#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbh n SER 2 N 0.00 0.00 0.09 0.00 2.88 -1.26 -5.07 113.62 110.26 2wbh n SER 2 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2wbh n SER 2 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 2wbh n SER 2 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2wbh h ASN 3 N 0.00 0.26 -0.71 -3.46 2.35 -2.10 -3.44 115.58 108.49 2wbh h ASN 3 Ca 0.00 -0.28 -0.63 0.00 -0.55 0.00 0.00 56.30 54.84 2wbh h ASN 3 Cb 0.00 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.22 2wbh h ASN 3 CO 0.00 1.22 2.11 0.33 -1.65 0.00 0.00 177.43 179.43 2wbh n PHE 4 N -3.47 4.23 -4.52 1.19 7.35 -1.26 -4.86 117.46 116.12 2wbh n PHE 4 Ca -0.05 -2.62 -0.24 0.00 -0.76 0.00 0.00 57.45 53.78 2wbh n PHE 4 Cb 0.99 -2.61 -0.10 0.00 0.35 0.00 0.00 39.48 38.11 2wbh n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2wbh s THR 5 N 5.24 1.14 0.60 -2.13 -4.23 -1.26 -4.84 115.64 110.16 2wbh s THR 5 Ca 0.56 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.89 2wbh s THR 5 Cb 0.04 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 71.20 2wbh s THR 5 CO 0.08 0.00 1.17 -1.58 -0.54 0.00 0.00 174.62 173.74 2wbh s GLN 6 N -3.83 3.01 0.21 3.99 0.74 -1.26 -4.60 119.66 117.92 2wbh s GLN 6 Ca 0.30 1.69 -0.17 0.00 0.05 0.00 0.00 55.36 57.23 2wbh s GLN 6 Cb 0.07 -1.95 0.02 0.00 1.10 0.00 0.00 33.01 32.25 2wbh s GLN 6 CO 0.14 -1.14 0.53 -0.59 -0.55 0.00 0.00 175.29 173.68 2wbh s PHE 7 N -1.79 -0.02 -0.31 1.67 -0.71 -0.90 -5.00 117.98 110.91 2wbh s PHE 7 Ca 0.74 -0.33 -0.21 0.00 -1.04 0.00 0.00 56.93 56.09 2wbh s PHE 7 Cb -0.27 0.37 -0.01 0.00 -1.21 0.00 0.00 43.02 41.91 2wbh s PHE 7 CO 0.33 -0.95 0.67 0.08 -1.34 0.00 0.00 175.22 174.01 2wbh s VAL 8 N -3.91 4.89 -0.13 -2.49 1.01 -1.26 -1.11 120.40 117.41 2wbh s VAL 8 Ca 0.12 0.91 -0.18 0.00 0.00 0.00 0.00 61.98 62.82 2wbh s VAL 8 Cb -0.01 -4.05 -0.25 0.00 0.00 0.00 0.00 36.38 32.07 2wbh s VAL 8 CO 0.00 -0.19 0.50 0.25 0.00 0.00 0.00 175.10 175.66 2wbh h LEU 9 N 9.26 0.25 -8.12 3.92 5.85 -0.79 -3.44 115.31 122.24 2wbh h LEU 9 Ca -0.26 -0.79 -0.67 0.00 0.84 0.00 0.00 57.88 57.00 2wbh h LEU 9 Cb 1.11 -0.08 -0.33 0.00 0.37 0.00 0.00 40.66 41.73 2wbh h LEU 9 CO 0.83 1.52 -0.80 -0.69 -0.34 0.00 0.00 178.44 178.96 2wbh s VAL 10 N -2.42 2.51 -0.51 1.05 1.01 -1.04 -4.97 120.40 116.04 2wbh s VAL 10 Ca -0.22 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 60.64 2wbh s VAL 10 Cb 0.04 -2.18 0.11 0.00 0.00 0.00 0.00 36.38 34.35 2wbh s VAL 10 CO 0.72 0.36 0.45 -0.62 0.00 0.00 0.00 175.10 176.00 2wbh s ASP 11 N 1.31 6.10 -0.31 3.32 2.15 -1.26 -0.69 116.67 127.29 2wbh s ASP 11 Ca 0.02 -1.68 0.02 0.00 0.43 0.00 0.00 52.55 51.34 2wbh s ASP 11 Cb -0.15 -2.17 0.43 0.00 -0.30 0.00 0.00 42.92 40.73 2wbh s ASP 11 CO -0.08 -0.77 1.63 0.59 -0.17 0.00 0.00 175.17 176.37 2wbh n ASN 12 N 5.18 3.73 -2.63 -0.34 3.02 -1.26 -4.90 115.26 118.07 2wbh n ASN 12 Ca -0.13 -3.07 -0.08 0.00 -0.03 0.00 0.00 54.58 51.27 2wbh n ASN 12 Cb 0.41 -0.74 0.04 0.00 -0.61 0.00 0.00 39.78 38.87 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 -0.55 -0.56 3.75 7.41 0.00 -1.26 -4.14 105.19 109.85 2wbh n GLY 13 Ca 0.39 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.36 1.83 3.39 -0.02 0.00 -1.26 -4.90 105.19 102.88 2wbh n GLY 14 Ca -0.04 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2wbh n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wbh s THR 15 N 0.00 4.03 0.00 2.61 -1.32 -1.26 -4.18 115.64 115.52 2wbh s THR 15 Ca 0.00 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 2wbh s THR 15 Cb 0.00 -2.92 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 2wbh s THR 15 CO 0.00 0.30 0.00 0.61 -2.21 0.00 0.00 174.62 173.32 2wbh n GLY 16 N 4.88 1.03 3.82 6.08 0.00 -1.26 -4.71 105.19 115.02 2wbh n GLY 16 Ca -0.16 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.38 6.21 -0.20 1.61 1.11 -1.26 -4.22 116.67 117.53 2wbh s ASP 17 Ca 0.00 1.75 -0.03 0.00 0.18 0.00 0.00 52.55 54.45 2wbh s ASP 17 Cb 0.00 -2.53 -0.00 0.00 1.07 0.00 0.00 42.92 41.45 2wbh s ASP 17 CO 0.00 -0.87 -0.08 -0.69 1.18 0.00 0.00 175.17 174.71 2wbh s VAL 18 N -2.41 3.14 0.01 -1.27 1.01 0.13 -4.96 120.40 116.06 2wbh s VAL 18 Ca 0.63 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2wbh s VAL 18 Cb -0.14 