#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whb h SER 2 N 0.00 0.45 0.00 1.61 0.87 -2.03 -3.42 113.55 111.02 1whb h SER 2 Ca 0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1whb h SER 2 Cb 0.00 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1whb h SER 2 CO 0.00 1.31 -0.09 -1.54 -0.53 0.00 0.00 176.83 175.98 1whb n SER 3 N -3.59 0.28 0.00 6.23 3.41 -1.26 -5.01 113.62 113.68 1whb n SER 3 Ca -0.08 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1whb n SER 3 Cb 0.97 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1whb n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whb n GLY 4 N 2.50 1.70 3.20 5.00 0.00 -1.26 -4.84 105.19 111.48 1whb n GLY 4 Ca -0.01 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1whb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whb s SER 5 N 0.00 2.99 0.51 1.61 1.04 -1.26 -5.05 113.70 113.54 1whb s SER 5 Ca 0.00 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1whb s SER 5 Cb 0.00 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.75 1whb s SER 5 CO 0.00 0.14 0.00 -0.24 0.98 0.00 0.00 173.24 174.12 1whb n SER 6 N 3.64 -8.66 0.00 7.02 2.88 -1.26 -5.06 113.62 112.17 1whb n SER 6 Ca -0.19 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1whb n SER 6 Cb 0.53 -4.76 0.00 0.00 -0.75 0.00 0.00 64.21 59.22 1whb n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whb n GLY 7 N -4.34 1.54 2.67 0.46 0.00 -1.26 -4.91 105.19 99.35 1whb n GLY 7 Ca -0.05 -1.84 -0.22 0.00 0.00 0.00 0.00 46.02 43.91 1whb n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whb s LYS 8 N -2.95 0.15 -0.11 1.61 -0.14 -1.26 -5.09 119.74 111.95 1whb s LYS 8 Ca 0.00 -0.02 0.01 0.00 -1.36 0.00 0.00 55.97 54.61 1whb s LYS 8 Cb 0.00 -1.40 0.02 0.00 -1.68 0.00 0.00 37.83 34.77 1whb s LYS 8 CO 0.00 -0.73 -0.14 0.00 -0.76 0.00 0.00 175.35 173.72 1whb s GLU 10 N 1.10 1.52 -0.17 0.00 2.56 -1.26 -5.08 118.70 117.37 1whb s GLU 10 Ca -0.05 -1.23 0.00 0.00 0.00 0.00 0.00 54.97 53.69 1whb s GLU 10 Cb -0.14 0.47 -0.11 0.00 2.00 0.00 0.00 34.13 36.34 1whb s GLU 10 CO -0.03 -0.63 -0.16 0.25 -0.56 0.00 0.00 175.26 174.13 1whb n THR 11 N -0.37 0.98 -2.73 -1.70 -2.24 -1.26 -5.09 114.28 101.87 1whb n THR 11 Ca -0.02 -0.36 -0.01 0.00 -2.27 0.00 0.00 64.05 61.38 1whb n THR 11 Cb 0.62 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1whb n THR 11 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1whb n LYS 12 N -3.07 -3.35 -3.22 -0.78 4.81 -1.26 -5.03 118.16 106.26 1whb n LYS 12 Ca -0.31 2.71 -0.20 0.00 -0.87 0.00 0.00 58.31 59.63 1whb n LYS 12 Cb 0.82 -5.43 0.00 0.00 0.02 0.00 0.00 35.03 30.44 1whb n LYS 12 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1whb s GLU 13 N -1.77 3.05 0.00 1.64 2.56 -1.26 -5.04 118.70 117.88 1whb s GLU 13 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 54.97 54.20 1whb s GLU 13 Cb -0.01 -2.70 0.00 0.00 2.00 0.00 0.00 34.13 33.42 1whb s GLU 13 CO 0.78 -0.12 0.00 1.63 -0.56 0.00 0.00 175.26 176.99 1whb n LYS 14 N -1.86 0.00 -1.26 4.30 4.76 -1.26 -4.81 118.16 118.04 1whb n LYS 14 Ca 0.01 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.18 1whb n LYS 14 Cb 0.58 -0.58 0.03 0.00 -1.84 0.00 0.00 35.03 33.22 1whb n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1whb n GLY 15 N 2.66 4.86 2.87 0.72 0.00 -1.26 -4.84 105.19 110.19 1whb n GLY 15 Ca 0.00 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.67 -0.21 -0.20 4.61 0.00 -1.26 -3.92 121.76 118.11 1whb s ALA 16 Ca 0.49 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 53.04 1whb s ALA 16 Cb 0.37 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 1whb s ALA 16 CO -0.09 -0.47 -0.09 -1.50 0.00 0.00 0.00 175.76 173.60 1whb s ILE 17 N 2.03 3.01 0.70 0.00 2.07 -1.07 -4.90 121.20 123.03 1whb s ILE 17 Ca 0.00 -0.62 -0.11 0.00 -1.41 0.00 0.00 60.65 58.50 1whb s ILE 17 Cb -0.12 -2.34 0.01 0.00 0.13 0.00 0.00 42.46 40.15 1whb s ILE 17 CO -0.06 0.47 1.07 0.42 -1.91 0.00 0.00 174.94 174.92 1whb s THR 18 N 1.27 3.89 0.50 4.00 -4.23 -1.26 -2.87 115.64 116.93 1whb s THR 18 Ca 0.03 0.64 0.14 0.00 -1.18 0.00 0.00 61.69 61.32 1whb s THR 18 Cb -0.14 -3.32 0.27 0.00 1.34 0.00 0.00 72.50 70.66 1whb s THR 18 CO -0.04 -0.78 2.13 0.00 -0.54 0.00 0.00 174.62 175.38 1whb h ALA 19 N -0.69 1.95 -0.04 3.99 0.00 -1.95 -2.28 119.26 120.24 1whb h ALA 19 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1whb h ALA 19 Cb 1.21 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1whb h ALA 19 CO 0.56 0.04 0.00 -0.22 0.00 0.00 0.00 179.25 179.63 1whb h LYS 20 N 0.12 0.07 -0.73 0.00 3.11 -2.00 -2.54 116.57 114.59 1whb h LYS 20 Ca 0.04 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1whb h LYS 20 Cb 0.02 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.21 1whb h LYS 20 CO -0.01 0.34 0.47 0.93 -2.81 0.00 0.00 179.45 178.38 1whb h GLU 21 N -0.22 0.97 -0.37 1.90 5.08 -1.83 -2.45 114.58 117.68 1whb h GLU 21 Ca 0.01 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1whb h GLU 21 Cb 0.31 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1whb h GLU 21 CO 0.00 0.66 0.23 1.25 -1.00 0.00 0.00 179.01 180.15 1whb h LEU 22 N 1.00 0.44 -1.33 1.33 5.85 -1.30 -2.05 115.31 119.24 1whb h LEU 22 Ca 0.27 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1whb h LEU 22 Cb -0.10 