.00 0.00 0.00 175.17 176.21 2wdl s VAL 57 N 1.00 4.03 0.38 -1.27 1.01 -1.26 -2.76 120.40 121.52 2wdl s VAL 57 Ca 0.01 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.10 2wdl s VAL 57 Cb -0.14 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 2wdl s VAL 57 CO 0.02 -0.73 0.09 1.33 0.00 0.00 0.00 175.10 175.80 2wdl n VAL 58 N 6.80 0.00 -4.28 2.92 0.24 -0.89 -4.95 118.33 118.17 2wdl n VAL 58 Ca 0.15 -2.07 -0.24 0.00 -2.04 0.00 0.00 64.34 60.14 2wdl n VAL 58 Cb 0.48 0.65 -0.08 0.00 -1.47 0.00 0.00 33.84 33.42 2wdl n VAL 58 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2wdl s LYS 59 N -3.42 2.18 -0.12 7.34 -0.14 -1.25 -0.76 119.74 123.55 2wdl s LYS 59 Ca 0.13 -1.61 -0.31 0.00 -1.36 0.00 0.00 55.97 52.82 2wdl s LYS 59 Cb 0.01 -2.04 0.13 0.00 -1.68 0.00 0.00 37.83 34.24 2wdl s LYS 59 CO 0.09 0.21 1.05 0.00 -0.76 0.00 0.00 175.35 175.94 2wdl s ALA 60 N -2.44 -1.95 0.01 5.17 0.00 -0.80 -1.22 121.76 120.53 2wdl s ALA 60 Ca 0.34 1.41 0.05 0.00 0.00 0.00 0.00 51.96 53.75 2wdl s ALA 60 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2wdl s ALA 60 CO 0.20 -0.53 -0.13 0.54 0.00 0.00 0.00 175.76 175.84 2wdl s VAL 61 N -2.25 3.20 -0.45 0.00 0.11 0.78 -0.77 120.40 121.02 2wdl s VAL 61 Ca 0.05 -0.92 -0.28 0.00 -2.93 0.00 0.00 61.98 57.90 2wdl s VAL 61 Cb -0.01 -2.35 0.03 0.00 -1.53 0.00 0.00 36.38 32.52 2wdl s VAL 61 CO -0.05 0.41 1.08 -0.69 -3.33 0.00 0.00 175.10 172.53 2wdl s VAL 62 N -0.91 4.30 -0.03 2.04 1.01 -1.00 -0.29 120.40 125.51 2wdl s VAL 62 Ca 0.15 1.20 0.12 0.00 0.00 0.00 0.00 61.98 63.46 2wdl s VAL 62 Cb -0.11 -4.54 -0.18 0.00 0.00 0.00 0.00 36.38 31.55 2wdl s VAL 62 CO 0.05 -0.90 0.91 -0.37 0.00 0.00 0.00 175.10 174.80 2wdl h VAL 63 N 6.13 0.99 -4.04 2.92 -1.51 -1.53 -1.81 116.25 117.41 2wdl h VAL 63 Ca -0.23 -2.70 -0.10 0.00 -1.23 0.00 0.00 66.70 62.43 2wdl h VAL 63 Cb 1.06 2.45 -0.15 0.00 -2.13 0.00 0.00 31.29 32.53 2wdl h VAL 63 CO 1.09 0.57 -0.53 -0.13 -1.23 0.00 0.00 177.57 177.33 2wdl s ARG 64 N -2.72 0.72 0.05 5.19 0.52 -1.15 -1.95 118.95 119.62 2wdl s ARG 64 Ca -0.02 -1.10 -0.02 0.00 -0.52 0.00 0.00 55.73 54.06 2wdl s ARG 64 Cb 0.09 0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.80 2wdl s ARG 64 CO 0.81 -0.19 0.01 0.95 0.02 0.00 0.00 175.30 176.91 2wdl s THR 65 N -3.89 0.19 -0.82 0.02 -4.23 -1.20 -1.58 115.64 104.12 2wdl s THR 65 Ca 0.06 -1.54 0.24 0.00 -1.18 0.00 0.00 61.69 59.27 2wdl s THR 65 Cb 0.07 -1.27 -0.07 0.00 1.34 0.00 0.00 72.50 72.57 2wdl s THR 65 CO -0.10 -0.85 1.18 1.17 -0.54 0.00 0.00 174.62 175.48 2wdl n LYS 66 N 0.35 