#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 6.44 0.58 1.61 0.01 -1.26 -5.08 113.70 116.00 1whb s SER 2 Ca 0.00 0.51 -0.11 0.00 1.31 0.00 0.00 55.95 57.66 1whb s SER 2 Cb 0.00 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 64.02 1whb s SER 2 CO 0.00 0.16 0.99 -0.94 0.41 0.00 0.00 173.24 173.87 1whb s SER 3 N 0.16 6.31 -0.31 2.44 1.04 -1.26 -5.07 113.70 117.00 1whb s SER 3 Ca 0.16 1.39 0.02 0.00 0.48 0.00 0.00 55.95 58.01 1whb s SER 3 Cb -0.13 -2.45 0.16 0.00 0.10 0.00 0.00 66.02 63.70 1whb s SER 3 CO 0.04 -0.78 0.41 -0.83 0.98 0.00 0.00 173.24 173.06 1whb s GLY 4 N -3.96 -0.51 -0.04 7.32 0.00 -1.26 -4.98 107.32 103.88 1whb s GLY 4 Ca 0.55 -0.01 0.23 0.00 0.00 0.00 0.00 44.72 45.49 1whb s GLY 4 CO 0.49 3.02 1.15 -1.26 0.00 0.00 0.00 173.10 176.50 1whb n SER 5 N 5.11 0.85 0.10 1.64 2.88 -1.26 -4.88 113.62 118.06 1whb n SER 5 Ca 0.03 -2.01 0.03 0.00 -1.33 0.00 0.00 58.87 55.59 1whb n SER 5 Cb 0.49 -0.25 0.40 0.00 -0.75 0.00 0.00 64.21 64.09 1whb n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1whb h SER 6 N 1.13 0.27 0.00 -3.46 0.87 -2.02 -3.47 113.55 106.88 1whb h SER 6 Ca -0.25 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1whb h SER 6 Cb 1.76 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 1whb h SER 6 CO 0.07 0.38 0.00 0.61 -0.53 0.00 0.00 176.83 177.36 1whb n GLY 7 N -0.97 2.06 0.06 5.77 0.00 -1.26 -4.29 105.19 106.55 1whb n GLY 7 Ca -0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 1whb n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whb n LYS 8 N 0.00 1.97 -3.12 1.61 5.02 -1.26 -5.05 118.16 117.33 1whb n LYS 8 Ca 0.00 -0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 1whb n LYS 8 Cb 0.00 -1.31 0.07 0.00 -0.02 0.00 0.00 35.03 33.76 1whb n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1whb n GLU 10 N -3.17 -2.78 0.00 0.00 -0.58 -1.26 -4.99 120.64 107.86 1whb n GLU 10 Ca -0.09 1.84 0.00 0.00 -0.42 0.00 0.00 57.16 58.50 1whb n GLU 10 Cb 0.61 -3.39 0.00 0.00 -0.57 0.00 0.00 31.44 28.09 1whb n GLU 10 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1whb n THR 11 N -4.10 0.00 0.19 2.62 -2.24 -1.26 -4.90 114.28 104.60 1whb n THR 11 Ca 0.01 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.97 1whb n THR 11 Cb 0.63 -0.04 0.80 0.00 -2.10 0.00 0.00 70.33 69.62 1whb n THR 11 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1whb h LYS 12 N 0.00 0.00 -1.61 -0.78 3.64 -2.01 -3.47 116.57 112.33 1whb h LYS 12 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1whb h LYS 12 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1whb h LYS 12 CO 0.00 0.00 -0.45 -1.91 -2.27 0.00 0.00 179.45 174.82 1whb n GLU 13 N -3.47 -1.74 -3.48 1.90 2.13 -1.26 -4.99 120.64 109.73 1whb n GLU 13 Ca 0.03 1.36 -0.23 0.00 0.66 0.00 0.00 57.16 58.98 1whb n GLU 13 Cb 0.48 -1.74 -0.13 0.00 0.27 0.00 0.00 31.44 30.32 1whb n GLU 13 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1whb s LYS 14 N -4.42 0.24 0.00 5.31 -2.85 -1.26 -4.87 119.74 111.89 1whb s LYS 14 Ca 0.00 -0.30 0.00 0.00 -1.00 0.00 0.00 55.97 54.67 1whb s LYS 14 Cb 0.00 -0.99 0.00 0.00 -2.06 0.00 0.00 37.83 34.78 1whb s LYS 14 CO 0.00 -0.98 0.00 0.41 0.10 0.00 0.00 175.35 174.88 1whb n GLY 15 N 5.28 1.09 3.58 0.59 0.00 -1.26 -5.10 105.19 109.36 1whb n GLY 15 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 3.09 -0.12 4.61 0.00 -1.26 -2.04 121.76 126.04 1whb s ALA 16 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1whb s ALA 16 Cb 0.00 -1.46 0.02 0.00 0.00 0.00 0.00 23.12 21.68 1whb s ALA 16 CO 0.00 0.42 -0.13 -1.50 0.00 0.00 0.00 175.76 174.55 1whb s ILE 17 N -0.30 1.38 0.76 0.00 2.07 -0.81 -4.89 121.20 119.40 1whb s ILE 17 Ca 0.05 -0.55 -0.11 0.00 -1.41 0.00 0.00 60.65 58.64 1whb s ILE 17 Cb -0.12 -1.30 0.05 0.00 0.13 0.00 0.00 42.46 41.21 1whb s ILE 17 CO 0.02 0.42 1.08 0.42 -1.91 0.00 0.00 174.94 174.97 1whb s THR 18 N 1.27 3.52 0.47 4.00 -4.23 -1.26 -1.48 115.64 117.92 1whb s THR 18 Ca -0.01 0.49 0.12 0.00 -1.18 0.00 0.00 61.69 61.11 1whb s THR 18 Cb -0.14 -3.12 0.27 0.00 1.34 0.00 0.00 72.50 70.85 1whb s THR 18 CO -0.05 -0.65 2.11 0.00 -0.54 0.00 0.00 174.62 175.49 1whb h ALA 19 N -0.99 1.89 -0.43 3.99 0.00 -1.96 -2.11 119.26 119.64 1whb h ALA 19 Ca -0.45 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1whb h ALA 19 Cb 1.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1whb h ALA 19 CO 0.55 0.10 0.03 -0.22 0.00 0.00 0.00 179.25 179.71 1whb h LYS 20 N 0.24 0.74 -0.39 0.00 1.63 -2.00 -2.55 116.57 114.24 1whb h LYS 20 Ca 0.07 -0.22 -0.00 0.00 -0.85 0.00 0.00 60.65 59.65 1whb h LYS 20 Cb 0.00 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1whb h LYS 20 CO -0.02 0.80 0.23 0.93 -3.45 0.00 0.00 179.45 177.94 1whb h GLU 21 N 0.59 0.53 -0.35 1.90 5.08 -1.75 -2.05 114.58 118.53 1whb h GLU 21 Ca 0.13 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 1whb h GLU 21 Cb 0.44 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1whb h GLU 21 CO 0.02 0.38 -0.16 1.25 -1.00 0.00 0.00 179.01 179.50 1whb h LEU 22 N 0.54 0.74 -0.28 1.33 5.85 -1.27 -2.03 115.31 120.19 1whb h LEU 22 Ca 0.14 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1whb h LEU 22 Cb -0.