#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whb n SER 2 N 0.00 1.79 -4.22 1.61 7.64 -1.26 -5.01 113.62 114.17 1whb n SER 2 Ca 0.00 -0.07 -0.15 0.00 1.01 0.00 0.00 58.87 59.67 1whb n SER 2 Cb 0.00 -0.33 -0.10 0.00 -1.01 0.00 0.00 64.21 62.76 1whb n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1whb s SER 3 N -6.49 1.71 -0.28 6.43 0.15 -1.26 -5.16 113.70 108.80 1whb s SER 3 Ca -0.30 -0.92 -0.24 0.00 0.70 0.00 0.00 55.95 55.19 1whb s SER 3 Cb 0.08 -0.01 0.10 0.00 -1.71 0.00 0.00 66.02 64.48 1whb s SER 3 CO 0.65 -0.28 0.87 -0.83 1.20 0.00 0.00 173.24 174.84 1whb s GLY 4 N -2.83 -0.35 -0.37 9.45 0.00 -1.26 -5.12 107.32 106.83 1whb s GLY 4 Ca 0.12 2.38 0.00 0.00 0.00 0.00 0.00 44.72 47.22 1whb s GLY 4 CO 0.01 1.85 0.19 -1.35 0.00 0.00 0.00 173.10 173.80 1whb s SER 5 N 0.41 3.50 -0.32 1.64 1.04 -1.26 -5.08 113.70 113.63 1whb s SER 5 Ca 0.01 -2.13 -0.02 0.00 0.48 0.00 0.00 55.95 54.28 1whb s SER 5 Cb -0.05 -0.72 0.06 0.00 0.10 0.00 0.00 66.02 65.41 1whb s SER 5 CO -0.04 -0.33 0.04 -0.55 0.98 0.00 0.00 173.24 173.34 1whb s SER 6 N 1.04 4.97 0.00 7.02 0.15 -1.26 -4.77 113.70 120.85 1whb s SER 6 Ca 0.15 -1.41 0.00 0.00 0.70 0.00 0.00 55.95 55.39 1whb s SER 6 Cb -0.22 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1whb s SER 6 CO -0.09 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1whb n GLY 7 N 4.62 1.98 2.46 9.45 0.00 -1.26 -4.60 105.19 117.83 1whb n GLY 7 Ca -0.11 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 1whb n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1whb n LYS 8 N 0.00 -1.53 0.00 1.61 0.00 -1.26 -4.91 118.16 112.07 1whb n LYS 8 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 58.31 59.37 1whb n LYS 8 Cb 0.00 -5.58 0.00 0.00 0.00 0.00 0.00 35.03 29.45 1whb n LYS 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1whb n GLU 10 N -0.04 0.00 -1.74 0.00 0.28 -1.26 -5.09 120.64 112.79 1whb n GLU 10 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 1whb n GLU 10 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1whb n GLU 10 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1whb s THR 11 N -1.26 3.15 0.22 3.84 2.01 -1.26 -4.81 115.64 117.53 1whb s THR 11 Ca 0.00 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.13 1whb s THR 11 Cb 0.00 -3.33 -0.06 0.00 0.01 0.00 0.00 72.50 69.12 1whb s THR 11 CO 0.00 -0.30 1.53 0.11 -0.69 0.00 0.00 174.62 175.26 1whb h LYS 12 N 17.08 0.30 -7.12 4.92 1.79 -1.98 -3.45 116.57 128.11 1whb h LYS 12 Ca -0.28 -0.22 -0.43 0.00 -2.18 0.00 0.00 60.65 57.55 1whb h LYS 12 Cb 1.23 0.03 0.22 0.00 -1.58 0.00 0.00 32.23 32.13 1whb h LYS 12 CO 1.14 0.83 -0.02 -2.00 -1.08 0.00 0.00 179.45 178.32 1whb s GLU 13 N -3.75 -1.27 -0.26 3.15 2.56 -1.26 -4.96 118.70 112.92 1whb s GLU 13 Ca -0.05 0.79 0.10 0.00 0.00 0.00 0.00 54.97 55.81 1whb s GLU 13 Cb 0.12 -1.52 0.47 0.00 2.00 0.00 0.00 34.13 35.20 1whb s GLU 13 CO 0.81 -3.94 1.36 0.36 -0.56 0.00 0.00 175.26 173.28 1whb n LYS 14 N -5.07 1.75 -1.86 4.30 -0.00 -1.26 -4.65 118.16 111.37 1whb n LYS 14 Ca 0.02 -3.26 -0.01 0.00 -0.00 0.00 0.00 58.31 55.06 1whb n LYS 14 Cb 0.54 -1.74 0.04 0.00 -0.00 0.00 0.00 35.03 33.88 1whb n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1whb n GLY 15 N -1.12 0.11 2.98 2.58 0.00 -1.26 -4.92 105.19 103.56 1whb n GLY 15 Ca 0.27 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 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 0.05 0.88 0.01 4.61 0.00 -1.26 -2.37 121.76 123.67 1whb s ALA 16 Ca 0.03 -0.27 0.07 0.00 0.00 0.00 0.00 51.96 51.79 1whb s ALA 16 Cb 0.16 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1whb s ALA 16 CO -0.05 0.10 -0.22 -1.50 0.00 0.00 0.00 175.76 174.09 1whb s ILE 17 N 0.45 2.42 0.45 0.00 2.07 0.13 -4.80 121.20 121.91 1whb s ILE 17 Ca -0.07 -1.13 0.02 0.00 -1.41 0.00 0.00 60.65 58.05 1whb s ILE 17 Cb -0.11 -1.93 0.00 0.00 0.13 0.00 0.00 42.46 40.55 1whb s ILE 17 CO 0.01 0.47 0.65 0.42 -1.91 0.00 0.00 174.94 174.59 1whb s THR 18 N -0.75 3.81 0.39 4.00 -4.23 -1.26 -0.64 115.64 116.95 1whb s THR 18 Ca 0.12 -0.60 0.07 0.00 -1.18 0.00 0.00 61.69 60.09 1whb s THR 18 Cb -0.10 -3.39 0.23 0.00 1.34 0.00 0.00 72.50 70.57 1whb s THR 18 CO 0.01 -0.26 2.00 0.00 -0.54 0.00 0.00 174.62 175.84 1whb h ALA 19 N 0.43 1.60 -0.05 3.99 0.00 -1.97 -0.84 119.26 122.43 1whb h ALA 19 Ca -0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1whb h ALA 19 Cb 1.26 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1whb h ALA 19 CO 0.56 0.32 -0.00 -0.22 0.00 0.00 0.00 179.25 179.91 1whb h LYS 20 N 0.52 0.09 -0.44 0.00 3.11 -1.99 0.60 116.57 118.45 1whb h LYS 20 Ca 0.13 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.88 1whb h LYS 20 Cb 0.07 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.27 1whb h LYS 20 CO -0.02 0.38 0.01 1.49 -2.81 0.00 0.00 179.45 178.50 1whb h GLU 21 N -0.21 0.72 -0.25 1.90 4.81 -1.89 -2.53 114.58 117.13 1whb h GLU 21 Ca 0.01 -0.18 -0.17 0.00 -0.13 0.00 0.00 59.36 58.90 1whb h GLU 21 Cb 0.34 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1whb h GLU 21 CO 0.00 0.72 -0.53 1.25 -0.73 0.00 0.00 179.01 179.73 1whb h LEU 22 N 0.68 0.80 -0.97 1.64 5.85 -1.07 -2.47 115.31 119.77 1whb h LEU 22 Ca 0.14 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1whb