0.13 -3.22 3.99 3.00 -1.17 -2.41 118.16 118.83 2wdl n LYS 66 Ca -0.16 0.01 -0.44 0.00 -0.00 0.00 0.00 58.31 57.72 2wdl n LYS 66 Cb 0.60 -1.55 -0.06 0.00 0.00 0.00 0.00 35.03 34.02 2wdl n LYS 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2wdl s LYS 67 N -3.09 3.08 0.10 1.64 2.47 -1.26 -4.65 119.74 118.03 2wdl s LYS 67 Ca 0.07 -1.06 -0.32 0.00 -1.56 0.00 0.00 55.97 53.11 2wdl s LYS 67 Cb 0.16 -4.12 -0.17 0.00 -1.46 0.00 0.00 37.83 32.23 2wdl s LYS 67 CO 0.77 -1.19 0.73 -0.85 0.16 0.00 0.00 175.35 174.97 2wdl n GLU 68 N 5.90 0.00 -3.84 4.03 0.00 -1.26 -4.63 120.64 120.85 2wdl n GLU 68 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.72 2wdl n GLU 68 Cb 0.45 -1.17 -0.05 0.00 0.00 0.00 0.00 31.44 30.67 2wdl n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2wdl s ILE 69 N -0.52 5.41 -0.20 3.84 1.01 -0.51 -4.94 121.20 125.29 2wdl s ILE 69 Ca 0.72 0.14 -0.13 0.00 0.00 0.00 0.00 60.65 61.38 2wdl s ILE 69 Cb -1.03 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 2wdl s ILE 69 CO 0.54 0.48 0.26 -0.54 0.00 0.00 0.00 174.94 175.67 2wdl s LYS 70 N -1.45 4.18 0.03 2.79 1.02 -1.26 -2.30 119.74 122.75 2wdl s LYS 70 Ca 0.22 -0.02 -0.24 0.00 0.02 0.00 0.00 55.97 55.95 2wdl s LYS 70 Cb -0.13 -3.48 -0.05 0.00 -0.52 0.00 0.00 37.83 33.65 2wdl s LYS 70 CO 0.11 0.14 0.72 1.03 -0.92 0.00 0.00 175.35 176.43 2wdl s ARG 71 N 0.79 4.44 0.00 1.68 1.81 0.82 -4.89 118.95 123.60 2wdl s ARG 71 Ca 0.13 0.97 0.00 0.00 -1.72 0.00 0.00 55.73 55.11 2wdl s ARG 71 Cb -0.13 -3.35 0.00 0.00 -0.45 0.00 0.00 34.95 31.01 2wdl s ARG 71 CO 0.04 0.31 0.00 -0.35 -0.68 0.00 0.00 175.30 174.62 2wdl n PRO 72 N 2.76 0.00 -1.67 3.54 -0.04 -1.26 -1.16 135.00 137.17 2wdl n PRO 72 Ca -0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.44 2wdl n PRO 72 Cb 0.50 -1.15 0.05 0.00 -0.04 0.00 0.00 33.50 32.87 2wdl n PRO 72 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2wdl n ASP 73 N 0.65 1.42 0.00 3.54 5.68 -1.26 -4.99 116.55 121.59 2wdl n ASP 73 Ca 0.00 -2.37 0.00 0.00 -0.50 0.00 0.00 54.79 51.92 2wdl n ASP 73 Cb 0.00 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 2wdl n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wdl n GLY 74 N -0.02 1.69 3.81 6.12 0.00 -0.31 -4.95 105.19 111.53 2wdl n GLY 74 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2wdl n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wdl s SER 75 N 0.00 4.21 -0.05 1.61 1.04 -1.25 -4.80 113.70 114.46 2wdl s SER 75 Ca 0.00 1.11 -0.28 0.00 0.48 0.00 0.00 55.95 57.26 2wdl s SER 75 Cb 0.00 -1.77 0.06 0.00 0.10 0.00 0.00 