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1whb h LEU 22 CO -0.03 0.98 0.16 0.22 -0.34 0.00 0.00 178.44 179.43 1whb h TYR 23 N 0.50 0.38 -0.02 1.25 3.20 -1.02 0.54 116.97 121.81 1whb h TYR 23 Ca 0.08 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1whb h TYR 23 Cb 0.70 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1whb h TYR 23 CO 0.06 0.31 0.01 1.15 -1.64 0.00 0.00 178.16 178.05 1whb h THR 24 N 0.34 1.02 -0.21 1.81 2.02 -1.37 -1.25 112.91 115.27 1whb h THR 24 Ca 0.10 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.14 1whb h THR 24 Cb 0.05 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1whb h THR 24 CO -0.02 0.01 -0.30 0.24 0.37 0.00 0.00 175.52 175.83 1whb h MET 25 N 0.01 0.41 -0.55 6.66 2.86 -1.25 -2.83 114.93 120.24 1whb h MET 25 Ca 0.01 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.43 1whb h MET 25 Cb 0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1whb h MET 25 CO -0.00 0.67 0.13 0.52 1.06 0.00 0.00 176.91 179.29 1whb h MET 26 N 0.36 0.85 -1.01 1.72 2.07 0.43 -2.41 114.93 116.93 1whb h MET 26 Ca 0.05 -0.17 -0.52 0.00 -2.07 0.00 0.00 59.70 56.98 1whb h MET 26 Cb 0.71 -0.13 -0.29 0.00 -1.87 0.00 0.00 31.60 30.02 1whb h MET 26 CO 0.05 0.76 0.67 0.25 1.07 0.00 0.00 176.91 179.71 1whb n THR 27 N -4.27 3.18 -4.60 2.22 -2.24 -0.50 -4.89 114.28 103.18 1whb n THR 27 Ca 0.04 -2.01 -0.29 0.00 -2.27 0.00 0.00 64.05 59.52 1whb n THR 27 Cb 0.23 -0.64 -0.17 0.00 -2.10 0.00 0.00 70.33 67.65 1whb n THR 27 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1whb s ASP 28 N -1.26 2.47 -0.08 3.42 -1.08 -0.91 -5.01 116.67 114.22 1whb s ASP 28 Ca 0.55 -0.44 0.10 0.00 -0.52 0.00 0.00 52.55 52.25 1whb s ASP 28 Cb 0.46 -1.12 -0.24 0.00 -1.46 0.00 0.00 42.92 40.57 1whb s ASP 28 CO 0.08 0.04 0.52 2.29 0.52 0.00 0.00 175.17 178.62 1whb n LYS 29 N 4.04 0.66 0.10 4.34 2.85 -1.26 -4.11 118.16 124.77 1whb n LYS 29 Ca -0.20 0.25 0.01 0.00 -1.05 0.00 0.00 58.31 57.32 1whb n LYS 29 Cb 0.52 -1.74 0.35 0.00 -0.65 0.00 0.00 35.03 33.51 1whb n LYS 29 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1whb h ASN 30 N 0.01 0.27 -3.48 -5.58 2.35 -1.96 -3.43 115.58 103.77 1whb h ASN 30 Ca -0.35 -0.06 -0.66 0.00 -0.55 0.00 0.00 56.30 54.68 1whb h ASN 30 Cb 2.05 -0.07 -0.14 0.00 0.05 0.00 0.00 38.32 40.20 1whb h ASN 30 CO 0.07 0.45 -0.70 -0.63 -1.65 0.00 0.00 177.43 174.98 1whb s ILE 31 N -4.66 3.73 0.31 2.81 1.01 -1.26 -5.13 121.20 118.01 1whb s ILE 31 Ca -0.06 -1.02 0.07 0.00 0.00 0.00 0.00 60.65 59.65 1whb s ILE 31 Cb 0.15 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 1whb s ILE 31 CO 0.74 0.19 0.30 -0.44 0.00 0.00 0.00 174.94 175.74 1whb s SER 32 N -2.04 5.49 -0.28 3.58 0.01 -1.26 -4.77 113.70 114.42 1whb s SER 32 Ca 0.22 -0.37 -0.26 0.00 1.31 0.00 0.00 55.95 56.84 1whb s SER 32 Cb -0.11 -1.14 0.17 0.00 0.21 0.00 0.00 66.02 65.15 1whb s SER 32 CO 0.14 -0.29 1.31 -0.22 0.41 0.00 0.00 173.24 174.59 1whb s LEU 33 N -3.99 -0.15 -0.01 2.44 2.96 -1.26 -3.45 118.68 115.22 1whb s LEU 33 Ca 0.40 0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.61 1whb s LEU 33 Cb -0.07 1.32 -0.01 0.00 0.50 0.00 0.00 46.19 47.92 1whb s LEU 33 CO 0.27 -0.08 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.45 1whb s ILE 34 N -0.29 1.13 0.16 6.68 1.01 -1.17 -4.99 121.20 123.73 1whb s ILE 34 Ca 0.06 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.15 1whb s ILE 34 Cb -0.04 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1whb s ILE 34 CO -0.11 0.31 0.07 -0.63 0.00 0.00 0.00 174.94 174.59 1whb s ILE 35 N -0.35 4.15 0.00 2.92 1.01 -1.26 0.52 121.20 128.20 1whb s ILE 35 Ca 0.05 -1.20 -0.08 0.00 0.00 0.00 0.00 60.65 59.43 1whb s ILE 35 Cb -0.06 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.33 1whb s ILE 35 CO -0.01 -0.08 0.15 -0.04 0.00 0.00 0.00 174.94 174.96 1whb s MET 36 N -2.95 0.50 -0.30 2.79 -1.94 -0.37 0.10 119.30 117.13 1whb s MET 36 Ca 0.29 -0.40 0.03 0.00 -1.71 0.00 0.00 55.69 53.90 1whb s MET 36 Cb -0.10 0.21 0.08 0.00 2.01 0.00 0.00 34.83 37.03 1whb s MET 36 CO 0.21 -0.12 -0.03 -0.51 -0.01 0.00 0.00 175.02 174.56 1whb s ASP 37 N -1.41 4.58 -0.86 3.03 1.11 -0.82 -0.23 116.67 122.07 1whb s ASP 37 Ca -0.15 -1.77 -0.14 0.00 0.18 0.00 0.00 52.55 50.67 1whb s ASP 37 Cb -0.07 -1.57 0.21 0.00 1.07 0.00 0.00 42.92 42.56 1whb s ASP 37 CO 0.02 -0.29 0.83 0.00 1.18 0.00 0.00 175.17 176.91 1whb s ALA 38 N 1.02 4.05 0.27 5.23 0.00 -1.16 -3.04 121.76 128.12 1whb s ALA 38 Ca 0.01 -3.30 0.00 0.00 0.00 0.00 0.00 51.96 48.67 1whb s ALA 38 Cb -0.19 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1whb s ALA 38 CO -0.07 -2.35 0.00 0.54 0.00 0.00 0.00 175.76 173.88 1whb n ARG 39 N 4.18 0.00 -3.64 0.00 3.00 -1.26 -4.72 116.66 114.22 1whb n ARG 39 Ca 0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.97 1whb n ARG 39 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.90 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 -1.80 0.09 0.44 5.56 6.06 -1.26 -4.19 118.95 123.84 1whb s ARG 40 Ca 0.00 -0.01 0.13 0.00 -2.50 0.00 0.00 55.73 53.35 1whb s ARG 40 Cb 0.00 0.04 0.96 0.00 0.06 0.00 0.00 34.95 36.01 1whb s ARG 40 CO 0.00 -0.03 1.99 1.98 -2.50 0.00 0.00 175.30 176.73 1whb h MET 41 N 2.03 0.09 0.00 5.12 4.05 -1.90 -2.42 114.93 121.90 1whb h MET 41 Ca -0.05 -0.02 -0.23 0.00 -0.28 0.00 0.00 59.70 59.12 1whb h MET 41 Cb 1.15 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.95 1whb h MET 41 CO 0.21 0.23 -0.96 1.96 0.23 0.00 0.00 176.91 178.57 1whb h GLN 42 N 0.09 0.46 -0.49 0.39 7.50 -1.95 -3.25 115.11 117.85 1whb h GLN 42 Ca 0.02 -0.50 0.00 0.00 0.50 0.00 0.00 58.65 58.67 1whb h GLN 42 Cb 0.29 0.14 -0.02 0.00 0.05 0.00 0.00 27.48 27.94 1whb h GLN 42 CO 0.02 1.15 0.32 0.22 -1.50 0.00 0.00 178.83 179.04 1whb h ASP 43 N 0.26 0.57 -0.21 1.46 3.58 -1.72 -1.71 116.42 118.66 1whb h ASP 43 Ca -0.09 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.38 1whb h ASP 43 Cb 1.60 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.50 1whb h ASP 43 CO 0.17 0.42 0.14 0.22 -2.88 0.00 0.00 179.24 177.32 1whb h TYR 44 N 0.67 0.08 0.01 0.28 3.20 -1.55 0.58 116.97 120.24 1whb h TYR 44 Ca 0.18 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.84 1whb h TYR 44 Cb -0.07 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1whb h TYR 44 CO -0.04 0.05 -0.93 1.96 -1.64 0.00 0.00 178.16 177.56 1whb h GLN 45 N 0.08 0.27 0.00 1.82 4.20 -1.38 -3.37 115.11 116.74 1whb h GLN 45 Ca 0.09 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 1whb h GLN 45 Cb 0.27 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1whb h GLN 45 CO -0.01 1.02 -0.17 -0.44 -0.67 0.00 0.00 178.83 178.56 1whb h ASP 46 N 0.15 0.00 -4.28 1.46 5.19 -0.43 -3.48 116.42 115.03 1whb h ASP 46 Ca -0.06 -0.15 -0.44 0.00 -0.62 0.00 0.00 57.03 55.76 1whb h ASP 46 Cb 1.57 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.82 1whb h ASP 46 CO 0.15 0.66 -0.79 -0.44 -3.12 0.00 0.00 179.24 175.70 1whb s SER 47 N -5.73 1.55 -0.24 6.45 0.01 0.19 -4.72 113.70 111.21 1whb s SER 47 Ca -0.07 -0.39 -0.35 0.00 1.31 0.00 0.00 55.95 56.46 1whb s SER 47 Cb 0.00 -0.12 0.16 0.00 0.21 0.00 0.00 66.02 66.27 1whb s SER 47 CO 0.16 0.06 1.28 0.00 0.41 0.00 0.00 173.24 175.15 1whb s ILE 49 N -1.94 3.28 0.05 0.00 -1.09 -1.26 -2.19 121.20 118.05 1whb s ILE 49 Ca 0.09 0.45 -0.25 0.00 -2.23 0.00 0.00 60.65 58.72 1whb s ILE 49 Cb -0.01 -2.94 -0.17 0.00 -1.58 0.00 0.00 42.46 37.76 1whb s ILE 49 CO -0.04 -0.51 1.54 -0.07 -1.23 0.00 0.00 174.94 174.63 1whb h LEU 50 N -0.89 -0.12 -6.97 2.97 3.38 -1.86 -3.37 115.31 108.44 1whb h LEU 50 Ca -0.44 -0.14 -0.62 0.00 0.09 0.00 0.00 57.88 56.77 1whb h LEU 50 Cb 1.24 0.03 -0.42 0.00 0.09 0.00 0.00 40.66 41.60 1whb h LEU 50 CO 0.52 0.07 -0.62 1.41 0.09 0.00 0.00 178.44 179.91 1whb n HIS 51 N -5.08 2.82 -4.06 1.13 8.25 -1.26 -4.97 115.22 112.05 1whb n HIS 51 Ca -0.08 -4.20 -0.10 0.00 -0.26 0.00 0.00 57.72 53.07 1whb n HIS 51 Cb 0.15 -0.53 -0.07 0.00 1.12 0.00 0.00 29.99 30.66 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 -1.35 0.04 0.38 0.41 1.04 -1.26 -4.67 113.70 108.29 1whb s SER 52 Ca 0.26 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 55.62 1whb s SER 52 Cb -0.02 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1whb s SER 52 CO -0.17 -0.97 0.59 -0.22 0.98 0.00 0.00 173.24 173.45 1whb s LEU 53 N -3.05 3.89 -0.01 2.42 2.96 0.28 -4.95 118.68 120.22 1whb s LEU 53 Ca 0.27 0.37 0.06 0.00 -0.22 0.00 0.00 54.13 54.60 1whb s LEU 53 Cb 0.03 -3.24 -0.01 0.00 0.50 0.00 0.00 46.19 43.47 1whb s LEU 53 CO 0.08 -0.43 -0.19 -0.94 -1.32 0.00 0.00 176.35 173.55 1whb s SER 54 N -4.10 2.18 -0.11 3.68 1.04 -1.26 -1.95 113.70 113.18 1whb s SER 54 Ca 0.43 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 1whb s SER 54 Cb -0.10 -0.24 0.05 0.00 0.10 0.00 0.00 66.02 65.83 1whb s SER 54 CO 0.36 0.22 0.23 0.54 0.98 0.00 0.00 173.24 175.58 1whb s VAL 55 N -0.45 -0.17 0.33 5.02 0.11 -1.17 -4.65 120.40 119.43 1whb s VAL 55 Ca 0.07 0.21 -0.28 0.00 -2.93 0.00 0.00 61.98 59.05 1whb s VAL 55 Cb -0.07 -0.38 -0.10 0.00 -1.53 0.00 0.00 36.38 34.31 1whb s VAL 55 CO -0.01 0.09 1.20 -2.16 -3.33 0.00 0.00 175.10 170.89 1whb s PRO 56 N 1.69 4.36 0.25 1.54 0.04 -1.26 -4.08 135.00 137.54 1whb s PRO 56 Ca -0.05 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.05 1whb s PRO 56 Cb -0.11 -3.00 0.27 0.00 0.04 0.00 0.00 34.50 31.70 1whb s PRO 56 CO -0.08 -0.09 1.57 1.49 0.04 0.00 0.00 177.00 179.92 1whb h GLU 57 N 3.31 0.09 -0.15 4.56 4.81 -1.88 -3.03 114.58 122.29 1whb h GLU 57 Ca -0.48 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.63 1whb h GLU 57 Cb 1.22 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1whb h GLU 57 CO 0.65 0.71 -0.14 1.49 -0.73 0.00 0.00 179.01 180.99 1whb h GLU 58 N 0.06 0.24 -0.01 1.92 4.22 -1.92 -2.48 114.58 116.62 1whb h GLU 58 Ca -0.01 -0.06 -0.18 0.00 0.08 0.00 0.00 59.36 59.20 1whb h GLU 58 Cb 1.15 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1whb h GLU 58 CO 0.09 0.39 -0.79 0.00 -2.18 0.00 0.00 179.01 176.52 1whb h ALA 59 N 1.64 0.65 -2.54 2.92 0.00 -1.87 -3.43 119.26 116.61 1whb h ALA 59 Ca 0.05 -0.68 -0.55 0.00 0.00 0.00 0.00 54.91 53.73 1whb h ALA 59 Cb 0.39 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1whb h ALA 59 CO 0.02 0.88 0.24 0.42 0.00 0.00 0.00 179.25 180.81 1whb s ILE 60 N -3.34 4.96 0.14 0.00 1.01 -0.93 -4.67 121.20 118.35 1whb s ILE 60 Ca -0.02 1.74 0.05 0.00 0.00 0.00 0.00 60.65 62.41 1whb s ILE 60 Cb 0.11 