#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whb s SER 2 N 0.00 3.19 -0.00 1.61 0.15 -1.26 -4.93 113.70 112.45 1whb s SER 2 Ca 0.00 -2.40 -0.00 0.00 0.70 0.00 0.00 55.95 54.25 1whb s SER 2 Cb 0.00 -0.65 -0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1whb s SER 2 CO 0.00 -0.29 -0.00 -1.20 1.20 0.00 0.00 173.24 172.95 1whb n SER 3 N 3.79 0.42 -3.22 5.45 7.64 -1.26 -5.06 113.62 121.38 1whb n SER 3 Ca 0.11 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.03 1whb n SER 3 Cb 0.36 -0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.54 1whb n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1whb s GLY 4 N -4.90 -0.82 -0.57 0.23 0.00 -1.26 -5.03 107.32 94.98 1whb s GLY 4 Ca -0.00 2.12 -0.01 0.00 0.00 0.00 0.00 44.72 46.83 1whb s GLY 4 CO 0.00 3.41 2.01 -1.14 0.00 0.00 0.00 173.10 177.39 1whb n SER 5 N 5.42 7.08 -0.10 1.64 3.41 -1.26 -4.27 113.62 125.54 1whb n SER 5 Ca -0.04 -3.59 -0.12 0.00 -0.26 0.00 0.00 58.87 54.86 1whb n SER 5 Cb 0.51 -0.98 -0.14 0.00 -0.26 0.00 0.00 64.21 63.34 1whb n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1whb n SER 6 N -0.64 0.90 0.00 4.04 3.41 -1.26 -5.02 113.62 115.05 1whb n SER 6 Ca 0.55 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1whb n SER 6 Cb 0.72 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 1whb n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whb n GLY 7 N 2.00 2.06 3.07 5.00 0.00 -1.26 -5.13 105.19 110.93 1whb n GLY 7 Ca -0.35 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.37 1whb n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1whb s LYS 8 N 1.06 0.48 0.13 1.61 2.20 -1.26 -5.10 119.74 118.85 1whb s LYS 8 Ca 0.00 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 1whb s LYS 8 Cb 0.00 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1whb s LYS 8 CO 0.00 -0.76 0.00 0.00 -0.36 0.00 0.00 175.35 174.23 1whb h GLU 10 N 4.06 0.10 -3.35 0.00 4.81 -1.99 -3.48 114.58 114.73 1whb h GLU 10 Ca 0.00 -0.01 0.33 0.00 -0.13 0.00 0.00 59.36 59.56 1whb h GLU 10 Cb 0.00 -0.02 -0.18 0.00 0.63 0.00 0.00 28.75 29.18 1whb h GLU 10 CO 0.00 0.07 -1.21 2.41 -0.73 0.00 0.00 179.01 179.55 1whb n THR 11 N -4.52 -0.86 -2.95 0.32 -1.04 -1.26 -4.82 114.28 99.14 1whb n THR 11 Ca -0.02 0.89 -0.40 0.00 -2.04 0.00 0.00 64.05 62.49 1whb n THR 11 Cb 0.10 -1.36 -0.05 0.00 -1.82 0.00 0.00 70.33 67.20 1whb n THR 11 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1whb s LYS 12 N -4.19 4.55 0.74 -2.82 -2.85 -1.26 -5.05 119.74 108.86 1whb s LYS 12 Ca 0.00 1.15 -0.11 0.00 -1.00 0.00 0.00 55.97 56.01 1whb s LYS 12 Cb 0.00 -3.32 0.04 0.00 -2.06 0.00 0.00 37.83 32.48 1whb s LYS 12 CO 0.00 0.40 1.08 -1.21 0.10 0.00 0.00 175.35 175.71 1whb s GLU 13 N -0.51 2.54 0.00 1.78 8.01 -1.26 -4.97 118.70 124.29 1whb s GLU 13 Ca 0.38 1.09 0.00 0.00 0.01 0.00 0.00 54.97 56.45 1whb s GLU 13 Cb -0.22 -1.94 0.00 0.00 -4.31 0.00 0.00 34.13 27.67 1whb s GLU 13 CO 0.25 -1.42 0.00 1.63 0.01 0.00 0.00 175.26 175.73 1whb n LYS 14 N -3.35 0.00 -0.68 1.61 5.02 -1.26 -4.94 118.16 114.56 1whb n LYS 14 Ca 0.08 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.43 1whb n LYS 14 Cb 0.53 -0.05 0.16 0.00 -0.02 0.00 0.00 35.03 35.64 1whb n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1whb n GLY 15 N 0.38 4.15 3.05 0.72 0.00 -1.26 -5.05 105.19 107.18 1whb n GLY 15 Ca 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 1whb n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1whb s ALA 16 N -2.45 0.38 0.10 4.61 0.00 -1.26 -4.20 121.76 118.93 1whb s ALA 16 Ca 0.35 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.41 1whb s ALA 16 Cb 0.34 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 1whb s ALA 16 CO -0.07 -0.27 -0.17 -1.50 0.00 0.00 0.00 175.76 173.75 1whb s ILE 17 N -2.86 1.40 0.38 0.00 2.07 -0.79 -4.89 121.20 116.51 1whb s ILE 17 Ca -0.02 -1.49 0.08 0.00 -1.41 0.00 0.00 60.65 57.80 1whb s ILE 17 Cb 0.00 -1.36 -0.02 0.00 0.13 0.00 0.00 42.46 41.21 1whb s ILE 17 CO -0.06 -0.20 0.36 0.42 -1.91 0.00 0.00 174.94 173.55 1whb s THR 18 N -1.41 3.15 0.44 4.00 -4.23 -1.26 0.17 115.64 116.50 1whb s THR 18 Ca 0.04 -1.31 0.10 0.00 -1.18 0.00 0.00 61.69 59.34 1whb s THR 18 Cb -0.09 -3.10 0.24 0.00 1.34 0.00 0.00 72.50 70.89 1whb s THR 18 CO 0.03 -0.09 2.06 0.00 -0.54 0.00 0.00 174.62 176.08 1whb h ALA 19 N 1.09 1.75 -0.10 3.99 0.00 -1.96 -1.96 119.26 122.07 1whb h ALA 19 Ca -0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1whb h ALA 19 Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1whb h ALA 19 CO 0.57 0.21 0.01 -0.22 0.00 0.00 0.00 179.25 179.81 1whb h LYS 20 N 0.32 0.17 -0.18 0.00 3.11 -1.99 -1.58 116.57 116.41 1whb h LYS 20 Ca 0.08 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 57.84 1whb h LYS 20 Cb 0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 1whb h LYS 20 CO -0.01 0.40 -0.06 0.93 -2.81 0.00 0.00 179.45 177.90 1whb h GLU 21 N -0.09 0.27 -0.24 1.90 5.08 -1.87 -0.83 114.58 118.80 1whb h GLU 21 Ca 0.03 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1whb h GLU 21 Cb 0.32 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1whb h GLU 21 CO 0.00 0.35 -0.20 1.25 -1.00 0.00 0.00 179.01 179.41 1whb h LEU 22 N 0.27 0.59 -0.62 1.33 5.85 -1.18 -2.35 115.31 119.21 1whb h LEU 22 Ca 0.06 -0.46 -0.12 0.00 0.84 0.00 0.00 57.88 58.20 1whb h LEU 22 Cb 0.28 