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1whb h LEU 22 CO -0.06 0.35 0.46 0.22 -0.34 0.00 0.00 178.44 179.07 1whb h TYR 23 N 0.49 0.86 -0.60 1.25 3.20 -1.02 0.43 116.97 121.58 1whb h TYR 23 Ca 0.13 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 1whb h TYR 23 Cb -0.02 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 1whb h TYR 23 CO -0.04 0.54 0.03 1.15 -1.64 0.00 0.00 178.16 178.20 1whb h THR 24 N 0.93 1.26 0.15 1.81 2.02 -1.06 -1.18 112.91 116.83 1whb h THR 24 Ca 0.25 -1.09 -0.27 0.00 0.77 0.00 0.00 66.41 66.07 1whb h THR 24 Cb -0.10 0.76 0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1whb h THR 24 CO -0.06 0.40 -1.16 0.24 0.37 0.00 0.00 175.52 175.31 1whb h MET 25 N 0.95 0.53 -0.11 6.66 2.86 -0.70 -3.23 114.93 121.88 1whb h MET 25 Ca 0.18 -0.76 -0.03 0.00 -2.06 0.00 0.00 59.70 57.03 1whb h MET 25 Cb 0.50 0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1whb h MET 25 CO 0.02 1.35 -0.05 0.52 1.06 0.00 0.00 176.91 179.81 1whb h MET 26 N 0.09 0.16 -0.98 1.72 2.07 -0.12 -2.08 114.93 115.79 1whb h MET 26 Ca -0.19 -0.02 -0.58 0.00 -2.07 0.00 0.00 59.70 56.84 1whb h MET 26 Cb 1.87 -0.03 -0.30 0.00 -1.87 0.00 0.00 31.60 31.27 1whb h MET 26 CO 0.22 0.22 0.71 0.25 1.07 0.00 0.00 176.91 179.39 1whb n THR 27 N -4.39 3.37 -5.03 2.22 -2.24 -0.45 -4.92 114.28 102.84 1whb n THR 27 Ca -0.01 -2.44 -0.28 0.00 -2.27 0.00 0.00 64.05 59.04 1whb n THR 27 Cb 0.18 -0.79 -0.16 0.00 -2.10 0.00 0.00 70.33 67.46 1whb n THR 27 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1whb s ASP 28 N -1.62 2.53 -0.40 3.42 1.01 -0.78 -4.98 116.67 115.85 1whb s ASP 28 Ca 0.60 -0.41 0.05 0.00 0.71 0.00 0.00 52.55 53.51 1whb s ASP 28 Cb 0.49 -0.54 0.67 0.00 1.01 0.00 0.00 42.92 44.55 1whb s ASP 28 CO 0.05 0.22 1.86 2.29 0.21 0.00 0.00 175.17 179.79 1whb n LYS 29 N 2.87 2.61 -0.72 8.23 -0.00 -1.26 -4.10 118.16 125.78 1whb n LYS 29 Ca -0.17 -2.91 -0.01 0.00 -0.00 0.00 0.00 58.31 55.22 1whb n LYS 29 Cb 0.53 -2.15 -0.01 0.00 -0.00 0.00 0.00 35.03 33.40 1whb n LYS 29 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1whb n ASN 30 N -0.82 -0.03 -3.66 -5.58 6.94 -1.26 -5.08 115.26 105.77 1whb n ASN 30 Ca 0.53 -1.62 -0.08 0.00 -0.02 0.00 0.00 54.58 53.39 1whb n ASN 30 Cb 1.56 -0.05 -0.09 0.00 -2.36 0.00 0.00 39.78 38.84 1whb n ASN 30 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1whb s ILE 31 N 0.00 -0.66 0.20 1.53 1.01 -1.26 -5.14 121.20 116.88 1whb s ILE 31 Ca 0.05 0.15 -0.24 0.00 0.00 0.00 0.00 60.65 60.61 1whb s ILE 31 Cb 0.05 -0.70 -0.08 0.00 0.01 0.00 0.00 42.46 41.74 1whb s ILE 31 CO -0.02 0.06 0.78 -0.44 0.00 0.00 0.00 174.94 175.32 1whb s SER 32 N 2.60 7.30 -0.22 3.58 0.01 -1.26 -4.82 113.70 120.89 1whb s SER 32 Ca -0.02 1.61 -0.14 0.00 1.31 0.00 0.00 55.95 58.71 1whb s SER 32 Cb -0.12 -2.49 0.06 0.00 0.21 0.00 0.00 66.02 63.69 1whb s SER 32 CO -0.13 0.13 0.54 -0.22 0.41 0.00 0.00 173.24 173.97 1whb s LEU 33 N -1.46 -0.39 -0.03 2.44 2.96 -1.26 -1.90 118.68 119.04 1whb s LEU 33 Ca 0.39 1.16 0.06 0.00 -0.22 0.00 0.00 54.13 55.52 1whb s LEU 33 Cb -0.21 1.83 -0.01 0.00 0.50 0.00 0.00 46.19 48.30 1whb s LEU 33 CO 0.25 -0.21 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.24 1whb s ILE 34 N 1.22 1.61 0.23 6.68 1.01 -1.21 -5.01 121.20 125.74 1whb s ILE 34 Ca -0.07 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.79 1whb s ILE 34 Cb -0.06 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1whb s ILE 34 CO -0.12 0.46 0.12 -0.63 0.00 0.00 0.00 174.94 174.77 1whb s ILE 35 N -0.33 4.15 -0.01 2.92 1.01 -1.26 -0.04 121.20 127.65 1whb s ILE 35 Ca 0.04 -1.47 0.00 0.00 0.00 0.00 0.00 60.65 59.23 1whb s ILE 35 Cb -0.09 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1whb s ILE 35 CO 0.00 -0.29 -0.01 -0.04 0.00 0.00 0.00 174.94 174.60 1whb s MET 36 N -3.59 0.13 -0.72 2.79 -1.94 -0.78 0.10 119.30 115.30 1whb s MET 36 Ca 0.32 -0.02 -0.10 0.00 -1.71 0.00 0.00 55.69 54.17 1whb s MET 36 Cb -0.08 -0.17 0.19 0.00 2.01 0.00 0.00 34.83 36.78 1whb s MET 36 CO 0.23 0.00 0.62 -0.51 -0.01 0.00 0.00 175.02 175.35 1whb s ASP 37 N 0.15 6.16 -1.01 3.03 1.11 -0.02 -0.23 116.67 125.87 1whb s ASP 37 Ca -0.01 -2.63 -0.14 0.00 0.18 0.00 0.00 52.55 49.94 1whb s ASP 37 Cb -0.03 -2.08 0.20 0.00 1.07 0.00 0.00 42.92 42.08 1whb s ASP 37 CO -0.00 -0.53 1.09 0.00 1.18 0.00 0.00 175.17 176.90 1whb s ALA 38 N 0.26 4.02 0.30 5.23 0.00 -1.26 -3.06 121.76 127.26 1whb s ALA 38 Ca 0.16 -3.30 0.00 0.00 0.00 0.00 0.00 51.96 48.82 1whb s ALA 38 Cb -0.16 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1whb s ALA 38 CO -0.06 -2.56 0.00 0.54 0.00 0.00 0.00 175.76 173.68 1whb n ARG 39 N 4.76 0.00 -3.62 0.00 3.00 -1.26 -4.60 116.66 114.94 1whb n ARG 39 Ca 0.24 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 58.05 1whb n ARG 39 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.89 1whb n ARG 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1whb s ARG 40 N -1.90 0.16 0.38 5.56 3.00 -1.26 -4.43 118.95 120.46 1whb s ARG 40 Ca 0.00 -0.06 0.11 0.00 -1.00 0.00 0.00 55.73 54.78 1whb s ARG 40 Cb 0.00 0.08 0.77 0.00 0.00 0.00 0.00 34.95 35.79 1whb s ARG 40 CO 0.00 -0.07 1.88 1.98 0.00 0.00 0.00 175.30 179.09 1whb h MET 41 N 2.00 0.14 0.02 5.12 4.05 -1.92 -2.55 114.93 121.80 1whb h MET 41 Ca -0.05 -0.04 -0.22 0.00 -0.28 0.00 0.00 59.70 59.11 