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1whb s ILE 60 CO 0.81 0.19 -0.12 -0.44 0.00 0.00 0.00 174.94 175.39 1whb s SER 61 N 0.92 1.85 -0.50 3.58 0.01 -1.26 -4.92 113.70 113.38 1whb s SER 61 Ca 0.44 -0.92 -0.27 0.00 1.31 0.00 0.00 55.95 56.51 1whb s SER 61 Cb -0.19 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 1whb s SER 61 CO 0.22 -0.25 1.88 -2.16 0.41 0.00 0.00 173.24 173.33 1whb s PRO 62 N -3.27 2.85 0.00 12.44 0.04 -1.26 -3.50 135.00 142.30 1whb s PRO 62 Ca 0.13 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1whb s PRO 62 Cb -0.01 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1whb s PRO 62 CO 0.02 -2.45 0.00 0.41 0.04 0.00 0.00 177.00 175.02 1whb n GLY 63 N 5.61 0.88 3.60 0.56 0.00 -1.26 -5.05 105.19 109.53 1whb n GLY 63 Ca 0.23 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.22 0.86 0.39 1.61 -7.23 -1.23 -5.14 120.40 107.45 1whb s VAL 64 Ca 0.00 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1whb s VAL 64 Cb 0.00 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 1whb s VAL 64 CO 0.00 0.00 0.12 0.28 -0.31 0.00 0.00 175.10 175.19 1whb s THR 65 N -3.08 2.42 0.49 5.32 -1.32 -1.26 -4.15 115.64 114.06 1whb s THR 65 Ca 0.18 -1.78 0.14 0.00 -1.21 0.00 0.00 61.69 59.02 1whb s THR 65 Cb 0.03 -2.95 0.28 0.00 -1.51 0.00 0.00 72.50 68.34 1whb s THR 65 CO 0.11 -0.06 2.11 0.00 -2.21 0.00 0.00 174.62 174.57 1whb h ALA 66 N 1.55 1.95 -0.11 11.08 0.00 -1.40 -1.08 119.26 131.26 1whb h ALA 66 Ca -0.43 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1whb h ALA 66 Cb 1.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1whb h ALA 66 CO 0.70 0.03 -0.16 0.77 0.00 0.00 0.00 179.25 180.59 1whb h SER 67 N 0.16 0.16 0.44 0.00 0.02 -1.92 0.10 113.55 112.52 1whb h SER 67 Ca 0.06 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1whb h SER 67 Cb 0.06 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1whb h SER 67 CO -0.01 0.34 -0.21 -0.25 -1.14 0.00 0.00 176.83 175.56 1whb h TRP 68 N 0.16 -0.55 -0.21 3.45 2.91 -1.58 -1.79 115.95 118.35 1whb h TRP 68 Ca 0.03 -0.01 -0.14 0.00 1.13 0.00 0.00 58.89 59.90 1whb h TRP 68 Cb 0.38 0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.21 1whb h TRP 68 CO 0.00 -0.26 -0.45 0.82 -1.03 0.00 0.00 178.44 177.52 1whb h ILE 69 N -0.76 1.31 -0.15 2.65 5.03 -1.54 -2.90 117.51 121.16 1whb h ILE 69 Ca -0.06 -1.65 -0.01 0.00 -0.12 0.00 0.00 64.86 63.02 1whb h ILE 69 Cb 0.53 1.65 -0.01 0.00 -3.03 0.00 0.00 36.82 35.96 1whb h ILE 69 CO 0.10 0.51 0.06 -0.08 -0.68 0.00 0.00 178.15 178.06 1whb h GLU 70 N 0.42 0.20 0.01 2.37 4.81 -0.75 -1.76 114.58 119.88 1whb h GLU 70 Ca 0.03 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.04 1whb h GLU 70 Cb 0.96 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 1whb h GLU 70 CO 0.08 0.17 -0.92 0.00 -0.73 0.00 0.00 179.01 177.62 1whb h ALA 71 N 1.87 0.49 -3.15 2.92 0.00 -1.13 -3.39 119.26 116.87 1whb h ALA 71 Ca 0.05 -0.79 -0.66 0.00 0.00 0.00 0.00 54.91 53.51 1whb h ALA 71 Cb 0.04 -0.11 -0.39 0.00 0.00 0.00 0.00 17.79 17.33 1whb h ALA 71 CO -0.01 1.05 -0.47 -1.01 0.00 0.00 0.00 179.25 178.82 1whb s HIS 72 N -3.01 3.48 0.11 0.00 3.76 -0.66 -5.05 115.29 113.92 1whb s HIS 72 Ca -0.01 -3.12 -0.20 0.00 -0.15 0.00 0.00 55.06 51.58 1whb s HIS 72 Cb 0.10 -2.93 0.05 0.00 1.11 0.00 0.00 32.58 30.91 1whb s HIS 72 CO 0.82 -0.69 0.49 -0.51 -0.85 0.00 0.00 174.74 174.00 1whb s LEU 73 N -0.84 -0.01 0.78 0.89 1.43 -1.22 -4.76 118.68 114.95 1whb s LEU 73 Ca 0.22 -0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 1whb s LEU 73 Cb -0.14 2.14 0.02 0.00 0.03 0.00 0.00 46.19 48.24 1whb s LEU 73 CO -0.08 -0.84 0.87 -2.65 0.23 0.00 0.00 176.35 173.87 1whb n PRO 74 N -0.08 0.26 -0.17 1.29 -0.02 -1.26 -4.76 135.00 130.26 1whb n PRO 74 Ca -0.17 0.15 -0.08 0.00 -2.02 0.00 0.00 63.50 61.38 1whb n PRO 74 Cb 0.63 -2.15 0.07 0.00 -0.02 0.00 0.00 33.50 32.03 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 -0.65 0.95 1.05 2.55 1.82 -1.99 0.48 116.42 120.63 1whb h ASP 75 Ca -0.46 -0.28 -0.18 0.00 -0.39 0.00 0.00 57.03 55.72 1whb h ASP 75 Cb 1.32 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 41.05 1whb h ASP 75 CO 0.44 1.03 -0.87 -0.78 -1.61 0.00 0.00 179.24 177.45 1whb h ASP 76 N 0.88 0.00 1.04 2.28 1.82 -2.01 -3.26 116.42 117.17 1whb h ASP 76 Ca 0.15 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.62 1whb h ASP 76 Cb 0.57 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.56 1whb h ASP 76 CO 0.03 0.87 -0.84 -1.28 -1.61 0.00 0.00 179.24 176.41 1whb h SER 77 N 0.00 0.00 -0.69 2.28 0.87 -1.86 -3.26 113.55 110.89 1whb h SER 77 Ca -0.01 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1whb h SER 77 Cb 1.63 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.55 1whb h SER 77 CO 0.11 0.84 0.45 0.11 -0.53 0.00 0.00 176.83 177.82 1whb h LYS 78 N 0.00 0.73 0.98 2.24 1.57 -0.94 0.15 116.57 121.30 1whb h LYS 78 Ca -0.01 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1whb h LYS 78 Cb 1.59 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 33.75 1whb h LYS 78 CO 0.11 0.48 -0.47 0.22 -0.57 0.00 0.00 179.45 179.22 1whb h ASP 79 N 0.76 -1.12 0.31 0.86 3.58 -1.68 -2.54 116.42 116.59 1whb h ASP 79 Ca 0.29 