h LEU 22 Cb 0.40 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1whb h LEU 22 CO 0.01 1.17 0.45 0.22 -0.34 0.00 0.00 178.44 179.96 1whb h TYR 23 N 0.56 1.16 0.08 1.25 3.20 -0.59 -0.16 116.97 122.47 1whb h TYR 23 Ca 0.02 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1whb h TYR 23 Cb 1.10 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1whb h TYR 23 CO 0.06 0.81 -0.04 1.15 -1.64 0.00 0.00 178.16 178.50 1whb h THR 24 N 1.18 1.18 -0.17 1.81 2.02 -1.41 -2.14 112.91 115.39 1whb h THR 24 Ca 0.30 -1.02 0.01 0.00 0.77 0.00 0.00 66.41 66.47 1whb h THR 24 Cb 0.04 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1whb h THR 24 CO -0.05 0.25 0.12 0.24 0.37 0.00 0.00 175.52 176.45 1whb h MET 25 N -0.58 0.17 0.14 6.66 2.86 -1.33 0.23 114.93 123.09 1whb h MET 25 Ca -0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1whb h MET 25 Cb 0.48 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1whb h MET 25 CO 0.02 0.11 -0.07 0.52 1.06 0.00 0.00 176.91 178.55 1whb h MET 26 N 0.17 -0.18 -0.05 1.72 2.07 -0.96 -3.22 114.93 114.49 1whb h MET 26 Ca 0.07 0.01 -0.08 0.00 -2.07 0.00 0.00 59.70 57.63 1whb h MET 26 Cb 0.07 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.83 1whb h MET 26 CO -0.01 0.24 -0.35 1.79 1.07 0.00 0.00 176.91 179.64 1whb h THR 27 N -0.68 1.27 -2.86 2.22 1.35 -1.06 -3.44 112.91 109.70 1whb h THR 27 Ca -0.02 -1.28 -0.53 0.00 -0.55 0.00 0.00 66.41 64.03 1whb h THR 27 Cb 0.50 1.63 0.07 0.00 -1.73 0.00 0.00 68.15 68.62 1whb h THR 27 CO 0.03 0.37 0.97 -0.67 -0.25 0.00 0.00 175.52 175.97 1whb n ASP 28 N -4.10 3.95 -2.21 5.36 2.03 0.78 -4.89 116.55 117.46 1whb n ASP 28 Ca -0.02 1.09 -0.25 0.00 0.52 0.00 0.00 54.79 56.14 1whb n ASP 28 Cb 0.41 -1.58 0.17 0.00 -0.72 0.00 0.00 41.12 39.40 1whb n ASP 28 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1whb n LYS 29 N 3.34 2.29 0.09 -0.67 0.00 -1.26 -4.50 118.16 117.46 1whb n LYS 29 Ca 0.13 -3.05 0.00 0.00 0.00 0.00 0.00 58.31 55.39 1whb n LYS 29 Cb 0.35 -2.18 0.00 0.00 0.00 0.00 0.00 35.03 33.20 1whb n LYS 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1whb n ASN 30 N -1.12 0.33 -4.60 3.14 3.02 -1.26 -5.02 115.26 109.75 1whb n ASN 30 Ca 0.60 0.31 -0.43 0.00 -0.03 0.00 0.00 54.58 55.02 1whb n ASN 30 Cb 1.54 0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 40.77 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 -1.88 3.94 0.79 2.41 1.01 -1.26 -5.00 121.20 121.21 1whb s ILE 31 Ca 0.00 0.96 -0.13 0.00 0.00 0.00 0.00 60.65 61.48 1whb s ILE 31 Cb 0.00 -4.27 0.07 0.00 0.01 0.00 0.00 42.46 38.27 1whb s ILE 31 CO 0.00 -0.81 1.15 -0.44 0.00 0.00 0.00 174.94 174.84 1whb s SER 32 N 3.73 3.98 -0.25 3.58 0.01 -1.26 -4.82 113.70 118.67 1whb s SER 32 Ca 0.59 2.15 -0.26 0.00 1.31 0.00 0.00 55.95 59.74 1whb s SER 32 Cb -0.12 -2.56 0.11 0.00 0.21 0.00 0.00 66.02 63.65 1whb s SER 32 CO 0.33 -2.39 0.96 -0.22 0.41 0.00 0.00 173.24 172.32 1whb s LEU 33 N -5.72 -0.49 -0.02 2.44 2.96 -1.26 -2.60 118.68 114.00 1whb s LEU 33 Ca 0.68 0.88 0.04 0.00 -0.22 0.00 0.00 54.13 55.51 1whb s LEU 33 Cb -0.24 2.00 -0.01 0.00 0.50 0.00 0.00 46.19 48.45 1whb s LEU 33 CO 0.51 -0.22 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.56 1whb s ILE 34 N -0.03 1.08 0.08 6.68 1.01 -1.15 -5.00 121.20 123.88 1whb s ILE 34 Ca 0.01 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.17 1whb s ILE 34 Cb -0.04 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 1whb s ILE 34 CO -0.03 0.31 -0.14 -0.63 0.00 0.00 0.00 174.94 174.45 1whb s ILE 35 N -0.15 3.10 0.06 2.92 1.01 -1.26 0.21 121.20 127.09 1whb s ILE 35 Ca 0.02 -1.24 0.03 0.00 0.00 0.00 0.00 60.65 59.45 1whb s ILE 35 Cb -0.07 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 1whb s ILE 35 CO 0.00 0.21 -0.09 -0.04 0.00 0.00 0.00 174.94 175.03 1whb s MET 36 N -1.86 0.65 -0.51 2.79 -1.94 -1.03 0.10 119.30 117.51 1whb s MET 36 Ca 0.18 -0.92 -0.03 0.00 -1.71 0.00 0.00 55.69 53.21 1whb s MET 36 Cb -0.11 -0.36 0.13 0.00 2.01 0.00 0.00 34.83 36.51 1whb s MET 36 CO 0.09 0.06 0.31 -0.51 -0.01 0.00 0.00 175.02 174.96 1whb s ASP 37 N -1.94 5.24 -1.06 3.03 1.11 -0.86 -1.27 116.67 120.93 1whb s ASP 37 Ca -0.04 -2.41 -0.15 0.00 0.18 0.00 0.00 52.55 50.13 1whb s ASP 37 Cb -0.07 -1.84 0.17 0.00 1.07 0.00 0.00 42.92 42.25 1whb s ASP 37 CO -0.00 -0.47 1.23 0.00 1.18 0.00 0.00 175.17 177.11 1whb s ALA 38 N 0.59 3.82 0.31 5.23 0.00 -1.25 -3.28 121.76 127.19 1whb s ALA 38 Ca 0.12 -3.16 0.00 0.00 0.00 0.00 0.00 51.96 48.92 1whb s ALA 38 Cb -0.22 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 18.91 1whb s ALA 38 CO -0.04 -2.77 0.00 0.54 0.00 0.00 0.00 175.76 173.50 1whb n ARG 39 N 5.61 0.00 -2.65 0.00 3.00 -1.26 -4.69 116.66 116.67 1whb n ARG 39 Ca 0.29 0.00 0.01 0.00 -0.01 0.00 0.00 57.85 58.14 1whb n ARG 39 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.92 1whb n ARG 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1whb n ARG 40 N -3.36 0.03 -0.02 5.56 0.63 -1.26 -4.23 116.66 114.01 1whb n ARG 40 Ca 0.00 -0.22 -0.18 0.00 -0.92 0.00 0.00 57.85 56.54 1whb n ARG 40 Cb 0.00 0.39 -0.14 0.00 0.45 0.00 0.00 32.46 33.16 1whb n ARG 40 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1whb n MET 41 N -0.33 0.72 0.13 -0.14 1.56 -1.26 -3.86 117.12 113.93 1whb n MET 41 Ca 0.02 0.25 -0.01 0.00 -0.27 0.00 0.00 57.70 57.69 1whb n MET 41 Cb 0.20 -1.70 0.24 0.00 2.15 0.00 0.00 33.22 34.11 1whb n MET 41 CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 1whb h GLN 42 N 0.05 0.12 -0.36 2.12 5.75 -1.99 -2.85 115.11 117.94 1whb h GLN 42 Ca -0.41 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 57.97 1whb h GLN 42 Cb 2.03 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.56 1whb h GLN 42 CO 0.07 0.56 -0.00 -0.44 -2.65 0.00 0.00 178.83 176.36 1whb h ASP 43 N 0.10 0.63 -0.78 -0.69 3.32 -1.90 -1.67 116.42 115.43 1whb h ASP 43 Ca 0.00 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1whb h ASP 43 Cb 0.86 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 1whb h ASP 43 CO 0.07 0.79 0.35 0.22 -1.72 0.00 0.00 179.24 178.94 1whb h TYR 44 N 0.45 1.15 -0.13 4.55 3.20 -1.60 0.68 116.97 125.27 1whb h TYR 44 Ca 0.10 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1whb h TYR 44 Cb 0.47 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1whb h TYR 44 CO 0.04 0.85 -0.32 1.96 -1.64 0.00 0.00 178.16 179.05 1whb h GLN 45 N 1.12 0.25 0.00 1.82 4.20 -1.39 -3.30 115.11 117.81 1whb h GLN 45 Ca 0.27 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1whb h GLN 45 Cb 0.16 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1whb h GLN 45 CO -0.03 0.55 -0.22 -0.44 -0.67 0.00 0.00 178.83 178.02 1whb h ASP 46 N 0.22 0.00 -4.31 1.46 5.19 -0.79 -3.48 116.42 114.71 1whb h ASP 46 Ca 0.03 -0.30 -0.42 0.00 -0.62 0.00 0.00 57.03 55.72 1whb h ASP 46 Cb 0.68 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 39.94 1whb h ASP 46 CO 0.05 0.77 -0.79 -0.44 -3.12 0.00 0.00 179.24 175.72 1whb s SER 47 N -5.88 1.49 -0.27 6.45 0.01 0.23 -4.69 113.70 111.04 1whb s SER 47 Ca -0.10 -0.41 -0.26 0.00 1.31 0.00 0.00 55.95 56.49 1whb s SER 47 Cb 0.00 -0.10 0.14 0.00 0.21 0.00 0.00 66.02 66.28 1whb s SER 47 CO 0.27 0.03 1.15 0.00 0.41 0.00 0.00 173.24 175.10 1whb s ILE 49 N -0.10 3.41 0.26 0.00 1.01 -1.26 -2.25 121.20 122.27 1whb s ILE 49 Ca 0.04 1.09 -0.30 0.00 0.00 0.00 0.00 60.65 61.48 1whb s ILE 49 Cb -0.04 -3.57 -0.11 0.00 0.01 0.00 0.00 42.46 38.75 1whb s ILE 49 CO -0.08 0.02 1.51 -0.76 0.00 0.00 0.00 174.94 175.63 1whb s LEU 50 N -2.74 4.37 -1.35 2.97 1.43 -1.22 -2.46 118.68 119.68 1whb s LEU 50 Ca 0.60 2.78 -0.09 0.00 -1.03 0.00 0.00 54.13 56.39 1whb s LEU 50 Cb -0.26 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.35 1whb s LEU 50 CO 0.32 -0.80 1.18 1.41 0.23 0.00 0.00 176.35 178.70 1whb n HIS 51 N 2.35 -2.88 -4.38 0.29 8.25 -1.26 -5.00 115.22 112.58 1whb n HIS 51 Ca 0.08 1.01 -0.26 0.00 -0.26 0.00 0.00 57.72 58.29 1whb n HIS 51 Cb 0.39 -5.03 -0.10 0.00 1.12 0.00 0.00 29.99 26.36 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 -3.33 3.79 0.47 0.41 1.04 -1.03 -4.73 113.70 110.32 1whb s SER 52 Ca 0.58 -0.80 -0.01 0.00 0.48 0.00 0.00 55.95 56.20 1whb s SER 52 Cb -0.26 -0.45 -0.01 0.00 0.10 0.00 0.00 66.02 65.41 1whb s SER 52 CO 0.73 0.09 0.72 -0.22 0.98 0.00 0.00 173.24 175.53 1whb s LEU 53 N -2.97 3.59 0.28 2.42 2.96 0.29 -4.95 118.68 120.29 1whb s LEU 53 Ca 0.25 0.43 0.07 0.00 -0.22 0.00 0.00 54.13 54.65 1whb s LEU 53 Cb -0.07 -3.30 -0.06 0.00 0.50 0.00 0.00 46.19 43.26 1whb s LEU 53 CO 0.13 -0.74 -0.06 -0.55 -1.32 0.00 0.00 176.35 173.82 1whb s SER 54 N -4.21 2.73 -0.30 3.68 0.15 -1.26 -2.02 113.70 112.47 1whb s SER 54 Ca 0.49 -1.19 -0.12 0.00 0.70 0.00 0.00 55.95 55.83 1whb s SER 54 Cb -0.10 -0.16 0.17 0.00 -1.71 0.00 0.00 66.02 64.22 1whb s SER 54 CO 0.40 -0.35 0.96 0.54 1.20 0.00 0.00 173.24 175.99 1whb s VAL 55 N -3.02 -0.50 0.26 4.45 0.11 -1.21 -4.74 120.40 115.76 1whb s VAL 55 Ca 0.29 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.04 1whb s VAL 55 Cb 0.04 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.78 1whb s VAL 55 CO 0.12 0.00 1.46 -2.16 -3.33 0.00 0.00 175.10 171.19 1whb s PRO 56 N 2.77 4.24 0.48 1.54 0.04 -1.26 -4.11 135.00 138.69 1whb s PRO 56 Ca 0.02 2.35 0.15 0.00 0.04 0.00 0.00 61.00 63.55 1whb s PRO 56 Cb -0.10 -3.09 1.14 0.00 0.04 0.00 0.00 34.50 32.50 1whb s PRO 56 CO -0.15 -0.45 2.08 1.49 0.04 0.00 0.00 177.00 180.01 1whb h GLU 57 N 4.92 0.20 -0.13 4.56 4.81 -1.83 -0.88 114.58 126.24 1whb h GLU 57 Ca -0.46 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1whb h GLU 57 Cb 1.22 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1whb h GLU 57 CO 0.77 0.13 0.04 0.93 -0.73 0.00 0.00 179.01 180.16 1whb h GLU 58 N 0.21 0.18 0.01 1.92 5.08 -1.90 -1.86 114.58 118.22 1whb h GLU 58 Ca 0.11 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.26 1whb h GLU 58 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1whb h GLU 58 CO -0.02 0.17 -0.90 0.00 -1.00 0.00 0.00 179.01 177.26 1whb h ALA 59 N 1.87 0.50 -1.90 3.43 0.00 -1.44 -3.42 119.26 118.30 1whb h ALA 59 Ca 0.05 -0.75 -0.62 0.00 0.00 0.00 0.00 54.91 53.59 1whb h ALA 59 Cb 0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.64 1whb h ALA 59 CO -0.00 0.97 0.49 0.42 0.00 0.00 0.00 179.25 181.12 1whb s ILE 60 N -3.11 4.50 0.26 0.00 1.01 -0.70 -4.58 121.20 118.57 1whb s ILE 60 Ca -0.02 0.34 0.09 0.00 0.00 0.00 0.00 60.65 61.06 1whb s ILE 60 Cb 0.10 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1whb