1whb h MET 41 Cb 1.15 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.91 1whb h MET 41 CO 0.21 0.37 -1.02 0.37 0.23 0.00 0.00 176.91 177.07 1whb h GLN 42 N 0.13 0.06 -0.45 0.39 4.15 -1.99 -3.20 115.11 114.20 1whb h GLN 42 Ca 0.02 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 1whb h GLN 42 Cb 0.49 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1whb h GLN 42 CO 0.03 1.02 0.16 -0.44 -1.93 0.00 0.00 178.83 177.67 1whb h ASP 43 N 0.02 0.65 -0.33 -0.69 3.32 -1.80 -1.03 116.42 116.56 1whb h ASP 43 Ca -0.04 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.77 1whb h ASP 43 Cb 1.76 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 41.12 1whb h ASP 43 CO 0.14 0.67 0.05 0.22 -1.72 0.00 0.00 179.24 178.60 1whb h TYR 44 N 0.60 0.67 -0.03 4.55 3.20 -1.56 0.65 116.97 125.05 1whb h TYR 44 Ca 0.15 -0.06 -0.14 0.00 3.14 0.00 0.00 58.73 61.81 1whb h TYR 44 Cb 0.24 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1whb h TYR 44 CO 0.01 0.61 -0.64 1.96 -1.64 0.00 0.00 178.16 178.46 1whb h GLN 45 N 0.62 0.12 0.00 1.82 4.20 -1.48 -3.34 115.11 117.05 1whb h GLN 45 Ca 0.13 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1whb h GLN 45 Cb 0.32 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1whb h GLN 45 CO 0.01 0.72 -0.47 0.22 -0.67 0.00 0.00 178.83 178.64 1whb h ASP 46 N 0.08 0.00 -3.97 1.46 3.58 -0.67 -3.48 116.42 113.42 1whb h ASP 46 Ca -0.01 -0.44 -0.30 0.00 0.42 0.00 0.00 57.03 56.71 1whb h ASP 46 Cb 1.14 0.00 -0.28 0.00 1.72 0.00 0.00 39.33 41.92 1whb h ASP 46 CO 0.09 0.98 -0.74 -0.44 -2.88 0.00 0.00 179.24 176.25 1whb s SER 47 N -6.16 0.49 -0.22 2.28 0.01 0.22 -4.73 113.70 105.58 1whb s SER 47 Ca -0.17 -0.12 -0.31 0.00 1.31 0.00 0.00 55.95 56.66 1whb s SER 47 Cb 0.01 -0.04 0.16 0.00 0.21 0.00 0.00 66.02 66.36 1whb s SER 47 CO 0.42 0.02 1.22 0.00 0.41 0.00 0.00 173.24 175.30 1whb s ILE 49 N -1.44 3.52 0.00 0.00 1.01 -1.26 -1.08 121.20 121.96 1whb s ILE 49 Ca 0.06 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.40 1whb s ILE 49 Cb -0.01 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.24 1whb s ILE 49 CO -0.04 -0.45 0.67 0.18 0.00 0.00 0.00 174.94 175.29 1whb n LEU 50 N -2.34 0.00 -4.11 2.97 4.77 -1.21 -3.91 117.00 113.16 1whb n LEU 50 Ca 0.09 0.67 -0.43 0.00 -0.03 0.00 0.00 56.01 56.31 1whb n LEU 50 Cb 0.52 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1whb n LEU 50 CO 0.48 -0.17 1.88 1.41 -1.33 0.00 0.00 177.39 179.67 1whb n HIS 51 N -1.02 3.85 -4.04 -1.77 8.25 -1.26 -4.91 115.22 114.32 1whb n HIS 51 Ca 0.00 -3.00 -0.10 0.00 -0.26 0.00 0.00 57.72 54.36 1whb n HIS 51 Cb 0.00 -2.18 -0.08 0.00 1.12 0.00 0.00 29.99 28.85 1whb n HIS 51 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1whb s SER 52 N 2.16 0.08 0.32 0.41 1.04 -1.25 -4.50 113.70 111.95 1whb s SER 52 Ca 0.43 -1.02 0.07 0.00 0.48 0.00 0.00 55.95 55.90 1whb s SER 52 Cb 0.06 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 1whb s SER 52 CO -0.00 -0.90 0.40 -0.22 0.98 0.00 0.00 173.24 173.49 1whb s LEU 53 N -3.02 3.92 0.01 2.42 2.96 0.29 -4.92 118.68 120.32 1whb s LEU 53 Ca 0.23 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1whb s LEU 53 Cb 0.04 -2.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 1whb s LEU 53 CO 0.04 -0.34 -0.13 -0.94 -1.32 0.00 0.00 176.35 173.65 1whb s SER 54 N -4.08 1.57 -0.13 3.68 1.04 -1.26 -0.84 113.70 113.67 1whb s SER 54 Ca 0.42 -0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.49 1whb s SER 54 Cb -0.08 -0.15 0.06 0.00 0.10 0.00 0.00 66.02 65.95 1whb s SER 54 CO 0.29 0.12 0.29 0.54 0.98 0.00 0.00 173.24 175.46 1whb s VAL 55 N -0.48 -0.32 0.81 5.02 0.11 -1.17 -4.64 120.40 119.72 1whb s VAL 55 Ca 0.04 0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 59.17 1whb s VAL 55 Cb -0.06 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.33 1whb s VAL 55 CO 0.00 0.09 0.65 -2.65 -3.33 0.00 0.00 175.10 169.86 1whb n PRO 56 N 5.00 0.12 0.04 1.54 -0.02 -1.26 -4.26 135.00 136.16 1whb n PRO 56 Ca -0.12 0.09 -0.20 0.00 -2.02 0.00 0.00 63.50 61.25 1whb n PRO 56 Cb 0.51 -1.98 -0.12 0.00 -0.02 0.00 0.00 33.50 31.89 1whb n PRO 56 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1whb h GLU 57 N -0.82 0.52 -0.32 -0.52 4.81 -1.87 -3.25 114.58 113.12 1whb h GLU 57 Ca -0.45 -0.62 -0.01 0.00 -0.13 0.00 0.00 59.36 58.15 1whb h GLU 57 Cb 1.32 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.87 1whb h GLU 57 CO 0.41 1.24 0.17 0.93 -0.73 0.00 0.00 179.01 181.03 1whb h GLU 58 N 0.08 0.44 -0.06 1.92 4.39 -1.92 -1.50 114.58 117.93 1whb h GLU 58 Ca -0.12 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 1whb h GLU 58 Cb 1.59 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.14 1whb h GLU 58 CO 0.17 0.33 -0.13 0.00 -1.16 0.00 0.00 179.01 178.22 1whb h ALA 59 N 1.75 1.67 -2.20 3.43 0.00 -1.90 -3.36 119.26 118.65 1whb h ALA 59 Ca 0.12 -0.16 -0.73 0.00 0.00 0.00 0.00 54.91 54.14 1whb h ALA 59 Cb 0.02 -0.05 -0.22 0.00 0.00 0.00 0.00 17.79 17.55 1whb h ALA 59 CO -0.02 0.25 0.23 0.42 0.00 0.00 0.00 179.25 180.13 1whb s ILE 60 N -4.74 5.07 0.52 0.00 1.01 -0.56 -4.54 121.20 117.96 1whb s ILE 60 Ca -0.05 -1.60 -0.01 0.00 0.00 0.00 0.00 60.65 58.99 1whb s ILE 60 Cb 0.16 -4.53 0.01 0.00 0.01 0.00 0.00 42.46 38.11 1whb s ILE 60 CO 0.71 -1.16 0.77 -0.44 0.00 0.00 