#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbh s SER 2 N 0.00 -0.41 0.00 0.00 0.15 -1.26 -5.05 113.70 107.13 2wbh s SER 2 Ca 0.00 0.61 0.19 0.00 0.70 0.00 0.00 55.95 57.45 2wbh s SER 2 Cb 0.00 1.30 0.59 0.00 -1.71 0.00 0.00 66.02 66.21 2wbh s SER 2 CO 0.00 -0.09 1.46 -0.46 1.20 0.00 0.00 173.24 175.35 2wbh n ASN 3 N 4.08 2.14 -4.23 5.45 0.23 -1.26 -4.57 115.26 117.10 2wbh n ASN 3 Ca -0.14 -1.84 -0.43 0.00 -0.53 0.00 0.00 54.58 51.64 2wbh n ASN 3 Cb 0.56 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 2wbh n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2wbh n PHE 4 N 0.64 4.18 -4.53 -2.53 -0.00 -1.26 -4.91 117.46 109.04 2wbh n PHE 4 Ca 0.16 -3.00 -0.27 0.00 -0.00 0.00 0.00 57.45 54.33 2wbh n PHE 4 Cb 0.39 -2.36 -0.10 0.00 -0.00 0.00 0.00 39.48 37.40 2wbh n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2wbh s THR 5 N 2.51 2.06 0.52 -2.13 -4.23 -1.26 -4.84 115.64 108.27 2wbh s THR 5 Ca 0.47 -1.96 -0.19 0.00 -1.18 0.00 0.00 61.69 58.83 2wbh s THR 5 Cb 0.05 -2.99 -0.07 0.00 1.34 0.00 0.00 72.50 70.84 2wbh s THR 5 CO 0.01 -0.01 1.04 -1.58 -0.54 0.00 0.00 174.62 173.54 2wbh s GLN 6 N -3.74 3.68 0.20 3.99 0.74 -1.26 -4.57 119.66 118.69 2wbh s GLN 6 Ca 0.36 1.28 -0.13 0.00 0.05 0.00 0.00 55.36 56.91 2wbh s GLN 6 Cb 0.09 -2.08 0.01 0.00 1.10 0.00 0.00 33.01 32.12 2wbh s GLN 6 CO 0.19 -0.53 0.44 -0.59 -0.55 0.00 0.00 175.29 174.25 2wbh s PHE 7 N -2.18 0.19 -0.25 1.67 -0.71 -0.38 -5.00 117.98 111.33 2wbh s PHE 7 Ca 0.65 -0.55 -0.11 0.00 -1.04 0.00 0.00 56.93 55.89 2wbh s PHE 7 Cb -0.16 0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 41.80 2wbh s PHE 7 CO 0.26 -0.88 0.18 0.54 -1.34 0.00 0.00 175.22 173.97 2wbh s VAL 8 N -3.95 5.34 -0.01 -2.49 0.11 -1.26 -1.18 120.40 116.96 2wbh s VAL 8 Ca 0.16 0.20 -0.16 0.00 -2.93 0.00 0.00 61.98 59.24 2wbh s VAL 8 Cb 0.00 -3.52 -0.33 0.00 -1.53 0.00 0.00 36.38 31.00 2wbh s VAL 8 CO 0.02 0.31 0.88 0.25 -3.33 0.00 0.00 175.10 173.23 2wbh h LEU 9 N 7.77 0.69 -7.75 2.54 5.85 -0.68 -3.44 115.31 120.29 2wbh h LEU 9 Ca -0.37 -0.93 -0.61 0.00 0.84 0.00 0.00 57.88 56.81 2wbh h LEU 9 Cb 1.18 -0.22 -0.37 0.00 0.37 0.00 0.00 40.66 41.61 2wbh h LEU 9 CO 0.63 1.65 -0.80 -0.69 -0.34 0.00 0.00 178.44 178.89 2wbh s VAL 10 N -2.55 1.59 -0.57 1.05 1.01 -0.58 -4.97 120.40 115.39 2wbh s VAL 10 Ca -0.12 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 60.64 2wbh s VAL 10 Cb 0.04 -1.71 0.09 0.00 0.00 0.00 0.00 36.38 34.79 2wbh s VAL 10 CO 0.89 0.11 0.70 -0.62 0.00 0.00 0.00 175.10 176.19 2wbh s ASP 11 N 1.41 6.20 -0.66 3.32 2.15 -1.26 -0.80 116.67 127.03 2wbh s ASP 11 Ca -0.02 -1.22 -0.02 0.00 0.43 0.00 0.00 52.55 51.72 2wbh s ASP 11 Cb -0.17 -2.31 0.30 0.00 -0.30 0.00 0.00 42.92 40.45 2wbh s ASP 11 CO -0.08 -1.07 2.18 0.59 -0.17 0.00 0.00 175.17 176.63 2wbh n ASN 12 N 6.40 7.25 -3.55 -0.34 3.02 -1.26 -4.87 115.26 121.91 2wbh n ASN 12 Ca -0.08 -3.61 -0.24 0.00 -0.03 0.00 0.00 54.58 50.62 2wbh n ASN 12 Cb 0.44 -1.08 0.05 0.00 -0.61 0.00 0.00 39.78 38.58 2wbh n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wbh n GLY 13 N -0.26 -0.85 4.05 7.41 0.00 -1.26 -2.77 105.19 111.51 2wbh n GLY 13 Ca 0.53 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.95 2wbh n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbh n GLY 14 N -1.51 1.06 3.25 -0.02 0.00 -1.26 -4.94 105.19 101.78 2wbh n GLY 14 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2wbh n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wbh s THR 15 N 0.00 4.51 0.00 2.61 -4.23 -1.11 -4.32 115.64 113.10 2wbh s THR 15 Ca 0.00 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 2wbh s THR 15 Cb 0.00 -3.92 0.00 0.00 1.34 0.00 0.00 72.50 69.92 2wbh s THR 15 CO 0.00 -0.76 0.00 0.61 -0.54 0.00 0.00 174.62 173.93 2wbh n GLY 16 N 5.01 1.05 3.74 3.99 0.00 -1.26 -4.74 105.19 112.98 2wbh n GLY 16 Ca -0.10 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 2wbh n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wbh s ASP 17 N -2.50 6.57 -0.24 1.61 1.11 -1.26 -4.41 116.67 117.55 2wbh s ASP 17 Ca 0.00 2.72 -0.13 0.00 0.18 0.00 0.00 52.55 55.32 2wbh s ASP 17 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 2wbh s ASP 17 CO 0.00 -0.79 0.30 -0.69 1.18 0.00 0.00 175.17 175.17 2wbh s VAL 18 N 0.30 5.26 0.03 -1.27 1.01 0.02 -4.94 120.40 120.81 2wbh s VAL 18 Ca 0.63 0.46 0.06 0.00 0.00 0.00 0.00 