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2wbh s VAL 18 CO 0.31 0.45 0.08 -0.89 0.00 0.00 0.00 175.10 175.05 2wbh s THR 19 N 1.32 4.68 -0.03 3.92 2.01 -1.26 -0.04 115.64 126.24 2wbh s THR 19 Ca 0.04 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.62 2wbh s THR 19 Cb -0.14 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2wbh s THR 19 CO -0.04 0.32 -0.16 0.54 -0.69 0.00 0.00 174.62 174.59 2wbh s VAL 20 N -1.21 1.34 0.13 3.82 0.11 -0.26 -4.47 120.40 119.85 2wbh s VAL 20 Ca 0.24 -0.68 0.08 0.00 -2.93 0.00 0.00 61.98 58.68 2wbh s VAL 20 Cb -0.12 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 2wbh s VAL 20 CO 0.15 0.39 -0.19 0.00 -3.33 0.00 0.00 175.10 172.12 2wbh s ALA 21 N -0.08 1.81 0.15 1.54 0.00 -0.43 -2.12 121.76 122.63 2wbh s ALA 21 Ca -0.01 -1.34 -0.34 0.00 0.00 0.00 0.00 51.96 50.27 2wbh s ALA 21 Cb -0.10 -0.19 -0.15 0.00 0.00 0.00 0.00 23.12 22.68 2wbh s ALA 21 CO 0.01 0.27 1.39 -2.30 0.00 0.00 0.00 175.76 175.13 2wbh n PRO 22 N 0.71 1.57 0.00 0.00 -0.01 -1.26 -1.11 135.00 134.90 2wbh n PRO 22 Ca -0.17 0.56 0.00 0.00 -0.01 0.00 0.00 63.50 63.89 2wbh n PRO 22 Cb 0.55 -2.22 0.00 0.00 -0.01 0.00 0.00 33.50 31.83 2wbh n PRO 22 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 175.50 174.36 2wbh n SER 23 N 2.64 0.25 -3.53 2.55 3.41 0.35 -4.80 113.62 114.49 2wbh n SER 23 Ca 0.16 -0.06 -0.15 0.00 -0.26 0.00 0.00 58.87 58.56 2wbh n SER 23 Cb 0.25 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.22 -0.57 0.00 4.04 3.84 -1.18 -4.96 114.94 115.88 2wbh s ASN 24 Ca 0.00 0.57 0.02 0.00 0.21 0.00 0.00 52.86 53.66 2wbh s ASN 24 Cb 0.00 0.48 0.04 0.00 -0.55 0.00 0.00 41.25 41.21 2wbh s ASN 24 CO 0.00 -0.56 0.94 0.33 -2.79 0.00 0.00 177.10 175.02 2wbh n PHE 25 N 0.74 0.00 -1.80 0.43 7.35 -1.25 -0.92 117.46 122.01 2wbh n PHE 25 Ca -0.16 -0.05 -0.42 0.00 -0.76 0.00 0.00 57.45 56.06 2wbh n PHE 25 Cb 0.58 -0.01 -0.02 0.00 0.35 0.00 0.00 39.48 40.38 2wbh n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wbh s ALA 26 N 0.00 3.81 -1.47 3.13 0.00 -1.26 -1.66 121.76 124.31 2wbh s ALA 26 Ca 0.03 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.53 2wbh s ALA 26 Cb 0.03 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2wbh s ALA 26 CO -0.01 -0.92 0.00 0.09 0.00 0.00 0.00 175.76 174.91 2wbh n ASN 27 N 3.03 -4.77 -0.48 0.00 3.02 -1.26 -2.44 115.26 112.36 2wbh n ASN 27 Ca 0.11 0.15 -0.06 0.00 -0.03 0.00 0.00 54.58 54.75 2wbh n ASN 27 Cb 0.37 -3.80 -0.03 0.00 -0.61 0.00 0.00 39.78 35.71 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 -1.03 0.71 3.56 7.41 0.00 -0.66 -4.98 105.19 110.20 2wbh n GLY 28 Ca -0.17 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.79 4.95 0.01 1.61 1.01 -1.02 -4.81 120.40 120.35 2wbh s VAL 29 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 2wbh s VAL 29 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2wbh s VAL 29 CO 0.00 -0.29 1.11 0.00 0.00 0.00 0.00 175.10 175.92 2wbh s ALA 30 N 2.56 3.32 -0.01 5.51 0.00 -0.88 -3.92 121.76 128.34 2wbh s ALA 30 Ca 0.21 0.67 0.08 0.00 0.00 0.00 0.00 51.96 52.93 2wbh s ALA 30 Cb -0.15 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 2wbh s ALA 30 CO 0.14 -0.42 -0.26 -2.00 0.00 0.00 0.00 175.76 173.23 2wbh s GLU 31 N 1.26 2.05 0.00 0.00 2.12 -0.09 -1.87 118.70 122.17 2wbh s GLU 31 Ca 0.55 -0.96 0.07 0.00 0.36 0.00 0.00 54.97 54.99 2wbh s GLU 31 Cb -0.25 -2.03 -0.02 0.00 0.26 0.00 0.00 34.13 32.09 2wbh s GLU 31 CO 0.27 0.55 -0.21 -1.58 -0.54 0.00 0.00 175.26 173.75 2wbh s TRP 32 N -0.65 1.84 0.08 5.30 0.51 -0.52 -0.50 118.94 125.00 2wbh s TRP 32 Ca 0.10 -0.36 0.03 0.00 -2.12 0.00 0.00 56.10 53.76 2wbh s TRP 32 Cb -0.10 -1.16 -0.03 0.00 -0.81 0.00 0.00 33.47 31.37 2wbh s TRP 32 CO -0.00 0.00 -0.09 -1.50 -0.51 0.00 0.00 176.95 174.85 2wbh s ILE 33 N -0.57 0.78 0.69 2.03 2.07 -0.26 -1.57 121.20 124.36 2wbh s ILE 33 Ca 0.08 -1.46 -0.03 0.00 -1.41 0.00 0.00 60.65 57.83 2wbh s ILE 33 Cb -0.08 -1.12 0.09 0.00 0.13 0.00 0.00 42.46 41.48 2wbh s ILE 33 CO -0.00 -0.51 0.96 -0.94 -1.91 0.00 0.00 174.94 172.54 2wbh s SER 34 N -2.17 4.64 -1.29 4.50 1.04 -0.56 -1.31 113.70 118.56 2wbh s SER 34 Ca 0.00 0.00 -0.18 0.00 0.48 0.00 0.00 55.95 56.25 2wbh s SER 34 Cb -0.05 -0.57 0.03 0.00 0.10 0.00 0.00 66.02 65.53 2wbh s SER 34 CO -0.00 -1.65 1.87 -0.24 0.98 0.00 0.00 173.24 174.20 2wbh n SER 35 N -2.79 4.32 -3.46 7.02 2.88 -1.26 -4.78 113.62 115.55 2wbh n SER 35 Ca 0.11 -2.86 -0.09 0.00 -1.33 0.00 0.00 58.87 54.70 2wbh n SER 35 Cb 0.60 -1.70 -0.01 0.00 -0.75 0.00 0.00 64.21 62.35 2wbh n SER 35 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2wbh s ASN 36 N 4.42 0.02 0.64 -3.46 0.01 -1.26 -5.05 114.94 110.25 2wbh s ASN 36 Ca 0.55 -0.98 -0.16 0.00 -0.71 0.00 0.00 52.86 51.56 2wbh s ASN 36 Cb 0.06 0.74 -0.01 0.00 0.41 0.00 0.00 41.25 42.45 2wbh s ASN 36 CO 0.06 -1.44 1.15 -0.94 -1.51 0.00 0.00 177.10 174.42 2wbh s SER 37 N -3.03 5.02 0.35 -1.22 1.04 -1.26 -4.72 113.70 109.88 2wbh s SER 37 Ca 0.17 2.16 0.25 0.00 0.48 0.00 0.00 55.95 59.02 2wbh s SER 37 Cb -0.04 -2.57 1.24 0.00 0.10 0.00 0.00 66.02 64.75 2wbh s SER 37 CO 0.11 -1.69 1.77 0.03 0.98 0.00 0.00 173.24 174.44 2wbh h ARG 38 N 0.28 0.00 0.00 4.02 3.08 -1.97 0.04 114.38 119.84 2wbh h ARG 38 Ca -0.48 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.55 2wbh h ARG 38 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 2wbh h ARG 38 CO 0.54 0.00 -0.49 0.66 -1.07 0.00 0.00 179.97 179.61 2wbh h SER 39 N 0.00 0.00 -0.05 7.04 4.64 -1.98 -3.34 113.55 119.86 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 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2wbh h SER 39 CO 0.00 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 2wbh n GLN 40 N -2.95 0.64 -1.81 4.77 6.02 -0.35 -5.00 117.38 118.70 2wbh n GLN 40 Ca 0.02 -1.10 -0.32 0.00 -0.01 0.00 0.00 57.00 55.58 2wbh n GLN 40 Cb 0.58 -1.12 0.04 0.00 1.02 0.00 0.00 30.24 30.75 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 -0.62 2.61 -0.00 -1.58 0.00 -0.15 -4.62 121.76 117.40 2wbh s ALA 41 Ca 0.08 0.37 -0.24 0.00 0.00 0.00 0.00 51.96 52.17 2wbh s ALA 41 Cb 0.05 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 2wbh s ALA 41 CO 0.08 -1.10 0.72 0.71 0.00 0.00 0.00 175.76 176.17 2wbh s TYR 42 N -2.57 3.67 -0.00 0.00 1.51 -1.26 -4.31 117.35 114.38 2wbh s TYR 42 Ca 0.63 1.36 0.04 0.00 -1.01 0.00 0.00 57.07 58.09 2wbh s TYR 42 Cb -0.17 -2.79 -0.01 0.00 -0.11 0.00 0.00 41.96 38.88 2wbh s TYR 42 CO 0.43 0.21 -0.12 0.21 -1.11 0.00 0.00 175.55 175.17 2wbh s LYS 43 N 0.26 0.96 -0.05 -0.62 2.20 -0.78 -1.50 119.74 120.21 2wbh s LYS 43 Ca 0.37 -0.46 0.03 0.00 -0.36 0.00 0.00 55.97 55.55 2wbh s LYS 43 Cb -0.19 -0.93 0.01 0.00 -1.51 0.00 0.00 37.83 35.21 2wbh s LYS 43 CO 0.20 0.25 -0.11 0.08 -0.36 0.00 0.00 175.35 175.42 2wbh s VAL 44 N -0.35 0.99 0.15 4.02 1.01 -0.61 -1.10 120.40 124.51 2wbh s VAL 44 Ca 0.04 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.64 2wbh s VAL 44 Cb -0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2wbh s VAL 44 CO -0.00 0.31 -0.12 0.42 0.00 0.00 0.00 175.10 175.70 2wbh s THR 45 N 0.42 1.34 -0.13 3.92 -4.23 0.01 -1.44 115.64 115.52 2wbh s THR 45 Ca -0.09 -1.94 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 2wbh s THR 45 Cb -0.12 -1.74 0.04 0.00 1.34 0.00 0.00 72.50 72.01 2wbh s THR 45 CO 0.02 -0.58 0.33 0.00 -0.54 0.00 0.00 174.62 173.85 2wbh s SER 47 N 0.71 -0.02 -0.03 0.00 1.04 -0.61 -2.08 113.70 112.71 2wbh s SER 47 Ca -0.04 -0.85 -0.03 0.00 0.48 0.00 0.00 55.95 55.51 2wbh s SER 47 Cb -0.06 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.55 2wbh s SER 47 CO -0.05 -0.95 0.07 -0.69 0.98 0.00 0.00 173.24 172.60 2wbh s VAL 48 N -3.97 0.00 0.18 5.02 1.01 -1.26 -0.53 120.40 120.85 2wbh s VAL 48 Ca 0.18 -0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 2wbh s VAL 48 Cb 0.02 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.31 2wbh s VAL 48 CO 0.01 -0.00 0.45 0.00 0.00 0.00 0.00 175.10 175.57 2wbh s ARG 49 N 0.03 1.28 -0.50 2.72 1.70 -0.89 -4.98 118.95 118.31 2wbh s ARG 49 Ca -0.00 -0.90 -0.29 0.00 -0.47 0.00 0.00 55.73 54.07 2wbh s ARG 49 Cb -0.01 0.48 0.03 0.00 -0.57 0.00 0.00 34.95 34.89 2wbh s ARG 49 CO 0.00 -0.52 1.18 -1.14 -1.08 0.00 0.00 175.30 173.74 2wbh s GLN 50 N -3.88 3.65 0.08 3.89 0.74 -1.26 -0.58 119.66 122.30 2wbh s GLN 50 Ca 0.10 0.52 -0.07 0.00 0.05 0.00 0.00 55.36 55.95 2wbh s GLN 50 Cb 0.00 -3.95 -0.24 0.00 1.10 0.00 0.00 33.01 29.92 2wbh s GLN 50 CO -0.04 -1.49 1.17 0.66 -0.55 0.00 0.00 175.29 175.04 2wbh h SER 51 N 9.48 0.55 -3.06 6.67 4.64 -1.47 -3.47 113.55 126.89 2wbh h