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.74 1whb h ASP 79 Cb 0.19 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1whb h ASP 79 CO -0.09 -0.80 -0.19 0.74 -2.88 0.00 0.00 179.24 176.02 1whb h THR 80 N -1.32 0.91 0.62 2.25 2.02 -1.66 -3.07 112.91 112.66 1whb h THR 80 Ca -0.13 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.30 1whb h THR 80 Cb 1.01 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1whb h THR 80 CO 0.22 0.19 -0.45 -0.25 0.37 0.00 0.00 175.52 175.60 1whb h TRP 81 N 0.00 -1.21 0.00 3.16 2.91 -0.46 -1.89 115.95 118.46 1whb h TRP 81 Ca -0.00 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1whb h TRP 81 Cb 0.40 0.45 0.00 0.00 -0.51 0.00 0.00 29.16 29.50 1whb h TRP 81 CO 0.00 -0.64 0.00 0.87 -1.03 0.00 0.00 178.44 177.64 1whb h LYS 82 N -1.02 0.00 -0.02 2.65 1.57 -1.43 0.19 116.57 118.51 1whb h LYS 82 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1whb h LYS 82 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1whb h LYS 82 CO 0.04 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.55 1whb n LYS 83 N -3.06 1.17 0.29 3.15 5.02 -0.73 -3.80 118.16 120.20 1whb n LYS 83 Ca -0.03 -0.25 0.14 0.00 -2.02 0.00 0.00 58.31 56.16 1whb n LYS 83 Cb 0.07 -1.40 0.89 0.00 -0.02 0.00 0.00 35.03 34.57 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 0.55 0.00 -0.29 1.97 0.11 -0.74 -0.15 114.38 115.82 1whb h ARG 84 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1whb h ARG 84 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 1whb h ARG 84 CO 0.00 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.48 1whb n GLY 85 N -1.35 0.35 0.13 0.08 0.00 -1.25 -3.91 105.19 99.24 1whb n GLY 85 Ca -0.03 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 0.33 2.32 -3.53 1.61 2.85 -0.07 -4.84 115.26 113.93 1whb n ASN 86 Ca 0.09 -0.06 -0.31 0.00 -0.11 0.00 0.00 54.58 54.20 1whb n ASN 86 Cb 0.24 -0.36 0.27 0.00 1.24 0.00 0.00 39.78 41.17 1whb n ASN 86 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1whb s VAL 87 N -2.40 1.38 -0.12 3.44 -7.23 -1.22 -5.01 120.40 109.24 1whb s VAL 87 Ca -0.28 0.00 0.10 0.00 -1.81 0.00 0.00 61.98 59.99 1whb s VAL 87 Cb 0.08 -2.36 -0.15 0.00 0.56 0.00 0.00 36.38 34.52 1whb s VAL 87 CO 0.45 0.00 0.02 1.21 -0.31 0.00 0.00 175.10 176.48 1whb n GLU 88 N -5.15 1.85 -4.35 4.82 2.13 -1.26 -4.58 120.64 114.10 1whb n GLU 88 Ca 0.15 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.79 1whb n GLU 88 Cb 0.60 -1.31 -0.10 0.00 0.27 0.00 0.00 31.44 30.90 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 -2.30 1.64 -0.01 4.31 2.02 -1.22 -3.79 117.35 118.00 1whb s TYR 89 Ca -0.08 -1.11 -0.14 0.00 -0.37 0.00 0.00 57.07 55.37 1whb s TYR 89 Cb 0.04 -1.00 0.02 0.00 -0.40 0.00 0.00 41.96 40.62 1whb s TYR 89 CO 0.48 -0.23 0.30 0.08 -1.57 0.00 0.00 175.55 174.62 1whb s VAL 90 N -3.62 0.06 0.04 0.71 1.01 -1.26 -3.05 120.40 114.29 1whb s VAL 90 Ca 0.37 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1whb s VAL 90 Cb 0.08 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1whb s VAL 90 CO 0.14 -0.28 -0.11 -0.69 0.00 0.00 0.00 175.10 174.16 1whb s VAL 91 N -1.50 0.85 0.39 2.92 1.01 0.18 -1.72 120.40 122.54 1whb s VAL 91 Ca -0.12 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 60.99 1whb s VAL 91 Cb -0.05 -0.80 -0.07 0.00 0.00 0.00 0.00 36.38 35.46 1whb s VAL 91 CO 0.03 -0.11 0.02 -0.76 0.00 0.00 0.00 175.10 174.28 1whb s LEU 92 N -1.18 2.90 0.08 3.92 1.43 0.17 -1.24 118.68 124.75 1whb s LEU 92 Ca -0.02 -1.27 0.01 0.00 -1.03 0.00 0.00 54.13 51.82 1whb s LEU 92 Cb -0.08 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 1whb s LEU 92 CO 0.01 -0.41 -0.06 -0.76 0.23 0.00 0.00 176.35 175.36 1whb s LEU 93 N -3.72 2.47 0.28 1.79 1.43 0.68 -1.14 118.68 120.48 1whb s LEU 93 Ca 0.35 -0.94 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 1whb s LEU 93 Cb 0.07 -0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.28 1whb s LEU 93 CO 0.19 -0.46 0.73 1.51 0.23 0.00 0.00 176.35 178.55 1whb s ASP 94 N -2.82 -0.25 -0.13 2.29 1.47 -1.26 -3.00 116.67 112.97 1whb s ASP 94 Ca 0.08 -0.63 -0.14 0.00 1.18 0.00 0.00 52.55 53.04 1whb s ASP 94 Cb 0.04 0.73 -0.12 0.00 -0.34 0.00 0.00 42.92 43.23 1whb s ASP 94 CO -0.05 -1.36 0.30 -0.50 0.68 0.00 0.00 175.17 174.24 1whb h TRP 95 N 2.00 0.00 -1.61 2.11 -0.00 -1.86 0.92 115.95 117.50 1whb h TRP 95 Ca -0.20 0.00 -0.40 0.00 -0.00 0.00 0.00 58.89 58.29 1whb h TRP 95 Cb 1.25 0.00 -0.28 0.00 -0.00 0.00 0.00 29.16 30.13 1whb h TRP 95 CO 0.47 0.52 -0.78 1.19 -0.00 0.00 0.00 178.44 179.84 1whb n PHE 96 N -4.67 -2.10 -3.62 0.49 3.72 -1.26 -4.21 117.46 105.80 1whb n PHE 96 Ca -0.07 -2.52 -0.05 0.00 -0.05 0.00 0.00 57.45 54.76 1whb n PHE 96 Cb 0.27 0.74 -0.02 0.00 -0.94 0.00 0.00 39.48 39.53 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 -0.01 -0.23 0.28 4.37 1.04 -1.25 -5.13 113.70 112.78 1whb s SER 97 Ca 0.32 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.59 1whb s SER 97 Cb 0.06 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 1whb s SER 97 CO -0.14 -0.65 0.29 -0.44 0.98 0.00 0.00 173.24 173.28 1whb s SER 98 N -2.69 0.89 0.46 7.02 0.01 -1.26 -4.05 113.70 114.08 1whb s SER 98 Ca 0.09 -1.52 0.14 0.00 1.31 0.00 