0.00 174.94 174.82 1whb s SER 61 N 3.19 5.57 -0.98 3.58 0.01 -1.26 -4.91 113.70 118.91 1whb s SER 61 Ca 0.17 0.32 -0.24 0.00 1.31 0.00 0.00 55.95 57.51 1whb s SER 61 Cb -0.17 -1.38 -0.15 0.00 0.21 0.00 0.00 66.02 64.53 1whb s SER 61 CO -0.02 -0.95 1.93 -0.81 0.41 0.00 0.00 173.24 173.80 1whb n PRO 62 N -2.31 1.23 0.00 12.44 -0.04 -1.26 -3.90 135.00 141.15 1whb n PRO 62 Ca 0.04 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1whb n PRO 62 Cb 0.58 -3.47 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 1whb n PRO 62 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1whb n GLY 63 N 5.47 0.73 3.36 0.55 0.00 -1.26 -5.00 105.19 109.04 1whb n GLY 63 Ca 0.46 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1whb n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1whb n VAL 64 N 0.00 0.00 -4.04 1.61 0.24 -1.25 -5.14 118.33 109.75 1whb n VAL 64 Ca 0.00 -2.46 -0.15 0.00 -2.04 0.00 0.00 64.34 59.69 1whb n VAL 64 Cb 0.00 1.06 -0.02 0.00 -1.47 0.00 0.00 33.84 33.41 1whb n VAL 64 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1whb n THR 65 N -0.79 0.00 0.07 3.34 -2.24 -1.26 -4.15 114.28 109.25 1whb n THR 65 Ca 0.01 -1.15 -0.04 0.00 -2.27 0.00 0.00 64.05 60.60 1whb n THR 65 Cb 0.62 -0.01 0.16 0.00 -2.10 0.00 0.00 70.33 69.00 1whb n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1whb h ALA 66 N 0.92 0.95 -0.21 6.98 0.00 -1.71 -2.94 119.26 123.25 1whb h ALA 66 Ca -0.19 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 1whb h ALA 66 Cb 0.64 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1whb h ALA 66 CO 0.31 0.65 -0.02 0.77 0.00 0.00 0.00 179.25 180.96 1whb h SER 67 N 0.24 0.29 0.33 0.00 0.02 -1.92 0.22 113.55 112.73 1whb h SER 67 Ca 0.01 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1whb h SER 67 Cb 0.95 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1whb h SER 67 CO 0.08 0.36 -0.16 -0.25 -1.14 0.00 0.00 176.83 175.72 1whb h TRP 68 N 0.31 -0.41 -0.27 3.45 2.91 -1.91 -2.11 115.95 117.92 1whb h TRP 68 Ca 0.07 -0.01 -0.10 0.00 1.13 0.00 0.00 58.89 59.98 1whb h TRP 68 Cb 0.25 0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 1whb h TRP 68 CO 0.01 -0.12 -0.23 0.82 -1.03 0.00 0.00 178.44 177.89 1whb h ILE 69 N -0.68 1.31 -0.25 2.65 2.04 -1.54 -2.46 117.51 118.57 1whb h ILE 69 Ca -0.05 -1.38 0.07 0.00 1.00 0.00 0.00 64.86 64.51 1whb h ILE 69 Cb 0.47 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1whb h ILE 69 CO 0.07 0.44 0.24 -0.08 0.00 0.00 0.00 178.15 178.82 1whb h GLU 70 N 0.37 0.00 0.09 2.37 4.81 -0.61 -0.94 114.58 120.67 1whb h GLU 70 Ca 0.05 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.98 1whb h GLU 70 Cb 0.78 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1whb h GLU 70 CO 0.06 0.00 -1.53 0.00 -0.73 0.00 0.00 179.01 176.81 1whb h ALA 71 N 1.76 0.35 -3.02 2.92 0.00 -1.18 -3.41 119.26 116.68 1whb h ALA 71 Ca 0.12 -1.15 -0.73 0.00 0.00 0.00 0.00 54.91 53.14 1whb h ALA 71 Cb 0.60 0.29 -0.31 0.00 0.00 0.00 0.00 17.79 18.36 1whb h ALA 71 CO -0.00 1.22 -0.18 -1.01 0.00 0.00 0.00 179.25 179.28 1whb s HIS 72 N -2.62 3.55 0.16 0.00 3.76 -0.36 -5.02 115.29 114.76 1whb s HIS 72 Ca -0.08 -2.42 -0.21 0.00 -0.15 0.00 0.00 55.06 52.19 1whb s HIS 72 Cb 0.07 -3.45 0.06 0.00 1.11 0.00 0.00 32.58 30.37 1whb s HIS 72 CO 0.84 -0.90 0.57 -0.51 -0.85 0.00 0.00 174.74 173.89 1whb s LEU 73 N 0.03 -0.36 0.00 0.89 1.43 -1.24 -4.66 118.68 114.76 1whb s LEU 73 Ca 0.17 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1whb s LEU 73 Cb -0.16 2.47 0.00 0.00 0.03 0.00 0.00 46.19 48.52 1whb s LEU 73 CO -0.06 -0.98 0.00 -2.65 0.23 0.00 0.00 176.35 172.89 1whb n PRO 74 N -0.36 -0.36 -0.10 1.29 -0.02 -1.26 -4.78 135.00 129.41 1whb n PRO 74 Ca -0.16 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.12 1whb n PRO 74 Cb 0.64 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 34.01 1whb n PRO 74 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1whb n ASP 75 N -1.67 1.86 0.05 2.55 -0.08 -1.26 -3.57 116.55 114.43 1whb n ASP 75 Ca 0.00 0.43 -0.09 0.00 -1.51 0.00 0.00 54.79 53.63 1whb n ASP 75 Cb 0.00 -0.96 -0.13 0.00 2.34 0.00 0.00 41.12 42.37 1whb n ASP 75 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1whb h ASP 76 N -1.00 0.07 0.42 1.67 1.82 -2.02 -3.30 116.42 114.09 1whb h ASP 76 Ca -0.34 -0.08 -0.10 0.00 -0.39 0.00 0.00 57.03 56.12 1whb h ASP 76 Cb 1.26 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.23 1whb h ASP 76 CO -0.20 1.07 -0.47 0.28 -1.61 0.00 0.00 179.24 178.30 1whb h SER 77 N 0.01 0.07 0.13 2.28 0.02 -1.92 -2.84 113.55 111.30 1whb h SER 77 Ca -0.09 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 1whb h SER 77 Cb 1.85 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.37 1whb h SER 77 CO 0.13 0.53 -0.16 0.50 -1.14 0.00 0.00 176.83 176.69 1whb h LYS 78 N 0.05 0.07 0.76 3.45 3.64 -1.63 -2.22 116.57 120.69 1whb h LYS 78 Ca -0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1whb h LYS 78 Cb 0.85 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1whb h LYS 78 CO 0.06 0.23 -0.37 -0.44 -2.27 0.00 0.00 179.45 176.67 1whb h ASP 79 N 0.06 -0.87 -0.07 4.20 5.19 -1.63 -2.96 116.42 120.34 1whb h ASP 79 Ca 0.01 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1whb h ASP 79 Cb 0.32 0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 