66.02 64.41 2wdl s SER 75 CO 0.00 -2.12 0.61 0.00 0.98 0.00 0.00 173.24 172.71 2wdl s ALA 76 N -3.26 -1.59 -0.04 5.32 0.00 -1.26 -0.13 121.76 120.80 2wdl s ALA 76 Ca 0.62 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.79 2wdl s ALA 76 Cb -0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2wdl s ALA 76 CO 0.53 -0.35 -0.19 -1.50 0.00 0.00 0.00 175.76 174.26 2wdl s ILE 77 N -1.15 1.53 -0.03 0.00 1.10 -0.97 -4.96 121.20 116.72 2wdl s ILE 77 Ca -0.11 -0.78 0.03 0.00 -0.51 0.00 0.00 60.65 59.28 2wdl s ILE 77 Cb -0.01 -1.30 -0.00 0.00 0.15 0.00 0.00 42.46 41.30 2wdl s ILE 77 CO 0.09 0.44 -0.11 -0.60 -2.11 0.00 0.00 174.94 172.64 2wdl s ARG 78 N -0.08 1.16 0.53 3.50 3.52 -1.26 -1.43 118.95 124.89 2wdl s ARG 78 Ca -0.02 -0.40 0.08 0.00 -0.13 0.00 0.00 55.73 55.26 2wdl s ARG 78 Cb -0.11 -1.06 0.05 0.00 -1.56 0.00 0.00 34.95 32.27 2wdl s ARG 78 CO 0.02 0.17 0.57 -0.06 -0.81 0.00 0.00 175.30 175.19 2wdl s PHE 79 N 0.07 1.77 -2.06 5.12 0.40 -1.01 -5.01 117.98 117.26 2wdl s PHE 79 Ca -0.02 -0.72 0.30 0.00 -0.60 0.00 0.00 56.93 55.89 2wdl s PHE 79 Cb -0.09 -2.10 1.48 0.00 0.51 0.00 0.00 43.02 42.82 2wdl s PHE 79 CO 0.01 -0.69 1.99 -0.25 0.70 0.00 0.00 175.22 176.97 2wdl n ASP 80 N -1.93 0.57 -3.08 1.36 9.92 -1.26 -4.50 116.55 117.63 2wdl n ASP 80 Ca 0.07 -1.03 -0.06 0.00 -0.53 0.00 0.00 54.79 53.24 2wdl n ASP 80 Cb 0.62 -0.02 0.02 0.00 -0.64 0.00 0.00 41.12 41.11 2wdl n ASP 80 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2wdl n ASP 81 N -0.64 -1.99 -4.33 -2.24 3.85 -1.26 -4.98 116.55 104.95 2wdl n ASP 81 Ca 0.20 -2.21 -0.38 0.00 -0.71 0.00 0.00 54.79 51.69 2wdl n ASP 81 Cb 0.23 3.27 -0.12 0.00 -1.35 0.00 0.00 41.12 43.15 2wdl n ASP 81 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.20 176.39 2wdl s ASN 82 N -3.28 5.35 0.12 -1.12 -0.87 -1.26 -3.06 114.94 110.81 2wdl s ASN 82 Ca 0.20 -0.90 0.05 0.00 -1.57 0.00 0.00 52.86 50.64 2wdl s ASN 82 Cb -0.04 -1.92 -0.04 0.00 -0.02 0.00 0.00 41.25 39.24 2wdl s ASN 82 CO 0.08 -0.28 0.05 0.00 -2.57 0.00 0.00 177.10 174.38 2wdl s ALA 83 N 1.49 3.39 0.23 0.60 0.00 -0.61 -1.12 121.76 125.73 2wdl s ALA 83 Ca 0.01 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.82 2wdl s ALA 83 Cb -0.18 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 2wdl s ALA 83 CO 0.04 0.62 0.05 0.00 0.00 0.00 0.00 175.76 176.47 2wdl s ALA 84 N -1.51 1.62 -0.04 0.00 0.00 0.11 -1.40 121.76 120.54 2wdl s ALA 84 Ca 0.28 -1.77 -0.02 0.00 0.00 0.00 0.00 51.96 50.45 2wdl s ALA 84 Cb -0.11 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.85 2wdl s