s ILE 60 CO 0.82 -0.95 0.06 -0.44 0.00 0.00 0.00 174.94 174.43 1whb s SER 61 N 2.57 4.85 -0.64 3.58 0.01 -1.26 -4.91 113.70 117.90 1whb s SER 61 Ca 0.30 -0.51 -0.27 0.00 1.31 0.00 0.00 55.95 56.79 1whb s SER 61 Cb -0.12 -1.02 -0.01 0.00 0.21 0.00 0.00 66.02 65.07 1whb s SER 61 CO 0.21 -0.00 1.75 -2.16 0.41 0.00 0.00 173.24 173.44 1whb s PRO 62 N -3.68 2.73 0.00 12.44 0.04 -1.26 -3.64 135.00 141.63 1whb s PRO 62 Ca 0.32 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1whb s PRO 62 Cb -0.07 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1whb s PRO 62 CO 0.21 -2.63 0.00 0.41 0.04 0.00 0.00 177.00 175.04 1whb n GLY 63 N 5.65 0.87 3.52 0.56 0.00 -1.26 -5.07 105.19 109.46 1whb n GLY 63 Ca 0.17 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.91 1.02 0.44 1.61 -7.23 -1.24 -5.17 120.40 107.93 1whb s VAL 64 Ca 0.00 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 1whb s VAL 64 Cb 0.00 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1whb s VAL 64 CO 0.00 0.00 0.21 0.42 -0.31 0.00 0.00 175.10 175.42 1whb s THR 65 N -3.18 2.12 0.50 5.32 -4.23 -1.26 -4.35 115.64 110.57 1whb s THR 65 Ca 0.28 -1.67 0.15 0.00 -1.18 0.00 0.00 61.69 59.28 1whb s THR 65 Cb 0.06 -2.79 0.28 0.00 1.34 0.00 0.00 72.50 71.39 1whb s THR 65 CO 0.14 0.00 2.12 0.00 -0.54 0.00 0.00 174.62 176.34 1whb h ALA 66 N 1.28 2.00 -0.26 3.99 0.00 -1.64 -1.25 119.26 123.38 1whb h ALA 66 Ca -0.42 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1whb h ALA 66 Cb 1.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1whb h ALA 66 CO 0.68 -0.02 -0.22 1.03 0.00 0.00 0.00 179.25 180.72 1whb h SER 67 N 0.09 0.49 0.53 0.00 0.87 -1.91 -1.69 113.55 111.93 1whb h SER 67 Ca 0.05 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.43 1whb h SER 67 Cb 0.08 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1whb h SER 67 CO -0.01 0.71 -0.25 -0.25 -0.53 0.00 0.00 176.83 176.50 1whb h TRP 68 N 0.44 -0.66 -0.94 2.24 2.91 -1.62 -2.18 115.95 116.14 1whb h TRP 68 Ca 0.07 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 1whb h TRP 68 Cb 0.63 0.22 -0.05 0.00 -0.51 0.00 0.00 29.16 29.45 1whb h TRP 68 CO 0.02 -0.36 0.58 0.82 -1.03 0.00 0.00 178.44 178.48 1whb h ILE 69 N -0.85 1.25 -0.17 2.65 2.04 -1.53 -1.65 117.51 119.25 1whb h ILE 69 Ca -0.07 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.29 1whb h ILE 69 Cb 0.60 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1whb h ILE 69 CO 0.12 0.26 0.12 -0.08 0.00 0.00 0.00 178.15 178.56 1whb h GLU 70 N 1.29 0.14 0.02 2.37 4.81 -1.22 -1.78 114.58 120.20 1whb h GLU 70 Ca 0.34 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.32 1whb h GLU 70 Cb -0.09 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.27 1whb h GLU 70 CO -0.07 0.09 -1.00 0.00 -0.73 0.00 0.00 179.01 177.30 1whb h ALA 71 N 1.90 0.28 -3.09 2.92 0.00 -0.65 -3.39 119.26 117.24 1whb h ALA 71 Ca 0.07 -0.72 -0.71 0.00 0.00 0.00 0.00 54.91 53.55 1whb h ALA 71 Cb 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.57 1whb h ALA 71 CO -0.01 0.80 -0.27 -1.01 0.00 0.00 0.00 179.25 178.75 1whb s HIS 72 N -3.21 3.51 0.13 0.00 3.76 -0.67 -5.04 115.29 113.77 1whb s HIS 72 Ca -0.07 -2.70 -0.15 0.00 -0.15 0.00 0.00 55.06 51.99 1whb s HIS 72 Cb 0.08 -3.27 0.03 0.00 1.11 0.00 0.00 32.58 30.53 1whb s HIS 72 CO 0.88 -0.84 0.39 -0.51 -0.85 0.00 0.00 174.74 173.82 1whb s LEU 73 N -0.27 0.48 0.00 0.89 1.43 -1.23 -4.72 118.68 115.25 1whb s LEU 73 Ca 0.19 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 1whb s LEU 73 Cb -0.17 1.77 0.10 0.00 0.03 0.00 0.00 46.19 47.93 1whb s LEU 73 CO -0.05 -0.87 0.24 -2.65 0.23 0.00 0.00 176.35 173.25 1whb n PRO 74 N -0.22 -1.27 -0.03 1.29 -0.02 -1.26 -4.82 135.00 128.67 1whb n PRO 74 Ca -0.15 -0.40 -0.00 0.00 -2.02 0.00 0.00 63.50 60.93 1whb n PRO 74 Cb 0.63 -0.68 -0.00 0.00 -0.02 0.00 0.00 33.50 33.43 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 -2.24 -0.02 0.80 2.55 3.58 -2.01 -3.29 116.42 115.79 1whb h ASP 75 Ca -0.11 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.22 1whb h ASP 75 Cb 0.36 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 1whb h ASP 75 CO 0.06 0.34 -0.59 -0.78 -2.88 0.00 0.00 179.24 175.40 1whb h ASP 76 N -0.75 0.00 -0.03 2.28 1.82 -2.02 -3.09 116.42 114.63 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 0.02 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.03 1whb h ASP 76 CO 0.00 0.59 0.02 -1.28 -1.61 0.00 0.00 179.24 176.96 1whb h SER 77 N 0.00 0.04 -0.07 2.28 0.87 -1.92 -1.31 113.55 113.44 1whb h SER 77 Ca -0.01 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1whb h SER 77 Cb 1.14 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1whb h SER 77 CO 0.08 0.03 0.05 0.11 -0.53 0.00 0.00 176.83 176.56 1whb h LYS 78 N 0.04 0.02 0.65 2.24 1.57 -1.60 -1.02 116.57 118.48 1whb h LYS 78 Ca 0.01 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1whb h LYS 78 Cb -0.00 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.31 1whb h LYS 78 CO -0.00 0.01 -0.31 -0.44 -0.57 0.00 0.00 179.45 178.14 1whb h ASP 79 N 0.02 -0.74 -0.51 0.86 3.32 -1.41 -2.65 116.42 115.31 1whb h ASP 79 Ca 0.03 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.16 1whb h ASP 79 Cb 0.10 