61.98 63.13 2wbh s VAL 18 Cb -0.44 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 2wbh s VAL 18 CO 0.41 0.26 -0.19 0.28 0.00 0.00 0.00 175.10 175.86 2wbh s THR 19 N 1.44 1.50 0.01 3.92 -1.32 -1.26 0.11 115.64 120.04 2wbh s THR 19 Ca 0.13 -1.08 0.05 0.00 -1.21 0.00 0.00 61.69 59.58 2wbh s THR 19 Cb -0.15 -1.31 -0.02 0.00 -1.51 0.00 0.00 72.50 69.52 2wbh s THR 19 CO 0.08 0.19 -0.16 0.54 -2.21 0.00 0.00 174.62 173.05 2wbh s VAL 20 N -0.75 1.31 0.07 5.08 0.11 -0.32 -4.20 120.40 121.69 2wbh s VAL 20 Ca 0.06 -0.88 0.03 0.00 -2.93 0.00 0.00 61.98 58.26 2wbh s VAL 20 Cb -0.08 -1.12 -0.03 0.00 -1.53 0.00 0.00 36.38 33.61 2wbh s VAL 20 CO 0.01 0.23 -0.09 0.00 -3.33 0.00 0.00 175.10 171.92 2wbh s ALA 21 N -0.59 0.88 0.12 1.54 0.00 -0.52 -1.25 121.76 121.94 2wbh s ALA 21 Ca 0.05 -0.99 -0.35 0.00 0.00 0.00 0.00 51.96 50.66 2wbh s ALA 21 Cb -0.07 0.03 -0.16 0.00 0.00 0.00 0.00 23.12 22.92 2wbh s ALA 21 CO 0.00 -0.01 1.39 -2.30 0.00 0.00 0.00 175.76 174.84 2wbh n PRO 22 N 1.00 1.45 0.00 0.00 -0.02 -1.26 -1.59 135.00 134.58 2wbh n PRO 22 Ca -0.19 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2wbh n PRO 22 Cb 0.56 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2wbh n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2wbh n SER 23 N 2.70 0.55 -3.55 2.55 3.41 0.36 -4.80 113.62 114.84 2wbh n SER 23 Ca 0.17 -0.09 -0.10 0.00 -0.26 0.00 0.00 58.87 58.59 2wbh n SER 23 Cb 0.23 0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 2wbh n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2wbh s ASN 24 N -0.40 -0.37 0.00 4.04 3.84 -1.17 -4.97 114.94 115.91 2wbh s ASN 24 Ca 0.00 0.28 0.00 0.00 0.21 0.00 0.00 52.86 53.35 2wbh s ASN 24 Cb 0.00 0.33 0.00 0.00 -0.55 0.00 0.00 41.25 41.03 2wbh s ASN 24 CO 0.00 -0.44 0.89 0.33 -2.79 0.00 0.00 177.10 175.09 2wbh n PHE 25 N 0.40 0.00 -1.99 0.43 -0.00 -1.25 -0.97 117.46 114.08 2wbh n PHE 25 Ca -0.10 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.94 2wbh n PHE 25 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 40.06 2wbh n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wbh s ALA 26 N 0.00 3.55 -1.39 3.13 0.00 -1.26 -2.10 121.76 123.68 2wbh s ALA 26 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.34 2wbh s ALA 26 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2wbh s ALA 26 CO 0.00 -0.80 0.00 0.09 0.00 0.00 0.00 175.76 175.05 2wbh n ASN 27 N 0.95 -4.84 -1.06 0.00 3.02 -1.26 -2.80 115.26 109.27 2wbh n ASN 27 Ca 0.01 -0.01 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 2wbh n ASN 27 Cb 0.41 -3.95 -0.05 0.00 -0.61 0.00 0.00 39.78 35.57 2wbh n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wbh n GLY 28 N -1.02 1.33 3.21 7.41 0.00 -0.89 -4.98 105.19 110.26 2wbh n GLY 28 Ca -0.19 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 2wbh n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbh s VAL 29 N -2.51 3.10 0.10 1.61 1.01 -1.12 -4.70 120.40 117.89 2wbh s VAL 29 Ca 0.00 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.57 2wbh s VAL 29 Cb 0.00 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 2wbh s VAL 29 CO 0.00 0.06 1.08 0.00 0.00 0.00 0.00 175.10 176.25 2wbh s ALA 30 N 1.33 3.32 0.00 5.51 0.00 -0.50 -3.87 121.76 127.55 2wbh s ALA 30 Ca -0.01 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.74 2wbh s ALA 30 Cb -0.18 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 2wbh s ALA 30 CO -0.02 -0.25 -0.18 -2.00 0.00 0.00 0.00 175.76 173.31 2wbh s GLU 31 N 0.34 1.41 -0.06 0.00 2.12 -0.14 -1.30 118.70 121.07 2wbh s GLU 31 Ca 0.52 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 55.18 2wbh s GLU 31 Cb -0.27 -1.40 0.00 0.00 0.26 0.00 0.00 34.13 32.73 2wbh s GLU 31 CO 0.31 0.38 -0.17 -1.58 -0.54 0.00 0.00 175.26 173.66 2wbh s TRP 32 N -0.52 1.77 0.26 5.30 0.51 0.03 -0.49 118.94 125.81 2wbh s TRP 32 Ca 0.07 -0.61 0.06 0.00 -2.12 0.00 0.00 56.10 53.50 2wbh s TRP 32 Cb -0.07 -1.23 -0.06 0.00 -0.81 0.00 0.00 33.47 31.31 2wbh s TRP 32 CO -0.00 -0.26 -0.06 0.96 -0.51 0.00 0.00 176.95 177.08 2wbh s ILE 33 N 0.34 1.58 0.84 2.03 -0.00 -0.62 -1.20 121.20 124.17 2wbh s ILE 33 Ca -0.11 -2.13 -0.12 0.00 -0.00 0.00 0.00 60.65 58.30 2wbh s ILE 33 Cb -0.14 -2.38 0.12 0.00 -0.00 0.00 0.00 42.46 40.06 2wbh s ILE 33 CO 0.04 -0.35 1.19 -0.94 -0.00 0.00 0.00 174.94 174.88 2wbh s SER 34 N -3.41 4.10 -1.44 4.36 1.04 -0.84 -1.43 113.70 116.08 2wbh s SER 34 Ca 0.28 0.51 -0.09 0.00 0.48 0.00 0.00 55.95 57.12 2wbh s SER 34 Cb 0.03 -0.87 0.05 0.00 0.10 0.00 0.00 66.02 65.33 2wbh s SER 34 CO 0.11 -2.12 2.43 -0.24 0.98 0.00 0.00 173.24 174.39 2wbh n SER 35 N -3.37 6.80 -2.68 7.02 2.88 -1.26 -4.78 113.62 118.22 2wbh n SER 35 Ca 0.11 -2.90 -0.12 0.00 -1.33 0.00 0.00 58.87 54.63 2wbh n SER 35 Cb 0.60 -1.51 -0.03 0.00 -0.75 0.00 0.00 64.21 62.52 2wbh n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2wbh n ASN 36 N 3.63 1.33 -4.78 -3.46 4.13 -1.26 -5.09 115.26 109.76 2wbh n ASN 36 Ca 0.61 -2.00 -0.32 0.00 1.68 0.00 0.00 54.58 54.54 2wbh n ASN 36 Cb 0.29 0.43 0.05 0.00 -1.54 0.00 0.00 39.78 39.01 2wbh n ASN 36 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2wbh s SER 37 N -2.18 5.13 0.58 6.41 1.04 -1.26 -4.82 113.70 118.60 2wbh s SER 37 Ca 0.08 1.88 0.33 0.00 0.48 0.00 0.00 55.95 58.72 2wbh s SER 37 Cb 0.00 -2.53 1.81 0.00 0.10 0.00 0.00 66.02 65.40 2wbh s SER 37 CO 0.06 -1.62 2.20 -0.09 0.98 0.00 0.00 173.24 174.77 2wbh h ARG 38 N -0.25 0.00 0.00 4.02 9.65 -1.97 -0.93 114.38 124.90 2wbh h ARG 38 Ca -0.46 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.32 2wbh h ARG 38 Cb 1.23 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.80 2wbh h ARG 38 CO 0.54 0.04 -0.49 0.66 2.80 0.00 0.00 179.97 183.53 2wbh h SER 39 N 0.00 0.00 -0.21 -3.80 4.64 -1.90 -3.30 113.55 108.98 2wbh h SER 39 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wbh h SER 39 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2wbh h SER 39 CO 0.01 0.49 0.00 0.00 -0.87 0.00 0.00 176.83 176.46 2wbh n GLN 40 N -3.48 2.82 -3.10 4.77 6.02 -0.44 -3.81 117.38 120.17 2wbh n GLN 40 Ca 0.00 -2.01 -0.34 0.00 -0.01 0.00 0.00 57.00 54.64 2wbh n GLN 40 Cb 0.61 -1.27 -0.06 0.00 1.02 0.00 0.00 30.24 30.54 2wbh n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wbh s ALA 41 N -1.33 3.35 0.45 -1.58 0.00 -0.70 -4.83 121.76 117.12 2wbh s ALA 41 Ca 0.19 0.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.05 2wbh s ALA 41 Cb 0.12 -2.82 -0.08 0.00 0.00 0.00 0.00 23.12 20.34 2wbh s ALA 41 CO 0.09 0.32 1.12 0.71 0.00 0.00 0.00 175.76 178.01 2wbh s TYR 42 N -1.77 2.98 0.01 0.00 1.51 -1.26 -4.67 117.35 114.15 2wbh s TYR 42 Ca 0.49 1.57 0.01 0.00 -1.01 0.00 0.00 57.07 58.14 2wbh s TYR 42 Cb -0.13 -3.29 -0.01 0.00 -0.11 0.00 0.00 41.96 38.42 2wbh s TYR 42 CO 0.19 -1.22 -0.05 0.21 -1.11 0.00 0.00 175.55 173.57 2wbh s LYS 43 N -2.70 0.38 -0.03 -0.62 2.20 -1.12 -1.99 119.74 115.86 2wbh s LYS 43 Ca 0.63 -0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.96 2wbh s LYS 43 Cb -0.26 -0.31 0.01 0.00 -1.51 0.00 0.00 37.83 35.76 2wbh s LYS 43 CO 0.31 0.08 -0.07 0.08 -0.36 0.00 0.00 175.35 175.39 2wbh s VAL 44 N -0.41 0.64 0.08 4.02 1.01 -0.34 -1.44 120.40 123.95 2wbh s VAL 44 Ca -0.01 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2wbh s VAL 44 Cb -0.04 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 2wbh s VAL 44 CO -0.00 0.22 -0.09 0.42 0.00 0.00 0.00 175.10 175.65 2wbh s THR 45 N 0.43 0.80 -0.13 3.92 -4.23 -0.46 -0.79 115.64 115.18 2wbh s THR 45 Ca -0.06 -1.49 -0.09 0.00 -1.18 0.00 0.00 61.69 58.87 2wbh s THR 45 Cb -0.10 -1.16 0.04 0.00 1.34 0.00 0.00 72.50 72.62 2wbh s THR 45 CO 0.00 -0.53 0.33 0.00 -0.54 0.00 0.00 174.62 173.88 2wbh s SER 47 N 0.74 -0.17 -0.06 0.00 1.04 -0.71 -1.41 113.70 113.13 2wbh s SER 47 Ca -0.05 0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.47 2wbh s SER 47 Cb -0.06 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2wbh s SER 47 CO -0.05 -0.47 -0.23 -0.69 0.98 0.00 0.00 173.24 172.79 2wbh s VAL 48 N -1.50 1.86 0.04 5.02 1.01 -1.26 -0.41 120.40 125.16 2wbh s VAL 48 Ca -0.12 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.91 2wbh s VAL 48 Cb -0.05 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2wbh s VAL 48 CO 0.03 0.52 -0.06 0.00 0.00 0.00 0.00 175.10 175.60 2wbh s ARG 49 N -0.06 0.51 -0.82 2.72 1.70 -0.44 -4.95 118.95 117.61 2wbh s ARG 49 Ca -0.05 -0.83 -0.23 0.00 -0.47 0.00 0.00 55.73 54.14 2wbh s ARG 49 Cb -0.13 -0.10 0.06 0.00 -0.57 0.00 0.00 34.95 34.21 2wbh s ARG 49 CO 0.04 -0.01 1.21 -1.14 -1.08 0.00 0.00 175.30 174.32 2wbh s GLN 50 N -2.07 3.34 0.01 3.89 2.00 -1.26 -0.65 119.66 124.91 2wbh s GLN 50 Ca -0.07 -0.89 -0.25 0.00 -2.00 0.00 0.00 55.36 52.15 2wbh s GLN 50 Cb -0.06 -4.62 -0.16 0.00 