1whb h ASP 79 CO 0.02 -0.52 0.06 0.74 -3.12 0.00 0.00 179.24 176.42 1whb h THR 80 N -1.21 0.80 -0.68 0.35 2.02 -1.61 -1.48 112.91 111.09 1whb h THR 80 Ca -0.10 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.14 1whb h THR 80 Cb 0.80 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1whb h THR 80 CO 0.17 0.00 0.45 -0.25 0.37 0.00 0.00 175.52 176.26 1whb h TRP 81 N 0.00 0.68 0.00 3.16 2.91 -1.23 0.25 115.95 121.72 1whb h TRP 81 Ca 0.03 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1whb h TRP 81 Cb 0.15 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.58 1whb h TRP 81 CO 0.00 0.36 -0.08 0.87 -1.03 0.00 0.00 178.44 178.55 1whb h LYS 82 N 0.67 0.00 -0.33 2.65 6.56 -1.22 -3.18 116.57 121.73 1whb h LYS 82 Ca 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.89 1whb h LYS 82 Cb 0.30 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 1whb h LYS 82 CO -0.09 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 178.93 1whb n LYS 83 N -2.56 1.75 0.17 3.15 5.02 0.07 -4.00 118.16 121.75 1whb n LYS 83 Ca 0.05 -1.15 0.01 0.00 -2.02 0.00 0.00 58.31 55.20 1whb n LYS 83 Cb 0.47 -1.26 0.30 0.00 -0.02 0.00 0.00 35.03 34.53 1whb n LYS 83 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1whb h ARG 84 N 1.86 0.02 0.00 1.97 0.11 -1.51 -2.70 114.38 114.13 1whb h ARG 84 Ca 0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 1whb h ARG 84 Cb 0.44 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 1whb h ARG 84 CO 0.00 0.45 -0.17 0.78 0.10 0.00 0.00 179.97 181.13 1whb h GLY 85 N 1.29 0.00 1.21 0.08 0.00 -1.85 -3.26 103.07 100.54 1whb h GLY 85 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 1whb h GLY 85 CO 0.06 0.00 -1.33 -0.57 0.00 0.00 0.00 176.54 174.69 1whb h ASN 86 N 0.00 0.85 -2.84 0.19 -0.73 -1.75 -3.45 115.58 107.85 1whb h ASN 86 Ca -0.00 -0.87 -0.35 0.00 1.87 0.00 0.00 56.30 56.95 1whb h ASN 86 Cb 1.00 -0.27 0.21 0.00 0.27 0.00 0.00 38.32 39.52 1whb h ASN 86 CO 0.02 1.65 -0.17 1.33 -0.37 0.00 0.00 177.43 179.89 1whb n VAL 87 N -3.78 0.00 -0.04 2.57 0.24 -1.09 -5.00 118.33 111.22 1whb n VAL 87 Ca -0.15 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.10 1whb n VAL 87 Cb 1.03 -0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 32.40 1whb n VAL 87 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1whb n GLU 88 N -5.60 2.06 -4.30 7.34 2.13 -1.23 -4.61 120.64 116.43 1whb n GLU 88 Ca 0.13 0.01 -0.16 0.00 0.66 0.00 0.00 57.16 57.81 1whb n GLU 88 Cb 0.58 -1.22 -0.10 0.00 0.27 0.00 0.00 31.44 30.97 1whb n GLU 88 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1whb s TYR 89 N -2.21 1.44 0.04 4.31 2.02 -0.80 -3.75 117.35 118.39 1whb s TYR 89 Ca -0.07 -0.87 -0.00 0.00 -0.37 0.00 0.00 57.07 55.76 1whb s TYR 89 Cb 0.03 -0.80 -0.03 0.00 -0.40 0.00 0.00 41.96 40.76 1whb s TYR 89 CO 0.32 -0.01 -0.04 0.08 -1.57 0.00 0.00 175.55 174.34 1whb s VAL 90 N -3.40 0.22 0.02 0.71 1.01 -1.26 -3.28 120.40 114.41 1whb s VAL 90 Ca 0.24 -1.28 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 1whb s VAL 90 Cb 0.05 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.64 1whb s VAL 90 CO 0.06 -0.68 0.22 -0.69 0.00 0.00 0.00 175.10 174.00 1whb s VAL 91 N -2.40 0.09 0.46 2.92 1.01 0.95 -2.76 120.40 120.68 1whb s VAL 91 Ca -0.06 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1whb s VAL 91 Cb -0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1whb s VAL 91 CO -0.04 -0.40 0.06 -0.76 0.00 0.00 0.00 175.10 173.95 1whb s LEU 92 N -1.74 2.17 0.32 3.92 1.43 -0.09 -1.86 118.68 122.83 1whb s LEU 92 Ca -0.09 -1.66 0.04 0.00 -1.03 0.00 0.00 54.13 51.39 1whb s LEU 92 Cb -0.04 -0.46 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 1whb s LEU 92 CO -0.01 -0.88 0.18 -0.76 0.23 0.00 0.00 176.35 175.12 1whb s LEU 93 N -3.76 1.71 0.00 1.79 1.43 0.68 -2.40 118.68 118.13 1whb s LEU 93 Ca 0.14 -1.62 -0.29 0.00 -1.03 0.00 0.00 54.13 51.33 1whb s LEU 93 Cb 0.02 0.26 0.10 0.00 0.03 0.00 0.00 46.19 46.59 1whb s LEU 93 CO 0.08 -0.94 1.31 -0.90 0.23 0.00 0.00 176.35 176.14 1whb n ASP 94 N -1.11 -1.11 -0.12 2.29 5.75 -1.26 -4.05 116.55 116.94 1whb n ASP 94 Ca 0.02 -1.15 -0.26 0.00 -0.01 0.00 0.00 54.79 53.39 1whb n ASP 94 Cb 0.64 1.71 -0.11 0.00 -1.03 0.00 0.00 41.12 42.33 1whb n ASP 94 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1whb n TRP 95 N -0.95 0.41 -2.14 2.11 5.03 -1.26 0.10 117.44 120.74 1whb n TRP 95 Ca 0.05 0.16 -0.05 0.00 3.03 0.00 0.00 57.50 60.69 1whb n TRP 95 Cb 0.58 -1.04 -0.04 0.00 -1.03 0.00 0.00 31.31 29.77 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 -4.15 -0.11 -3.93 -5.99 3.72 -1.25 -4.39 117.46 101.36 1whb n PHE 96 Ca -0.45 -0.60 -0.33 0.00 -0.05 0.00 0.00 57.45 56.02 1whb n PHE 96 Cb 0.85 0.44 -0.14 0.00 -0.94 0.00 0.00 39.48 39.69 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 -1.23 4.88 0.69 4.37 1.04 -1.26 -4.99 113.70 117.20 1whb s SER 97 Ca 0.07 -2.26 -0.04 0.00 0.48 0.00 0.00 55.95 54.19 1whb s SER 97 Cb 0.10 -1.70 0.08 0.00 0.10 0.00 0.00 66.02 64.60 1whb s SER 97 CO -0.04 -0.41 0.98 -0.44 0.98 0.00 0.00 173.24 174.31 1whb s SER 98 N 1.00 4.71 0.58 7.02 0.01 -1.26 -4.81 113.70 120.95 1whb s SER 98 Ca 0.11 0.18 0.28 0.00 1.31 0.00 0.00 55.95 57.83 1whb s SER 98 Cb -0.21 -0.79 1.62 0.00 0.21 0.00 0.00 66.02 66.84 1whb s SER 98 CO -0.06 -1.62 2.10 0.00 0.41 0.00 0.00 173.24 174.07 1whb h ALA 99 N -0.50 1.87 0.00 1.44 0.00 -1.86 0.40 119.26 120.60 1whb h ALA 99 Ca -0.42 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1whb h ALA 99 Cb 1.