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1whb h LEU 22 CO 0.01 0.93 -0.25 0.22 -0.34 0.00 0.00 178.44 179.01 1whb h TYR 23 N 0.27 0.93 -0.03 1.25 3.20 -0.97 0.65 116.97 122.27 1whb h TYR 23 Ca 0.04 -0.23 -0.06 0.00 3.14 0.00 0.00 58.73 61.63 1whb h TYR 23 Cb 0.75 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1whb h TYR 23 CO 0.07 0.98 -0.26 1.15 -1.64 0.00 0.00 178.16 178.46 1whb h THR 24 N 0.70 1.20 0.04 1.81 2.02 -1.14 -2.36 112.91 115.18 1whb h THR 24 Ca 0.09 -0.94 -0.34 0.00 0.77 0.00 0.00 66.41 65.99 1whb h THR 24 Cb 0.79 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 1whb h THR 24 CO 0.06 0.27 -1.97 0.23 0.37 0.00 0.00 175.52 174.49 1whb n MET 25 N -4.21 0.68 0.31 6.66 2.81 -0.89 -3.58 117.12 118.90 1whb n MET 25 Ca -0.02 0.23 -0.12 0.00 -1.81 0.00 0.00 57.70 55.98 1whb n MET 25 Cb 0.32 -1.70 -0.06 0.00 -0.71 0.00 0.00 33.22 31.07 1whb n MET 25 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1whb h MET 26 N 0.02 -0.75 -0.04 0.03 2.07 0.43 -2.82 114.93 113.87 1whb h MET 26 Ca -0.40 0.05 0.01 0.00 -2.07 0.00 0.00 59.70 57.30 1whb h MET 26 Cb 2.04 0.17 -0.00 0.00 -1.87 0.00 0.00 31.60 31.94 1whb h MET 26 CO 0.06 -0.50 0.04 1.79 1.07 0.00 0.00 176.91 179.37 1whb h THR 27 N -0.78 0.61 -2.89 2.22 1.35 -1.65 -3.43 112.91 108.33 1whb h THR 27 Ca -0.08 0.00 -0.57 0.00 -0.55 0.00 0.00 66.41 65.21 1whb h THR 27 Cb 0.60 0.96 0.08 0.00 -1.73 0.00 0.00 68.15 68.07 1whb h THR 27 CO 0.13 0.00 0.69 -0.67 -0.25 0.00 0.00 175.52 175.42 1whb n ASP 28 N -3.98 3.10 -2.06 5.36 -0.08 -1.06 -4.89 116.55 112.94 1whb n ASP 28 Ca -0.02 1.15 -0.22 0.00 -1.51 0.00 0.00 54.79 54.18 1whb n ASP 28 Cb 0.14 -1.48 0.16 0.00 2.34 0.00 0.00 41.12 42.28 1whb n ASP 28 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1whb n LYS 29 N 2.00 2.27 0.00 -0.67 5.02 -1.26 -4.40 118.16 121.13 1whb n LYS 29 Ca 0.10 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.28 1whb n LYS 29 Cb 0.33 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1whb n LYS 29 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1whb n ASN 30 N -1.10 0.68 -4.35 4.39 3.02 -1.26 -5.02 115.26 111.62 1whb n ASN 30 Ca 0.56 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.71 1whb n ASN 30 Cb 1.40 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 40.46 1whb n ASN 30 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1whb s ILE 31 N -1.78 4.30 1.20 2.41 1.01 -1.26 -5.09 121.20 121.98 1whb s ILE 31 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 1whb s ILE 31 Cb 0.00 -3.39 0.28 0.00 0.01 0.00 0.00 42.46 39.36 1whb s ILE 31 CO 0.00 -0.19 1.04 -0.44 0.00 0.00 0.00 174.94 175.35 1whb s SER 32 N 1.51 0.85 -0.26 3.58 0.01 -1.26 -4.69 113.70 113.44 1whb s SER 32 Ca 0.01 1.06 -0.28 0.00 1.31 0.00 0.00 55.95 58.05 1whb s SER 32 Cb -0.19 -1.60 0.17 0.00 0.21 0.00 0.00 66.02 64.61 1whb s SER 32 CO 0.05 -4.22 1.28 -0.22 0.41 0.00 0.00 173.24 170.54 1whb s LEU 33 N -7.12 -0.14 0.08 2.44 2.96 -1.26 -3.57 118.68 112.08 1whb s LEU 33 Ca 0.68 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.83 1whb s LEU 33 Cb -0.17 1.31 -0.03 0.00 0.50 0.00 0.00 46.19 47.79 1whb s LEU 33 CO 0.59 -0.10 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.74 1whb s ILE 34 N -0.76 1.19 0.12 6.68 1.01 -1.24 -5.02 121.20 123.19 1whb s ILE 34 Ca 0.06 -1.40 0.09 0.00 0.00 0.00 0.00 60.65 59.40 1whb s ILE 34 Cb -0.02 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1whb s ILE 34 CO -0.07 -0.25 -0.23 -0.63 0.00 0.00 0.00 174.94 173.76 1whb s ILE 35 N -1.44 1.92 0.04 2.92 1.01 -1.25 -0.96 121.20 123.45 1whb s ILE 35 Ca 0.01 -1.65 0.01 0.00 0.00 0.00 0.00 60.65 59.01 1whb s ILE 35 Cb -0.09 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1whb s ILE 35 CO 0.02 -0.02 -0.05 -0.04 0.00 0.00 0.00 174.94 174.85 1whb s MET 36 N -2.02 0.48 -0.58 2.79 -1.94 -1.11 0.11 119.30 117.02 1whb s MET 36 Ca 0.10 -0.83 -0.01 0.00 -1.71 0.00 0.00 55.69 53.24 1whb s MET 36 Cb -0.10 -0.02 0.15 0.00 2.01 0.00 0.00 34.83 36.87 1whb s MET 36 CO 0.05 -0.03 0.37 -0.51 -0.01 0.00 0.00 175.02 174.90 1whb s ASP 37 N -1.89 5.03 -0.99 3.03 1.11 -0.99 0.24 116.67 122.20 1whb s ASP 37 Ca -0.08 -2.81 -0.18 0.00 0.18 0.00 0.00 52.55 49.66 1whb s ASP 37 Cb -0.06 -1.80 -0.09 0.00 1.07 0.00 0.00 42.92 42.04 1whb s ASP 37 CO -0.02 -0.35 2.05 0.00 1.18 0.00 0.00 175.17 178.02 1whb n ALA 38 N 3.50 4.13 -3.69 5.23 0.00 -1.25 -3.83 120.51 124.60 1whb n ALA 38 Ca 0.06 -3.40 -0.12 0.00 0.00 0.00 0.00 53.44 49.98 1whb n ALA 38 Cb 0.37 -3.57 -0.04 0.00 0.00 0.00 0.00 19.45 16.22 1whb n ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1whb n ARG 39 N 6.50 0.29 -0.37 0.00 3.00 -1.24 -4.86 116.66 119.98 1whb n ARG 39 Ca 0.51 -1.85 -0.30 0.00 -0.01 0.00 0.00 57.85 56.20 1whb n ARG 39 Cb 0.38 1.58 0.29 0.00 0.00 0.00 0.00 32.46 34.71 1whb n ARG 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1whb s ARG 40 N -2.69 -2.77 -0.00 5.56 1.81 -1.26 -1.08 118.95 118.51 1whb s ARG 40 Ca 0.21 0.24 -0.11 0.00 -1.72 0.00 0.00 55.73 54.36 1whb s ARG 40 Cb 0.01 -1.39 -0.32 0.00 -0.45 0.00 0.00 34.95 32.80 1whb s ARG 40 CO 0.15 -4.80 0.85 1.98 -0.68 0.00 0.00 175.30 172.80 1whb h MET 41 N -3.36 0.41 -0.01 3.54 4.05 -1.94 -3.32 114.93 114.30 1whb h MET 41 Ca -0.46 -0.70 -0.06 0.00 -0.28 0.00 0.00 59.70 58.20 1whb h MET 41 Cb 1.34 0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 