0.80 0.00 0.00 33.01 28.97 2wbh s GLN 50 CO -0.02 -2.01 1.21 0.66 -0.50 0.00 0.00 175.29 174.63 2wbh h SER 51 N 9.64 -0.38 -4.15 6.67 4.64 -1.79 -3.45 113.55 124.72 2wbh h SER 51 Ca -0.09 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.01 2wbh h SER 51 Cb 1.04 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2wbh h SER 51 CO 1.26 -0.02 -0.02 -0.24 -0.87 0.00 0.00 176.83 176.95 2wbh n SER 52 N -5.15 0.53 0.05 4.97 2.88 -1.22 -4.98 113.62 110.70 2wbh n SER 52 Ca -0.10 -1.19 -0.08 0.00 -1.33 0.00 0.00 58.87 56.17 2wbh n SER 52 Cb 0.27 -0.04 0.08 0.00 -0.75 0.00 0.00 64.21 63.77 2wbh n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wbh h ALA 53 N 0.54 0.73 -0.39 -1.46 0.00 -2.03 -3.31 119.26 113.34 2wbh h ALA 53 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2wbh h ALA 53 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wbh h ALA 53 CO 0.05 0.73 0.00 1.04 0.00 0.00 0.00 179.25 181.07 2wbh n GLN 54 N -3.88 3.18 -4.16 0.00 6.02 -1.26 -4.94 117.38 112.34 2wbh n GLN 54 Ca -0.03 -2.61 -0.11 0.00 -0.01 0.00 0.00 57.00 54.24 2wbh n GLN 54 Cb 0.64 -1.68 -0.10 0.00 1.02 0.00 0.00 30.24 30.12 2wbh n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2wbh s ASN 55 N -1.34 1.14 0.07 1.08 0.02 -1.25 -1.01 114.94 113.65 2wbh s ASN 55 Ca 0.38 -0.92 0.06 0.00 -1.02 0.00 0.00 52.86 51.37 2wbh s ASN 55 Cb 0.27 0.07 -0.03 0.00 0.02 0.00 0.00 41.25 41.58 2wbh s ASN 55 CO 0.15 -0.40 -0.16 -0.13 0.02 0.00 0.00 177.10 176.57 2wbh s ARG 56 N -3.39 0.97 -0.08 -0.60 0.52 -0.45 -2.42 118.95 113.50 2wbh s ARG 56 Ca 0.08 -0.96 -0.00 0.00 -0.52 0.00 0.00 55.73 54.33 2wbh s ARG 56 Cb 0.02 -1.06 0.02 0.00 0.52 0.00 0.00 34.95 34.46 2wbh s ARG 56 CO -0.03 0.25 -0.05 0.21 0.02 0.00 0.00 175.30 175.70 2wbh s LYS 57 N -1.59 1.06 -0.07 3.54 2.20 0.18 -0.81 119.74 124.25 2wbh s LYS 57 Ca 0.02 -0.12 -0.13 0.00 -0.36 0.00 0.00 55.97 55.39 2wbh s LYS 57 Cb -0.09 -1.17 -0.05 0.00 -1.51 0.00 0.00 37.83 35.01 2wbh s LYS 57 CO 0.02 -0.20 0.31 0.71 -0.36 0.00 0.00 175.35 175.84 2wbh s TYR 58 N 1.46 3.63 -0.20 4.03 1.51 0.12 -1.33 117.35 126.58 2wbh s TYR 58 Ca -0.02 0.78 0.01 0.00 -1.01 0.00 0.00 57.07 56.83 2wbh s TYR 58 Cb -0.13 -2.22 0.04 0.00 -0.11 0.00 0.00 41.96 39.54 2wbh s TYR 58 CO -0.04 0.56 -0.10 0.99 -1.11 0.00 0.00 175.55 175.86 2wbh s THR 59 N -0.66 1.63 -0.05 -0.71 2.01 0.45 -0.87 115.64 117.43 2wbh s THR 59 Ca 0.20 -1.03 0.05 0.00 0.31 0.00 0.00 61.69 61.22 2wbh s THR 59 Cb -0.15 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 2wbh s THR 59 CO 0.09 0.14 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.33 2wbh s ILE 60 N 1.40 2.57 0.02 1.82 1.01 -0.17 -1.74 121.20 126.10 2wbh s ILE 60 Ca -0.02 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.74 2wbh s ILE 60 Cb -0.16 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 2wbh s ILE 60 CO -0.08 0.58 -0.05 -0.54 0.00 0.00 0.00 174.94 174.85 2wbh s LYS 61 N -0.51 0.36 -0.02 2.79 1.02 -0.42 -1.09 119.74 121.87 2wbh s LYS 61 Ca 0.07 -0.41 0.03 0.00 0.02 0.00 0.00 55.97 55.67 2wbh s LYS 61 Cb -0.11 -0.21 -0.00 0.00 -0.52 0.00 0.00 37.83 36.99 2wbh s LYS 61 CO 0.01 0.04 -0.11 0.08 -0.92 0.00 0.00 175.35 174.46 2wbh s VAL 62 N -0.75 0.89 -0.13 3.17 1.01 -0.40 -1.35 120.40 122.84 2wbh s VAL 62 Ca -0.05 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2wbh s VAL 62 Cb -0.06 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.56 2wbh s VAL 62 CO -0.00 0.27 -0.21 -1.61 0.00 0.00 0.00 175.10 173.54 2wbh s GLU 63 N 0.02 3.08 -0.26 2.72 2.02 -0.52 -1.30 118.70 124.47 2wbh s GLU 63 Ca -0.01 -0.84 -0.04 0.00 0.02 0.00 0.00 54.97 54.11 2wbh s GLU 63 Cb -0.07 -2.43 0.01 0.00 0.10 0.00 0.00 34.13 31.73 2wbh s GLU 63 CO 0.00 0.07 -0.01 0.08 0.02 0.00 0.00 175.26 175.42 2wbh s VAL 64 N 0.64 3.39 0.25 2.63 1.01 -0.24 -2.80 120.40 125.27 2wbh s VAL 64 Ca -0.11 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 2wbh s VAL 64 Cb -0.16 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.46 2wbh s VAL 64 CO 0.02 0.22 0.56 -2.16 0.00 0.00 0.00 175.10 173.74 2wbh s PRO 65 N 1.43 3.77 -0.41 2.72 0.04 -1.26 -0.06 135.00 141.23 2wbh s PRO 65 Ca 0.03 0.23 -0.08 0.00 0.04 0.00 0.00 61.00 61.21 2wbh s PRO 65 Cb -0.16 -2.64 0.07 0.00 0.04 0.00 0.00 34.50 31.82 2wbh s PRO 65 CO -0.02 0.29 0.24 0.21 0.04 0.00 0.00 177.00 177.75 2wbh s LYS 66 N -2.98 2.57 0.52 4.56 