SER 51 Ca -0.24 -0.54 -0.17 0.00 -0.47 0.00 0.00 61.79 60.37 2wbh h SER 51 Cb 1.06 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.93 2wbh h SER 51 CO 1.14 1.39 -0.16 -1.54 -0.87 0.00 0.00 176.83 176.79 2wbh n SER 52 N -3.64 -0.02 0.24 4.97 3.41 -1.11 -4.97 113.62 112.50 2wbh n SER 52 Ca -0.10 -1.77 0.16 0.00 -0.26 0.00 0.00 58.87 56.91 2wbh n SER 52 Cb 0.98 0.55 0.62 0.00 -0.26 0.00 0.00 64.21 66.09 2wbh n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wbh h ALA 53 N 1.35 1.00 -0.00 7.33 0.00 -2.04 -3.15 119.26 123.76 2wbh h ALA 53 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wbh h ALA 53 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2wbh h ALA 53 CO 0.13 0.00 -0.32 0.94 0.00 0.00 0.00 179.25 180.00 2wbh n GLN 54 N -2.91 2.97 -4.08 0.00 -0.06 -1.26 -4.93 117.38 107.10 2wbh n GLN 54 Ca 0.01 -0.31 -0.12 0.00 -2.00 0.00 0.00 57.00 54.58 2wbh n GLN 54 Cb 0.30 -1.01 -0.11 0.00 -4.06 0.00 0.00 30.24 25.36 2wbh n GLN 54 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2wbh s ASN 55 N -1.61 0.87 0.16 1.69 0.01 -1.19 -0.50 114.94 114.36 2wbh s ASN 55 Ca 0.06 -0.64 0.09 0.00 -0.71 0.00 0.00 52.86 51.66 2wbh s ASN 55 Cb 0.08 0.05 -0.04 0.00 0.41 0.00 0.00 41.25 41.75 2wbh s ASN 55 CO 0.32 -0.26 -0.14 -0.13 -1.51 0.00 0.00 177.10 175.37 2wbh s ARG 56 N -2.02 1.90 -0.07 -0.60 0.52 -0.27 -1.27 118.95 117.15 2wbh s ARG 56 Ca -0.06 -1.26 0.04 0.00 -0.52 0.00 0.00 55.73 53.93 2wbh s ARG 56 Cb -0.07 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.29 2wbh s ARG 56 CO -0.01 0.45 -0.19 0.15 0.02 0.00 0.00 175.30 175.73 2wbh s LYS 57 N -2.55 2.20 -0.11 3.54 1.02 0.25 -1.12 119.74 122.96 2wbh s LYS 57 Ca 0.22 -0.66 -0.18 0.00 0.02 0.00 0.00 55.97 55.36 2wbh s LYS 57 Cb -0.09 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 2wbh s LYS 57 CO 0.13 0.18 0.49 0.71 -0.92 0.00 0.00 175.35 175.93 2wbh s TYR 58 N 0.28 3.52 -0.21 3.18 1.51 0.43 -2.10 117.35 123.96 2wbh s TYR 58 Ca -0.11 0.91 -0.04 0.00 -1.01 0.00 0.00 57.07 56.82 2wbh s TYR 58 Cb -0.15 -2.56 -0.01 0.00 -0.11 0.00 0.00 41.96 39.13 2wbh s TYR 58 CO 0.05 0.18 -0.04 0.99 -1.11 0.00 0.00 175.55 175.61 2wbh s THR 59 N 0.59 3.51 -0.10 -0.71 2.01 0.32 -1.45 115.64 119.80 2wbh s THR 59 Ca 0.26 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.84 2wbh s THR 59 Cb -0.15 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.78 2wbh s THR 59 CO 0.11 0.43 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.63 2wbh s ILE 60 N 1.24 1.89 0.02 1.82 1.01 -0.09 -1.58 121.20 125.51 2wbh s ILE 60 Ca 0.03 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 59.83 2wbh s ILE 60 Cb -0.14 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 2wbh s ILE 60 CO -0.01 0.52 -0.19 -0.54 0.00 0.00 0.00 174.94 174.72 2wbh s LYS 61 N 0.53 1.37 0.01 2.79 1.02 -0.58 -0.54 119.74 124.34 2wbh s LYS 61 Ca -0.15 -0.80 0.04 0.00 0.02 0.00 0.00 55.97 55.08 2wbh s LYS 61 Cb -0.17 -1.40 -0.01 0.00 -0.52 0.00 0.00 37.83 35.73 2wbh s LYS 61 CO 0.05 0.37 -0.12 0.08 -0.92 0.00 0.00 175.35 174.81 2wbh s VAL 62 N -0.65 0.95 -0.06 3.17 1.01 -0.23 -0.81 120.40 123.78 2wbh s VAL 62 Ca 0.07 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.40 2wbh s VAL 62 Cb -0.08 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 2wbh s VAL 62 CO 0.01 0.14 -0.21 -1.61 0.00 0.00 0.00 175.10 173.42 2wbh s GLU 63 N -0.63 2.34 -0.08 2.72 2.02 -0.26 -0.59 118.70 124.22 2wbh s GLU 63 Ca 0.03 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.28 2wbh s GLU 63 Cb -0.06 -1.94 0.01 0.00 0.10 0.00 0.00 34.13 32.24 2wbh s GLU 63 CO 0.00 0.26 -0.17 0.08 0.02 0.00 0.00 175.26 175.46 2wbh s VAL 64 N 0.08 1.49 0.38 2.63 1.01 -0.70 -1.87 120.40 123.42 2wbh s VAL 64 Ca -0.08 -0.69 -0.26 0.00 0.00 0.00 0.00 61.98 60.96 2wbh s VAL 64 Cb -0.14 -1.32 -0.09 0.00 0.00 0.00 0.00 36.38 34.83 2wbh s VAL 64 CO 0.04 0.43 1.12 -2.16 0.00 0.00 0.00 175.10 174.54 2wbh s PRO 65 N 0.53 4.19 -0.12 2.72 0.04 -1.26 -1.50 135.00 139.59 2wbh s PRO 65 Ca -0.16 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 2wbh s PRO 65 Cb -0.17 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 2wbh s PRO 65 CO 0.06 -0.18 1.19 0.21 0.04 0.00 0.00 177.00 178.32 2wbh s LYS 66 N -2.21 4.30 -0.20 4.56 2.20 -0.12 -4.89 119.74 123.39 2wbh s LYS 66 