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1whb h ALA 99 CO 0.53 -0.30 -1.24 1.63 0.00 0.00 0.00 179.25 179.87 1whb n LYS 100 N -3.90 0.61 -0.64 0.00 4.01 -1.26 -3.91 118.16 113.08 1whb n LYS 100 Ca 0.02 0.17 0.05 0.00 -0.51 0.00 0.00 58.31 58.03 1whb n LYS 100 Cb 0.33 -1.81 0.29 0.00 -0.51 0.00 0.00 35.03 33.32 1whb n LYS 100 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1whb n ASP 101 N -2.77 4.35 -4.53 4.39 9.92 0.10 -4.86 116.55 123.14 1whb n ASP 101 Ca -0.05 -2.67 -0.42 0.00 -0.53 0.00 0.00 54.79 51.12 1whb n ASP 101 Cb 0.70 -0.63 -0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1whb n ASP 101 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1whb s LEU 102 N -1.96 3.75 0.72 0.64 1.43 -0.99 -4.62 118.68 117.66 1whb s LEU 102 Ca 0.39 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1whb s LEU 102 Cb 0.30 -2.75 0.14 0.00 0.03 0.00 0.00 46.19 43.90 1whb s LEU 102 CO 0.11 -1.50 1.00 -1.10 0.23 0.00 0.00 176.35 175.09 1whb s GLN 103 N 4.70 1.63 -0.59 1.70 -0.21 -1.26 -5.01 119.66 120.62 1whb s GLN 103 Ca 0.33 -1.30 -0.27 0.00 0.02 0.00 0.00 55.36 54.14 1whb s GLN 103 Cb -0.11 -2.37 0.01 0.00 1.00 0.00 0.00 33.01 31.54 1whb s GLN 103 CO 0.18 -1.47 1.52 0.42 -2.12 0.00 0.00 175.29 173.81 1whb s ILE 104 N -3.12 3.66 0.00 1.08 1.01 -1.26 -3.13 121.20 119.44 1whb s ILE 104 Ca 0.67 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1whb s ILE 104 Cb -0.04 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1whb s ILE 104 CO 0.44 -1.18 0.00 0.61 0.00 0.00 0.00 174.94 174.81 1whb n GLY 105 N 5.39 1.85 1.46 6.18 0.00 -1.26 -5.14 105.19 113.67 1whb n GLY 105 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1whb n GLY 105 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1whb n THR 106 N -0.38 0.00 -0.10 2.61 -2.24 -1.18 -4.90 114.28 108.09 1whb n THR 106 Ca 0.00 -0.59 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 1whb n THR 106 Cb 0.00 -1.21 -0.16 0.00 -2.10 0.00 0.00 70.33 66.86 1whb n THR 106 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1whb n THR 107 N -1.95 1.39 0.13 4.28 -1.04 -1.26 -4.13 114.28 111.70 1whb n THR 107 Ca 0.06 -0.86 -0.22 0.00 -2.04 0.00 0.00 64.05 60.99 1whb n THR 107 Cb 0.22 -0.46 -0.15 0.00 -1.82 0.00 0.00 70.33 68.11 1whb n THR 107 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1whb h LEU 108 N 0.00 0.71 0.64 -4.42 3.38 -1.92 -2.71 115.31 111.00 1whb h LEU 108 Ca -0.55 -0.80 -0.03 0.00 0.09 0.00 0.00 57.88 56.60 1whb h LEU 108 Cb 2.25 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1whb h LEU 108 CO 0.03 1.63 -0.34 0.03 0.09 0.00 0.00 178.44 179.88 1whb h ARG 109 N 0.12 -0.87 -0.22 1.13 2.47 -1.90 0.75 114.38 115.86 1whb h ARG 109 Ca -0.24 0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.49 1whb h ARG 109 Cb 2.12 0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 30.62 1whb h ARG 109 CO 0.25 -0.58 -0.07 0.66 0.56 0.00 0.00 179.97 180.79 1whb h SER 110 N -0.91 0.31 -0.08 7.04 4.64 -1.72 0.59 113.55 123.42 1whb h SER 110 Ca -0.08 -0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 60.98 1whb h SER 110 Cb 0.72 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1whb h SER 110 CO 0.11 0.42 -0.68 0.25 -0.87 0.00 0.00 176.83 176.07 1whb h LEU 111 N 0.32 0.81 -0.45 5.97 5.85 -1.16 -1.41 115.31 125.25 1whb h LEU 111 Ca 0.07 -0.49 -0.17 0.00 0.84 0.00 0.00 57.88 58.12 1whb h LEU 111 Cb 0.33 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1whb h LEU 111 CO 0.02 1.27 -0.77 0.50 -0.34 0.00 0.00 178.44 179.12 1whb h LYS 112 N 0.51 0.16 0.00 1.25 3.64 0.91 -3.07 116.57 119.97 1whb h LYS 112 Ca -0.02 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1whb h LYS 112 Cb 1.28 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1whb h LYS 112 CO 0.14 0.85 0.00 -0.44 -2.27 0.00 0.00 179.45 177.72 1whb h ASP 113 N 0.10 0.00 -0.36 4.20 5.19 -0.86 -3.18 116.42 121.51 1whb h ASP 113 Ca -0.02 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1whb h ASP 113 Cb 1.34 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.85 1whb h ASP 113 CO 0.11 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.23 1whb n ALA 114 N -2.07 3.38 0.00 3.45 0.00 -0.54 -0.07 120.51 124.65 1whb n ALA 114 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1whb n ALA 114 Cb 0.52 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.39 1.74 -0.03 0.00 4.77 -1.20 -3.02 117.00 119.65 1whb n LEU 115 Ca 0.17 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.08 1whb n LEU 115 Cb 0.85 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.91 1whb n LEU 115 CO 0.21 0.26 -0.60 0.33 -1.33 0.00 0.00 177.39 176.26 1whb n PHE 116 N -2.43 0.00 -0.06 -1.77 7.35 -1.23 -4.69 117.46 114.62 1whb n PHE 116 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 1whb n PHE 116 Cb 0.39 -0.25 -0.01 0.00 0.35 0.00 0.00 39.48 39.95 1whb n PHE 116 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1whb h LYS 117 N -0.30 0.09 -3.99 -4.13 3.11 -1.74 -3.25 116.57 106.36 1whb h LYS 117 Ca -0.14 -0.01 -0.77 0.00 -2.81 0.00 0.00 60.65 56.92 1whb h LYS 117 