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1whb h ASP 79 CO -0.00 -0.36 0.34 0.74 -1.72 0.00 0.00 179.24 178.24 1whb h THR 80 N -1.23 1.00 -0.05 0.35 2.02 -1.58 -0.58 112.91 112.85 1whb h THR 80 Ca -0.09 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1whb h THR 80 Cb 0.67 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1whb h THR 80 CO 0.15 0.09 -0.15 -0.25 0.37 0.00 0.00 175.52 175.73 1whb h TRP 81 N 0.50 0.08 0.00 3.16 2.91 -1.18 -1.72 115.95 119.70 1whb h TRP 81 Ca 0.22 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.20 1whb h TRP 81 Cb 0.23 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 28.85 1whb h TRP 81 CO -0.00 0.23 -0.14 0.87 -1.03 0.00 0.00 178.44 178.36 1whb h LYS 82 N 0.07 0.00 -0.30 2.65 1.57 -0.73 -3.10 116.57 116.73 1whb h LYS 82 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1whb h LYS 82 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1whb h LYS 82 CO 0.02 0.14 0.00 1.63 -0.57 0.00 0.00 179.45 180.67 1whb n LYS 83 N -3.15 1.70 -0.24 3.15 5.02 -0.65 -4.20 118.16 119.79 1whb n LYS 83 Ca 0.03 -1.08 0.10 0.00 -2.02 0.00 0.00 58.31 55.34 1whb n LYS 83 Cb 0.56 -1.24 0.37 0.00 -0.02 0.00 0.00 35.03 34.71 1whb n LYS 83 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1whb h ARG 84 N 1.76 0.68 -0.29 1.97 2.43 -1.49 0.16 114.38 119.61 1whb h ARG 84 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1whb h ARG 84 Cb 0.40 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1whb h ARG 84 CO 0.00 0.45 0.00 0.41 -1.51 0.00 0.00 179.97 179.32 1whb n GLY 85 N -1.44 0.35 0.08 2.80 0.00 -1.26 -3.74 105.19 101.98 1whb n GLY 85 Ca 0.15 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1whb n GLY 85 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1whb n ASN 86 N 0.34 1.24 -3.82 1.61 2.85 0.55 -4.89 115.26 113.14 1whb n ASN 86 Ca 0.10 -0.01 -0.29 0.00 -0.11 0.00 0.00 54.58 54.27 1whb n ASN 86 Cb 0.24 0.82 0.22 0.00 1.24 0.00 0.00 39.78 42.30 1whb n ASN 86 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1whb n VAL 87 N -2.60 0.00 -0.06 3.44 0.24 -1.09 -5.00 118.33 113.26 1whb n VAL 87 Ca -0.26 -0.86 -0.06 0.00 -2.04 0.00 0.00 64.34 61.12 1whb n VAL 87 Cb 1.00 -1.45 -0.09 0.00 -1.47 0.00 0.00 33.84 31.83 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 -4.05 1.93 -4.22 7.34 4.71 -1.25 -4.67 120.64 120.43 1whb n GLU 88 Ca 0.16 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.19 1whb n GLU 88 Cb 0.58 -1.30 -0.10 0.00 -1.01 0.00 0.00 31.44 29.61 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 -2.28 1.16 0.04 -0.32 2.02 -1.07 -3.72 117.35 113.17 1whb s TYR 89 Ca -0.07 -1.12 -0.00 0.00 -0.37 0.00 0.00 57.07 55.50 1whb s TYR 89 Cb 0.04 -0.66 -0.03 0.00 -0.40 0.00 0.00 41.96 40.91 1whb s TYR 89 CO 0.46 -0.33 -0.03 0.08 -1.57 0.00 0.00 175.55 174.15 1whb s VAL 90 N -3.80 0.17 0.06 0.71 1.01 -1.26 -2.92 120.40 114.37 1whb s VAL 90 Ca 0.27 -1.35 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1whb s VAL 90 Cb 0.07 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1whb s VAL 90 CO 0.05 -0.74 0.13 -0.69 0.00 0.00 0.00 175.10 173.85 1whb s VAL 91 N -2.66 0.15 0.48 2.92 1.01 0.13 -2.50 120.40 119.93 1whb s VAL 91 Ca -0.05 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.73 1whb s VAL 91 Cb -0.01 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1whb s VAL 91 CO -0.05 -0.68 0.08 -0.76 0.00 0.00 0.00 175.10 173.69 1whb s LEU 92 N -2.57 2.08 0.21 3.92 1.43 -0.55 -2.45 118.68 120.74 1whb s LEU 92 Ca 0.01 -1.73 -0.03 0.00 -1.03 0.00 0.00 54.13 51.35 1whb s LEU 92 Cb 0.03 -0.35 -0.03 0.00 0.03 0.00 0.00 46.19 45.87 1whb s LEU 92 CO -0.08 -0.97 0.19 -0.76 0.23 0.00 0.00 176.35 174.96 1whb s LEU 93 N -3.76 1.02 0.00 1.79 1.43 -0.39 -2.45 118.68 116.31 1whb s LEU 93 Ca 0.12 -1.29 -0.25 0.00 -1.03 0.00 0.00 54.13 51.67 1whb s LEU 93 Cb 0.01 0.64 0.09 0.00 0.03 0.00 0.00 46.19 46.95 1whb s LEU 93 CO 0.08 -0.89 1.17 -0.90 0.23 0.00 0.00 176.35 176.03 1whb n ASP 94 N -0.28 -1.48 -0.12 2.29 5.75 -1.26 -3.76 116.55 117.68 1whb n ASP 94 Ca 0.01 -1.59 -0.26 0.00 -0.01 0.00 0.00 54.79 52.94 1whb n ASP 94 Cb 0.65 2.37 -0.11 0.00 -1.03 0.00 0.00 41.12 43.00 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 -0.83 0.47 -3.00 2.11 5.03 -1.26 0.11 117.44 120.06 1whb n TRP 95 Ca 0.01 0.20 -0.14 0.00 3.03 0.00 0.00 57.50 60.60 1whb n TRP 95 Cb 0.59 -1.05 -0.03 0.00 -1.03 0.00 0.00 31.31 29.79 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 -4.30 -2.58 -3.60 -5.99 3.72 -1.25 -4.29 117.46 99.16 1whb n PHE 96 Ca -0.44 -2.21 -0.03 0.00 -0.05 0.00 0.00 57.45 54.72 1whb n PHE 96 Cb 0.80 0.96 -0.02 0.00 -0.94 0.00 0.00 39.48 40.28 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 0.21 -0.11 0.36 4.37 1.04 -1.25 -5.11 113.70 113.20 1whb s SER 97 Ca 0.32 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.73 1whb s SER 97 Cb 0.05 0.14 -0.00 0.00 0.10 0.00 0.00 66.02 66.30 1whb s SER 97 CO -0.12 -0.23 0.45 -1.20 0.98 0.00 0.00 173.24 173.11 1whb n SER 98 N -0.16 -1.23 0.12 7.02 7.64 -1.26 -3.85 113.62 121.89 1whb n SER 98 Ca -0.01 -3.04 0.15 0.00 1.01 0.00 0.00 58.87 56.98 1whb n SER 98 Cb 0.59 2.39 0.68 0.00 -1.01 0.00 0.00 64.21 66.87 1whb n SER 98 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1whb