0.00 55.95 55.98 1whb s SER 98 Cb -0.00 0.53 1.08 0.00 0.21 0.00 0.00 66.02 67.84 1whb s SER 98 CO -0.04 -1.05 2.05 0.00 0.41 0.00 0.00 173.24 174.61 1whb h ALA 99 N 2.29 1.98 0.00 1.44 0.00 -1.87 -0.69 119.26 122.41 1whb h ALA 99 Ca -0.29 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1whb h ALA 99 Cb 1.24 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1whb h ALA 99 CO 0.42 -0.04 -0.86 0.87 0.00 0.00 0.00 179.25 179.64 1whb h LYS 100 N 0.30 0.00 0.00 0.00 1.57 -1.97 -3.18 116.57 113.29 1whb h LYS 100 Ca 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1whb h LYS 100 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1whb h LYS 100 CO -0.03 0.86 -0.03 0.22 -0.57 0.00 0.00 179.45 179.90 1whb h ASP 101 N 0.00 0.00 -3.31 0.86 3.58 -1.54 -3.45 116.42 112.56 1whb h ASP 101 Ca -0.01 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.87 1whb h ASP 101 Cb 1.60 0.00 0.12 0.00 1.72 0.00 0.00 39.33 42.77 1whb h ASP 101 CO 0.11 0.03 0.39 0.18 -2.88 0.00 0.00 179.24 177.07 1whb n LEU 102 N -3.12 3.44 -3.90 2.28 4.77 -0.73 -4.90 117.00 114.85 1whb n LEU 102 Ca 0.02 1.11 -0.08 0.00 -0.03 0.00 0.00 56.01 57.03 1whb n LEU 102 Cb 0.43 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.06 1whb n LEU 102 CO 0.31 -0.88 0.39 -1.10 -1.33 0.00 0.00 177.39 174.78 1whb s GLN 103 N -2.06 1.82 -0.73 3.23 -0.21 -1.26 -5.06 119.66 115.39 1whb s GLN 103 Ca 0.60 -1.19 -0.26 0.00 0.02 0.00 0.00 55.36 54.54 1whb s GLN 103 Cb -0.54 0.57 -0.13 0.00 1.00 0.00 0.00 33.01 33.91 1whb s GLN 103 CO 0.58 -0.82 2.42 0.96 -2.12 0.00 0.00 175.29 176.31 1whb s ILE 104 N -3.59 3.00 0.00 1.08 -4.36 -1.26 -2.77 121.20 113.31 1whb s ILE 104 Ca 0.16 -0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.55 1whb s ILE 104 Cb -0.04 -3.01 0.00 0.00 1.25 0.00 0.00 42.46 40.66 1whb s ILE 104 CO 0.09 -0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.88 1whb n GLY 105 N 6.65 0.53 3.23 6.27 0.00 -1.26 -5.14 105.19 115.47 1whb n GLY 105 Ca 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.85 1.06 0.18 2.61 -4.23 -1.11 -5.05 115.64 108.24 1whb s THR 106 Ca 0.00 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 1whb s THR 106 Cb 0.00 -1.76 -0.14 0.00 1.34 0.00 0.00 72.50 71.94 1whb s THR 106 CO 0.00 -0.75 1.41 0.74 -0.54 0.00 0.00 174.62 175.48 1whb h THR 107 N 2.91 1.59 -0.02 3.99 2.02 -1.93 -2.80 112.91 118.68 1whb h THR 107 Ca -0.36 -2.85 -0.03 0.00 0.77 0.00 0.00 66.41 63.94 1whb h THR 107 Cb 1.19 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 1whb h THR 107 CO 0.62 0.82 -0.12 -0.07 0.37 0.00 0.00 175.52 177.14 1whb h LEU 108 N 0.02 0.14 0.31 2.58 3.38 -1.95 -2.06 115.31 117.72 1whb h LEU 108 Ca -0.02 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.25 1whb h LEU 108 Cb 1.50 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1whb h LEU 108 CO 0.11 0.81 -0.16 -0.09 0.09 0.00 0.00 178.44 179.20 1whb h ARG 109 N -0.52 -0.42 -0.48 1.13 2.43 -1.88 0.10 114.38 114.75 1whb h ARG 109 Ca -0.01 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1whb h ARG 109 Cb 0.81 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 1whb h ARG 109 CO 0.03 -0.28 0.29 0.66 -1.51 0.00 0.00 179.97 179.16 1whb h SER 110 N -0.43 0.57 0.55 -3.80 4.64 -1.61 0.64 113.55 114.11 1whb h SER 110 Ca -0.04 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.12 1whb h SER 110 Cb 0.34 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1whb h SER 110 CO 0.05 0.44 -0.61 0.25 -0.87 0.00 0.00 176.83 176.09 1whb h LEU 111 N 0.66 0.06 0.01 5.97 5.85 -0.97 -0.64 115.31 126.25 1whb h LEU 111 Ca 0.18 -0.04 -0.22 0.00 0.84 0.00 0.00 57.88 58.64 1whb h LEU 111 Cb -0.03 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1whb h LEU 111 CO -0.03 0.66 -1.09 0.50 -0.34 0.00 0.00 178.44 178.14 1whb h LYS 112 N 0.04 0.02 0.00 1.25 3.64 0.18 -3.28 116.57 118.42 1whb h LYS 112 Ca -0.01 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1whb h LYS 112 Cb 1.09 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1whb h LYS 112 CO 0.08 0.96 -0.59 -0.44 -2.27 0.00 0.00 179.45 177.20 1whb h ASP 113 N 0.00 0.00 -0.40 4.20 5.19 -0.83 -3.23 116.42 121.35 1whb h ASP 113 Ca -0.05 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1whb h ASP 113 Cb 1.81 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.31 1whb h ASP 113 CO 0.13 0.13 0.01 0.00 -3.12 0.00 0.00 179.24 176.38 1whb n ALA 114 N -2.18 3.48 0.00 3.45 0.00 -0.25 -1.12 120.51 123.89 1whb n ALA 114 Ca 0.01 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1whb n ALA 114 Cb 0.60 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.42 1.18 -0.08 0.00 4.77 -1.24 -1.43 117.00 120.62 1whb n LEU 115 Ca 0.19 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.00 1whb n LEU 115 Cb 0.91 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.95 1whb n LEU 115 CO 0.23 0.13 -1.02 0.33 -1.33 0.00 0.00 177.39 175.72 1whb n PHE 116 N -2.32 0.00 0.10 -1.77 -0.00 -1.22 -4.78 117.46 107.48 1whb n PHE 116 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.39 1whb n PHE 116 Cb 0.29 -0.58 -0.03 0.00 -0.00 0.00 0.00 39.48 39.16 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 -0.61 -0.31 -6.20 -4.13 3.64 -1.72 -3.38 