Cb 0.90 -0.02 -0.24 0.00 -1.00 0.00 0.00 32.23 31.87 1whb h LYS 117 CO -0.09 0.06 0.88 0.91 -2.81 0.00 0.00 179.45 178.40 1whb n TRP 118 N -5.14 4.96 -2.34 1.91 7.02 0.90 -5.02 117.44 119.72 1whb n TRP 118 Ca -0.01 -3.60 -0.26 0.00 -1.02 0.00 0.00 57.50 52.61 1whb n TRP 118 Cb 0.13 -1.88 0.13 0.00 -2.42 0.00 0.00 31.31 27.27 1whb n TRP 118 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1whb s GLU 119 N -0.20 1.33 0.00 -0.99 2.12 -1.23 -4.21 118.70 115.52 1whb s GLU 119 Ca 0.36 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1whb s GLU 119 Cb -0.06 -2.16 0.00 0.00 0.26 0.00 0.00 34.13 32.18 1whb s GLU 119 CO -0.04 -1.78 0.00 -1.13 -0.54 0.00 0.00 175.26 171.77 1whb n SER 120 N -3.16 0.00 0.09 -1.70 3.41 -1.26 -4.99 113.62 106.01 1whb n SER 120 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1whb n SER 120 Cb 0.60 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 1whb n SER 120 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1whb n LYS 121 N -1.86 0.00 -2.68 4.33 4.01 -1.26 -5.10 118.16 115.60 1whb n LYS 121 Ca 0.00 0.00 -0.37 0.00 -0.51 0.00 0.00 58.31 57.43 1whb n LYS 121 Cb 0.00 -0.05 -0.06 0.00 -0.51 0.00 0.00 35.03 34.42 1whb n LYS 121 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1whb s THR 122 N -2.00 4.00 -0.18 -0.18 -4.23 -1.26 -5.05 115.64 106.73 1whb s THR 122 Ca 0.00 1.68 -0.03 0.00 -1.18 0.00 0.00 61.69 62.16 1whb s THR 122 Cb 0.00 -3.94 0.06 0.00 1.34 0.00 0.00 72.50 69.96 1whb s THR 122 CO 0.00 0.15 0.05 -0.69 -0.54 0.00 0.00 174.62 173.59 1whb s VAL 123 N -1.55 0.37 0.61 2.29 1.01 -1.26 -4.90 120.40 116.97 1whb s VAL 123 Ca 0.51 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 1whb s VAL 123 Cb -0.21 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1whb s VAL 123 CO 0.27 -0.19 1.08 -0.76 0.00 0.00 0.00 175.10 175.50 1whb s LEU 124 N 1.93 3.47 0.01 3.92 1.43 -1.26 -4.82 118.68 123.36 1whb s LEU 124 Ca 0.00 1.90 -0.26 0.00 -1.03 0.00 0.00 54.13 54.75 1whb s LEU 124 Cb -0.16 -4.54 -0.16 0.00 0.03 0.00 0.00 46.19 41.36 1whb s LEU 124 CO -0.08 -1.34 1.18 0.03 0.23 0.00 0.00 176.35 176.37 1whb h ARG 125 N 0.34 -0.61 -5.88 1.70 2.47 -1.82 -3.46 114.38 107.12 1whb h ARG 125 Ca -0.47 0.04 -0.60 0.00 -1.26 0.00 0.00 59.98 57.69 1whb h ARG 125 Cb 1.23 0.14 -0.12 0.00 -1.65 0.00 0.00 29.97 29.58 1whb h ARG 125 CO 0.56 -0.31 -0.61 -0.80 0.56 0.00 0.00 179.97 179.38 1whb s ASN 126 N -4.82 4.04 0.18 7.04 0.01 -1.25 -5.11 114.94 115.04 1whb s ASN 126 Ca -0.14 -1.16 -0.30 0.00 -0.71 0.00 0.00 52.86 50.55 1whb s ASN 126 Cb 0.02 -0.45 -0.08 0.00 0.41 0.00 0.00 41.25 41.15 1whb s ASN 126 CO 0.49 -0.34 1.32 -0.70 -1.51 0.00 0.00 177.10 176.37 1whb s GLU 127 N -3.72 4.37 0.29 -0.60 2.12 -1.26 -4.83 118.70 115.07 1whb s GLU 127 Ca 0.35 2.05 -0.29 0.00 0.36 0.00 0.00 54.97 57.45 1whb s GLU 127 Cb 0.04 -3.21 -0.13 0.00 0.26 0.00 0.00 34.13 31.09 1whb s GLU 127 CO 0.19 -0.29 1.16 -2.30 -0.54 0.00 0.00 175.26 173.48 1whb n PRO 128 N 2.92 1.68 -4.38 4.30 -0.02 -1.26 -4.82 135.00 133.42 1whb n PRO 128 Ca 0.07 0.59 -0.24 0.00 -2.02 0.00 0.00 63.50 61.90 1whb n PRO 128 Cb 0.43 -2.08 -0.09 0.00 -0.02 0.00 0.00 33.50 31.74 1whb n PRO 128 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1whb s LEU 129 N -0.08 2.91 -0.04 2.45 1.43 -1.11 -4.82 118.68 119.42 1whb s LEU 129 Ca 0.60 -0.97 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1whb s LEU 129 Cb -0.66 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1whb s LEU 129 CO 0.59 -0.15 -0.22 0.54 0.23 0.00 0.00 176.35 177.34 1whb s VAL 130 N -2.50 1.81 0.58 -1.59 0.11 -1.25 -0.91 120.40 116.65 1whb s VAL 130 Ca 0.33 -0.95 -0.20 0.00 -2.93 0.00 0.00 61.98 58.23 1whb s VAL 130 Cb -0.02 -1.53 -0.03 0.00 -1.53 0.00 0.00 36.38 33.27 1whb s VAL 130 CO 0.18 0.51 1.32 -0.22 -3.33 0.00 0.00 175.10 173.56 1whb s LEU 131 N -0.26 3.74 -0.81 2.54 2.96 -1.01 -2.61 118.68 123.23 1whb s LEU 131 Ca 0.01 2.67 -0.25 0.00 -0.22 0.00 0.00 54.13 56.34 1whb s LEU 131 Cb -0.11 -4.42 -0.03 0.00 0.50 0.00 0.00 46.19 42.13 1whb s LEU 131 CO 0.02 -1.71 1.84 -0.70 -1.32 0.00 0.00 176.35 174.48 1whb s GLU 132 N -3.10 2.70 0.00 1.98 2.12 -1.14 -2.88 118.70 118.38 1whb s GLU 132 Ca 0.76 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 56.02 1whb s GLU 132 Cb -0.38 -4.83 0.00 0.00 0.26 0.00 0.00 34.13 29.18 1whb s GLU 132 CO 0.43 -3.01 0.00 0.41 -0.54 0.00 0.00 175.26 172.55 1whb n GLY 133 N 6.42 2.26 1.35 -1.50 0.00 -1.26 -4.69 105.19 107.76 1whb n GLY 133 Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 0.94 0.17 -0.02 0.00 -1.14 -3.90 105.19 101.24 1whb n GLY 134 Ca 0.00 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.46 1.61 5.03 0.39 -2.35 116.97 122.08 1whb h TYR 135 Ca 0.00 -0.54 0.10 0.00 2.58 0.00 0.00 58.73 60.88 1whb h TYR 135 Cb 0.00 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.18 1whb h TYR 135 CO 0.00 1.38 0.32 1.49 -1.32 0.00 0.00 178.16 180.03 1whb h GLU 136 N 0.27 0.15 0.00 1.82 4.57 -1.75 -1.01 114.58 118.64 1whb h GLU 136 Ca -0.15 -0.01 -0.27 0.00 -1.18 0.00 0.00 59.36 57.75 1whb h GLU 136 Cb 1.81 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 30.32 1whb h GLU 136 CO 0.21 0.10 -1.62 -0.91 -1.18 0.00 0.00 179.01 175.62 1whb h ASN 137 N 0.16 0.00 -0.71 1.04 4.21 -1.75 -3.34 115.58 115.19 1whb