32.39 1whb h MET 41 CO 0.31 1.32 -0.29 0.37 0.23 0.00 0.00 176.91 178.84 1whb h GLN 42 N 0.11 0.02 -0.28 0.39 4.15 -2.00 -2.94 115.11 114.56 1whb h GLN 42 Ca -0.28 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.13 1whb h GLN 42 Cb 2.10 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.78 1whb h GLN 42 CO 0.21 0.31 0.16 -0.44 -1.93 0.00 0.00 178.83 177.15 1whb h ASP 43 N 0.02 0.34 -0.21 -0.69 3.32 -1.93 -2.19 116.42 115.09 1whb h ASP 43 Ca 0.00 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.01 1whb h ASP 43 Cb 0.53 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1whb h ASP 43 CO 0.04 0.31 0.14 0.22 -1.72 0.00 0.00 179.24 178.23 1whb h TYR 44 N 0.35 0.18 -0.02 4.55 3.20 -1.62 -0.46 116.97 123.14 1whb h TYR 44 Ca 0.10 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.85 1whb h TYR 44 Cb 0.04 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1whb h TYR 44 CO -0.04 0.11 -0.57 1.96 -1.64 0.00 0.00 178.16 177.98 1whb h GLN 45 N 0.19 0.07 0.00 1.82 4.20 -1.38 -3.36 115.11 116.64 1whb h GLN 45 Ca 0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1whb h GLN 45 Cb 0.12 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1whb h GLN 45 CO -0.02 0.62 -0.02 0.22 -0.67 0.00 0.00 178.83 178.97 1whb h ASP 46 N 0.05 0.00 -4.20 1.46 1.82 -0.69 -3.48 116.42 111.38 1whb h ASP 46 Ca -0.00 0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 56.05 1whb h ASP 46 Cb 1.02 0.00 -0.23 0.00 0.68 0.00 0.00 39.33 40.79 1whb h ASP 46 CO 0.08 0.11 -0.84 -0.44 -1.61 0.00 0.00 179.24 176.54 1whb s SER 47 N -3.61 2.61 -0.21 2.28 0.01 -0.33 -4.75 113.70 109.70 1whb s SER 47 Ca -0.01 -0.63 -0.33 0.00 1.31 0.00 0.00 55.95 56.30 1whb s SER 47 Cb 0.00 -0.18 0.15 0.00 0.21 0.00 0.00 66.02 66.20 1whb s SER 47 CO 0.01 0.12 1.22 0.00 0.41 0.00 0.00 173.24 174.99 1whb s ILE 49 N -1.85 3.56 0.00 0.00 -1.09 -1.26 -1.91 121.20 118.65 1whb s ILE 49 Ca 0.08 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 1whb s ILE 49 Cb -0.01 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 1whb s ILE 49 CO -0.05 -0.61 0.64 0.18 -1.23 0.00 0.00 174.94 173.88 1whb n LEU 50 N -3.08 0.01 -4.26 2.97 4.77 -1.25 -4.27 117.00 111.88 1whb n LEU 50 Ca 0.09 0.82 -0.44 0.00 -0.03 0.00 0.00 56.01 56.44 1whb n LEU 50 Cb 0.53 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1whb n LEU 50 CO 0.52 -0.50 0.98 1.41 -1.33 0.00 0.00 177.39 178.48 1whb n HIS 51 N -1.99 4.50 -4.18 -1.77 8.25 -1.26 -4.97 115.22 113.79 1whb n HIS 51 Ca 0.00 -3.52 -0.18 0.00 -0.26 0.00 0.00 57.72 53.77 1whb n HIS 51 Cb 0.00 -1.67 -0.06 0.00 1.12 0.00 0.00 29.99 29.38 1whb n HIS 51 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1whb n SER 52 N 2.75 -1.07 -4.60 0.41 3.41 -1.26 -4.70 113.62 108.56 1whb n SER 52 Ca 0.27 -3.10 -0.28 0.00 -0.26 0.00 0.00 58.87 55.49 1whb n SER 52 Cb 0.38 2.17 -0.09 0.00 -0.26 0.00 0.00 64.21 66.41 1whb n SER 52 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1whb s LEU 53 N 0.00 3.13 0.24 1.04 2.96 0.30 -4.93 118.68 121.42 1whb s LEU 53 Ca 0.35 -0.41 0.08 0.00 -0.22 0.00 0.00 54.13 53.93 1whb s LEU 53 Cb 0.00 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1whb s LEU 53 CO 0.25 0.14 0.10 -0.55 -1.32 0.00 0.00 176.35 174.97 1whb s SER 54 N -2.51 5.09 -0.30 3.68 0.15 -1.26 -2.34 113.70 116.20 1whb s SER 54 Ca 0.24 -0.39 -0.10 0.00 0.70 0.00 0.00 55.95 56.39 1whb s SER 54 Cb -0.10 -1.17 0.18 0.00 -1.71 0.00 0.00 66.02 63.22 1whb s SER 54 CO 0.16 0.00 0.94 0.54 1.20 0.00 0.00 173.24 176.07 1whb s VAL 55 N -2.12 -0.50 0.53 4.45 0.11 -1.25 -4.81 120.40 116.82 1whb s VAL 55 Ca 0.31 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.16 1whb s VAL 55 Cb -0.08 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 1whb s VAL 55 CO 0.22 0.00 1.21 -2.16 -3.33 0.00 0.00 175.10 171.04 1whb s PRO 56 N 2.93 3.32 0.33 1.54 0.04 -1.26 -3.66 135.00 138.24 1whb s PRO 56 Ca 0.05 1.84 0.10 0.00 0.04 0.00 0.00 61.00 63.03 1whb s PRO 56 Cb -0.11 -2.15 0.56 0.00 0.04 0.00 0.00 34.50 32.84 1whb s PRO 56 CO -0.14 -0.93 1.74 1.49 0.04 0.00 0.00 177.00 179.21 1whb h GLU 57 N 1.41 0.07 -0.29 4.56 4.81 -1.36 -2.77 114.58 121.02 1whb h GLU 57 Ca -0.50 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.76 1whb h GLU 57 Cb 1.28 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1whb h GLU 57 CO 0.57 0.50 0.20 0.93 -0.73 0.00 0.00 179.01 180.48 1whb h GLU 58 N 0.06 0.10 0.01 1.92 5.08 -1.92 -1.29 114.58 118.54 1whb h GLU 58 Ca 0.00 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1whb h GLU 58 Cb 0.80 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 1whb h GLU 58 CO 0.06 0.06 -1.39 0.00 -1.00 0.00 0.00 179.01 176.74 1whb h ALA 59 N 1.85 0.56 -1.62 3.43 0.00 -1.80 -3.42 119.26 118.26 1whb h ALA 59 Ca 0.13 -1.20 -0.61 0.00 0.00 0.00 0.00 54.91 53.23 1whb h ALA 59 Cb 0.41 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 18.26 1whb h ALA 59 CO -0.01 1.41 0.63 0.42 0.00 0.00 0.00 179.25 181.69 1whb s ILE 60 N -2.65 4.23 0.21 0.00 1.01 -0.49 -4.43 121.20 119.09 1whb s ILE 60 Ca -0.03 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.49 1whb s ILE 60 Cb 0.09 -4.71 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 1whb s ILE 60 CO 0.82 -1.50 0.12 -0.44 0.00 0.00 0.00 174.94 173.94 1whb s SER 61 N 3.64 5.29 -0.79 3.58 0.01 -1.26 -4.87 113.70 119.30 1whb s SER 61 Ca 0.25 -0.27 -0.25 0.00 1.31 0.00 0.00 55.95 56.98 1whb s SER 61 Cb -0.15 -1.29 -0.04 0.00 0.21 0.00 0.00 66.02 64.75 1whb s SER 61 CO 0.11 0.03 1.91 -2.16 0.41 0.00 0.00 173.24 173.54 1whb s PRO 62 N -3.39 2.59 0.00 12.44 0.04 -1.26 -3.58 135.00 141.83 1whb s PRO 62 Ca 0.31 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1whb s PRO 62 Cb -0.09 -4.81 0.00 0.00 0.04 0.00 0.00 34.50 29.65 1whb s PRO 62 CO 0.23 -3.13 0.00 0.41 0.04 0.00 0.00 177.00 174.55 1whb n GLY 63 N 6.41 0.88 3.48 0.56 0.00 -1.26 -5.10 105.19 110.16 1whb n GLY 63 Ca 0.33 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1whb n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1whb s VAL 64 N -2.01 0.79 0.51 1.61 -7.23 -1.24 -5.15 120.40 107.69 1whb s VAL 64 Ca 0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 1whb s VAL 64 Cb 0.00 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.46 1whb s VAL 64 CO 0.00 0.00 0.53 0.42 -0.31 0.00 0.00 175.10 175.74 1whb s THR 65 N -3.28 2.14 0.23 5.32 -4.23 -1.26 -4.49 115.64 110.07 1whb s THR 65 Ca 0.29 -1.27 -0.03 0.00 -1.18 0.00 0.00 61.69 59.50 1whb s THR 65 Cb 0.05 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.54 1whb s THR 65 CO 0.15 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.90 1whb h ALA 66 N 0.63 0.96 -0.16 3.99 0.00 -1.81 -2.72 119.26 120.16 1whb h ALA 66 Ca -0.36 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 1whb h ALA 66 Cb 1.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1whb h ALA 66 CO 0.51 0.61 0.09 0.66 0.00 0.00 0.00 179.25 181.12 1whb h SER 67 N 0.68 0.18 0.56 0.00 4.64 -1.96 0.50 113.55 118.15 1whb h SER 67 Ca 0.11 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1whb h SER 67 Cb 0.65 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1whb h SER 67 CO 0.05 0.14 -0.27 -0.25 -0.87 0.00 0.00 176.83 175.63 1whb h TRP 68 N 0.21 -0.69 -0.51 4.77 2.91 -1.87 -2.11 115.95 118.66 1whb h TRP 68 Ca 0.06 -0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.98 1whb h TRP 68 Cb -0.00 0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.86 1whb h TRP 68 CO 0.00 -0.38 0.01 0.82 -1.03 0.00 0.00 178.44 177.86 1whb h ILE 69 N -0.89 1.26 -0.35 2.65 2.04 -1.52 -2.66 117.51 118.04 1whb h ILE 69 Ca -0.08 -1.08 0.10 0.00 1.00 0.00 0.00 64.86 64.81 1whb h ILE 69 Cb 0.63 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1whb h ILE 69 CO 0.13 0.38 0.27 -0.08 0.00 0.00 0.00 178.15 178.85 1whb h GLU 70 N 0.76 0.00 0.00 2.37 4.81 -0.89 0.63 114.58 122.25 1whb h GLU 70 Ca 0.14 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.20 1whb h GLU 70 Cb 0.51 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1whb h GLU 70 CO 0.03 0.00 -0.83 0.00 -0.73 0.00 0.00 179.01 177.47 1whb h ALA 71 N 1.78 0.59 -3.14 2.92 0.00 -1.02 -3.38 119.26 117.01 1whb h ALA 71 Ca 0.17 -0.76 -0.66 0.00 0.00 0.00 0.00 54.91 53.66 1whb h ALA 71 Cb 0.71 -0.13 -0.39 0.00 0.00 0.00 0.00 17.79 17.98 1whb h ALA 71 CO -0.00 1.04 -0.46 -1.01 0.00 0.00 0.00 179.25 178.82 1whb s HIS 72 N -3.05 3.49 0.12 0.00 3.76 0.21 -5.05 115.29 114.78 1whb s HIS 72 Ca 0.00 -3.13 -0.17 0.00 -0.15 0.00 0.00 55.06 51.62 1whb s HIS 72 Cb 0.11 -2.93 0.04 0.00 1.11 0.00 0.00 32.58 30.91 1whb s HIS 72 CO 0.79 -0.69 0.41 -0.51 -0.85 0.00 0.00 174.74 173.90 1whb s LEU 73 N -0.86 0.35 0.00 0.89 1.43 -1.23 -4.69 118.68 114.55 1whb s LEU 73 Ca 0.22 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1whb s LEU 73 Cb -0.14 1.88 0.00 0.00 0.03 0.00 0.00 46.19 47.96 1whb s LEU 73 CO -0.09 -0.85 0.00 -2.65 0.23 0.00 0.00 176.35 172.99 1whb n PRO 74 N -0.20 -0.21 -0.06 1.29 -0.02 -1.26 -4.84 135.00 129.71 1whb n PRO 74 Ca -0.16 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.29 1whb n PRO 74 Cb 0.64 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.11 1whb n PRO 74 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1whb h ASP 75 N -1.21 0.00 0.60 2.55 1.82 -2.01 -3.33 116.42 114.85 1whb h ASP 75 Ca 0.00 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.52 1whb h ASP 75 Cb 0.00 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 1whb h ASP 75 CO 0.00 0.60 -0.59 -0.78 -1.61 0.00 0.00 179.24 176.86 1whb h ASP 76 N -0.89 0.00 -0.60 2.28 1.82 -2.02 -3.08 116.42 113.93 1whb h ASP 76 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1whb h ASP 76 Cb 0.30 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.28 1whb h ASP 76 CO 0.00 0.59 0.39 -1.28 -1.61 0.00 0.00 179.24 177.33 1whb h SER 77 N 0.00 0.70 -0.07 2.28 0.87 -1.93 -1.43 113.55 113.96 1whb h SER 77 Ca -0.01 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1whb h SER 77 Cb 1.05 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1whb h SER 77 CO 0.08 0.51 0.05 0.11 -0.53 0.00 0.00 176.83 177.05 1whb h LYS 78 N 0.82 0.03 0.51 2.24 6.56 -1.64 -0.21 116.57 124.87 1whb h LYS 78 Ca 0.22 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.78 1whb h LYS 78 Cb -0.08 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.58 1whb h LYS 78 CO -0.05 0.02 -0.24 -0.44 -2.06 0.00 0.00 179.45 176.68 1whb h ASP 79 N 0.03 -0.57 0.21 0.86 3.32 -1.39 -3.09 116.42 115.77 1whb h ASP 79 Ca 0.03 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1whb h ASP 79 Cb 0.10 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1whb h ASP 79 CO -0.00 -0.35 -0.07 0.74 -1.72 0.00 0.00 179.24 177.83 1whb h THR 80 N -0.79 0.56 -1.00 0.35 2.02 -1.56 -2.51 112.91 109.98 1whb h THR 80 Ca -0.07 -0.31 0.12 0.00 0.77 0.00 0.00 66.41 66.92 1whb h THR 80 Cb 0.52 1.20 -0.08 0.00 -1.74 0.00 0.00 68.15 68.05 1whb h THR 80 CO 0.11 0.07 0.63 -0.25 0.37 0.00 0.00 175.52 176.45 1whb h TRP 81 N 0.00 1.13 0.00 3.16 2.91 -0.95 -1.21 115.95 120.99 1whb h TRP 81 Ca -0.00 0.03 -0.17 0.00 1.13 0.00 0.00 58.89 59.88 1whb h TRP 81 Cb 0.19 -0.36 -0.03 0.00 -0.51 0.00 0.00 29.16 28.46 1whb h TRP 81 CO 0.00 0.45 -1.09 0.87 -1.03 0.00 0.00 178.44 177.64 1whb h LYS 82 N 0.98 0.00 0.00 2.65 1.57 -1.43 -3.28 116.57 117.06 1whb h LYS 82 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1whb h LYS 82 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1whb h LYS 82 CO -0.26 0.51 0.00 0.87 -0.57 0.00 0.00 179.45 180.01 1whb h LYS 83 N 0.00 0.00 -1.04 3.15 1.79 -1.07 -2.94 116.57 116.46 1whb h LYS 83 Ca -0.10 0.00 0.29 0.00 -2.18 0.00 0.00 60.65 58.66 1whb h LYS 83 Cb 1.61 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 32.21 1whb h LYS 83 CO 0.07 0.00 0.73 0.07 -1.08 0.00 0.00 179.45 179.24 1whb h ARG 84 N 0.00 0.12 0.00 3.15 0.11 -1.53 0.69 114.38 116.92 1whb h ARG 84 Ca 0.00 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1whb h ARG 84 Cb 0.19 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.24 1whb h ARG 84 CO 0.00 0.08 -0.08 0.78 0.10 0.00 0.00 179.97 180.85 1whb h GLY 85 N 0.12 0.00 0.49 0.08 0.00 -1.81 -3.24 103.07 98.72 1whb h GLY 85 Ca 0.52 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.61 1whb h GLY 85 CO -0.09 0.00 -1.26 -0.57 0.00 0.00 0.00 176.54 174.62 1whb h ASN 86 N 0.00 0.33 -2.76 0.19 -0.73 0.15 -3.47 115.58 109.29 1whb h ASN 86 Ca -0.00 -0.84 -0.36 0.00 1.87 0.00 0.00 56.30 56.97 1whb h ASN 86 Cb 0.69 -0.11 0.20 0.00 0.27 0.00 0.00 38.32 39.37 1whb h ASN 86 CO 0.01 1.55 -0.22 1.33 -0.37 0.00 0.00 177.43 179.73 1whb n VAL 87 N -4.02 0.00 0.00 2.57 0.24 -0.90 -5.04 118.33 111.18 1whb n VAL 87 Ca -0.24 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1whb n VAL 87 Cb 0.85 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 1whb n VAL 87 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1whb n GLU 88 N -4.72 0.00 -2.26 7.34 4.71 -1.26 -4.78 120.64 119.66 1whb n GLU 88 Ca 0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.97 1whb n GLU 88 Cb 0.55 -0.03 0.04 0.00 -1.01 0.00 0.00 31.44 30.98 1whb n GLU 88 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1whb s TYR 89 N -0.09 3.21 0.00 -0.32 1.51 -1.23 -4.05 117.35 116.39 1whb s TYR 89 Ca 0.00 0.69 -0.02 0.00 -1.01 0.00 0.00 57.07 56.73 1whb s TYR 89 Cb 0.00 -2.88 -0.01 0.00 -0.11 0.00 0.00 41.96 38.96 1whb s TYR 89 CO 0.00 -0.99 0.04 0.08 -1.11 0.00 0.00 175.55 173.57 1whb s VAL 90 N -3.11 0.07 0.03 0.71 1.01 -1.26 -3.60 120.40 114.26 1whb s VAL 90 Ca 0.56 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1whb s VAL 90 Cb -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 1whb s VAL 90 CO 0.46 -0.34 0.09 -0.69 0.00 0.00 0.00 175.10 174.63 1whb s VAL 91 N -1.06 0.13 0.46 2.92 1.01 -0.13 -2.30 120.40 121.42 1whb s VAL 91 Ca -0.12 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.86 1whb s VAL 91 Cb -0.07 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1whb s VAL 91 CO -0.00 -0.57 0.05 -0.76 0.00 0.00 0.00 175.10 173.82 1whb s LEU 92 N -1.99 2.22 0.44 3.92 1.43 0.02 -2.76 118.68 121.96 1whb s LEU 92 Ca -0.07 -1.63 0.04 0.00 -1.03 0.00 0.00 54.13 51.44 1whb s LEU 92 Cb -0.03 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.68 1whb s LEU 92 CO -0.04 -0.84 0.14 -0.76 0.23 0.00 0.00 176.35 175.08 1whb s LEU 93 N -3.75 2.00 -0.03 1.79 1.43 0.14 -2.04 118.68 118.22 1whb s LEU 93 Ca 0.16 -1.74 -0.29 0.00 -1.03 0.00 0.00 54.13 51.23 1whb s LEU 93 Cb 0.03 -0.10 0.09 0.00 0.03 0.00 0.00 46.19 46.24 1whb s LEU 93 CO 0.09 -1.00 1.29 1.51 0.23 0.00 0.00 176.35 178.48 1whb s ASP 94 N -3.66 0.01 -0.20 2.29 1.47 -1.26 -3.97 116.67 111.34 1whb s ASP 94 Ca 0.20 -0.18 -0.16 0.00 1.18 0.00 0.00 52.55 53.59 1whb s ASP 94 Cb 0.01 0.13 -0.08 0.00 -0.34 0.00 0.00 42.92 42.64 1whb s ASP 94 CO 0.14 -0.26 -0.29 0.79 0.68 0.00 0.00 175.17 176.23 1whb n TRP 95 N -0.93 0.21 -2.64 2.11 5.03 -1.26 0.11 117.44 120.08 1whb n TRP 95 Ca 0.04 0.09 0.00 0.00 3.03 0.00 0.00 57.50 60.67 1whb n TRP 95 Cb 0.58 -0.69 0.04 0.00 -1.03 0.00 0.00 31.31 30.22 1whb n TRP 95 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 1whb n PHE 96 N -4.44 0.31 -4.37 -5.99 3.72 -1.26 -4.21 117.46 101.22 1whb n PHE 96 Ca -0.23 -1.43 -0.24 0.00 -0.05 0.00 0.00 57.45 55.51 1whb n PHE 96 Cb 0.57 0.10 -0.09 0.00 -0.94 0.00 0.00 39.48 39.12 1whb n PHE 96 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1whb s SER 97 N -2.64 4.11 0.21 4.37 1.04 -1.26 -5.06 113.70 114.47 1whb s SER 97 Ca 0.24 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 55.83 1whb s SER 97 Cb 0.33 -0.60 -0.03 0.00 0.10 0.00 0.00 66.02 65.82 1whb s SER 97 CO -0.09 0.03 0.25 -0.44 0.98 0.00 0.00 173.24 173.97 1whb s SER 98 N -3.49 0.07 0.45 7.02 0.01 -1.26 -4.07 113.70 112.43 1whb s SER 98 Ca 0.30 -1.22 0.13 0.00 1.31 0.00 0.00 55.95 56.47 1whb s SER 98 Cb -0.06 0.45 1.05 0.00 0.21 0.00 0.00 66.02 67.67 1whb s SER 98 CO 0.17 -0.94 2.04 0.00 0.41 0.00 0.00 173.24 174.93 1whb h ALA 99 N 2.50 1.95 0.01 1.44 0.00 -1.88 -1.27 119.26 122.01 1whb h ALA 99 Ca -0.32 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.33 1whb h ALA 99 Cb 1.