116.57 103.86 1whb h LYS 117 Ca -0.39 0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 58.42 1whb h LYS 117 Cb 1.30 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 33.09 1whb h LYS 117 CO -0.24 -0.21 0.71 -1.58 -2.27 0.00 0.00 179.45 175.86 1whb s TRP 118 N -3.86 2.77 0.10 1.91 0.52 -0.28 -5.00 118.94 115.10 1whb s TRP 118 Ca -0.05 0.26 0.00 0.00 0.02 0.00 0.00 56.10 56.32 1whb s TRP 118 Cb 0.01 -4.20 -0.04 0.00 -1.15 0.00 0.00 33.47 28.09 1whb s TRP 118 CO 0.18 -1.35 -0.02 -1.21 0.02 0.00 0.00 176.95 174.57 1whb s GLU 119 N 4.22 0.80 -0.05 4.98 0.41 -1.26 -4.12 118.70 123.67 1whb s GLU 119 Ca 0.37 -1.34 0.02 0.00 -0.41 0.00 0.00 54.97 53.61 1whb s GLU 119 Cb -0.10 0.04 0.07 0.00 -1.78 0.00 0.00 34.13 32.35 1whb s GLU 119 CO 0.24 -0.12 0.59 0.45 -0.49 0.00 0.00 175.26 175.93 1whb n SER 120 N -0.02 -0.30 0.00 -0.19 2.88 -1.26 -5.00 113.62 109.73 1whb n SER 120 Ca -0.11 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.39 1whb n SER 120 Cb 0.62 0.13 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1whb n SER 120 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1whb n LYS 121 N -0.25 0.00 -4.50 -1.46 3.00 -1.26 -5.15 118.16 108.54 1whb n LYS 121 Ca -0.05 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.03 1whb n LYS 121 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.44 1whb n LYS 121 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1whb s THR 122 N -1.49 1.67 -0.03 3.15 2.01 -1.26 -5.16 115.64 114.53 1whb s THR 122 Ca 0.00 -2.07 -0.02 0.00 0.31 0.00 0.00 61.69 59.91 1whb s THR 122 Cb 0.00 -2.71 0.01 0.00 0.01 0.00 0.00 72.50 69.81 1whb s THR 122 CO 0.00 -0.12 0.07 -0.69 -0.69 0.00 0.00 174.62 173.19 1whb s VAL 123 N -2.97 -0.01 -0.17 3.82 1.01 -1.26 -4.89 120.40 115.93 1whb s VAL 123 Ca 0.33 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 1whb s VAL 123 Cb 0.07 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.29 1whb s VAL 123 CO 0.15 0.01 0.20 -0.76 0.00 0.00 0.00 175.10 174.70 1whb s LEU 124 N 0.16 4.25 0.28 3.92 1.43 -1.26 -4.69 118.68 122.77 1whb s LEU 124 Ca -0.01 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1whb s LEU 124 Cb -0.02 -2.21 0.57 0.00 0.03 0.00 0.00 46.19 44.56 1whb s LEU 124 CO -0.00 0.18 1.82 -0.09 0.23 0.00 0.00 176.35 178.48 1whb h ARG 125 N 6.43 0.90 -4.65 1.70 9.65 -1.83 -3.43 114.38 123.15 1whb h ARG 125 Ca -0.43 -0.05 -0.24 0.00 -1.10 0.00 0.00 59.98 58.16 1whb h ARG 125 Cb 1.17 -0.20 -0.15 0.00 -1.39 0.00 0.00 29.97 29.40 1whb h ARG 125 CO 0.74 0.59 -0.67 -0.80 2.80 0.00 0.00 179.97 182.63 1whb s ASN 126 N -5.62 1.00 0.21 -3.80 0.01 -1.25 -5.10 114.94 100.39 1whb s ASN 126 Ca -0.12 -1.11 -0.30 0.00 -0.71 0.00 0.00 52.86 50.63 1whb s ASN 126 Cb 0.22 0.14 -0.08 0.00 0.41 0.00 0.00 41.25 41.94 1whb s ASN 126 CO 0.80 -0.56 1.04 -1.61 -1.51 0.00 0.00 177.10 175.26 1whb s GLU 127 N -3.91 4.69 0.42 -0.60 2.02 -1.26 -4.90 118.70 115.16 1whb s GLU 127 Ca 0.18 1.64 -0.24 0.00 0.02 0.00 0.00 54.97 56.57 1whb s GLU 127 Cb 0.06 -3.27 -0.10 0.00 0.10 0.00 0.00 34.13 30.92 1whb s GLU 127 CO -0.00 0.25 1.05 -2.30 0.02 0.00 0.00 175.26 174.27 1whb n PRO 128 N 1.89 1.42 -4.39 0.39 -0.02 -1.26 -4.75 135.00 128.28 1whb n PRO 128 Ca 0.00 0.51 -0.25 0.00 -2.02 0.00 0.00 63.50 61.74 1whb n PRO 128 Cb 0.46 -2.09 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 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 -0.74 2.76 -0.09 2.45 1.43 -0.70 -4.79 118.68 119.00 1whb s LEU 129 Ca 0.63 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1whb s LEU 129 Cb -0.55 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1whb s LEU 129 CO 0.57 0.06 -0.14 0.54 0.23 0.00 0.00 176.35 177.61 1whb s VAL 130 N -2.11 2.98 0.63 -1.59 0.11 -0.87 0.42 120.40 119.97 1whb s VAL 130 Ca 0.27 -0.72 -0.18 0.00 -2.93 0.00 0.00 61.98 58.42 1whb s VAL 130 Cb -0.07 -2.20 -0.02 0.00 -1.53 0.00 0.00 36.38 32.56 1whb s VAL 130 CO 0.15 0.56 1.29 -0.22 -3.33 0.00 0.00 175.10 173.55 1whb s LEU 131 N -0.20 3.61 -0.49 2.54 2.96 -0.29 -1.92 118.68 124.90 1whb s LEU 131 Ca 0.00 2.60 -0.28 0.00 -0.22 0.00 0.00 54.13 56.24 1whb s LEU 131 Cb -0.13 -4.59 -0.00 0.00 0.50 0.00 0.00 46.19 41.97 1whb s LEU 131 CO 0.03 -1.91 1.63 -0.70 -1.32 0.00 0.00 176.35 174.09 1whb s GLU 132 N -3.33 3.18 0.00 1.98 2.12 -0.55 -3.13 118.70 118.97 1whb s GLU 132 Ca 0.81 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.97 1whb s GLU 132 Cb -0.37 -4.20 0.00 0.00 0.26 0.00 0.00 34.13 29.83 1whb s GLU 132 CO 0.39 -2.06 0.00 0.41 -0.54 0.00 0.00 175.26 173.46 1whb n GLY 133 N 5.39 2.91 0.00 -1.50 0.00 -1.26 -4.75 105.19 105.98 1whb n GLY 133 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.23 0.26 -0.02 0.00 -1.18 -3.93 105.19 100.09 1whb n GLY 134 Ca 0.00 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 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 1.13 -0.56 1.61 3.20 0.60 -2.16 116.97 120.79 1whb h TYR 135 Ca 0.00 -0.36 0.07 0.00 3.14 0.00 0.00 58.73 61.57 1whb h TYR 135 Cb 0.00 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 1whb h TYR 135 CO 0.00 1.20 0.37 1.49 -1.64 0.00 0.00 178.16 179.58 1whb h GLU 136 N 0.73 0.47 0.04 1.82 4.57 -1.73 -1.29 114.58 119.19 1whb h