Ca 0.55 1.60 0.12 0.00 -0.36 0.00 0.00 55.97 57.89 2wbh s LYS 66 Cb -0.28 -3.65 -0.21 0.00 -1.51 0.00 0.00 37.83 32.18 2wbh s LYS 66 CO 0.36 -0.56 -0.02 0.28 -0.36 0.00 0.00 175.35 175.05 2wbh n VAL 67 N 4.99 1.33 -1.72 4.02 0.31 -1.26 -4.64 118.33 121.36 2wbh n VAL 67 Ca 0.12 -0.73 -0.42 0.00 -0.01 0.00 0.00 64.34 63.30 2wbh n VAL 67 Cb 0.46 -0.75 -0.03 0.00 -0.91 0.00 0.00 33.84 32.61 2wbh n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wbh s ALA 68 N -2.47 3.78 -1.12 3.52 0.00 -1.26 -1.20 121.76 123.01 2wbh s ALA 68 Ca -0.16 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2wbh s ALA 68 Cb 0.06 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2wbh s ALA 68 CO 0.71 -1.19 0.00 0.25 0.00 0.00 0.00 175.76 175.53 2wbh n THR 69 N 4.66 0.00 -1.74 0.00 -2.24 -1.26 -5.02 114.28 108.68 2wbh n THR 69 Ca 0.17 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.57 2wbh n THR 69 Cb 0.38 -1.29 0.04 0.00 -2.10 0.00 0.00 70.33 67.36 2wbh n THR 69 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2wbh n GLN 70 N -2.10 1.72 -3.87 -0.78 7.27 -0.34 -5.01 117.38 114.28 2wbh n GLN 70 Ca -0.11 0.63 -0.36 0.00 0.07 0.00 0.00 57.00 57.24 2wbh n GLN 70 Cb 0.42 -2.56 -0.13 0.00 2.41 0.00 0.00 30.24 30.38 2wbh n GLN 70 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2wbh s THR 71 N -1.28 3.25 -0.04 1.69 2.01 -1.26 -5.06 115.64 114.95 2wbh s THR 71 Ca 0.70 -1.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 2wbh s THR 71 Cb -0.42 -2.79 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 2wbh s THR 71 CO 0.50 -0.03 1.65 -0.69 -0.69 0.00 0.00 174.62 175.36 2wbh s VAL 72 N 1.33 3.53 0.00 3.82 1.01 -1.26 -0.67 120.40 128.17 2wbh s VAL 72 Ca -0.02 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2wbh s VAL 72 Cb -0.19 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2wbh s VAL 72 CO -0.01 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.65 2wbh n GLY 73 N 4.11 0.85 3.88 4.51 0.00 -1.26 -5.03 105.19 112.26 2wbh n GLY 73 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2wbh n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wbh s GLY 74 N -1.74 1.62 -0.46 -0.02 0.00 0.16 -5.00 107.32 101.87 2wbh s GLY 74 Ca 0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 44.72 44.08 2wbh s GLY 74 CO 0.00 -0.01 0.69 0.14 0.00 0.00 0.00 173.10 173.92 2wbh s VAL 75 N -3.41 4.77 -0.28 1.40 1.01 -1.26 -4.97 120.40 117.66 2wbh s VAL 75 Ca 0.60 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.63 2wbh s VAL 75 Cb -0.11 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.01 2wbh s VAL 75 CO 0.51 -0.69 0.04 -1.61 0.00 0.00 0.00 175.10 173.35 2wbh s GLU 76 N 2.97 3.06 0.19 2.72 2.02 -1.26 -5.09 118.70 123.30 2wbh s GLU 76 Ca 0.24 -0.86 0.10 0.00 0.02 0.00 0.00 54.97 54.46 2wbh s GLU 76 Cb -0.14 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 2wbh s GLU 76 CO 0.19 -0.41 -0.20 -0.51 0.02 0.00 0.00 175.26 174.35 2wbh s LEU 77 N 1.46 2.45 0.46 1.80 2.01 -1.26 -4.13 118.68 121.47 2wbh s LEU 77 Ca 0.02 -0.88 -0.23 0.00 0.01 0.00 0.00 54.13 53.05 2wbh s LEU 77 Cb -0.17 -0.96 -0.07 0.00 0.01 0.00 0.00 46.19 45.00 2wbh s LEU 77 CO 0.00 0.02 1.16 -2.16 1.01 0.00 0.00 176.35 176.39 2wbh s PRO 78 N -2.85 3.75 0.37 1.29 0.04 -1.26 -4.97 135.00 131.37 2wbh s PRO 78 Ca 0.19 1.76 0.10 0.00 0.04 0.00 0.00 61.00 63.10 2wbh s PRO 78 Cb -0.06 -2.40 0.87 0.00 0.04 0.00 0.00 34.50 32.95 2wbh s PRO 78 CO 0.08 -0.55 1.86 0.28 0.04 0.00 0.00 177.00 178.71 2wbh h VAL 79 N 1.86 0.80 0.00 -0.36 2.07 -2.00 -0.02 116.25 118.60 2wbh h VAL 79 Ca -0.49 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2wbh h VAL 79 Cb 1.25 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2wbh h VAL 79 CO 0.60 0.12 0.00 0.00 0.02 0.00 0.00 177.57 178.31 2wbh n ALA 80 N -2.44 1.79 0.87 1.67 0.00 -1.26 -1.19 120.51 119.94 2wbh n ALA 80 Ca 0.18 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.80 2wbh n ALA 80 Cb 0.52 -1.40 0.37 0.00 0.00 0.00 0.00 19.45 18.94 2wbh n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wbh n ALA 81 N -1.76 2.90 -0.09 0.00 0.00 -0.02 -4.08 120.51 117.46 2wbh n ALA 81 Ca 0.03 -0.21 0.02 0.00 0.00 0.00 0.00 53.44 53.27 2wbh n ALA 81 Cb 0.27 -1.28 0.05 0.00 0.00 0.00 0.00 19.45 18.49 2wbh n ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2wbh