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1whb h ALA 99 CO 0.47 -0.02 -1.25 0.87 0.00 0.00 0.00 179.25 179.32 1whb h LYS 100 N 0.34 0.02 0.00 0.00 6.56 -1.96 -3.26 116.57 118.27 1whb h LYS 100 Ca 0.17 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 1whb h LYS 100 Cb 0.26 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 1whb h LYS 100 CO -0.04 0.85 0.00 -0.25 -2.06 0.00 0.00 179.45 177.95 1whb n ASP 101 N -3.26 0.72 -4.65 0.86 8.00 -0.57 -4.83 116.55 112.82 1whb n ASP 101 Ca -0.06 0.63 -0.46 0.00 0.71 0.00 0.00 54.79 55.61 1whb n ASP 101 Cb 0.98 -0.80 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1whb n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1whb n LEU 102 N -2.25 2.72 0.00 0.64 4.77 -0.65 -4.85 117.00 117.39 1whb n LEU 102 Ca 0.03 1.13 -0.09 0.00 -0.03 0.00 0.00 56.01 57.05 1whb n LEU 102 Cb 0.30 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 1whb n LEU 102 CO 0.24 -0.64 -0.06 0.00 -1.33 0.00 0.00 177.39 175.60 1whb n GLN 103 N 2.23 0.56 -2.41 3.23 1.13 -1.26 -5.07 117.38 115.78 1whb n GLN 103 Ca 0.13 -1.37 -0.37 0.00 -1.94 0.00 0.00 57.00 53.45 1whb n GLN 103 Cb 0.29 0.88 -0.04 0.00 0.11 0.00 0.00 30.24 31.49 1whb n GLN 103 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1whb s ILE 104 N -2.30 3.79 0.00 5.09 1.01 -1.26 -3.48 121.20 124.04 1whb s ILE 104 Ca 0.11 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1whb s ILE 104 Cb 0.01 -4.76 0.00 0.00 0.01 0.00 0.00 42.46 37.71 1whb s ILE 104 CO 0.08 -1.65 0.00 0.61 0.00 0.00 0.00 174.94 173.98 1whb n GLY 105 N 6.83 0.88 3.51 6.18 0.00 -1.26 -5.16 105.19 116.17 1whb n GLY 105 Ca 0.36 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 1whb n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1whb s THR 106 N -1.06 2.91 0.10 2.61 -4.23 -1.23 -5.03 115.64 109.71 1whb s THR 106 Ca 0.00 -1.58 -0.21 0.00 -1.18 0.00 0.00 61.69 58.72 1whb s THR 106 Cb 0.00 -2.37 -0.11 0.00 1.34 0.00 0.00 72.50 71.37 1whb s THR 106 CO 0.00 0.03 1.74 0.71 -0.54 0.00 0.00 174.62 176.56 1whb h THR 107 N 3.31 1.05 -0.21 3.99 1.35 -1.91 0.27 112.91 120.75 1whb h THR 107 Ca -0.49 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1whb h THR 107 Cb 1.18 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 1whb h THR 107 CO 0.48 0.04 0.12 -0.07 -0.25 0.00 0.00 175.52 175.85 1whb h LEU 108 N 0.13 0.25 -1.19 3.87 3.38 -1.93 0.80 115.31 120.62 1whb h LEU 108 Ca 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1whb h LEU 108 Cb 0.01 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1whb h LEU 108 CO -0.01 0.24 0.51 -0.09 0.09 0.00 0.00 178.44 179.17 1whb h ARG 109 N 0.24 1.05 0.09 1.13 2.43 -1.86 0.75 114.38 118.22 1whb h ARG 109 Ca 0.07 -0.07 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 1whb h ARG 109 Cb 0.03 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1whb h ARG 109 CO -0.01 0.71 -1.16 0.66 -1.51 0.00 0.00 179.97 178.66 1whb h SER 110 N 1.08 0.57 0.43 -3.80 4.64 -0.56 -2.63 113.55 113.28 1whb h SER 110 Ca 0.29 -0.54 -0.18 0.00 -0.47 0.00 0.00 61.79 60.89 1whb h SER 110 Cb -0.10 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 1whb h SER 110 CO -0.06 1.38 -0.75 0.25 -0.87 0.00 0.00 176.83 176.78 1whb h LEU 111 N 0.17 0.31 -0.57 5.97 5.85 0.11 -1.26 115.31 125.89 1whb h LEU 111 Ca -0.13 -0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.23 1whb h LEU 111 Cb 1.84 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.76 1whb h LEU 111 CO 0.20 0.95 -0.67 0.50 -0.34 0.00 0.00 178.44 179.08 1whb h LYS 112 N 0.17 0.00 0.00 1.25 3.11 0.45 -3.12 116.57 118.43 1whb h LYS 112 Ca -0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1whb h LYS 112 Cb 1.32 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.55 1whb h LYS 112 CO 0.12 0.67 -0.78 -0.44 -2.81 0.00 0.00 179.45 176.21 1whb h ASP 113 N 0.00 0.00 -0.40 4.20 3.32 -1.41 -3.23 116.42 118.90 1whb h ASP 113 Ca -0.01 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1whb h ASP 113 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 1whb h ASP 113 CO 0.09 0.03 0.01 0.00 -1.72 0.00 0.00 179.24 177.64 1whb n ALA 114 N -2.07 3.47 0.00 3.45 0.00 -0.48 -0.00 120.51 124.87 1whb n ALA 114 Ca 0.01 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.14 1whb n ALA 114 Cb 0.52 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1whb n ALA 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1whb n LEU 115 N 0.41 0.55 -0.09 0.00 4.77 -1.23 -3.88 117.00 117.52 1whb n LEU 115 Ca 0.19 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.97 1whb n LEU 115 Cb 0.90 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.93 1whb n LEU 115 CO 0.23 -0.07 -1.14 0.33 -1.33 0.00 0.00 177.39 175.41 1whb n PHE 116 N -2.26 0.00 0.16 -1.77 -0.00 -1.22 -4.74 117.46 107.62 1whb n PHE 116 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.38 1whb n PHE 116 Cb 0.18 -0.67 -0.03 0.00 -0.00 0.00 0.00 39.48 38.96 1whb n PHE 116 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1whb h LYS 117 N -0.67 -0.42 -5.78 -4.13 3.64 -1.69 -3.35 116.57 104.18 1whb h LYS 117 Ca -0.47 0.03 -0.63 0.00 -1.27 0.00 0.00 60.65 58.31 1whb h LYS 117 Cb 1.41 0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 33.21 1whb h LYS 117 CO -0.29 -0.28 1.30 -1.58 -2.27 