h ALA 99 N 2.07 2.25 0.00 -0.43 0.00 -1.85 0.19 119.26 121.48 1whb h ALA 99 Ca -0.27 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 1whb h ALA 99 Cb 1.23 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1whb h ALA 99 CO 0.37 -0.37 -0.91 1.57 0.00 0.00 0.00 179.25 179.91 1whb h LYS 100 N 0.00 0.00 0.00 0.00 2.10 -1.95 -3.19 116.57 113.52 1whb h LYS 100 Ca 0.14 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.76 1whb h LYS 100 Cb 0.58 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1whb h LYS 100 CO -0.00 0.91 -0.14 0.22 -2.00 0.00 0.00 179.45 178.44 1whb h ASP 101 N 0.00 0.00 -2.04 7.07 3.58 -1.37 -3.45 116.42 120.21 1whb h ASP 101 Ca -0.01 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.82 1whb h ASP 101 Cb 1.63 0.00 0.05 0.00 1.72 0.00 0.00 39.33 42.73 1whb h ASP 101 CO 0.12 0.14 0.75 0.18 -2.88 0.00 0.00 179.24 177.55 1whb n LEU 102 N -3.19 2.71 -0.02 2.28 4.77 -0.80 -4.91 117.00 117.84 1whb n LEU 102 Ca 0.02 1.08 -0.02 0.00 -0.03 0.00 0.00 56.01 57.06 1whb n LEU 102 Cb 0.49 -1.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.23 1whb n LEU 102 CO 0.33 -0.47 -0.16 0.00 -1.33 0.00 0.00 177.39 175.76 1whb n GLN 103 N 3.70 0.13 0.00 3.23 6.02 -1.26 -5.07 117.38 124.13 1whb n GLN 103 Ca 0.19 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1whb n GLN 103 Cb 0.25 -0.65 0.00 0.00 1.02 0.00 0.00 30.24 30.87 1whb n GLN 103 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1whb n ILE 104 N -3.03 0.00 -1.26 5.09 3.06 -1.26 -4.96 119.36 117.00 1whb n ILE 104 Ca -0.03 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.14 1whb n ILE 104 Cb 0.12 0.00 0.22 0.00 0.54 0.00 0.00 39.64 40.53 1whb n ILE 104 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1whb n GLY 105 N -0.56 4.46 3.88 4.50 0.00 -1.26 -4.40 105.19 111.81 1whb n GLY 105 Ca 0.00 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.15 4.95 0.49 2.61 -4.23 -1.26 -4.80 115.64 110.24 1whb s THR 106 Ca 0.49 0.43 0.16 0.00 -1.18 0.00 0.00 61.69 61.58 1whb s THR 106 Cb 0.42 -3.62 0.30 0.00 1.34 0.00 0.00 72.50 70.94 1whb s THR 106 CO 0.06 -0.07 2.09 0.74 -0.54 0.00 0.00 174.62 176.90 1whb h THR 107 N 1.99 0.96 -0.01 3.99 2.02 -1.94 0.19 112.91 120.11 1whb h THR 107 Ca -0.47 -0.05 -0.12 0.00 0.77 0.00 0.00 66.41 66.54 1whb h THR 107 Cb 1.17 0.79 0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1whb h THR 107 CO 0.69 0.03 -0.46 -0.07 0.37 0.00 0.00 175.52 176.08 1whb h LEU 108 N 0.16 0.43 0.29 2.58 3.38 -1.93 -2.60 115.31 117.60 1whb h LEU 108 Ca 0.10 -0.75 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 1whb h LEU 108 Cb 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1whb h LEU 108 CO -0.02 1.12 -0.14 -0.09 0.09 0.00 0.00 178.44 179.40 1whb h ARG 109 N -0.22 -0.37 -0.51 1.13 9.65 -1.76 0.81 114.38 123.10 1whb h ARG 109 Ca -0.05 0.03 0.13 0.00 -1.10 0.00 0.00 59.98 58.98 1whb h ARG 109 Cb 1.18 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.82 1whb h ARG 109 CO 0.09 -0.06 0.36 0.66 2.80 0.00 0.00 179.97 183.81 1whb h SER 110 N -0.69 0.11 0.12 -3.80 4.64 -0.78 0.38 113.55 113.53 1whb h SER 110 Ca -0.04 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.02 1whb h SER 110 Cb 0.48 -0.02 0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1whb h SER 110 CO 0.06 0.06 -1.09 0.25 -0.87 0.00 0.00 176.83 175.25 1whb h LEU 111 N 0.12 0.76 -0.86 5.97 5.85 -1.28 -2.60 115.31 123.27 1whb h LEU 111 Ca 0.24 -0.84 -0.12 0.00 0.84 0.00 0.00 57.88 58.00 1whb h LEU 111 Cb 0.80 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1whb h LEU 111 CO -0.03 1.53 -0.45 0.50 -0.34 0.00 0.00 178.44 179.65 1whb h LYS 112 N 0.10 0.27 0.00 1.25 3.11 0.43 -2.75 116.57 118.98 1whb h LYS 112 Ca -0.17 -0.14 -0.04 0.00 -2.81 0.00 0.00 60.65 57.49 1whb h LYS 112 Cb 1.80 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.02 1whb h LYS 112 CO 0.21 0.67 -0.20 -0.44 -2.81 0.00 0.00 179.45 176.88 1whb h ASP 113 N 0.22 0.00 -0.41 4.20 3.32 -0.37 -3.08 116.42 120.30 1whb h ASP 113 Ca 0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1whb h ASP 113 Cb 0.88 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 1whb h ASP 113 CO 0.07 0.20 0.00 0.00 -1.72 0.00 0.00 179.24 177.79 1whb n ALA 114 N -2.16 3.51 -0.00 3.45 0.00 -0.98 -0.87 120.51 123.44 1whb n ALA 114 Ca 0.02 -1.37 -0.01 0.00 0.00 0.00 0.00 53.44 52.09 1whb n ALA 114 Cb 0.54 -1.09 -0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 0.43 2.91 -0.00 0.00 4.77 -1.16 -2.76 117.00 121.19 1whb n LEU 115 Ca 0.20 -0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.17 1whb n LEU 115 Cb 0.93 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1whb n LEU 115 CO 0.23 0.50 -0.53 0.33 -1.33 0.00 0.00 177.39 176.59 1whb n PHE 116 N -2.54 0.00 0.14 -1.77 -0.00 -1.23 -4.74 117.46 107.32 1whb n PHE 116 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.30 1whb n PHE 116 Cb 0.51 -0.03 -0.06 0.00 -0.00 0.00 0.00 39.48 39.89 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 -0.02 -0.40 -4.10 -4.13 3.64 -1.72 -3.33 116.57 106.52 1whb h LYS 117 Ca -0.02 0.03 -0.77 0.00 -1.27 0.00 0.00 60.65 58.62 1whb h LYS 117 Cb 1.02 0.09 -0.24 0.00 -0.41 0.00 0.00 32.23 32.69 1whb h LYS 117 CO -0.01 -0.26 0.32 -1.58 -2.27 0.00 0.00 179.45 175.64 1whb s TRP 118 N -6.11 3.66 0.46 1.91 0.23 -0.05 -5.03 118.94 114.01 1whb s TRP 118 Ca -0.15 -1.92 0.01 0.00 -2.03 0.00 0.00 56.10 52.01 1whb s TRP 118 Cb 0.07 -3.93 0.00 0.00 0.03 0.00 0.00 33.47 29.63 1whb s TRP 118 CO 0.65 -1.11 0.67 -2.00 0.96 0.00 0.00 176.95 176.13 1whb s GLU 119 N 0.64 2.99 0.00 4.98 2.12 -1.25 -3.97 118.70 124.20 1whb s GLU 119 Ca 0.23 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.99 1whb s GLU 119 Cb -0.09 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.74 1whb s GLU 119 CO -0.09 -0.32 0.00 0.43 -0.54 0.00 0.00 175.26 174.74 1whb n SER 120 N -2.09 0.00 0.00 -1.70 7.64 -1.26 -4.99 113.62 111.22 1whb n SER 120 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1whb n SER 120 Cb 0.58 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 1whb n SER 120 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1whb n LYS 121 N -2.18 0.00 -2.93 1.43 2.85 -1.26 -5.11 118.16 110.97 1whb n LYS 121 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 1whb n LYS 121 Cb 0.00 -0.08 -0.06 0.00 -0.65 0.00 0.00 35.03 34.24 1whb n LYS 121 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1whb s THR 122 N -1.71 4.35 0.05 0.58 2.01 -1.26 -5.07 115.64 114.60 1whb s THR 122 Ca 0.00 1.79 0.05 0.00 0.31 0.00 0.00 61.69 63.83 1whb s THR 122 Cb 0.00 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1whb s THR 122 CO 0.00 0.49 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.60 1whb s VAL 123 N -0.99 1.08 0.16 3.82 1.01 -1.26 -4.92 120.40 119.31 1whb s VAL 123 Ca 0.37 -1.12 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1whb s VAL 123 Cb -0.23 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1whb s VAL 123 CO 0.27 -0.10 0.03 -0.76 0.00 0.00 0.00 175.10 174.54 1whb s LEU 124 N -1.39 3.43 0.05 3.92 1.43 -1.26 -4.41 118.68 120.45 1whb s LEU 124 Ca -0.00 -0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 52.60 1whb s LEU 124 Cb -0.09 -2.09 -0.13 0.00 0.03 0.00 0.00 46.19 43.91 1whb s LEU 124 CO 0.02 0.10 1.34 0.03 0.23 0.00 0.00 176.35 178.06 1whb h ARG 125 N 2.75 0.48 -5.40 1.70 2.47 -1.83 -3.46 114.38 111.08 1whb h ARG 125 Ca -0.47 -0.27 -0.51 0.00 -1.26 0.00 0.00 59.98 57.47 1whb h ARG 125 Cb 1.20 0.02 -0.14 0.00 -1.65 0.00 0.00 29.97 29.40 1whb h ARG 125 CO 0.59 0.86 -0.63 -0.80 0.56 0.00 0.00 179.97 180.56 1whb s ASN 126 N -6.33 2.78 0.01 7.04 0.01 -1.24 -5.10 114.94 112.11 1whb s ASN 126 Ca -0.13 -1.31 -0.30 0.00 -0.71 0.00 0.00 52.86 50.40 1whb s ASN 126 Cb 0.06 -0.17 -0.05 0.00 0.41 0.00 0.00 41.25 41.50 1whb s ASN 126 CO 0.79 -0.49 1.25 -1.61 -1.51 0.00 0.00 177.10 175.53 1whb s GLU 127 N -3.80 4.37 -0.20 -0.60 2.02 -1.26 -4.82 118.70 114.41 1whb s GLU 127 Ca 0.34 1.80 -0.35 0.00 0.02 0.00 0.00 54.97 56.78 1whb s GLU 127 Cb 0.07 -3.45 -0.11 0.00 0.10 0.00 0.00 34.13 30.73 1whb s GLU 127 CO 0.15 -0.39 1.99 -2.30 0.02 0.00 0.00 175.26 174.72 1whb n PRO 128 N 4.62 1.70 -2.71 0.39 -0.02 -1.26 -4.81 135.00 132.91 1whb n PRO 128 Ca 0.11 0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 61.95 1whb n PRO 128 Cb 0.46 -2.58 0.07 0.00 -0.02 0.00 0.00 33.50 31.42 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 5.39 3.16 -0.01 2.45 1.02 -1.04 -4.87 118.68 124.78 1whb s LEU 129 Ca 0.99 -0.31 0.04 0.00 0.02 0.00 0.00 54.13 54.87 1whb s LEU 129 Cb -0.76 -2.32 -0.01 0.00 0.02 0.00 0.00 46.19 43.13 1whb s LEU 129 CO 0.51 -1.42 -0.14 0.54 0.02 0.00 0.00 176.35 175.86 1whb s VAL 130 N -2.86 1.12 0.56 -1.59 0.11 -1.00 -1.48 120.40 115.26 1whb s VAL 130 Ca 0.61 -0.60 -0.21 0.00 -2.93 0.00 0.00 61.98 58.85 1whb s VAL 130 Cb -0.08 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1whb s VAL 130 CO 0.40 0.32 1.33 -0.11 -3.33 0.00 0.00 175.10 173.71 1whb n LEU 131 N 2.79 5.49 -4.57 2.54 7.94 -1.02 -0.70 117.00 129.46 1whb n LEU 131 Ca -0.15 0.95 -0.41 0.00 -1.11 0.00 0.00 56.01 55.29 1whb n LEU 131 Cb 0.55 -1.56 -0.03 0.00 0.53 0.00 0.00 43.42 42.91 1whb n LEU 131 CO 0.24 -0.72 1.44 -0.70 -1.11 0.00 0.00 177.39 176.55 1whb s GLU 132 N -2.94 3.07 0.00 1.96 2.12 0.18 -3.08 118.70 120.01 1whb s GLU 132 Ca 0.73 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.79 1whb s GLU 132 Cb -0.41 -4.24 0.00 0.00 0.26 0.00 0.00 34.13 29.74 1whb s GLU 132 CO 0.48 -2.21 0.00 0.41 -0.54 0.00 0.00 175.26 173.40 1whb n GLY 133 N 5.45 2.86 0.57 -1.50 0.00 -1.25 -4.63 105.19 106.70 1whb n GLY 133 Ca 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.01 0.28 -0.02 0.00 -1.18 -3.90 105.19 100.38 1whb n GLY 134 Ca 0.00 -1.