n TRP 82 N -1.71 0.15 -3.87 0.00 7.02 -0.33 -4.90 117.44 113.79 2wbh n TRP 82 Ca 0.06 -0.52 -0.12 0.00 -1.02 0.00 0.00 57.50 55.90 2wbh n TRP 82 Cb 0.37 -0.05 -0.14 0.00 -2.42 0.00 0.00 31.31 29.07 2wbh n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2wbh s ARG 83 N -1.07 0.04 0.06 -0.99 0.52 -1.15 -0.94 118.95 115.42 2wbh s ARG 83 Ca 0.08 -0.01 0.04 0.00 -0.52 0.00 0.00 55.73 55.33 2wbh s ARG 83 Cb 0.05 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.49 2wbh s ARG 83 CO 0.05 -0.01 -0.03 -1.12 0.02 0.00 0.00 175.30 174.21 2wbh s SER 84 N -0.06 4.85 -0.10 0.23 0.01 -0.56 -4.92 113.70 113.14 2wbh s SER 84 Ca -0.01 -0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2wbh s SER 84 Cb -0.01 -1.14 0.02 0.00 0.21 0.00 0.00 66.02 65.10 2wbh s SER 84 CO -0.00 0.22 -0.14 -0.31 0.41 0.00 0.00 173.24 173.42 2wbh s TYR 85 N -1.18 1.81 0.00 2.43 2.02 -1.26 -1.71 117.35 119.45 2wbh s TYR 85 Ca 0.22 -0.82 0.04 0.00 -0.37 0.00 0.00 57.07 56.14 2wbh s TYR 85 Cb -0.11 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 2wbh s TYR 85 CO 0.14 -0.44 -0.09 -1.17 -1.57 0.00 0.00 175.55 172.42 2wbh s LEU 86 N 0.99 3.06 -0.20 -1.29 2.96 0.24 -4.98 118.68 119.46 2wbh s LEU 86 Ca -0.07 -0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2wbh s LEU 86 Cb -0.15 -1.75 0.08 0.00 0.50 0.00 0.00 46.19 44.87 2wbh s LEU 86 CO -0.01 0.29 0.15 0.21 -1.32 0.00 0.00 176.35 175.67 2wbh s ASN 87 N -1.34 2.06 -0.05 3.68 3.84 -1.26 -1.07 114.94 120.80 2wbh s ASN 87 Ca 0.16 -0.53 0.06 0.00 0.21 0.00 0.00 52.86 52.75 2wbh s ASN 87 Cb -0.11 0.02 -0.02 0.00 -0.55 0.00 0.00 41.25 40.59 2wbh s ASN 87 CO 0.06 -0.35 -0.22 -0.04 -2.79 0.00 0.00 177.10 173.76 2wbh s MET 88 N 2.22 2.43 -0.11 0.43 -1.94 0.30 -5.00 119.30 117.63 2wbh s MET 88 Ca 0.05 -0.85 0.02 0.00 -1.71 0.00 0.00 55.69 53.20 2wbh s MET 88 Cb -0.16 -2.20 0.01 0.00 2.01 0.00 0.00 34.83 34.49 2wbh s MET 88 CO -0.14 0.50 -0.16 -1.21 -0.01 0.00 0.00 175.02 174.00 2wbh s GLU 89 N -0.44 2.32 -0.21 2.03 2.02 -1.26 -0.91 118.70 122.24 2wbh s GLU 89 Ca 0.05 -0.60 -0.00 0.00 0.02 0.00 0.00 54.97 54.43 2wbh s GLU 89 Cb -0.12 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.19 2wbh s GLU 89 CO 0.01 -0.04 -0.12 -1.17 0.02 0.00 0.00 175.26 173.96 2wbh s LEU 90 N 0.93 2.70 -0.25 1.80 2.96 -0.53 -4.96 118.68 121.33 2wbh s LEU 90 Ca -0.08 -0.73 -0.08 0.00 -0.22 0.00 0.00 54.13 53.02 2wbh s LEU 90 Cb -0.15 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2wbh s LEU 90 CO -0.01 -0.06 0.10 -0.89 -1.32 0.00 0.00 176.35 174.17 2wbh s THR 91 N 1.32 4.63 -0.11 3.68 2.01 -1.26 -0.43 115.64 125.48 2wbh s THR 91 Ca 0.02 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 61.98 2wbh s THR 91 Cb -0.15 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.21 2wbh s THR 91 CO -0.08 0.34 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.40 2wbh s ILE 92 N 1.45 1.55 0.51 1.82 1.01 -0.28 -4.96 121.20 122.30 2wbh s ILE 92 Ca 0.06 -0.67 -0.23 0.00 0.00 0.00 0.00 60.65 59.81 2wbh s ILE 92 Cb -0.15 -1.41 -0.07 0.00 0.01 0.00 0.00 42.46 40.84 2wbh s ILE 92 CO 0.05 0.45 1.25 -2.65 0.00 0.00 0.00 174.94 174.04 2wbh n PRO 93 N 4.19 1.64 0.08 2.79 -0.02 -1.26 -1.12 135.00 141.31 2wbh n PRO 93 Ca -0.19 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 61.96 2wbh n PRO 93 Cb 0.51 -2.43 0.34 0.00 -0.02 0.00 0.00 33.50 31.90 2wbh n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2wbh n ILE 94 N -0.83 1.36 0.94 4.25 -5.35 0.34 -1.54 119.36 118.54 2wbh n ILE 94 Ca 0.09 0.55 0.14 0.00 -0.27 0.00 0.00 62.75 63.26 2wbh n ILE 94 Cb 0.43 -1.52 0.56 0.00 -1.74 0.00 0.00 39.64 37.37 2wbh n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2wbh n PHE 95 N -1.91 0.13 -2.18 4.28 3.72 -1.26 -4.87 117.46 115.38 2wbh n PHE 95 Ca -0.00 0.04 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 2wbh n PHE 95 Cb 0.06 -0.54 -0.03 0.00 -0.94 0.00 0.00 39.48 38.02 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 -3.02 3.60 1.07 4.37 0.00 -0.59 -4.99 121.76 122.20 2wbh s ALA 96 Ca 0.13 0.93 -0.15 0.00 0.00 0.00 0.00 51.96 52.87 2wbh s ALA 96 Cb 0.18 -3.61 0.21 0.00 0.00 0.00 0.00 23.12 19.91 2wbh s ALA 96 CO 0.55 -0.93 1.08 0.25 0.00 0.00 0.00 175.76 176.72 2wbh n THR 97 N 4.64 0.00 -0.15 0.00 -2.24 -1.26 -4.83 114.28 110.44 2wbh n THR 97 Ca 0.13 -0.71 -0.07 0.00 -2.27 0.00 0.00 64.05 61.14 2wbh n THR 97 Cb 0.43 -1.46 0.09 0.00 -2.10 0.00 0.00 70.33 67.28 2wbh n THR 97 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2wbh h ASN 98 N -1.81 0.89 -0.67 3.42 2.35 -1.99 -0.89 115.58 116.89 2wbh h ASN 98 Ca -0.36 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.12 2wbh h ASN 98 Cb 1.03 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 2wbh h ASN 98 CO 0.25 0.99 0.41 0.28 -1.65 0.00 0.00 177.43 177.71 2wbh h SER 99 N 0.83 0.81 -0.27 5.81 0.02 -1.99 0.23 113.55 118.99 2wbh h SER 99 Ca 0.14 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2wbh h SER 99 Cb 0.57 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 2wbh h SER 99 CO 0.03 0.63 0.08 0.44 -1.14 0.00 0.00 176.83 176.88 2wbh h ASP 100 N 0.92 0.07 0.11 3.07 3.32 -1.78 -1.84 116.42 120.28 2wbh h ASP 100 Ca 0.24 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 2wbh h ASP 100 Cb -0.03 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2wbh h ASP 100 CO -0.05 0.07 -0.16 0.00 -1.72 0.00 0.00 179.24 177.38 2wbh h GLU 102 N 0.11 1.14 -0.38 0.00 5.08 0.15 -1.21 114.58 119.47 2wbh h GLU 102 Ca 0.02 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 2wbh h GLU 102 Cb 0.36 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2wbh h GLU 102 CO 0.02 0.79 -0.27 1.25 -1.00 0.00 0.00 179.01 179.81 2wbh h LEU 103 N 1.16 0.83 -0.92 1.33 5.85 -0.46 -1.00 115.31 122.10 2wbh h LEU 103 Ca 0.30 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2wbh h LEU 103 Cb -0.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 2wbh h LEU 103 CO -0.06 1.05 0.33 0.40 -0.34 0.00 0.00 178.44 179.82 2wbh h ILE 104 N 0.69 1.25 -0.58 4.05 2.04 -0.79 0.77 117.51 124.94 2wbh h ILE 104 Ca 0.08 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 2wbh h ILE 104 Cb 0.81 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2wbh h ILE 104 CO 0.07 0.31 0.07 0.58 0.00 0.00 0.00 178.15 179.18 2wbh h VAL 105 N 1.09 1.26 -0.49 1.67 2.07 -0.78 -0.90 116.25 120.17 2wbh h VAL 105 Ca 0.26 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 2wbh h VAL 105 Cb 0.17 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2wbh h VAL 105 CO -0.03 0.37 -0.04 0.11 0.02 0.00 0.00 177.57 178.01 2wbh h LYS 106 N 0.88 0.83 -0.74 1.57 1.57 -0.48 0.06 116.57 120.26 2wbh h LYS 106 Ca 0.17 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2wbh h LYS 106 Cb 0.45 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 2wbh h LYS 106 CO 0.02 0.86 0.38 0.00 -0.57 0.00 0.00 179.45 180.14 2wbh h ALA 107 N 1.19 0.96 -0.62 3.86 0.00 -0.44 0.44 119.26 124.64 2wbh h ALA 107 Ca 0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2wbh h ALA 107 Cb 0.52 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2wbh h ALA 107 CO 0.03 0.50 0.12 0.52 0.00 0.00 0.00 179.25 180.41 2wbh h MET 108 N 1.04 1.01 0.00 0.00 2.86 -0.40 -1.62 114.93 117.81 2wbh h MET 108 Ca 0.26 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wbh h MET 108 Cb 0.08 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2wbh h MET 108 CO -0.04 0.94 0.00 -0.56 1.06 0.00 0.00 176.91 178.31 2wbh h GLN 109 N 0.92 0.00 -0.26 1.72 3.07 -0.55 -3.09 115.11 116.92 2wbh h GLN 109 Ca 0.19 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.83 2wbh h GLN 109 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.96 2wbh h GLN 109 CO 0.01 0.00 -0.24 0.78 0.09 0.00 0.00 178.83 179.46 2wbh h GLY 110 N 3.90 0.68 -0.08 0.06 0.00 -0.49 -2.11 103.07 105.02 2wbh h GLY 110 Ca 0.00 -0.69 0.24 0.00 0.00 0.00 0.00 47.33 46.88 2wbh h GLY 110 CO 0.00 0.62 0.62 -2.00 0.00 0.00 0.00 176.54 175.78 2wbh h LEU 111 N 0.35 0.64 -2.22 3.11 5.85 -1.23 -1.98 115.31 119.83 2wbh h LEU 111 Ca 0.04 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2wbh h LEU 111 Cb 0.80 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2wbh h LEU 111 CO 0.06 0.14 0.00 0.18 -0.34 0.00 0.00 178.44 178.48 2wbh n LEU 112 N -4.79 3.06 -4.72 2.25 4.77 -1.14 -4.36 117.00 112.06 2wbh n LEU 112 Ca 0.26 -1.45 -0.39 0.00 -0.03 0.00 0.00 56.01 54.40 2wbh n LEU 112 Cb 0.74 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.69 2wbh n LEU 112 CO 0.20 0.65 0.92 1.17 -1.33 0.00 0.00 177.39 179.00 2wbh n LYS 113 N 1.16 1.62 -1.75 3.23 4.81 -0.75 -4.80 118.16 121.69 2wbh n LYS 113 Ca 0.15 0.60 -0.41 0.00 -0.87 0.00 0.00 58.31 57.78 2wbh n LYS 113 Cb 0.52 -2.50 0.01 0.00 0.02 0.00 0.00 35.03 33.07 2wbh n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wbh n ASP 114 N -0.84 3.27 0.00 3.14 9.92 -1.26 -1.75 116.55 129.03 2wbh n ASP 114 Ca 0.10 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.53 2wbh n ASP 114 Cb 0.44 -1.