ALA 84 CO 0.20 -0.38 0.07 0.08 0.00 0.00 0.00 175.76 175.72 2wdl s VAL 85 N -3.67 -0.12 0.13 0.00 1.01 0.60 -1.13 120.40 117.22 2wdl s VAL 85 Ca 0.32 0.40 -0.31 0.00 0.00 0.00 0.00 61.98 62.39 2wdl s VAL 85 Cb 0.07 -0.16 -0.08 0.00 0.00 0.00 0.00 36.38 36.21 2wdl s VAL 85 CO 0.10 0.17 1.42 -0.63 0.00 0.00 0.00 175.10 176.15 2wdl s ILE 86 N 2.04 3.15 0.46 2.22 1.09 -1.26 -0.16 121.20 128.74 2wdl s ILE 86 Ca 0.03 0.84 0.05 0.00 -1.10 0.00 0.00 60.65 60.46 2wdl s ILE 86 Cb -0.12 -3.54 -0.04 0.00 -1.06 0.00 0.00 42.46 37.70 2wdl s ILE 86 CO -0.03 0.07 0.05 -0.63 -0.10 0.00 0.00 174.94 174.30 2wdl s ILE 87 N 1.00 1.67 0.25 2.92 -1.09 -0.35 -2.20 121.20 123.40 2wdl s ILE 87 Ca 0.65 -1.94 0.12 0.00 -2.23 0.00 0.00 60.65 57.25 2wdl s ILE 87 Cb -0.38 -2.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.85 2wdl s ILE 87 CO 0.31 0.00 -0.21 0.54 -1.23 0.00 0.00 174.94 174.35 2wdl s ASN 88 N -3.83 3.52 0.34 3.58 4.22 -0.66 -3.95 114.94 118.15 2wdl s ASN 88 Ca 0.23 -0.98 0.14 0.00 -2.14 0.00 0.00 52.86 50.11 2wdl s ASN 88 Cb 0.05 -0.28 1.11 0.00 1.28 0.00 0.00 41.25 43.41 2wdl s ASN 88 CO 0.12 0.06 1.60 0.78 -2.04 0.00 0.00 177.10 177.63 2wdl h ASN 89 N 2.57 0.17 0.00 3.54 4.21 -1.98 2.66 115.58 126.74 2wdl h ASN 89 Ca -0.42 0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.33 2wdl h ASN 89 Cb 1.24 0.29 0.00 0.00 -1.12 0.00 0.00 38.32 38.73 2wdl h ASN 89 CO 0.56 -0.33 0.00 0.00 -1.29 0.00 0.00 177.43 176.37 2wdl n GLN 90 N -5.26 0.63 -0.92 0.81 6.02 -1.26 -4.81 117.38 112.59 2wdl n GLN 90 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 2wdl n GLN 90 Cb 1.06 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 31.11 2wdl n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wdl n LEU 91 N -0.05 0.93 -4.89 1.08 7.99 0.89 -5.00 117.00 117.95 2wdl n LEU 91 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 55.68 2wdl n LEU 91 Cb 0.10 -2.18 -0.05 0.00 -0.11 0.00 0.00 43.42 41.18 2wdl n LEU 91 CO 0.00 -0.84 0.09 -1.61 -1.51 0.00 0.00 177.39 173.52 2wdl s GLU 92 N -1.69 3.69 0.16 3.23 2.02 -1.23 -4.70 118.70 120.18 2wdl s GLU 92 Ca 0.00 0.05 -0.32 0.00 0.02 0.00 0.00 54.97 54.72 2wdl s GLU 92 Cb 0.00 -2.79 -0.10 0.00 0.10 0.00 0.00 34.13 31.33 2wdl s GLU 92 CO 0.00 0.43 1.63 -1.25 0.02 0.00 0.00 175.26 176.09 2wdl s PRO 93 N -2.65 4.19 0.00 0.39 0.04 -1.26 -1.66 135.00 134.05 2wdl s PRO 93 Ca 0.42 2.43 0.30 0.00 0.04 0.00 0.00 61.00 64.20 2wdl s PRO 93 Cb -0.12 -3.20 1.62 0.00 0.04 0.00 0.00 34.50 32.84 2wdl s PRO 93 CO 0.23 -0.67 2.06 0.54 0.04 0.00 0.00 177.00 179.21 