GLU 136 Ca 0.04 -0.03 -0.24 0.00 -1.18 0.00 0.00 59.36 57.95 1whb h GLU 136 Cb 1.05 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.51 1whb h GLU 136 CO 0.11 0.31 -1.18 -0.97 -1.18 0.00 0.00 179.01 176.10 1whb h ASN 137 N 0.49 0.12 0.08 1.04 -0.00 -1.73 -3.24 115.58 112.33 1whb h ASN 137 Ca 0.24 -0.14 -0.04 0.00 -0.00 0.00 0.00 56.30 56.36 1whb h ASN 137 Cb 0.33 -0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.61 1whb h ASN 137 CO -0.07 1.11 -0.14 -0.25 -0.00 0.00 0.00 177.43 178.08 1whb h TRP 138 N 0.02 0.15 -0.12 0.67 2.91 -0.58 -0.67 115.95 118.33 1whb h TRP 138 Ca -0.09 -0.01 -0.18 0.00 1.13 0.00 0.00 58.89 59.74 1whb h TRP 138 Cb 1.86 -0.04 0.01 0.00 -0.51 0.00 0.00 29.16 30.48 1whb h TRP 138 CO 0.02 0.29 -0.62 -0.07 -1.03 0.00 0.00 178.44 177.02 1whb h LEU 139 N 0.14 0.76 -0.91 0.65 3.38 -1.46 0.79 115.31 118.67 1whb h LEU 139 Ca 0.03 -0.64 -0.11 0.00 0.09 0.00 0.00 57.88 57.24 1whb h LEU 139 Cb 0.34 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1whb h LEU 139 CO 0.02 1.28 -0.49 -0.07 0.09 0.00 0.00 178.44 179.27 1whb h LEU 140 N 0.29 0.15 0.02 1.67 3.38 -1.52 -1.30 115.31 118.01 1whb h LEU 140 Ca -0.04 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.64 1whb h LEU 140 Cb 1.26 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1whb h LEU 140 CO 0.13 0.62 -1.15 0.00 0.09 0.00 0.00 178.44 178.12 1whb n TYR 142 N -4.33 0.65 0.19 0.00 4.01 0.28 -4.94 117.16 113.02 1whb n TYR 142 Ca -0.28 -3.68 0.05 0.00 -0.16 0.00 0.00 57.90 53.83 1whb n TYR 142 Cb 0.70 -0.16 0.36 0.00 -0.31 0.00 0.00 39.34 39.94 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 5.08 0.00 -1.90 -0.72 0.13 -1.28 -3.22 132.00 130.09 1whb h PRO 143 Ca 0.19 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.78 1whb h PRO 143 Cb 0.84 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.77 1whb h PRO 143 CO 0.52 0.37 0.56 0.00 -0.23 0.00 0.00 178.00 179.23 1whb n GLN 144 N -3.65 2.43 -1.49 0.86 10.64 -1.26 -4.04 117.38 120.87 1whb n GLN 144 Ca -0.01 -2.56 -0.04 0.00 -1.83 0.00 0.00 57.00 52.56 1whb n GLN 144 Cb 0.48 -2.12 -0.01 0.00 -0.86 0.00 0.00 30.24 27.72 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 0.43 -0.31 -4.14 2.61 9.36 -1.22 -5.13 117.16 118.76 1whb n TYR 145 Ca 0.49 -0.81 -0.11 0.00 3.32 0.00 0.00 57.90 60.79 1whb n TYR 145 Cb 0.49 0.54 -0.09 0.00 -0.63 0.00 0.00 39.34 39.65 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 -0.18 0.01 0.11 2.97 -4.23 -1.26 -3.97 115.64 109.09 1whb s THR 146 Ca 0.09 -1.85 -0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1whb s THR 146 Cb 0.17 -2.38 -0.23 0.00 1.34 0.00 0.00 72.50 71.40 1whb s THR 146 CO -0.06 -0.04 1.24 0.71 -0.54 0.00 0.00 174.62 175.93 1whb h THR 147 N 2.56 1.54 -3.17 3.99 1.35 -1.68 -3.43 112.91 114.07 1whb h THR 147 Ca -0.34 -3.01 -0.56 0.00 -0.55 0.00 0.00 66.41 61.96 1whb h THR 147 Cb 1.25 2.78 -0.40 0.00 -1.73 0.00 0.00 68.15 70.04 1whb h THR 147 CO 0.49 0.87 -0.76 0.21 -0.25 0.00 0.00 175.52 176.09 1whb s ASN 148 N -6.99 3.67 -0.38 5.36 2.47 -1.26 -4.99 114.94 112.82 1whb s ASN 148 Ca -0.03 -1.36 0.05 0.00 0.42 0.00 0.00 52.86 51.95 1whb s ASN 148 Cb 0.09 -0.76 0.46 0.00 -1.45 0.00 0.00 41.25 39.59 1whb s ASN 148 CO 0.85 -0.38 1.40 0.00 -3.72 0.00 0.00 177.10 175.25 1whb n ALA 149 N 4.93 5.33 -2.49 1.71 0.00 -1.26 -4.65 120.51 124.08 1whb n ALA 149 Ca -0.05 -3.71 -0.09 0.00 0.00 0.00 0.00 53.44 49.59 1whb n ALA 149 Cb 0.44 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.77 2.45 -3.46 0.00 5.02 -1.26 -5.06 118.16 115.08 1whb n LYS 150 Ca 0.48 -3.74 -0.23 0.00 -2.02 0.00 0.00 58.31 52.80 1whb n LYS 150 Cb 0.90 -1.84 0.03 0.00 -0.02 0.00 0.00 35.03 34.10 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 -4.04 1.80 -0.05 -0.18 -7.23 -1.26 -5.06 120.40 104.38 1whb s VAL 151 Ca 0.37 -1.24 0.24 0.00 -1.81 0.00 0.00 61.98 59.54 1whb s VAL 151 Cb 0.36 -2.04 0.44 0.00 0.56 0.00 0.00 36.38 35.69 1whb s VAL 151 CO -0.01 0.00 1.17 -1.54 -0.31 0.00 0.00 175.10 174.41 1whb n SER 152 N -2.05 1.18 0.00 4.85 3.41 -1.26 -5.13 113.62 114.61 1whb n SER 152 Ca 0.08 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 1whb n SER 152 Cb 0.63 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.22 -1.81 3.65 5.00 0.00 -1.26 -5.03 105.19 105.95 1whb n GLY 153 Ca 0.08 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.26 -0.27 0.00 1.61 0.04 -1.26 -5.03 135.00 129.83 1whb s PRO 154 Ca 0.00 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1whb s PRO 154 Cb 0.00 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1whb s PRO 154 CO 0.00 -3.14 0.00 0.45 0.04 0.00 0.00 177.00 174.35 1whb n SER 155 N -4.42 0.18 0.01 6.66 2.88 -1.26 -5.04 113.62 112.62 1whb n SER 155 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1whb n SER 155 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1whb n SER 155 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1whb n SER 156 N -2.32 -0.05 0.00 -3.46 7.64 -1.26 -5.31 113.62 108.86 1whb n SER 156 Ca 0.00 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1whb n SER 156 Cb 0.08 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1whb n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64