2.47 0.39 -4.97 119.74 122.30 2wbh s LYS 66 Ca 0.47 -1.44 -0.19 0.00 -1.56 0.00 0.00 55.97 53.25 2wbh s LYS 66 Cb -0.11 -3.73 -0.07 0.00 -1.46 0.00 0.00 37.83 32.46 2wbh s LYS 66 CO 0.23 -0.92 1.05 0.14 0.16 0.00 0.00 175.35 176.01 2wbh s VAL 67 N 1.41 3.72 0.31 4.02 -7.23 -1.26 0.98 120.40 122.35 2wbh s VAL 67 Ca 0.03 1.01 -0.16 0.00 -1.81 0.00 0.00 61.98 61.05 2wbh s VAL 67 Cb -0.22 -3.42 0.02 0.00 0.56 0.00 0.00 36.38 33.32 2wbh s VAL 67 CO 0.02 -0.29 0.66 0.00 -0.31 0.00 0.00 175.10 175.18 2wbh s ALA 68 N -2.07 -0.67 -0.16 1.32 0.00 -0.38 -4.68 121.76 115.12 2wbh s ALA 68 Ca 0.67 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 2wbh s ALA 68 Cb -0.17 0.88 0.04 0.00 0.00 0.00 0.00 23.12 23.87 2wbh s ALA 68 CO 0.25 -0.96 -0.06 0.99 0.00 0.00 0.00 175.76 175.98 2wbh s THR 69 N -3.38 1.10 -0.05 0.00 2.01 -1.26 -1.17 115.64 112.88 2wbh s THR 69 Ca 0.17 -0.57 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 2wbh s THR 69 Cb -0.04 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2wbh s THR 69 CO 0.10 0.18 0.06 -1.58 -0.69 0.00 0.00 174.62 172.69 2wbh s GLN 70 N 1.65 3.09 -0.39 4.92 0.74 -0.26 -4.89 119.66 124.50 2wbh s GLN 70 Ca 0.02 -0.40 -0.19 0.00 0.05 0.00 0.00 55.36 54.83 2wbh s GLN 70 Cb -0.15 -2.88 0.01 0.00 1.10 0.00 0.00 33.01 31.09 2wbh s GLN 70 CO -0.08 0.69 0.57 0.99 -0.55 0.00 0.00 175.29 176.91 2wbh s THR 71 N -1.05 4.93 -0.16 -0.34 2.01 -1.26 -0.23 115.64 119.54 2wbh s THR 71 Ca 0.18 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.42 2wbh s THR 71 Cb -0.12 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.32 2wbh s THR 71 CO 0.08 -0.39 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.76 2wbh s VAL 72 N 2.57 2.53 -1.75 3.82 1.01 0.58 -4.64 120.40 124.53 2wbh s VAL 72 Ca 0.20 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2wbh s VAL 72 Cb -0.15 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.17 2wbh s VAL 72 CO 0.16 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.39 2wbh n GLY 73 N 4.14 -0.06 2.11 4.51 0.00 -1.26 -1.06 105.19 113.56 2wbh n GLY 73 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2wbh n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbh n GLY 74 N -0.87 0.72 3.39 -0.02 0.00 -1.26 -5.02 105.19 102.14 2wbh n GLY 74 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2wbh n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbh s VAL 75 N -2.75 2.69 -0.20 1.61 1.01 -0.23 -5.09 120.40 117.44 2wbh s VAL 75 Ca 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 2wbh s VAL 75 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2wbh s VAL 75 CO 0.00 0.58 0.45 -1.61 0.00 0.00 0.00 175.10 174.52 2wbh s GLU 76 N -0.45 4.17 -0.05 2.72 2.02 -1.26 -0.30 118.70 125.55 2wbh s GLU 76 Ca 0.05 0.29 0.05 0.00 0.02 0.00 0.00 54.97 55.38 2wbh s GLU 76 Cb -0.12 -3.56 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 2wbh s GLU 76 CO 0.02 -0.10 -0.19 -0.51 0.02 0.00 0.00 175.26 174.49 2wbh s LEU 77 N 1.50 2.44 0.01 1.80 1.43 0.68 -4.93 118.68 121.60 2wbh s LEU 77 Ca 0.21 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 2wbh s LEU 77 Cb -0.15 -1.47 -0.06 0.00 0.03 0.00 0.00 46.19 44.54 2wbh s LEU 77 CO 0.09 0.32 1.48 -2.16 0.23 0.00 0.00 176.35 176.30 2wbh s PRO 78 N -0.57 4.25 0.19 1.29 0.04 -1.26 -1.11 135.00 137.83 2wbh s PRO 78 Ca 0.08 2.07 -0.03 0.00 0.04 0.00 0.00 61.00 63.16 2wbh s PRO 78 Cb -0.11 -3.62 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 2wbh s PRO 78 CO 0.01 -0.64 0.17 0.54 0.04 0.00 0.00 177.00 177.12 2wbh s VAL 79 N 2.61 0.03 -0.18 -0.36 0.11 -0.31 -4.74 120.40 117.55 2wbh s VAL 79 Ca 0.67 -1.86 -0.02 0.00 -2.93 0.00 0.00 61.98 57.84 2wbh s VAL 79 Cb -0.33 -2.32 -0.01 0.00 -1.53 0.00 0.00 36.38 32.19 2wbh s VAL 79 CO 0.28 -0.12 -0.09 0.00 -3.33 0.00 0.00 175.10 171.84 2wbh s ALA 80 N -4.10 2.70 0.43 1.54 0.00 -1.25 -1.25 121.76 119.83 2wbh s ALA 80 Ca 0.32 -1.07 0.15 0.00 0.00 0.00 0.00 51.96 51.36 2wbh s ALA 80 Cb 0.06 -1.48 0.97 0.00 0.00 0.00 0.00 23.12 22.67 2wbh s ALA 80 CO 0.09 -0.18 1.96 0.00 0.00 0.00 0.00 175.76 177.63 2wbh h ALA 81 N 7.59 1.61 -2.08 0.00 0.00 0.34 -3.46 119.26 123.26 2wbh h ALA 81 Ca -0.37 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.53 2wbh h ALA 81 Cb 1.18 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 2wbh h ALA 81 CO 0.59 0.27 0.58 1.67 0.00 0.00 