2wdl n ARG 94 N 4.22 1.21 -0.46 4.56 1.74 -0.93 -4.84 116.66 122.16 2wdl n ARG 94 Ca 0.15 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2wdl n ARG 94 Cb 0.38 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 2wdl n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdl n GLY 95 N 1.05 1.02 0.00 -0.13 0.00 -1.26 -4.83 105.19 101.04 2wdl n GLY 95 Ca 0.22 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2wdl n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wdl n THR 96 N -0.87 0.00 -3.80 2.61 -2.24 -1.26 -5.03 114.28 103.68 2wdl n THR 96 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2wdl n THR 96 Cb 0.00 1.25 -0.01 0.00 -2.10 0.00 0.00 70.33 69.46 2wdl n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wdl n ARG 97 N 0.00 0.34 -3.65 -0.78 5.12 -1.26 -5.04 116.66 111.39 2wdl n ARG 97 Ca 0.00 -1.34 0.01 0.00 -1.93 0.00 0.00 57.85 54.59 2wdl n ARG 97 Cb 0.35 1.30 -0.06 0.00 -1.16 0.00 0.00 32.46 32.89 2wdl n ARG 97 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wdl s VAL 98 N -2.61 0.00 0.20 1.55 0.11 -1.26 -4.45 120.40 113.94 2wdl s VAL 98 Ca 0.14 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.27 2wdl s VAL 98 Cb -0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2wdl s VAL 98 CO 0.10 0.00 -0.01 -0.36 -3.33 0.00 0.00 175.10 171.50 2wdl s PHE 99 N 0.94 2.78 0.21 1.54 0.08 -1.17 -4.40 117.98 117.96 2wdl s PHE 99 Ca -0.06 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 56.81 2wdl s PHE 99 Cb -0.03 -1.32 0.00 0.00 -0.57 0.00 0.00 43.02 41.11 2wdl s PHE 99 CO -0.11 0.54 0.00 0.41 -0.10 0.00 0.00 175.22 175.97 2wdl n GLY 100 N -0.33 -1.91 3.45 4.36 0.00 -1.26 -4.86 105.19 104.64 2wdl n GLY 100 Ca -0.09 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 2wdl n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wdl s PRO 101 N -2.08 -1.77 -0.28 1.61 0.02 -1.26 -4.39 135.00 126.86 2wdl s PRO 101 Ca 0.00 0.26 -0.23 0.00 0.02 0.00 0.00 61.00 61.05 2wdl s PRO 101 Cb 0.00 -1.50 0.09 0.00 0.02 0.00 0.00 34.50 33.10 2wdl s PRO 101 CO 0.00 -4.14 0.78 0.14 -0.33 0.00 0.00 177.00 173.45 2wdl s VAL 102 N -2.58 0.00 0.50 3.83 -7.23 -0.97 -4.84 120.40 109.11 2wdl s VAL 102 Ca 0.69 0.00 -0.23 0.00 -1.81 0.00 0.00 61.98 60.63 2wdl s VAL 102 Cb -0.15 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 35.72 2wdl s VAL 102 CO 0.59 0.00 1.28 0.00 -0.31 0.00 0.00 175.10 176.66 2wdl s ALA 103 N 0.65 2.92 -1.87 1.32 0.00 -0.82 -1.92 121.76 122.04 2wdl s ALA 103 Ca -0.02 1.17 0.23 0.00 0.00 0.00 0.00 51.96 53.35 2wdl s ALA 103 Cb -0.05 -3.49 1.34 