0.00 0.00 179.45 176.34 1whb s TRP 118 N -4.01 2.71 -0.25 1.91 0.52 0.99 -4.92 118.94 115.90 1whb s TRP 118 Ca -0.07 -1.02 -0.26 0.00 0.02 0.00 0.00 56.10 54.78 1whb s TRP 118 Cb 0.01 -4.57 0.08 0.00 -1.15 0.00 0.00 33.47 27.83 1whb s TRP 118 CO 0.21 -1.80 0.76 -1.21 0.02 0.00 0.00 176.95 174.93 1whb s GLU 119 N 4.27 0.81 0.00 4.98 0.41 -1.26 -4.42 118.70 123.49 1whb s GLU 119 Ca 0.42 0.87 0.10 0.00 -0.41 0.00 0.00 54.97 55.95 1whb s GLU 119 Cb -0.01 0.39 0.17 0.00 -1.78 0.00 0.00 34.13 32.90 1whb s GLU 119 CO -0.10 -0.12 1.03 0.45 -0.49 0.00 0.00 175.26 176.04 1whb n SER 120 N 2.44 0.34 0.14 -0.19 2.88 -1.26 -4.94 113.62 113.03 1whb n SER 120 Ca -0.14 -1.93 0.00 0.00 -1.33 0.00 0.00 58.87 55.46 1whb n SER 120 Cb 0.55 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1whb n SER 120 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1whb n LYS 121 N 0.19 0.00 -4.68 -1.46 5.02 -1.26 -5.11 118.16 110.87 1whb n LYS 121 Ca 0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 1whb n LYS 121 Cb 0.86 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.74 1whb n LYS 121 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1whb s THR 122 N -2.00 3.40 -0.04 -0.18 2.01 -1.26 -5.11 115.64 112.46 1whb s THR 122 Ca 0.00 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 1whb s THR 122 Cb 0.00 -2.42 0.03 0.00 0.01 0.00 0.00 72.50 70.12 1whb s THR 122 CO 0.00 0.55 0.08 -0.69 -0.69 0.00 0.00 174.62 173.87 1whb s VAL 123 N -0.10 -0.04 1.14 3.82 1.01 -1.26 -4.89 120.40 120.07 1whb s VAL 123 Ca -0.00 0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 1whb s VAL 123 Cb -0.13 -0.14 0.27 0.00 0.00 0.00 0.00 36.38 36.38 1whb s VAL 123 CO 0.03 0.06 1.21 -0.76 0.00 0.00 0.00 175.10 175.64 1whb s LEU 124 N 0.80 1.46 0.07 3.92 1.43 -1.26 -4.99 118.68 120.11 1whb s LEU 124 Ca -0.06 0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.38 1whb s LEU 124 Cb -0.09 -2.16 -0.28 0.00 0.03 0.00 0.00 46.19 43.68 1whb s LEU 124 CO -0.03 -3.71 1.13 0.08 0.23 0.00 0.00 176.35 174.04 1whb h ARG 125 N -2.31 0.27 0.00 1.70 0.11 -1.87 -3.48 114.38 108.81 1whb h ARG 125 Ca -0.43 -0.47 -0.09 0.00 0.10 0.00 0.00 59.98 59.09 1whb h ARG 125 Cb 1.26 0.17 -0.02 0.00 1.11 0.00 0.00 29.97 32.49 1whb h ARG 125 CO 0.31 1.22 -0.08 0.09 0.10 0.00 0.00 179.97 181.61 1whb n ASN 126 N -3.53 0.88 -4.71 0.08 3.02 -1.26 -5.12 115.26 104.61 1whb n ASN 126 Ca -0.09 -1.36 -0.35 0.00 -0.03 0.00 0.00 54.58 52.75 1whb n ASN 126 Cb 1.03 0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 40.29 1whb n ASN 126 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1whb s GLU 127 N -2.25 4.16 -0.02 3.52 2.02 -1.26 -4.94 118.70 119.93 1whb s GLU 127 Ca 0.04 -0.22 -0.33 0.00 0.02 0.00 0.00 54.97 54.47 1whb s GLU 127 Cb 0.00 -3.45 -0.11 0.00 0.10 0.00 0.00 34.13 30.67 1whb s GLU 127 CO 0.03 0.23 1.86 -0.35 0.02 0.00 0.00 175.26 177.05 1whb n PRO 128 N 3.73 2.34 -2.90 0.39 -0.04 -1.26 -4.80 135.00 132.46 1whb n PRO 128 Ca -0.16 0.86 -0.19 0.00 -0.04 0.00 0.00 63.50 63.97 1whb n PRO 128 Cb 0.52 -2.72 0.03 0.00 -0.04 0.00 0.00 33.50 31.29 1whb n PRO 128 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1whb s LEU 129 N 3.66 3.44 -0.10 1.53 1.02 -0.97 -4.94 118.68 122.32 1whb s LEU 129 Ca 0.90 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 54.66 1whb s LEU 129 Cb -0.63 -2.50 -0.02 0.00 0.02 0.00 0.00 46.19 43.07 1whb s LEU 129 CO 0.47 -1.01 -0.14 0.54 0.02 0.00 0.00 176.35 176.23 1whb s VAL 130 N -2.55 3.01 0.70 -1.59 0.11 -1.26 -0.80 120.40 118.03 1whb s VAL 130 Ca 0.57 -0.70 -0.16 0.00 -2.93 0.00 0.00 61.98 58.76 1whb s VAL 130 Cb -0.09 -2.23 0.02 0.00 -1.53 0.00 0.00 36.38 32.54 1whb s VAL 130 CO 0.36 0.55 1.23 -0.11 -3.33 0.00 0.00 175.10 173.80 1whb n LEU 131 N 3.12 5.31 -4.55 2.54 7.94 -0.87 -1.89 117.00 128.61 1whb n LEU 131 Ca -0.18 0.75 -0.39 0.00 -1.11 0.00 0.00 56.01 55.07 1whb n LEU 131 Cb 0.53 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 42.92 1whb n LEU 131 CO 0.29 -1.31 1.49 -0.70 -1.11 0.00 0.00 177.39 176.05 1whb s GLU 132 N -3.56 2.81 0.00 1.96 2.12 0.13 -3.21 118.70 118.95 1whb s GLU 132 Ca 0.79 0.46 0.00 0.00 0.36 0.00 0.00 54.97 56.58 1whb s GLU 132 Cb -0.35 -4.32 0.00 0.00 0.26 0.00 0.00 34.13 29.72 1whb s GLU 132 CO 0.44 -2.53 0.00 0.41 -0.54 0.00 0.00 175.26 173.04 1whb n GLY 133 N 5.60 2.85 1.77 -1.50 0.00 -1.26 -4.63 105.19 108.02 1whb n GLY 133 Ca 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1whb n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1whb n GLY 134 N 0.00 0.88 0.19 -0.02 0.00 -1.20 -3.99 105.19 101.05 1whb n GLY 134 Ca 0.00 -1.37 -0.17 0.00 0.00 0.00 0.00 46.02 44.48 1whb n GLY 134 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1whb h TYR 135 N 0.00 0.89 -0.16 1.61 3.20 0.46 -1.83 116.97 121.13 1whb h TYR 135 Ca 0.00 -0.45 0.02 0.00 3.14 0.00 0.00 58.73 61.44 1whb h TYR 135 Cb 0.00 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1whb h TYR 135 CO 0.00 1.28 0.11 1.49 -1.64 0.00 0.00 178.16 179.40 1whb h GLU 136 N 0.37 0.13 0.01 1.82 4.57 -1.73 -2.01 114.58 117.75 1whb h GLU 136 Ca -0.09 -0.01 -0.29 0.00 -1.18 0.00 0.00 59.36 57.79 1whb h GLU 136 Cb 1.56 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 30.08 1whb h GLU 136 CO 0.18 0.09 -1.67 -0.97 -1.18 0.00 0.00 179.01 175.45 1whb h ASN 137 N 0.13 0.04 -0.59 1.04 -0.73 -1.74 -3.34 115.58 110.40 1whb h ASN 137 Ca 0.07 -0.08 -0.00 0.00 1.87 0.00 0.00 56.30 58.15 1whb h ASN 137 Cb 0.11 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.65 1whb h ASN 137 CO -0.01 1.08 0.37 -0.25 -0.37 0.00 0.00 177.43 178.24 1whb h TRP 138 N 0.01 0.78 -0.06 0.67 2.91 -0.62 0.64 115.95 120.28 1whb h TRP 138 Ca -0.27 0.01 -0.13 0.00 1.13 0.00 0.00 58.89 59.63 1whb h TRP 138 Cb 2.00 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 30.37 1whb h TRP 138 CO 0.01 0.52 -0.53 -0.07 -1.03 0.00 0.00 178.44 177.34 1whb h LEU 139 N 0.83 0.19 -0.06 0.65 3.38 -1.57 0.83 115.31 119.56 1whb h LEU 139 Ca 0.22 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1whb h LEU 139 Cb -0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1whb h LEU 139 CO -0.04 0.69 -1.01 -0.07 0.09 0.00 0.00 178.44 178.10 1whb h LEU 140 N 0.14 0.10 0.04 1.67 3.38 -1.44 -2.74 115.31 116.46 1whb h LEU 140 Ca 0.00 -0.10 -0.25 0.00 0.09 0.00 0.00 57.88 57.62 1whb h LEU 140 Cb 0.98 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1whb h LEU 140 CO 0.08 1.04 -1.34 0.00 0.09 0.00 0.00 178.44 178.30 1whb s TYR 142 N -2.41 1.26 0.13 0.00 2.02 0.29 -4.96 117.35 113.68 1whb s TYR 142 Ca -0.26 -2.40 0.28 0.00 -0.37 0.00 0.00 57.07 54.32 1whb s TYR 142 Cb 0.05 -1.04 1.10 0.00 -0.40 0.00 0.00 41.96 41.67 1whb s TYR 142 CO 0.66 -0.81 1.89 -1.00 -1.57 0.00 0.00 175.55 174.72 1whb h PRO 143 N 5.62 0.00 -1.90 -1.71 0.13 -1.52 -3.23 132.00 129.39 1whb h PRO 143 Ca 0.26 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.87 1whb h PRO 143 Cb 0.90 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.84 1whb h PRO 143 CO 0.39 0.14 0.51 0.00 -0.23 0.00 0.00 178.00 178.81 1whb n GLN 144 N -3.30 2.39 -2.69 0.86 10.64 -1.26 -4.10 117.38 119.92 1whb n GLN 144 Ca 0.00 -2.45 -0.02 0.00 -1.83 0.00 0.00 57.00 52.70 1whb n GLN 144 Cb 0.38 -2.10 0.12 0.00 -0.86 0.00 0.00 30.24 27.78 1whb n GLN 144 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 1whb n TYR 145 N 0.54 -1.70 -4.07 2.61 4.19 -1.22 -5.14 117.16 112.37 1whb n TYR 145 Ca 0.48 -1.77 -0.10 0.00 3.31 0.00 0.00 57.90 59.82 1whb n TYR 145 Cb 0.52 1.36 -0.09 0.00 0.49 0.00 0.00 39.34 41.62 1whb n TYR 145 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1whb s THR 146 N -0.32 0.07 0.11 2.97 -4.23 -1.26 -3.88 115.64 109.11 1whb s THR 146 Ca 0.11 -1.69 -0.05 0.00 -1.18 0.00 0.00 61.69 58.88 1whb s THR 146 Cb 0.43 -2.01 -0.21 0.00 1.34 0.00 0.00 72.50 72.05 1whb s THR 146 CO -0.12 -0.34 1.25 0.71 -0.54 0.00 0.00 174.62 175.59 1whb h THR 147 N 2.69 1.42 0.00 3.99 1.35 -1.63 -3.42 112.91 117.32 1whb h THR 147 Ca -0.33 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 62.91 1whb h THR 147 Cb 1.22 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 1whb h THR 147 CO 0.53 0.78 -0.18 -3.20 -0.25 0.00 0.00 175.52 173.20 1whb n ASN 148 N -3.69 0.37 -2.32 5.36 2.85 -1.26 -4.97 115.26 111.59 1whb n ASN 148 Ca -0.07 0.06 -0.14 0.00 -0.11 0.00 0.00 54.58 54.32 1whb n ASN 148 Cb 0.89 -0.51 -0.01 0.00 1.24 0.00 0.00 39.78 41.39 1whb n ASN 148 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1whb n ALA 149 N -2.87 -0.69 -2.77 5.20 0.00 -1.26 -4.81 120.51 113.32 1whb n ALA 149 Ca -0.03 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1whb n ALA 149 Cb 0.09 -1.62 0.05 0.00 0.00 0.00 0.00 19.45 17.97 1whb n ALA 149 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1whb n LYS 150 N -2.75 1.43 -0.04 0.00 5.02 -1.26 -4.86 118.16 115.70 1whb n LYS 150 Ca -0.16 -3.07 -0.05 0.00 -2.02 0.00 0.00 58.31 53.00 1whb n LYS 150 Cb 0.61 -1.19 -0.04 0.00 -0.02 0.00 0.00 35.03 34.39 1whb n LYS 150 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1whb n VAL 151 N -0.52 0.49 -2.50 -0.18 0.24 -1.26 -5.02 118.33 109.58 1whb n VAL 151 Ca 0.04 -0.21 -0.21 0.00 -2.04 0.00 0.00 64.34 61.92 1whb n VAL 151 Cb 0.85 -0.81 -0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1whb n VAL 151 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1whb n SER 152 N -2.65 -5.90 0.00 -1.34 7.64 -1.26 -4.70 113.62 105.42 1whb n SER 152 Ca -0.14 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1whb n SER 152 Cb 0.68 -4.89 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 1whb n SER 152 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whb n GLY 153 N -1.09 2.29 0.22 0.23 0.00 -1.26 -4.83 105.19 100.75 1whb n GLY 153 Ca -0.22 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 1whb n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whb h PRO 154 N 0.00 0.67 -0.30 1.61 0.13 -2.01 -3.43 132.00 128.66 1whb h PRO 154 Ca 0.00 -0.45 0.06 0.00 -0.87 0.00 0.00 66.00 64.75 1whb h PRO 154 Cb 0.00 0.06 -0.17 0.00 0.13 0.00 0.00 31.00 31.03 1whb h PRO 154 CO 0.00 1.07 -0.16 0.45 -0.23 0.00 0.00 178.00 179.13 1whb s SER 155 N -6.96 -0.45 -0.78 1.44 0.15 -1.26 -5.10 113.70 100.73 1whb s SER 155 Ca -0.08 -0.34 -0.08 0.00 0.70 0.00 0.00 55.95 56.14 1whb s SER 155 Cb 0.10 0.58 0.20 0.00 -1.71 0.00 0.00 66.02 65.20 1whb s SER 155 CO 0.86 -0.04 0.68 -0.94 1.20 0.00 0.00 173.24 175.00 1whb s SER 156 N 1.58 6.18 0.00 5.45 1.04 -1.26 -5.26 113.70 121.43 1whb s SER 156 Ca 0.18 -2.92 0.00 0.00 0.48 0.00 0.00 55.95 53.69 1whb s SER 156 Cb 0.06 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.12 1whb s SER 156 CO -0.12 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.27