0.00 179.25 182.36 2wbh s TRP 82 N -4.53 -0.20 0.07 0.00 1.48 -1.24 -5.00 118.94 109.52 2wbh s TRP 82 Ca -0.04 0.03 0.04 0.00 -1.06 0.00 0.00 56.10 55.07 2wbh s TRP 82 Cb 0.15 0.57 -0.03 0.00 -1.16 0.00 0.00 33.47 33.00 2wbh s TRP 82 CO 0.70 -0.56 -0.13 1.03 -4.06 0.00 0.00 176.95 173.93 2wbh s ARG 83 N -2.99 0.76 0.02 3.25 0.52 -1.26 -0.46 118.95 118.78 2wbh s ARG 83 Ca 0.09 -0.92 0.02 0.00 -0.52 0.00 0.00 55.73 54.39 2wbh s ARG 83 Cb -0.00 -0.69 -0.04 0.00 0.52 0.00 0.00 34.95 34.74 2wbh s ARG 83 CO -0.04 0.15 0.03 0.45 0.02 0.00 0.00 175.30 175.91 2wbh s SER 84 N -1.75 5.28 -0.14 0.23 0.15 0.91 -4.92 113.70 113.47 2wbh s SER 84 Ca -0.03 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2wbh s SER 84 Cb -0.10 -1.40 0.02 0.00 -1.71 0.00 0.00 66.02 62.83 2wbh s SER 84 CO 0.02 0.25 -0.13 -0.31 1.20 0.00 0.00 173.24 174.27 2wbh s TYR 85 N -1.17 2.03 -0.12 3.44 2.02 -1.26 -1.08 117.35 121.21 2wbh s TYR 85 Ca 0.22 -1.11 -0.05 0.00 -0.37 0.00 0.00 57.07 55.76 2wbh s TYR 85 Cb -0.12 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.89 2wbh s TYR 85 CO 0.13 -0.63 0.07 -1.17 -1.57 0.00 0.00 175.55 172.39 2wbh s LEU 86 N 1.49 3.98 -0.17 -1.29 2.96 -0.42 -4.97 118.68 120.26 2wbh s LEU 86 Ca 0.04 0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 54.19 2wbh s LEU 86 Cb -0.13 -1.95 0.08 0.00 0.50 0.00 0.00 46.19 44.68 2wbh s LEU 86 CO -0.10 0.36 0.18 0.21 -1.32 0.00 0.00 176.35 175.69 2wbh s ASN 87 N -0.76 1.41 -0.01 3.68 3.84 -1.26 -1.27 114.94 120.57 2wbh s ASN 87 Ca 0.13 -0.16 0.03 0.00 0.21 0.00 0.00 52.86 53.07 2wbh s ASN 87 Cb -0.12 0.24 -0.01 0.00 -0.55 0.00 0.00 41.25 40.82 2wbh s ASN 87 CO 0.03 -0.31 -0.10 0.00 -2.79 0.00 0.00 177.10 173.93 2wbh s MET 88 N 2.28 0.85 -0.11 0.43 0.23 -0.25 -5.02 119.30 117.72 2wbh s MET 88 Ca 0.05 -0.35 0.03 0.00 -1.03 0.00 0.00 55.69 54.39 2wbh s MET 88 Cb -0.15 -0.82 0.00 0.00 -1.53 0.00 0.00 34.83 32.33 2wbh s MET 88 CO -0.10 0.20 -0.22 -1.21 -2.03 0.00 0.00 175.02 171.66 2wbh s GLU 89 N -0.16 3.09 -0.19 3.16 2.02 -1.26 -1.00 118.70 124.36 2wbh s GLU 89 Ca 0.03 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.18 2wbh s GLU 89 Cb -0.05 -2.37 0.03 0.00 0.10 0.00 0.00 34.13 31.84 2wbh s GLU 89 CO -0.00 0.14 -0.19 -1.17 0.02 0.00 0.00 175.26 174.06 2wbh s LEU 90 N 0.44 2.29 -0.27 1.80 2.96 -0.05 -4.96 118.68 120.88 2wbh s LEU 90 Ca -0.16 -0.74 -0.08 0.00 -0.22 0.00 0.00 54.13 52.93 2wbh s LEU 90 Cb -0.17 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 2wbh s LEU 90 CO 0.06 -0.02 0.10 -0.89 -1.32 0.00 0.00 176.35 174.28 2wbh s THR 91 N 1.27 4.42 -0.09 3.68 2.01 -1.26 -0.70 115.64 124.97 2wbh s THR 91 Ca 0.03 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 61.84 2wbh s THR 91 Cb -0.14 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 2wbh s THR 91 CO -0.12 0.26 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.25 2wbh s ILE 92 N 1.62 2.52 0.59 1.82 1.01 0.01 -4.95 121.20 123.83 2wbh s ILE 92 Ca 0.06 -0.88 -0.19 0.00 0.00 0.00 0.00 60.65 59.65 2wbh s ILE 92 Cb -0.16 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2wbh s ILE 92 CO 0.05 0.56 1.20 -2.16 0.00 0.00 0.00 174.94 174.59 2wbh s PRO 93 N 0.03 2.99 0.55 2.79 0.04 -1.26 -1.34 135.00 138.79 2wbh s PRO 93 Ca -0.07 1.82 0.36 0.00 0.04 0.00 0.00 61.00 63.14 2wbh s PRO 93 Cb -0.15 -1.93 1.64 0.00 0.04 0.00 0.00 34.50 34.10 2wbh s PRO 93 CO 0.05 -1.19 2.06 -0.84 0.04 0.00 0.00 177.00 177.12 2wbh h ILE 94 N 0.89 0.00 0.00 0.56 3.07 -1.41 -2.81 117.51 117.81 2wbh h ILE 94 Ca -0.50 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 65.60 2wbh h ILE 94 Cb 1.30 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 2wbh h ILE 94 CO 0.55 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.14 2wbh n PHE 95 N -2.96 0.00 -2.47 0.16 3.72 -1.26 -4.82 117.46 109.82 2wbh n PHE 95 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2wbh n PHE 95 Cb 0.22 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 2wbh n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wbh s ALA 96 N -2.27 3.52 1.06 4.37 0.00 -1.06 -5.03 121.76 122.35 2wbh s ALA 96 Ca 0.37 0.56 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 2wbh s ALA 96 Cb 0.20 -3.53 0.22 0.00 0.00 0.00 0.00 23.12 20.01 2wbh s ALA 96 CO 0.39 -0.83 1.07 0.99 0.00 0.00 0.00 175.76 177.37 2wbh s THR 97 N 2.46 2.15 0.18 0.00 2.01 -1.26 -4.81 115.64 116.37 2wbh s THR 97 Ca 0.55 0.05 -0.09 0.00 0.31 0.00 0.00 61.69 62.50 2wbh s THR 97 Cb -0.23 -2.23 0.06 0.00 0.01 0.00 0.00 72.50 70.11 2wbh s THR 97 CO 0.20 -0.06 1.63 0.78 -0.69 0.00 0.00 174.62 176.48 2wbh h ASN 98 N -2.23 1.06 -0.48 3.53 2.35 -1.98 -0.30 115.58 117.53 2wbh h ASN 98 Ca -0.56 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 54.88 2wbh h ASN 98 Cb 1.31 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 39.37 2wbh h ASN 98 CO 0.51 1.12 0.30 0.77 -1.65 0.00 0.00 177.43 178.48 2wbh h SER 99 N 0.98 0.57 -0.58 5.81 4.64 -1.99 0.11 113.55 123.08 2wbh h SER 99 Ca 0.17 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 2wbh h SER 99 Cb 0.59 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2wbh h SER 99 CO 0.04 0.43 0.17 0.44 -0.87 0.00 0.00 176.83 177.04 2wbh h ASP 100 N 0.67 0.86 -0.38 4.97 3.32 -1.78 -2.71 116.42 121.36 2wbh h ASP 100 Ca 0.18 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 2wbh h ASP 100 Cb -0.04 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2wbh h ASP 100 CO -0.04 0.85 -0.08 0.00 -1.72 0.00 0.00 179.24 178.25 2wbh h GLU 102 N 0.74 0.44 -0.80 0.00 5.08 -0.59 -0.09 114.58 119.37 2wbh h GLU 102 Ca 0.13 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2wbh h GLU 102 Cb 0.56 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2wbh h GLU 102 CO 0.03 0.29 0.39 1.25 -1.00 0.00 0.00 179.01 179.98 2wbh h LEU 103 N 0.45 1.04 -0.27 1.33 5.85 -1.15 -0.08 115.31 122.49 2wbh h LEU 103 Ca 0.15 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2wbh h LEU 103 Cb 0.06 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2wbh h LEU 103 CO -0.04 0.88 0.10 0.40 -0.34 0.00 0.00 178.44 179.44 2wbh h ILE 104 N 1.13 1.19 -0.71 4.05 2.04 -0.87 0.01 117.51 124.34 2wbh h ILE 104 Ca 0.27 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2wbh h ILE 104 Cb 0.11 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2wbh h ILE 104 CO -0.04 0.19 0.36 0.58 0.00 0.00 0.00 178.15 179.25 2wbh h VAL 105 N 0.29 1.23 -0.50 1.67 2.07 -1.03 -0.26 116.25 119.71 2wbh h VAL 105 Ca 0.09 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 2wbh h VAL 105 Cb 0.21 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2wbh h VAL 105 CO -0.01 0.26 0.12 0.11 0.02 0.00 0.00 177.57 178.08 2wbh h LYS 106 N 0.99 0.76 -0.32 1.57 1.57 -0.71 -1.09 116.57 119.33 2wbh h LYS 106 Ca 0.25 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 2wbh h LYS 106 Cb 0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2wbh h LYS 106 CO -0.04 0.68 -0.41 0.00 -0.57 0.00 0.00 179.45 179.12 2wbh h ALA 107 N 1.40 0.67 -0.34 3.86 0.00 -0.11 -0.81 119.26 123.94 2wbh h ALA 107 Ca 0.16 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 2wbh h ALA 107 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2wbh h ALA 107 CO -0.00 0.67 -0.28 0.52 0.00 0.00 0.00 179.25 180.15 2wbh h MET 108 N 0.64 0.70 0.00 0.00 2.86 -0.61 -0.88 114.93 117.63 2wbh h MET 108 Ca 0.05 -0.30 -0.16 0.00 -2.06 0.00 0.00 59.70 57.22 2wbh h MET 108 Cb 0.97 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 2wbh h MET 108 CO 0.09 0.90 -0.77 -0.56 1.06 0.00 0.00 176.91 177.63 2wbh h GLN 109 N 0.60 0.00 -0.73 1.72 3.07 -0.94 -3.13 115.11 115.69 2wbh h GLN 109 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.75 2wbh h GLN 109 Cb 0.78 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.31 2wbh h GLN 109 CO 0.06 0.77 0.22 0.78 0.09 0.00 0.00 178.83 180.76 2wbh h GLY 110 N 3.02 1.22 0.11 0.06 0.00 -0.88 -2.12 103.07 104.49 2wbh h GLY 110 Ca -0.01 -0.73 0.15 0.00 0.00 0.00 0.00 47.33 46.74 2wbh h GLY 110 CO 0.10 0.68 0.32 -2.00 0.00 0.00 0.00 176.54 175.64 2wbh h LEU 111 N 1.08 0.30 -2.61 3.11 5.85 -1.11 -2.52 115.31 119.40 2wbh h LEU 111 Ca 0.23 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.07 2wbh h LEU 111 Cb 0.31 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2wbh h LEU 111 CO -0.01 0.10 0.00 0.18 -0.34 0.00 0.00 178.44 178.37 2wbh n LEU 112 N -5.00 3.76 -4.77 2.25 4.77 -0.99 -4.43 117.00 112.60 2wbh n LEU 112 Ca 0.15 -1.83 -0.40 0.00 -0.03 0.00 0.00 56.01 53.90 2wbh n LEU 112 Cb 0.44 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2wbh n LEU 112 CO 0.18 0.90 1.06 -0.75 -1.33 0.00 0.00 177.39 177.45 2wbh s LYS 113 N -1.16 3.69 0.09 3.23 2.20 -0.83 -4.79 119.74 122.17 2wbh s LYS 113 Ca 0.45 2.40 -0.36 0.00 -0.36 0.00 0.00 55.97 58.10 2wbh s LYS 113 Cb 0.24 -2.65 -0.15 0.00 -1.51 0.00 0.00 37.83 33.75 2wbh s LYS 113 CO 0.32 -0.81 1.48 -0.25 -0.36 0.00 0.00 175.35 175.74 2wbh n ASP 114 N -0.19 2.36 0.00 1.43 8.00 -1.26 -1.47 116.55 125.42 2wbh n ASP 114 Ca 0.05 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.65 2wbh n ASP 114 Cb 0.42 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 2wbh n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wbh n GLY 115 N 3.05 3.37 3.81 0.44 0.00 -1.26 -5.07 105.19 109.53 2wbh n GLY 115 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2wbh n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wbh s ASN 116 N -1.00 4.43 0.13 1.61 0.01 -0.54 -4.87 114.94 114.70 2wbh s ASN 116 Ca 0.00 1.27 -0.22 0.00 -0.71 0.00 0.00 52.86 53.20 2wbh s ASN 116 Cb 0.00 -1.99 -0.03 0.00 0.41 0.00 0.00 41.25 39.64 2wbh s ASN 116 CO 0.00 -2.01 1.68 -0.65 -1.51 0.00 0.00 177.10 174.61 2wbh h PRO 117 N -1.11 -0.15 -0.13 -0.60 0.10 -1.89 -3.00 132.00 125.21 2wbh h PRO 117 Ca -0.47 0.01 -0.01 0.00 0.10 0.00 0.00 66.00 65.63 2wbh h PRO 117 Cb 1.27 0.04 -0.01 0.00 0.10 0.00 0.00 31.00 32.40 2wbh h PRO 117 CO 0.60 -0.10 0.04 0.82 0.10 0.00 0.00 178.00 179.46 2wbh h ILE 118 N -0.16 1.18 -0.52 4.15 2.04 -1.93 -1.45 117.51 120.81 2wbh h ILE 118 Ca 0.09 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.45 2wbh h ILE 118 Cb 0.28 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2wbh h ILE 118 CO -0.22 0.16 0.35 1.55 0.00 0.00 0.00 178.15 179.99 2wbh h PRO 119 N 0.04 0.53 -0.50 2.37 0.13 -1.77 -2.13 132.00 130.66 2wbh h PRO 119 Ca 0.04 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 65.04 2wbh h PRO 119 Cb 0.21 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.21 2wbh h PRO 119 CO -0.00 0.35 -0.11 0.77 -0.23 0.00 0.00 178.00 178.78 2wbh h SER 120 N 0.54 0.93 -0.03 1.44 0.02 -1.23 -0.96 113.55 114.27 2wbh h SER 120 Ca 0.22 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2wbh h SER 120 Cb 0.18 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2wbh h SER 120 CO -0.06 1.05 -0.00 0.00 -1.14 0.00 0.00 176.83 176.68 2wbh h ALA 121 N 1.03 0.04 -0.39 3.77 0.00 -0.66 -2.57 119.26 120.49 2wbh h ALA 121 Ca 0.13 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2wbh h ALA 121 Cb 0.64 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2wbh h ALA 121 CO 0.04 -0.28 0.13 0.82 0.00 0.00 0.00 179.25 179.96 2wbh h ILE 122 N -0.28 0.87 0.00 0.00 2.04 -1.25 -0.49 117.51 118.40 2wbh h ILE 122 Ca 0.01 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2wbh h ILE 122 Cb 0.36 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2wbh h ILE 122 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.20 2wbh n ALA 123 N -2.36 1.57 0.13 1.87 0.00 -0.38 -1.54 120.51 119.80 2wbh n ALA 123 Ca 0.02 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.58 2wbh n ALA 123 Cb 0.15 -1.32 0.11 0.00 0.00 0.00 0.00 19.45 18.39 2wbh n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wbh n ALA 124 N -1.69 2.33 -3.82 0.00 0.00 -0.31 -4.94 120.51 112.07 2wbh n ALA 124 Ca 0.02 -0.90 -0.28 0.00 0.00 0.00 0.00 53.44 52.28 2wbh n ALA 124 Cb 0.18 -0.45 0.04 0.00 0.00 0.00 0.00 19.45 19.22 2wbh n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wbh n ASN 125 N 0.66 -4.84 -4.49 0.00 3.02 -0.59 -4.98 115.26 104.03 2wbh n ASN 125 Ca 0.10 -0.72 -0.24 0.00 -0.03 0.00 0.00 54.58 53.69 2wbh n ASN 125 Cb 0.38 -4.19 -0.10 0.00 -0.61 0.00 0.00 39.78 35.25 2wbh n ASN 125 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2wbh s SER 126 N -3.42 3.44 0.18 6.41 0.15 -0.50 -5.05 113.70 114.91 2wbh s SER 126 Ca 0.58 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 56.09 2wbh s SER 126 Cb -0.28 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 2wbh s SER 126 CO 0.80 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.69 2wbh n GLY 127 N -0.68 1.36 3.88 9.45 0.00 -1.26 -4.32 105.19 113.61 2wbh n GLY 127 Ca -0.05 -2.04 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 2wbh n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wbh s ILE 128 N 0.67 5.47 0.00 -0.61 1.09 -1.26 -4.83 121.20 121.73 2wbh s ILE 128 Ca 0.00 0.15 0.00 0.00 -1.10 0.00 0.00 60.65 59.70 2wbh s ILE 128 Cb 0.00 -3.40 0.00 0.00 -1.06 0.00 0.00 42.46 38.00 2wbh s ILE 128 CO 0.00 0.58 0.00 0.00 -0.10 0.00 0.00 174.94 175.42