0.00 0.00 0.00 0.00 23.12 20.92 2wdl s ALA 103 CO -0.05 -1.05 1.76 2.89 0.00 0.00 0.00 175.76 179.30 2wdl n ARG 104 N -0.72 0.64 0.30 0.00 1.85 0.23 -2.95 116.66 116.01 2wdl n ARG 104 Ca 0.09 0.02 0.20 0.00 -1.00 0.00 0.00 57.85 57.16 2wdl n ARG 104 Cb 0.46 -1.50 1.06 0.00 -1.05 0.00 0.00 32.46 31.43 2wdl n ARG 104 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2wdl h GLU 105 N 0.00 0.00 -0.50 2.89 3.07 -1.90 -0.84 114.58 117.30 2wdl h GLU 105 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 2wdl h GLU 105 Cb 0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2wdl h GLU 105 CO 0.00 0.00 0.00 -0.07 -1.40 0.00 0.00 179.01 177.54 2wdl h LEU 106 N 0.00 0.87 -0.66 1.33 3.38 -1.87 -1.77 115.31 116.59 2wdl h LEU 106 Ca 0.00 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 57.77 2wdl h LEU 106 Cb 0.07 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.51 2wdl h LEU 106 CO 0.00 0.96 0.25 -0.09 0.09 0.00 0.00 178.44 179.66 2wdl h ARG 107 N 0.75 0.42 0.00 1.13 2.43 -1.41 0.91 114.38 118.61 2wdl h ARG 107 Ca 0.14 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2wdl h ARG 107 Cb 0.52 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2wdl h ARG 107 CO 0.03 0.28 -0.46 1.05 -1.51 0.00 0.00 179.97 179.35 2wdl h GLU 108 N 0.43 0.00 0.00 0.20 9.09 -1.62 -2.85 114.58 119.83 2wdl h GLU 108 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 2wdl h GLU 108 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 2wdl h GLU 108 CO -0.33 0.46 0.00 1.63 0.05 0.00 0.00 179.01 180.81 2wdl n LYS 109 N -3.32 0.18 -0.71 1.06 4.76 -0.51 -4.95 118.16 114.67 2wdl n LYS 109 Ca 0.01 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 2wdl n LYS 109 Cb 0.65 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 2wdl n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdl n GLY 110 N 1.18 0.26 2.75 0.72 0.00 0.20 -5.06 105.19 105.24 2wdl n GLY 110 Ca 0.05 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 2wdl n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdl n PHE 111 N -0.44 -0.09 -0.33 1.61 3.72 -0.99 -4.97 117.46 115.96 2wdl n PHE 111 Ca 0.00 -2.07 0.14 0.00 -0.05 0.00 0.00 57.45 55.47 2wdl n PHE 111 Cb 0.21 0.46 0.28 0.00 -0.94 0.00 0.00 39.48 39.49 2wdl n PHE 111 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2wdl n MET 112 N -0.83 -0.08 0.00 -1.08 2.81 -1.26 -1.07 117.12 115.61 2wdl n MET 112 Ca -0.01 1.43 0.00 0.00 -1.81 0.00 0.00 57.70 57.31 2wdl n MET 112 Cb 0.83 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 2wdl n MET 112 