h ASN 137 Ca 0.22 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.74 1whb h ASN 137 Cb 0.64 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.81 1whb h ASN 137 CO -0.03 0.95 0.47 -0.25 -1.29 0.00 0.00 177.43 177.27 1whb h TRP 138 N 0.00 0.86 -0.18 1.19 2.91 -0.63 0.14 115.95 120.24 1whb h TRP 138 Ca -0.25 0.02 -0.14 0.00 1.13 0.00 0.00 58.89 59.65 1whb h TRP 138 Cb 1.94 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 30.29 1whb h TRP 138 CO 0.00 0.53 -0.47 -0.07 -1.03 0.00 0.00 178.44 177.39 1whb h LEU 139 N 0.91 0.51 -0.24 0.65 3.38 -1.57 0.82 115.31 119.77 1whb h LEU 139 Ca 0.27 -0.24 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 1whb h LEU 139 Cb -0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1whb h LEU 139 CO -0.07 0.90 -0.91 -0.07 0.09 0.00 0.00 178.44 178.39 1whb h LEU 140 N 0.38 0.29 0.18 1.67 4.07 -1.46 -1.61 115.31 118.83 1whb h LEU 140 Ca 0.02 -0.24 -0.35 0.00 0.08 0.00 0.00 57.88 57.39 1whb h LEU 140 Cb 0.97 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 42.63 1whb h LEU 140 CO 0.09 1.05 -1.76 0.00 -1.08 0.00 0.00 178.44 176.73 1whb n TYR 142 N -3.58 -2.20 0.22 0.00 4.01 0.28 -4.98 117.16 110.91 1whb n TYR 142 Ca -0.25 -2.46 0.09 0.00 -0.16 0.00 0.00 57.90 55.12 1whb n TYR 142 Cb 1.07 0.79 0.50 0.00 -0.31 0.00 0.00 39.34 41.39 1whb n TYR 142 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1whb h PRO 143 N 5.22 0.00 -1.94 -0.72 0.13 -1.33 -3.19 132.00 130.17 1whb h PRO 143 Ca 0.16 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.76 1whb h PRO 143 Cb 0.99 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.94 1whb h PRO 143 CO 0.23 0.25 0.50 0.00 -0.23 0.00 0.00 178.00 178.75 1whb n GLN 144 N -3.59 2.41 -1.33 0.86 10.64 -1.26 -4.02 117.38 121.08 1whb n GLN 144 Ca -0.01 -2.47 -0.03 0.00 -1.83 0.00 0.00 57.00 52.66 1whb n GLN 144 Cb 0.39 -2.12 -0.02 0.00 -0.86 0.00 0.00 30.24 27.62 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 0.59 -0.09 -4.30 2.61 4.19 -1.21 -5.13 117.16 113.83 1whb n TYR 145 Ca 0.48 -0.64 -0.16 0.00 3.31 0.00 0.00 57.90 60.89 1whb n TYR 145 Cb 0.51 0.34 -0.10 0.00 0.49 0.00 0.00 39.34 40.58 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 -0.13 1.25 0.21 2.97 -4.23 -1.26 -3.35 115.64 111.10 1whb s THR 146 Ca 0.12 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 1whb s THR 146 Cb 0.16 -2.06 -0.08 0.00 1.34 0.00 0.00 72.50 71.87 1whb s THR 146 CO -0.06 -0.58 1.49 0.71 -0.54 0.00 0.00 174.62 175.64 1whb h THR 147 N 2.63 1.40 0.00 3.99 1.35 -1.34 -3.42 112.91 117.51 1whb h THR 147 Ca -0.37 -2.11 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 1whb h THR 147 Cb 1.21 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 1whb h THR 147 CO 0.64 0.63 -0.08 -3.20 -0.25 0.00 0.00 175.52 173.26 1whb n ASN 148 N -3.84 0.46 -2.37 5.36 5.15 -1.26 -5.01 115.26 113.76 1whb n ASN 148 Ca -0.03 0.06 -0.20 0.00 -0.60 0.00 0.00 54.58 53.81 1whb n ASN 148 Cb 0.67 -0.22 -0.01 0.00 -0.53 0.00 0.00 39.78 39.68 1whb n ASN 148 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1whb n ALA 149 N -2.93 -0.62 -3.39 5.20 0.00 -1.26 -4.92 120.51 112.59 1whb n ALA 149 Ca -0.01 0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.29 1whb n ALA 149 Cb 0.04 -2.15 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 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 -2.97 2.87 -3.69 0.00 5.02 -1.26 -5.02 118.16 113.11 1whb n LYS 150 Ca -0.24 -4.63 -0.14 0.00 -2.02 0.00 0.00 58.31 51.28 1whb n LYS 150 Cb 0.68 -2.32 -0.09 0.00 -0.02 0.00 0.00 35.03 33.28 1whb n LYS 150 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1whb s VAL 151 N -2.41 0.00 -0.37 -0.18 -7.23 -1.26 -5.03 120.40 103.92 1whb s VAL 151 Ca 0.36 -0.01 0.07 0.00 -1.81 0.00 0.00 61.98 60.59 1whb s VAL 151 Cb 0.10 -0.73 0.65 0.00 0.56 0.00 0.00 36.38 36.96 1whb s VAL 151 CO -0.01 -0.01 1.74 -1.54 -0.31 0.00 0.00 175.10 174.98 1whb n SER 152 N 2.71 4.27 -0.29 4.85 3.41 -1.26 -5.05 113.62 122.25 1whb n SER 152 Ca -0.14 -3.20 0.00 0.00 -0.26 0.00 0.00 58.87 55.27 1whb n SER 152 Cb 0.56 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1whb n SER 152 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whb n GLY 153 N -0.38 0.22 3.72 5.00 0.00 -1.26 -4.62 105.19 107.87 1whb n GLY 153 Ca 0.42 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1whb n GLY 153 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whb s PRO 154 N 0.00 4.41 -0.17 1.61 0.04 -1.26 -5.02 135.00 134.61 1whb s PRO 154 Ca 0.00 1.92 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 1whb s PRO 154 Cb 0.00 -3.27 0.08 0.00 0.04 0.00 0.00 34.50 31.35 1whb s PRO 154 CO 0.00 -0.26 0.20 -1.12 0.04 0.00 0.00 177.00 175.86 1whb s SER 155 N 0.72 1.25 0.10 6.66 0.01 -1.26 -5.15 113.70 116.03 1whb s SER 155 Ca 0.58 -0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.75 1whb s SER 155 Cb -0.33 0.33 -0.03 0.00 0.21 0.00 0.00 66.02 66.19 1whb s SER 155 CO 0.33 -0.30 0.05 -0.44 0.41 0.00 0.00 173.24 173.29 1whb s SER 156 N 2.31 0.34 0.00 2.44 0.01 -1.26 -5.24 113.70 112.30 1whb s SER 156 Ca 0.05 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.27 1whb s SER 156 Cb -0.15 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1whb s SER 156 CO -0.10 -0.69 0.18 0.61 0.41 0.00 0.00 173.24 173.64