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.35 2wbh n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wbh n GLY 115 N 0.60 2.92 3.80 0.44 0.00 -1.26 -5.04 105.19 106.64 2wbh n GLY 115 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 0.47 5.93 0.20 1.61 0.01 -0.72 -4.83 114.94 117.60 2wbh s ASN 116 Ca 0.00 1.89 -0.11 0.00 -0.71 0.00 0.00 52.86 53.93 2wbh s ASN 116 Cb 0.00 -2.55 0.24 0.00 0.41 0.00 0.00 41.25 39.35 2wbh s ASN 116 CO 0.00 -1.07 1.75 1.55 -1.51 0.00 0.00 177.10 177.82 2wbh h PRO 117 N 0.83 0.38 0.24 -0.60 0.13 -1.88 -2.73 132.00 128.37 2wbh h PRO 117 Ca -0.48 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2wbh h PRO 117 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2wbh h PRO 117 CO 0.58 0.25 -0.12 0.82 -0.23 0.00 0.00 178.00 179.30 2wbh h ILE 118 N 0.39 0.78 -0.22 -3.56 1.08 -1.92 0.86 117.51 114.92 2wbh h ILE 118 Ca 0.28 -0.08 -0.06 0.00 -0.39 0.00 0.00 64.86 64.61 2wbh h ILE 118 Cb 0.33 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 2wbh h ILE 118 CO -0.28 0.02 -0.11 1.55 -0.69 0.00 0.00 178.15 178.63 2wbh h PRO 119 N -0.36 0.35 0.00 2.37 0.13 -1.74 -1.96 132.00 130.78 2wbh h PRO 119 Ca -0.03 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2wbh h PRO 119 Cb 0.28 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.36 2wbh h PRO 119 CO 0.05 0.47 -0.08 -1.13 -0.23 0.00 0.00 178.00 177.09 2wbh n SER 120 N -4.25 0.80 -0.01 1.44 3.41 -0.98 -1.45 113.62 112.59 2wbh n SER 120 Ca -0.00 0.52 -0.16 0.00 -0.26 0.00 0.00 58.87 58.96 2wbh n SER 120 Cb 0.28 -0.68 -0.11 0.00 -0.26 0.00 0.00 64.21 63.44 2wbh n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wbh h ALA 121 N 2.52 0.05 -0.14 7.33 0.00 -0.09 -3.04 119.26 125.88 2wbh h ALA 121 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.40 2wbh h ALA 121 Cb 0.74 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2wbh h ALA 121 CO 0.00 0.22 0.05 0.82 0.00 0.00 0.00 179.25 180.34 2wbh h ILE 122 N -0.33 0.97 0.00 0.00 2.04 -1.27 0.72 117.51 119.65 2wbh h ILE 122 Ca -0.05 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2wbh h ILE 122 Cb 1.17 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2wbh h ILE 122 CO 0.08 0.02 -0.05 0.00 0.00 0.00 0.00 178.15 178.21 2wbh h ALA 123 N 1.08 1.04 -0.64 1.87 0.00 -1.36 -1.20 119.26 120.06 2wbh h ALA 123 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wbh h ALA 123 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wbh h ALA 123 CO -0.06 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2wbh n ALA 124 N -2.13 2.86 -3.46 0.00 0.00 -0.46 -4.93 120.51 112.39 2wbh n ALA 124 Ca -0.00 -1.53 -0.22 0.00 0.00 0.00 0.00 53.44 51.68 2wbh n ALA 124 Cb 0.27 -0.94 0.07 0.00 0.00 0.00 0.00 19.45 18.85 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 1.15 -6.10 -4.41 0.00 3.02 -0.45 -4.97 115.26 103.51 2wbh n ASN 125 Ca 0.25 -0.48 -0.21 0.00 -0.03 0.00 0.00 54.58 54.11 2wbh n ASN 125 Cb 0.80 -4.75 -0.10 0.00 -0.61 0.00 0.00 39.78 35.12 2wbh n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2wbh s SER 126 N -3.23 2.26 0.00 6.41 0.01 0.12 -5.02 113.70 114.25 2wbh s SER 126 Ca 0.52 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2wbh s SER 126 Cb -0.23 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.01 2wbh s SER 126 CO 0.64 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 174.25 2wbh n GLY 127 N -0.68 2.05 3.86 3.44 0.00 -1.26 -4.31 105.19 108.29 2wbh n GLY 127 Ca -0.02 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.59 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 1.83 5.13 0.00 -0.61 -1.09 -1.26 -4.83 121.20 120.37 2wbh s ILE 128 Ca 0.00 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.91 2wbh s ILE 128 Cb 0.00 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 2wbh s ILE 128 CO 0.00 0.38 0.00 0.00 -1.23 0.00 0.00 174.94 174.09