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2wdl n LYS 113 N -5.42 0.00 -0.33 0.03 4.76 -1.26 -0.86 118.16 115.07 2wdl n LYS 113 Ca 0.23 0.58 0.23 0.00 -2.87 0.00 0.00 58.31 56.47 2wdl n LYS 113 Cb 0.74 -1.34 0.43 0.00 -1.84 0.00 0.00 35.03 33.02 2wdl n LYS 113 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2wdl h ILE 114 N 0.00 0.03 0.14 -0.18 1.08 -1.52 0.07 117.51 117.13 2wdl h ILE 114 Ca 0.00 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 2wdl h ILE 114 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 2wdl h ILE 114 CO 0.00 0.00 -0.07 0.58 -0.69 0.00 0.00 178.15 177.98 2wdl h VAL 115 N 0.02 0.00 -0.25 1.67 2.07 -0.76 -2.57 116.25 116.44 2wdl h VAL 115 Ca 0.71 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 68.27 2wdl h VAL 115 Cb 1.69 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2wdl h VAL 115 CO -0.84 0.00 0.24 0.77 0.02 0.00 0.00 177.57 177.76 2wdl h SER 116 N -0.23 0.00 1.41 0.57 4.64 -0.60 0.44 113.55 119.78 2wdl h SER 116 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2wdl h SER 116 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2wdl h SER 116 CO 0.03 0.00 0.00 0.25 -0.87 0.00 0.00 176.83 176.24 2wdl h LEU 117 N 0.00 0.00-10.32 5.97 6.46 -1.01 -3.45 115.31 112.96 2wdl h LEU 117 Ca 0.12 0.00 -0.50 0.00 -0.12 0.00 0.00 57.88 57.37 2wdl h LEU 117 Cb 0.60 0.00 0.06 0.00 -0.73 0.00 0.00 40.66 40.59 2wdl h LEU 117 CO -0.00 0.00 0.40 0.00 -0.62 0.00 0.00 178.44 178.21 2wdl s ALA 118 N -3.30 2.95 -2.60 1.25 0.00 0.15 -4.37 121.76 115.84 2wdl s ALA 118 Ca 0.06 0.03 0.24 0.00 0.00 0.00 0.00 51.96 52.29 2wdl s ALA 118 Cb 0.09 -3.12 0.39 0.00 0.00 0.00 0.00 23.12 20.47 2wdl s ALA 118 CO 0.57 -0.79 1.38 -0.35 0.00 0.00 0.00 175.76 176.57 2wdl n PRO 119 N -2.65 2.45 -3.61 0.00 -0.04 -1.26 -4.91 135.00 124.98 2wdl n PRO 119 Ca 0.07 -2.17 -0.01 0.00 -0.04 0.00 0.00 63.50 61.34 2wdl n PRO 119 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2wdl n PRO 119 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2wdl s GLU 120 N -1.62 0.30 -0.29 0.54 2.56 -1.26 -4.97 118.70 113.96 2wdl s GLU 120 Ca 0.36 0.55 0.00 0.00 0.00 0.00 0.00 54.97 55.89 2wdl s GLU 120 Cb 0.22 0.10 0.09 0.00 2.00 0.00 0.00 34.13 36.54 2wdl s GLU 120 CO 0.31 -0.07 0.04 0.08 -0.56 0.00 0.00 175.26 175.07 2wdl s VAL 121 N 1.43 1.32 -2.87 3.70 1.01 -1.26 -2.28 120.40 121.44 2wdl s VAL 121 Ca -0.08 -1.49 0.23 0.00 0.00 0.00 0.00 61.98 60.64 2wdl s VAL 121 Cb -0.04 -1.87 0.18 0.00 0.00 0.00 0.00 36.38 34.66 2wdl s VAL 121 CO -0.14 -0.48 1.23 0.18 0.00 0.00 0.00 175.10 175.89