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 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 0.85 -0.44 1.61 3.20 0.44 -1.13 116.97 121.50 1whb h TYR 135 Ca 0.00 -0.15 0.03 0.00 3.14 0.00 0.00 58.73 61.75 1whb h TYR 135 Cb 0.00 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 1whb h TYR 135 CO 0.00 0.83 0.29 1.49 -1.64 0.00 0.00 178.16 179.14 1whb h GLU 136 N 0.71 0.48 0.03 1.82 4.57 -1.75 -1.94 114.58 118.51 1whb h GLU 136 Ca 0.12 -0.03 -0.27 0.00 -1.18 0.00 0.00 59.36 58.01 1whb h GLU 136 Cb 0.56 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 1whb h GLU 136 CO 0.03 0.32 -1.42 -0.91 -1.18 0.00 0.00 179.01 175.85 1whb h ASN 137 N 0.50 0.09 -0.11 1.04 4.21 -1.68 -3.29 115.58 116.33 1whb h ASN 137 Ca 0.18 -0.13 -0.02 0.00 1.21 0.00 0.00 56.30 57.53 1whb h ASN 137 Cb 0.09 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 1whb h ASN 137 CO -0.04 1.11 0.02 -0.25 -1.29 0.00 0.00 177.43 176.98 1whb h TRP 138 N 0.02 0.27 -0.02 1.19 2.91 -0.48 -1.97 115.95 117.86 1whb h TRP 138 Ca -0.18 -0.01 -0.19 0.00 1.13 0.00 0.00 58.89 59.64 1whb h TRP 138 Cb 1.93 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 30.48 1whb h TRP 138 CO 0.01 0.27 -0.81 -0.07 -1.03 0.00 0.00 178.44 176.82 1whb h LEU 139 N 0.27 0.33 -0.99 0.65 3.38 -1.51 0.19 115.31 117.63 1whb h LEU 139 Ca 0.07 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 1whb h LEU 139 Cb 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1whb h LEU 139 CO 0.00 1.01 -0.48 -0.07 0.09 0.00 0.00 178.44 178.99 1whb h LEU 140 N 0.17 0.07 0.00 1.67 3.38 -1.45 -2.45 115.31 116.69 1whb h LEU 140 Ca -0.04 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1whb h LEU 140 Cb 1.40 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1whb h LEU 140 CO 0.13 0.53 -0.87 0.00 0.09 0.00 0.00 178.44 178.33 1whb n TYR 142 N -4.53 1.62 0.40 0.00 4.01 0.65 -4.93 117.16 114.38 1whb n TYR 142 Ca -0.18 -3.91 0.13 0.00 -0.16 0.00 0.00 57.90 53.79 1whb n TYR 142 Cb 0.44 -0.29 0.50 0.00 -0.31 0.00 0.00 39.34 39.69 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 5.36 0.00 -1.01 -0.72 0.13 -1.54 -3.03 132.00 131.20 1whb h PRO 143 Ca 0.19 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.87 1whb h PRO 143 Cb 0.81 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.67 1whb h PRO 143 CO 0.59 0.00 0.58 0.00 -0.23 0.00 0.00 178.00 178.94 1whb n GLN 144 N -2.49 2.10 -1.28 0.86 10.64 -1.26 -4.15 117.38 121.80 1whb n GLN 144 Ca 0.02 -2.60 0.03 0.00 -1.83 0.00 0.00 57.00 52.63 1whb n GLN 144 Cb 0.30 -2.02 0.09 0.00 -0.86 0.00 0.00 30.24 27.75 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 -0.88 0.18 -4.10 2.61 9.36 -1.14 -5.07 117.16 118.11 1whb n TYR 145 Ca 0.52 -1.01 -0.12 0.00 3.32 0.00 0.00 57.90 60.61 1whb n TYR 145 Cb 1.44 -0.20 -0.11 0.00 -0.63 0.00 0.00 39.34 39.84 1whb n TYR 145 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1whb s THR 146 N -1.53 0.57 0.28 2.97 -4.23 -1.26 -3.38 115.64 109.07 1whb s THR 146 Ca 0.36 -1.41 0.04 0.00 -1.18 0.00 0.00 61.69 59.49 1whb s THR 146 Cb 0.38 -1.02 0.04 0.00 1.34 0.00 0.00 72.50 73.23 1whb s THR 146 CO -0.12 -0.59 1.69 0.71 -0.54 0.00 0.00 174.62 175.77 1whb h THR 147 N 3.89 1.30 0.00 3.99 1.35 -1.77 -3.37 112.91 118.30 1whb h THR 147 Ca -0.35 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 1whb h THR 147 Cb 1.19 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1whb h THR 147 CO 0.50 0.45 -0.53 -3.20 -0.25 0.00 0.00 175.52 172.49 1whb n ASN 148 N -4.05 1.16 -2.43 5.36 2.85 -1.26 -4.99 115.26 111.90 1whb n ASN 148 Ca -0.01 0.27 -0.20 0.00 -0.11 0.00 0.00 54.58 54.52 1whb n ASN 148 Cb 0.47 -0.66 0.00 0.00 1.24 0.00 0.00 39.78 40.82 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 -3.54 -0.67 -3.27 5.20 0.00 -1.26 -4.95 120.51 112.02 1whb n ALA 149 Ca -0.07 0.19 -0.06 0.00 0.00 0.00 0.00 53.44 53.49 1whb n ALA 149 Cb 0.28 -2.50 -0.04 0.00 0.00 0.00 0.00 19.45 17.19 1whb n ALA 149 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1whb s LYS 150 N -5.15 0.48 0.00 0.00 1.02 -1.26 -5.00 119.74 109.84 1whb s LYS 150 Ca 0.06 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.20 1whb s LYS 150 Cb -0.03 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.10 1whb s LYS 150 CO 0.08 -1.06 0.00 1.33 -0.92 0.00 0.00 175.35 174.78 1whb n VAL 151 N 5.26 0.00 -3.37 3.17 0.24 -1.26 -5.01 118.33 117.36 1whb n VAL 151 Ca 0.03 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.13 1whb n VAL 151 Cb 0.51 -0.27 0.06 0.00 -1.47 0.00 0.00 33.84 32.67 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 -2.13 -5.65 0.00 -1.34 7.64 -1.26 -4.75 113.62 106.13 1whb n SER 152 Ca 0.00 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.45 1whb n SER 152 Cb 0.00 -4.28 0.00 0.00 -1.01 0.00 0.00 64.21 58.92 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 -1.73 -2.55 3.66 0.23 0.00 -1.26 -4.93 105.19 98.61 1whb n GLY 153 Ca -0.00 -1.86 -0.50 0.00 0.00 0.00 0.00 46.02 43.65 1whb n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whb n PRO 154 N -0.15 1.72 -5.03 1.61 -0.02 -1.26 -4.98 135.00 126.89 1whb n PRO 154 Ca 0.00 0.62 -0.28 0.00 -2.02 0.00 0.00 63.50 61.82 1whb n PRO 154 Cb 0.00 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 30.95 1whb n PRO 154 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1whb s SER 155 N 2.09 2.56 -0.20 2.55 0.15 -1.26 -4.94 113.70 114.65 1whb s SER 155 Ca 0.87 -0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.99 1whb s SER 155 Cb -0.82 -0.65 0.04 0.00 -1.71 0.00 0.00 66.02 62.88 1whb s SER 155 CO 0.49 0.20 0.22 -1.20 1.20 0.00 0.00 173.24 174.15 1whb n SER 156 N 2.99 -1.18 0.00 5.45 7.64 -1.26 -5.15 113.62 122.11 1whb n SER 156 Ca -0.17 1.33 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1whb n SER 156 Cb 0.52 -5.19 0.00 0.00 -1.01 0.00 0.00 64.21 58.54 1whb n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64